USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 97 HIS : no HD1:sc=-0.000886 X(o=-0.00089,f=-0.0099) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0 X(o=-0.00089,f=0) USER MOD Set 2.1: A 26 ASN : amide:sc= 0.0851 K(o=0.11,f=-0.46) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.0297 K(o=0.11,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0488 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 50:sc= 0.248 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00393 (180deg=-0.11) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0813 K(o=-0.081,f=-6.1!) USER MOD Single : A 46 ASN : amide:sc= 0.159 K(o=0.16,f=-3.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.3) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 67 ASN : amide:sc= -0.733 K(o=-0.73,f=-6.7!) USER MOD Single : A 70 ASN : amide:sc= 0.71 K(o=0.71,f=-5.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000938 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0881 USER MOD Single : A 79 GLN : amide:sc= -0.355 K(o=-0.35,f=-3.2!) USER MOD Single : A 93 HIS : no HE2:sc= 0.676 K(o=0.68,f=-2.2!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.298 43.335 6.544 1.00 0.00 N ATOM 2 CA GLY A 1 -40.746 43.108 5.182 1.00 0.00 C ATOM 3 C GLY A 1 -40.939 41.690 4.680 1.00 0.00 C ATOM 4 O GLY A 1 -41.700 40.919 5.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.938 44.155 6.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.824 42.492 6.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.519 43.518 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.221 43.799 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.681 43.342 5.186 1.00 0.00 H new ATOM 10 N ASP A 2 -40.273 41.350 3.562 1.00 0.00 N ATOM 11 CA ASP A 2 -40.311 39.997 2.983 1.00 0.00 C ATOM 12 C ASP A 2 -39.002 39.270 3.288 1.00 0.00 C ATOM 13 O ASP A 2 -37.941 39.647 2.767 1.00 0.00 O ATOM 14 CB ASP A 2 -40.553 40.062 1.452 1.00 0.00 C ATOM 15 CG ASP A 2 -41.914 40.681 1.095 1.00 0.00 C ATOM 16 OD1 ASP A 2 -42.958 40.020 1.318 1.00 0.00 O ATOM 17 OD2 ASP A 2 -41.952 41.838 0.622 1.00 0.00 O ATOM 0 H ASP A 2 -39.694 42.005 3.036 1.00 0.00 H new ATOM 0 HA ASP A 2 -41.137 39.445 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -39.759 40.646 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -40.495 39.056 1.036 1.00 0.00 H new ATOM 22 N ARG A 3 -39.073 38.250 4.161 1.00 0.00 N ATOM 23 CA ARG A 3 -37.938 37.374 4.457 1.00 0.00 C ATOM 24 C ARG A 3 -37.810 36.321 3.340 1.00 0.00 C ATOM 25 O ARG A 3 -38.477 35.281 3.378 1.00 0.00 O ATOM 26 CB ARG A 3 -38.112 36.715 5.848 1.00 0.00 C ATOM 27 CG ARG A 3 -38.044 37.717 7.021 1.00 0.00 C ATOM 28 CD ARG A 3 -38.213 37.052 8.392 1.00 0.00 C ATOM 29 NE ARG A 3 -37.933 38.008 9.487 1.00 0.00 N ATOM 30 CZ ARG A 3 -38.515 38.013 10.699 1.00 0.00 C ATOM 31 NH1 ARG A 3 -39.535 37.218 10.979 1.00 0.00 N ATOM 32 NH2 ARG A 3 -38.066 38.831 11.634 1.00 0.00 N ATOM 0 H ARG A 3 -39.920 38.014 4.678 1.00 0.00 H new ATOM 0 HA ARG A 3 -37.018 37.958 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -39.071 36.198 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -37.338 35.959 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -37.086 38.237 6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -38.820 38.471 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -39.229 36.669 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -37.541 36.198 8.470 1.00 0.00 H new ATOM 0 HE ARG A 3 -37.235 38.729 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -39.897 36.583 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -39.960 37.240 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -37.283 39.453 11.434 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -38.502 38.840 12.556 1.00 0.00 H new ATOM 46 N ARG A 4 -36.998 36.654 2.314 1.00 0.00 N ATOM 47 CA ARG A 4 -36.764 35.797 1.141 1.00 0.00 C ATOM 48 C ARG A 4 -36.046 34.503 1.576 1.00 0.00 C ATOM 49 O ARG A 4 -34.814 34.465 1.704 1.00 0.00 O ATOM 50 CB ARG A 4 -35.956 36.574 0.058 1.00 0.00 C ATOM 51 CG ARG A 4 -36.627 37.896 -0.395 1.00 0.00 C ATOM 52 CD ARG A 4 -35.849 38.632 -1.506 1.00 0.00 C ATOM 53 NE ARG A 4 -35.797 37.867 -2.777 1.00 0.00 N ATOM 54 CZ ARG A 4 -35.775 38.404 -4.011 1.00 0.00 C ATOM 55 NH1 ARG A 4 -35.803 39.721 -4.191 1.00 0.00 N ATOM 56 NH2 ARG A 4 -35.710 37.610 -5.067 1.00 0.00 N ATOM 0 H ARG A 4 -36.484 37.534 2.280 1.00 0.00 H new ATOM 0 HA ARG A 4 -37.719 35.517 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -34.963 36.797 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -35.819 35.931 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -37.635 37.680 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -36.728 38.557 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -36.315 39.600 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -34.833 38.827 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 4 -35.776 36.849 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -35.842 40.345 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -35.786 40.107 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -35.677 36.598 -4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -35.693 38.010 -6.005 1.00 0.00 H new ATOM 70 N VAL A 5 -36.854 33.473 1.878 1.00 0.00 N ATOM 71 CA VAL A 5 -36.372 32.190 2.406 1.00 0.00 C ATOM 72 C VAL A 5 -35.825 31.296 1.281 1.00 0.00 C ATOM 73 O VAL A 5 -36.438 31.174 0.214 1.00 0.00 O ATOM 74 CB VAL A 5 -37.503 31.435 3.218 1.00 0.00 C ATOM 75 CG1 VAL A 5 -38.785 31.219 2.379 1.00 0.00 C ATOM 76 CG2 VAL A 5 -36.995 30.087 3.792 1.00 0.00 C ATOM 0 H VAL A 5 -37.867 33.510 1.761 1.00 0.00 H new ATOM 0 HA VAL A 5 -35.556 32.410 3.094 1.00 0.00 H new ATOM 0 HB VAL A 5 -37.763 32.085 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -39.530 30.698 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -39.182 32.185 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -38.547 30.622 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -37.800 29.599 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -36.672 29.442 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -36.156 30.270 4.463 1.00 0.00 H new ATOM 86 N ARG A 6 -34.643 30.705 1.516 1.00 0.00 N ATOM 87 CA ARG A 6 -34.085 29.658 0.648 1.00 0.00 C ATOM 88 C ARG A 6 -34.127 28.319 1.420 1.00 0.00 C ATOM 89 O ARG A 6 -33.239 27.988 2.217 1.00 0.00 O ATOM 90 CB ARG A 6 -32.663 30.046 0.129 1.00 0.00 C ATOM 91 CG ARG A 6 -31.575 30.280 1.205 1.00 0.00 C ATOM 92 CD ARG A 6 -30.264 30.849 0.620 1.00 0.00 C ATOM 93 NE ARG A 6 -30.398 32.278 0.271 1.00 0.00 N ATOM 94 CZ ARG A 6 -30.389 32.800 -0.970 1.00 0.00 C ATOM 95 NH1 ARG A 6 -30.299 32.021 -2.037 1.00 0.00 N ATOM 96 NH2 ARG A 6 -30.489 34.106 -1.129 1.00 0.00 N ATOM 0 H ARG A 6 -34.049 30.939 2.311 1.00 0.00 H new ATOM 0 HA ARG A 6 -34.685 29.545 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -32.317 29.258 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -32.754 30.954 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -31.959 30.967 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -31.363 29.338 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -29.458 30.725 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -29.985 30.282 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 6 -30.508 32.933 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -30.235 31.009 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -30.294 32.433 -2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -30.572 34.714 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -30.483 34.508 -2.067 1.00 0.00 H new ATOM 110 N LEU A 7 -35.239 27.590 1.248 1.00 0.00 N ATOM 111 CA LEU A 7 -35.458 26.306 1.919 1.00 0.00 C ATOM 112 C LEU A 7 -34.791 25.196 1.092 1.00 0.00 C ATOM 113 O LEU A 7 -35.407 24.605 0.188 1.00 0.00 O ATOM 114 CB LEU A 7 -36.976 26.034 2.129 1.00 0.00 C ATOM 115 CG LEU A 7 -37.312 24.784 3.004 1.00 0.00 C ATOM 116 CD1 LEU A 7 -36.762 24.950 4.438 1.00 0.00 C ATOM 117 CD2 LEU A 7 -38.831 24.491 3.020 1.00 0.00 C ATOM 0 H LEU A 7 -36.008 27.875 0.641 1.00 0.00 H new ATOM 0 HA LEU A 7 -35.007 26.330 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -37.426 26.913 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -37.445 25.911 1.153 1.00 0.00 H new ATOM 0 HG LEU A 7 -36.820 23.924 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -37.009 24.067 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -35.679 25.070 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -37.209 25.830 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -39.026 23.615 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -39.363 25.350 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -39.176 24.301 2.003 1.00 0.00 H new ATOM 129 N ILE A 8 -33.492 24.992 1.357 1.00 0.00 N ATOM 130 CA ILE A 8 -32.671 23.988 0.685 1.00 0.00 C ATOM 131 C ILE A 8 -31.581 23.501 1.659 1.00 0.00 C ATOM 132 O ILE A 8 -30.889 24.308 2.289 1.00 0.00 O ATOM 133 CB ILE A 8 -32.040 24.554 -0.658 1.00 0.00 C ATOM 134 CG1 ILE A 8 -31.108 23.492 -1.337 1.00 0.00 C ATOM 135 CG2 ILE A 8 -31.302 25.910 -0.430 1.00 0.00 C ATOM 136 CD1 ILE A 8 -30.512 23.918 -2.668 1.00 0.00 C ATOM 0 H ILE A 8 -32.980 25.531 2.055 1.00 0.00 H new ATOM 0 HA ILE A 8 -33.300 23.145 0.399 1.00 0.00 H new ATOM 0 HB ILE A 8 -32.863 24.756 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -30.295 23.253 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -31.677 22.575 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -30.886 26.261 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -32.007 26.648 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -30.497 25.769 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -29.883 23.118 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -31.314 24.127 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -29.910 24.816 -2.527 1.00 0.00 H new ATOM 148 N ARG A 9 -31.481 22.175 1.808 1.00 0.00 N ATOM 149 CA ARG A 9 -30.462 21.520 2.631 1.00 0.00 C ATOM 150 C ARG A 9 -30.116 20.168 1.986 1.00 0.00 C ATOM 151 O ARG A 9 -30.779 19.146 2.222 1.00 0.00 O ATOM 152 CB ARG A 9 -30.938 21.367 4.107 1.00 0.00 C ATOM 153 CG ARG A 9 -29.908 20.685 5.043 1.00 0.00 C ATOM 154 CD ARG A 9 -30.303 20.746 6.530 1.00 0.00 C ATOM 155 NE ARG A 9 -30.253 22.118 7.080 1.00 0.00 N ATOM 156 CZ ARG A 9 -30.122 22.428 8.383 1.00 0.00 C ATOM 157 NH1 ARG A 9 -30.038 21.474 9.313 1.00 0.00 N ATOM 158 NH2 ARG A 9 -30.079 23.693 8.755 1.00 0.00 N ATOM 0 H ARG A 9 -32.116 21.519 1.353 1.00 0.00 H new ATOM 0 HA ARG A 9 -29.563 22.134 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -31.174 22.354 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -31.862 20.789 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -29.793 19.642 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -28.937 21.162 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -31.310 20.348 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -29.636 20.104 7.105 1.00 0.00 H new ATOM 0 HE ARG A 9 -30.323 22.891 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -30.073 20.492 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -29.939 21.727 10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -30.145 24.433 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -29.980 23.931 9.742 1.00 0.00 H new ATOM 172 N THR A 10 -29.111 20.207 1.108 1.00 0.00 N ATOM 173 CA THR A 10 -28.632 19.044 0.363 1.00 0.00 C ATOM 174 C THR A 10 -27.696 18.189 1.245 1.00 0.00 C ATOM 175 O THR A 10 -26.473 18.374 1.243 1.00 0.00 O ATOM 176 CB THR A 10 -27.920 19.512 -0.953 1.00 0.00 C ATOM 177 OG1 THR A 10 -26.907 20.488 -0.641 1.00 0.00 O ATOM 178 CG2 THR A 10 -28.919 20.124 -1.962 1.00 0.00 C ATOM 0 H THR A 10 -28.600 21.063 0.892 1.00 0.00 H new ATOM 0 HA THR A 10 -29.480 18.418 0.084 1.00 0.00 H new ATOM 0 HB THR A 10 -27.469 18.632 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 10 -26.335 20.148 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 10 -28.385 20.435 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 10 -29.671 19.380 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 10 -29.407 20.989 -1.512 1.00 0.00 H new ATOM 186 N ARG A 11 -28.301 17.298 2.050 1.00 0.00 N ATOM 187 CA ARG A 11 -27.577 16.365 2.928 1.00 0.00 C ATOM 188 C ARG A 11 -27.152 15.138 2.098 1.00 0.00 C ATOM 189 O ARG A 11 -25.957 14.837 1.984 1.00 0.00 O ATOM 190 CB ARG A 11 -28.489 15.992 4.144 1.00 0.00 C ATOM 191 CG ARG A 11 -27.828 15.165 5.289 1.00 0.00 C ATOM 192 CD ARG A 11 -27.700 13.666 4.970 1.00 0.00 C ATOM 193 NE ARG A 11 -27.107 12.897 6.075 1.00 0.00 N ATOM 194 CZ ARG A 11 -26.670 11.626 5.978 1.00 0.00 C ATOM 195 NH1 ARG A 11 -26.699 10.982 4.811 1.00 0.00 N ATOM 196 NH2 ARG A 11 -26.212 11.004 7.049 1.00 0.00 N ATOM 0 H ARG A 11 -29.315 17.205 2.109 1.00 0.00 H new ATOM 0 HA ARG A 11 -26.673 16.818 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -28.879 16.915 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -29.344 15.430 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -26.837 15.570 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -28.416 15.286 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -28.686 13.262 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -27.088 13.540 4.077 1.00 0.00 H new ATOM 0 HE ARG A 11 -27.020 13.359 6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -27.055 11.451 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -26.365 10.020 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -26.189 11.486 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -25.881 10.042 6.977 1.00 0.00 H new ATOM 210 N GLY A 12 -28.158 14.441 1.527 1.00 0.00 N ATOM 211 CA GLY A 12 -27.934 13.280 0.667 1.00 0.00 C ATOM 212 C GLY A 12 -27.338 12.081 1.397 1.00 0.00 C ATOM 213 O GLY A 12 -27.998 11.484 2.257 1.00 0.00 O ATOM 0 H GLY A 12 -29.143 14.674 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -28.881 12.985 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -27.268 13.566 -0.148 1.00 0.00 H new ATOM 217 N GLY A 13 -26.078 11.756 1.063 1.00 0.00 N ATOM 218 CA GLY A 13 -25.371 10.593 1.609 1.00 0.00 C ATOM 219 C GLY A 13 -24.305 10.091 0.642 1.00 0.00 C ATOM 220 O GLY A 13 -24.404 10.322 -0.571 1.00 0.00 O ATOM 0 H GLY A 13 -25.521 12.298 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.907 10.859 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -26.084 9.795 1.815 1.00 0.00 H new ATOM 224 N ASN A 14 -23.292 9.391 1.171 1.00 0.00 N ATOM 225 CA ASN A 14 -22.147 8.893 0.384 1.00 0.00 C ATOM 226 C ASN A 14 -21.705 7.522 0.918 1.00 0.00 C ATOM 227 O ASN A 14 -21.494 7.355 2.123 1.00 0.00 O ATOM 228 CB ASN A 14 -20.977 9.913 0.437 1.00 0.00 C ATOM 229 CG ASN A 14 -19.682 9.447 -0.250 1.00 0.00 C ATOM 230 OD1 ASN A 14 -19.699 8.687 -1.220 1.00 0.00 O ATOM 231 ND2 ASN A 14 -18.547 9.898 0.254 1.00 0.00 N ATOM 0 H ASN A 14 -23.240 9.151 2.161 1.00 0.00 H new ATOM 0 HA ASN A 14 -22.449 8.777 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.304 10.843 -0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.757 10.138 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.658 9.618 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.560 10.526 1.057 1.00 0.00 H new ATOM 238 N THR A 15 -21.598 6.547 0.003 1.00 0.00 N ATOM 239 CA THR A 15 -21.152 5.176 0.297 1.00 0.00 C ATOM 240 C THR A 15 -20.177 4.706 -0.792 1.00 0.00 C ATOM 241 O THR A 15 -20.385 4.990 -1.979 1.00 0.00 O ATOM 242 CB THR A 15 -22.369 4.180 0.367 1.00 0.00 C ATOM 243 OG1 THR A 15 -23.251 4.398 -0.749 1.00 0.00 O ATOM 244 CG2 THR A 15 -23.170 4.309 1.674 1.00 0.00 C ATOM 0 H THR A 15 -21.823 6.692 -0.981 1.00 0.00 H new ATOM 0 HA THR A 15 -20.657 5.184 1.268 1.00 0.00 H new ATOM 0 HB THR A 15 -21.951 3.174 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 15 -24.004 3.773 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 15 -23.996 3.598 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 15 -22.519 4.099 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.563 5.322 1.761 1.00 0.00 H new ATOM 252 N LYS A 16 -19.119 3.992 -0.377 1.00 0.00 N ATOM 253 CA LYS A 16 -18.154 3.375 -1.300 1.00 0.00 C ATOM 254 C LYS A 16 -18.492 1.891 -1.529 1.00 0.00 C ATOM 255 O LYS A 16 -19.476 1.363 -0.992 1.00 0.00 O ATOM 256 CB LYS A 16 -16.705 3.512 -0.755 1.00 0.00 C ATOM 257 CG LYS A 16 -16.139 4.944 -0.767 1.00 0.00 C ATOM 258 CD LYS A 16 -14.645 4.990 -0.362 1.00 0.00 C ATOM 259 CE LYS A 16 -14.059 6.407 -0.428 1.00 0.00 C ATOM 260 NZ LYS A 16 -14.124 6.988 -1.795 1.00 0.00 N ATOM 0 H LYS A 16 -18.909 3.826 0.607 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.219 3.900 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.680 3.136 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.049 2.873 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.256 5.370 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.717 5.566 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.535 4.602 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.074 4.334 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.600 7.053 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.021 6.383 -0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.569 7.867 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.735 6.309 -2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.114 7.195 -2.037 1.00 0.00 H new ATOM 274 N VAL A 17 -17.655 1.249 -2.350 1.00 0.00 N ATOM 275 CA VAL A 17 -17.741 -0.182 -2.667 1.00 0.00 C ATOM 276 C VAL A 17 -16.312 -0.714 -2.924 1.00 0.00 C ATOM 277 O VAL A 17 -15.411 0.072 -3.249 1.00 0.00 O ATOM 278 CB VAL A 17 -18.685 -0.418 -3.918 1.00 0.00 C ATOM 279 CG1 VAL A 17 -18.134 0.280 -5.182 1.00 0.00 C ATOM 280 CG2 VAL A 17 -18.955 -1.918 -4.177 1.00 0.00 C ATOM 0 H VAL A 17 -16.883 1.718 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.179 -0.727 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 17 -19.645 0.038 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.806 0.097 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -18.061 1.353 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.146 -0.117 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -19.607 -2.026 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.012 -2.430 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -19.438 -2.357 -3.304 1.00 0.00 H new ATOM 290 N ARG A 18 -16.100 -2.033 -2.747 1.00 0.00 N ATOM 291 CA ARG A 18 -14.784 -2.673 -3.011 1.00 0.00 C ATOM 292 C ARG A 18 -14.470 -2.690 -4.528 1.00 0.00 C ATOM 293 O ARG A 18 -15.264 -2.197 -5.346 1.00 0.00 O ATOM 294 CB ARG A 18 -14.695 -4.116 -2.391 1.00 0.00 C ATOM 295 CG ARG A 18 -15.456 -5.256 -3.132 1.00 0.00 C ATOM 296 CD ARG A 18 -16.986 -5.110 -3.105 1.00 0.00 C ATOM 297 NE ARG A 18 -17.659 -6.287 -3.695 1.00 0.00 N ATOM 298 CZ ARG A 18 -18.933 -6.326 -4.142 1.00 0.00 C ATOM 299 NH1 ARG A 18 -19.693 -5.239 -4.139 1.00 0.00 N ATOM 300 NH2 ARG A 18 -19.436 -7.461 -4.611 1.00 0.00 N ATOM 0 H ARG A 18 -16.819 -2.680 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.024 -2.068 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.643 -4.394 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.070 -4.068 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.123 -5.286 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.185 -6.211 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.321 -4.977 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.276 -4.213 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.113 -7.145 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.317 -4.355 -3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -20.653 -5.287 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.861 -8.303 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.398 -7.491 -4.949 1.00 0.00 H new ATOM 314 N LEU A 19 -13.297 -3.239 -4.891 1.00 0.00 N ATOM 315 CA LEU A 19 -12.839 -3.316 -6.292 1.00 0.00 C ATOM 316 C LEU A 19 -13.845 -4.100 -7.180 1.00 0.00 C ATOM 317 O LEU A 19 -14.367 -5.145 -6.782 1.00 0.00 O ATOM 318 CB LEU A 19 -11.407 -3.945 -6.378 1.00 0.00 C ATOM 319 CG LEU A 19 -11.244 -5.505 -6.193 1.00 0.00 C ATOM 320 CD1 LEU A 19 -9.760 -5.921 -6.310 1.00 0.00 C ATOM 321 CD2 LEU A 19 -11.841 -6.010 -4.865 1.00 0.00 C ATOM 0 H LEU A 19 -12.640 -3.642 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.787 -2.298 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.991 -3.684 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.788 -3.458 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.809 -5.975 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.673 -7.000 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.381 -5.643 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.178 -5.414 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.701 -7.088 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.339 -5.520 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.906 -5.779 -4.834 1.00 0.00 H new ATOM 333 N ALA A 20 -14.165 -3.541 -8.351 1.00 0.00 N ATOM 334 CA ALA A 20 -14.975 -4.217 -9.390 1.00 0.00 C ATOM 335 C ALA A 20 -14.121 -4.471 -10.640 1.00 0.00 C ATOM 336 O ALA A 20 -14.548 -5.167 -11.563 1.00 0.00 O ATOM 337 CB ALA A 20 -16.210 -3.366 -9.730 1.00 0.00 C ATOM 0 H ALA A 20 -13.871 -2.600 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 20 -15.317 -5.179 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.800 -3.871 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.816 -3.231 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.890 -2.393 -10.102 1.00 0.00 H new ATOM 343 N SER A 21 -12.906 -3.897 -10.641 1.00 0.00 N ATOM 344 CA SER A 21 -11.924 -4.025 -11.727 1.00 0.00 C ATOM 345 C SER A 21 -10.806 -5.014 -11.297 1.00 0.00 C ATOM 346 O SER A 21 -11.112 -6.051 -10.696 1.00 0.00 O ATOM 347 CB SER A 21 -11.384 -2.612 -12.046 1.00 0.00 C ATOM 348 OG SER A 21 -12.428 -1.717 -12.370 1.00 0.00 O ATOM 0 H SER A 21 -12.574 -3.319 -9.869 1.00 0.00 H new ATOM 0 HA SER A 21 -12.373 -4.433 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.831 -2.231 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.682 -2.669 -12.878 1.00 0.00 H new ATOM 0 HG SER A 21 -12.052 -0.833 -12.564 1.00 0.00 H new ATOM 354 N ASP A 22 -9.524 -4.696 -11.593 1.00 0.00 N ATOM 355 CA ASP A 22 -8.368 -5.567 -11.291 1.00 0.00 C ATOM 356 C ASP A 22 -7.916 -5.396 -9.822 1.00 0.00 C ATOM 357 O ASP A 22 -8.508 -4.601 -9.075 1.00 0.00 O ATOM 358 CB ASP A 22 -7.209 -5.240 -12.274 1.00 0.00 C ATOM 359 CG ASP A 22 -6.715 -3.785 -12.162 1.00 0.00 C ATOM 360 OD1 ASP A 22 -7.282 -2.891 -12.825 1.00 0.00 O ATOM 361 OD2 ASP A 22 -5.765 -3.526 -11.403 1.00 0.00 O ATOM 0 H ASP A 22 -9.263 -3.823 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.661 -6.609 -11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.376 -5.916 -12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.543 -5.427 -13.295 1.00 0.00 H new ATOM 366 N THR A 23 -6.850 -6.136 -9.433 1.00 0.00 N ATOM 367 CA THR A 23 -6.334 -6.155 -8.049 1.00 0.00 C ATOM 368 C THR A 23 -5.804 -4.774 -7.644 1.00 0.00 C ATOM 369 O THR A 23 -4.831 -4.263 -8.222 1.00 0.00 O ATOM 370 CB THR A 23 -5.205 -7.212 -7.858 1.00 0.00 C ATOM 371 OG1 THR A 23 -5.677 -8.508 -8.283 1.00 0.00 O ATOM 372 CG2 THR A 23 -4.725 -7.307 -6.391 1.00 0.00 C ATOM 0 H THR A 23 -6.326 -6.735 -10.071 1.00 0.00 H new ATOM 0 HA THR A 23 -7.173 -6.428 -7.409 1.00 0.00 H new ATOM 0 HB THR A 23 -4.359 -6.891 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.965 -9.171 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.938 -8.058 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.336 -6.340 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.561 -7.591 -5.752 1.00 0.00 H new ATOM 380 N ARG A 24 -6.482 -4.171 -6.672 1.00 0.00 N ATOM 381 CA ARG A 24 -6.157 -2.834 -6.173 1.00 0.00 C ATOM 382 C ARG A 24 -5.809 -2.900 -4.675 1.00 0.00 C ATOM 383 O ARG A 24 -5.996 -3.949 -4.033 1.00 0.00 O ATOM 384 CB ARG A 24 -7.360 -1.881 -6.482 1.00 0.00 C ATOM 385 CG ARG A 24 -6.929 -0.472 -6.928 1.00 0.00 C ATOM 386 CD ARG A 24 -8.035 0.335 -7.638 1.00 0.00 C ATOM 387 NE ARG A 24 -8.644 -0.308 -8.829 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.005 -0.822 -9.915 1.00 0.00 C ATOM 389 NH1 ARG A 24 -6.687 -0.987 -9.959 1.00 0.00 N ATOM 390 NH2 ARG A 24 -8.712 -1.166 -10.971 1.00 0.00 N ATOM 0 H ARG A 24 -7.280 -4.599 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.276 -2.433 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.976 -2.328 -7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.984 -1.797 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.593 0.086 -6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.074 -0.561 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.826 0.543 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.619 1.296 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.662 -0.372 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.113 -0.724 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.249 -1.376 -10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.725 -1.046 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.247 -1.553 -11.792 1.00 0.00 H new ATOM 404 N ILE A 25 -5.293 -1.789 -4.122 1.00 0.00 N ATOM 405 CA ILE A 25 -4.819 -1.740 -2.733 1.00 0.00 C ATOM 406 C ILE A 25 -5.278 -0.449 -2.034 1.00 0.00 C ATOM 407 O ILE A 25 -5.296 0.634 -2.633 1.00 0.00 O ATOM 408 CB ILE A 25 -3.246 -1.898 -2.658 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.722 -1.941 -1.178 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.522 -0.793 -3.474 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.245 -2.294 -1.029 1.00 0.00 C ATOM 0 H ILE A 25 -5.194 -0.906 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.264 -2.582 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.008 -2.860 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.896 -0.968 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.312 -2.668 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.444 -0.933 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.825 -0.855 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.789 0.186 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.977 -2.299 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.062 -3.281 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.640 -1.555 -1.554 1.00 0.00 H new ATOM 423 N ASN A 26 -5.658 -0.592 -0.755 1.00 0.00 N ATOM 424 CA ASN A 26 -6.032 0.524 0.109 1.00 0.00 C ATOM 425 C ASN A 26 -4.761 0.962 0.838 1.00 0.00 C ATOM 426 O ASN A 26 -4.324 0.307 1.798 1.00 0.00 O ATOM 427 CB ASN A 26 -7.129 0.093 1.115 1.00 0.00 C ATOM 428 CG ASN A 26 -8.385 -0.460 0.430 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.307 0.283 0.100 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.426 -1.766 0.217 1.00 0.00 N ATOM 0 H ASN A 26 -5.713 -1.499 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.445 1.348 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.723 -0.665 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.405 0.948 1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.240 -2.184 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.643 -2.354 0.503 1.00 0.00 H new ATOM 437 N VAL A 27 -4.155 2.042 0.348 1.00 0.00 N ATOM 438 CA VAL A 27 -2.864 2.537 0.827 1.00 0.00 C ATOM 439 C VAL A 27 -3.081 3.584 1.922 1.00 0.00 C ATOM 440 O VAL A 27 -3.629 4.658 1.674 1.00 0.00 O ATOM 441 CB VAL A 27 -2.029 3.138 -0.357 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.702 3.745 0.133 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.776 2.073 -1.444 1.00 0.00 C ATOM 0 H VAL A 27 -4.552 2.606 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.301 1.703 1.247 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.616 3.945 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.152 4.151 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.908 4.543 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.105 2.972 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.195 2.512 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.224 1.238 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.730 1.716 -1.833 1.00 0.00 H new ATOM 453 N VAL A 28 -2.653 3.243 3.134 1.00 0.00 N ATOM 454 CA VAL A 28 -2.805 4.091 4.314 1.00 0.00 C ATOM 455 C VAL A 28 -1.462 4.737 4.641 1.00 0.00 C ATOM 456 O VAL A 28 -0.487 4.028 4.862 1.00 0.00 O ATOM 457 CB VAL A 28 -3.285 3.249 5.553 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.579 4.149 6.778 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.503 2.368 5.193 1.00 0.00 C ATOM 0 H VAL A 28 -2.184 2.358 3.328 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.553 4.854 4.100 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.467 2.585 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.908 3.531 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.674 4.687 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.362 4.863 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.812 1.798 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.326 3.002 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.231 1.682 4.391 1.00 0.00 H new ATOM 469 N ASP A 29 -1.412 6.071 4.646 1.00 0.00 N ATOM 470 CA ASP A 29 -0.272 6.819 5.188 1.00 0.00 C ATOM 471 C ASP A 29 -0.066 6.452 6.670 1.00 0.00 C ATOM 472 O ASP A 29 -0.970 6.677 7.474 1.00 0.00 O ATOM 473 CB ASP A 29 -0.508 8.348 5.088 1.00 0.00 C ATOM 474 CG ASP A 29 -0.525 8.870 3.657 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.548 9.233 3.143 1.00 0.00 O ATOM 476 OD2 ASP A 29 -1.607 8.932 3.044 1.00 0.00 O ATOM 0 H ASP A 29 -2.156 6.662 4.276 1.00 0.00 H new ATOM 0 HA ASP A 29 0.609 6.555 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.456 8.593 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.273 8.865 5.645 1.00 0.00 H new ATOM 481 N PRO A 30 1.096 5.849 7.062 1.00 0.00 N ATOM 482 CA PRO A 30 1.431 5.654 8.487 1.00 0.00 C ATOM 483 C PRO A 30 1.798 6.998 9.170 1.00 0.00 C ATOM 484 O PRO A 30 1.763 7.113 10.397 1.00 0.00 O ATOM 485 CB PRO A 30 2.623 4.655 8.447 1.00 0.00 C ATOM 486 CG PRO A 30 3.266 4.890 7.111 1.00 0.00 C ATOM 487 CD PRO A 30 2.147 5.288 6.169 1.00 0.00 C ATOM 0 HA PRO A 30 0.598 5.272 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.323 4.839 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.281 3.625 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.020 5.675 7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.771 3.991 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.484 6.025 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.776 4.431 5.608 1.00 0.00 H new ATOM 495 N GLU A 31 2.117 8.017 8.344 1.00 0.00 N ATOM 496 CA GLU A 31 2.500 9.355 8.817 1.00 0.00 C ATOM 497 C GLU A 31 1.267 10.199 9.246 1.00 0.00 C ATOM 498 O GLU A 31 1.222 10.702 10.374 1.00 0.00 O ATOM 499 CB GLU A 31 3.333 10.084 7.713 1.00 0.00 C ATOM 500 CG GLU A 31 2.679 10.125 6.309 1.00 0.00 C ATOM 501 CD GLU A 31 3.530 10.850 5.253 1.00 0.00 C ATOM 502 OE1 GLU A 31 4.489 10.242 4.731 1.00 0.00 O ATOM 503 OE2 GLU A 31 3.261 12.040 4.963 1.00 0.00 O ATOM 0 H GLU A 31 2.115 7.930 7.328 1.00 0.00 H new ATOM 0 HA GLU A 31 3.117 9.238 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.520 11.107 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.303 9.594 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.492 9.104 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.710 10.618 6.383 1.00 0.00 H new ATOM 510 N THR A 32 0.273 10.338 8.346 1.00 0.00 N ATOM 511 CA THR A 32 -0.931 11.171 8.586 1.00 0.00 C ATOM 512 C THR A 32 -2.160 10.336 8.990 1.00 0.00 C ATOM 513 O THR A 32 -3.054 10.846 9.680 1.00 0.00 O ATOM 514 CB THR A 32 -1.258 12.019 7.310 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.400 11.151 6.172 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.169 13.075 7.022 1.00 0.00 C ATOM 0 H THR A 32 0.278 9.880 7.435 1.00 0.00 H new ATOM 0 HA THR A 32 -0.702 11.830 9.423 1.00 0.00 H new ATOM 0 HB THR A 32 -2.193 12.547 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.606 11.685 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.437 13.640 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.088 13.755 7.870 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.788 12.577 6.863 1.00 0.00 H new ATOM 524 N GLY A 33 -2.199 9.062 8.562 1.00 0.00 N ATOM 525 CA GLY A 33 -3.342 8.172 8.846 1.00 0.00 C ATOM 526 C GLY A 33 -4.407 8.207 7.756 1.00 0.00 C ATOM 527 O GLY A 33 -5.484 7.618 7.924 1.00 0.00 O ATOM 0 H GLY A 33 -1.454 8.625 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.980 7.150 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.792 8.459 9.796 1.00 0.00 H new ATOM 531 N LYS A 34 -4.104 8.904 6.639 1.00 0.00 N ATOM 532 CA LYS A 34 -5.011 9.012 5.476 1.00 0.00 C ATOM 533 C LYS A 34 -5.050 7.692 4.688 1.00 0.00 C ATOM 534 O LYS A 34 -4.028 7.028 4.558 1.00 0.00 O ATOM 535 CB LYS A 34 -4.547 10.165 4.546 1.00 0.00 C ATOM 536 CG LYS A 34 -4.612 11.575 5.174 1.00 0.00 C ATOM 537 CD LYS A 34 -6.041 11.963 5.612 1.00 0.00 C ATOM 538 CE LYS A 34 -6.132 13.392 6.173 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.492 13.684 6.702 1.00 0.00 N ATOM 0 H LYS A 34 -3.225 9.407 6.519 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.015 9.225 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.521 9.970 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.162 10.156 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.948 11.616 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.245 12.307 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.714 11.870 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.386 11.259 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.396 13.520 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.883 14.108 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.519 14.655 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.190 13.585 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.718 13.016 7.466 1.00 0.00 H new ATOM 553 N VAL A 35 -6.239 7.325 4.169 1.00 0.00 N ATOM 554 CA VAL A 35 -6.435 6.094 3.371 1.00 0.00 C ATOM 555 C VAL A 35 -6.910 6.470 1.957 1.00 0.00 C ATOM 556 O VAL A 35 -7.958 7.114 1.809 1.00 0.00 O ATOM 557 CB VAL A 35 -7.495 5.122 4.035 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.563 3.772 3.283 1.00 0.00 C ATOM 559 CG2 VAL A 35 -7.205 4.911 5.538 1.00 0.00 C ATOM 0 H VAL A 35 -7.091 7.872 4.290 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.480 5.571 3.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.472 5.598 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.299 3.126 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.853 3.947 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.585 3.291 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.951 4.239 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.213 4.475 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.245 5.870 6.054 1.00 0.00 H new ATOM 569 N GLU A 36 -6.152 6.049 0.930 1.00 0.00 N ATOM 570 CA GLU A 36 -6.485 6.286 -0.480 1.00 0.00 C ATOM 571 C GLU A 36 -6.262 4.992 -1.270 1.00 0.00 C ATOM 572 O GLU A 36 -5.245 4.315 -1.083 1.00 0.00 O ATOM 573 CB GLU A 36 -5.611 7.416 -1.075 1.00 0.00 C ATOM 574 CG GLU A 36 -6.017 7.851 -2.501 1.00 0.00 C ATOM 575 CD GLU A 36 -5.007 8.788 -3.188 1.00 0.00 C ATOM 576 OE1 GLU A 36 -4.651 9.828 -2.601 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.600 8.506 -4.333 1.00 0.00 O ATOM 0 H GLU A 36 -5.283 5.530 1.059 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.529 6.593 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.660 8.283 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.572 7.086 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.147 6.961 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.985 8.350 -2.454 1.00 0.00 H new ATOM 584 N ILE A 37 -7.206 4.669 -2.155 1.00 0.00 N ATOM 585 CA ILE A 37 -7.149 3.466 -2.986 1.00 0.00 C ATOM 586 C ILE A 37 -6.187 3.710 -4.181 1.00 0.00 C ATOM 587 O ILE A 37 -6.544 4.398 -5.152 1.00 0.00 O ATOM 588 CB ILE A 37 -8.596 3.068 -3.476 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.577 2.937 -2.257 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.571 1.756 -4.300 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.025 2.659 -2.635 1.00 0.00 C ATOM 0 H ILE A 37 -8.037 5.238 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.763 2.632 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.957 3.864 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.224 2.135 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.538 3.858 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.583 1.510 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.933 1.887 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.179 0.947 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.629 2.584 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.401 3.471 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.083 1.722 -3.189 1.00 0.00 H new ATOM 603 N ALA A 38 -4.943 3.203 -4.069 1.00 0.00 N ATOM 604 CA ALA A 38 -3.969 3.213 -5.181 1.00 0.00 C ATOM 605 C ALA A 38 -4.015 1.880 -5.916 1.00 0.00 C ATOM 606 O ALA A 38 -4.533 0.893 -5.391 1.00 0.00 O ATOM 607 CB ALA A 38 -2.551 3.512 -4.679 1.00 0.00 C ATOM 0 H ALA A 38 -4.586 2.778 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.242 4.010 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.859 3.512 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.535 4.489 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.250 2.748 -3.962 1.00 0.00 H new ATOM 613 N GLU A 39 -3.462 1.851 -7.131 1.00 0.00 N ATOM 614 CA GLU A 39 -3.508 0.665 -8.004 1.00 0.00 C ATOM 615 C GLU A 39 -2.151 -0.053 -7.969 1.00 0.00 C ATOM 616 O GLU A 39 -1.113 0.612 -8.013 1.00 0.00 O ATOM 617 CB GLU A 39 -3.857 1.105 -9.447 1.00 0.00 C ATOM 618 CG GLU A 39 -5.140 1.954 -9.578 1.00 0.00 C ATOM 619 CD GLU A 39 -5.426 2.352 -11.033 1.00 0.00 C ATOM 620 OE1 GLU A 39 -6.054 1.559 -11.759 1.00 0.00 O ATOM 621 OE2 GLU A 39 -4.991 3.446 -11.468 1.00 0.00 O ATOM 0 H GLU A 39 -2.970 2.645 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.274 -0.026 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.020 1.675 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.964 0.215 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.987 1.393 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.042 2.853 -8.970 1.00 0.00 H new ATOM 628 N ILE A 40 -2.150 -1.405 -7.886 1.00 0.00 N ATOM 629 CA ILE A 40 -0.903 -2.183 -7.905 1.00 0.00 C ATOM 630 C ILE A 40 -0.425 -2.330 -9.365 1.00 0.00 C ATOM 631 O ILE A 40 -1.045 -3.036 -10.172 1.00 0.00 O ATOM 632 CB ILE A 40 -1.089 -3.595 -7.247 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.686 -3.431 -5.816 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.257 -4.380 -7.214 1.00 0.00 C ATOM 635 CD1 ILE A 40 -2.020 -4.722 -5.113 1.00 0.00 C ATOM 0 H ILE A 40 -2.996 -1.970 -7.806 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.153 -1.651 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.785 -4.178 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.976 -2.875 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.591 -2.827 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.098 -5.355 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.624 -4.515 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.991 -3.820 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.429 -4.504 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.757 -5.274 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.117 -5.323 -5.007 1.00 0.00 H new ATOM 647 N ARG A 41 0.673 -1.654 -9.674 1.00 0.00 N ATOM 648 CA ARG A 41 1.309 -1.662 -10.989 1.00 0.00 C ATOM 649 C ARG A 41 2.134 -2.945 -11.152 1.00 0.00 C ATOM 650 O ARG A 41 1.931 -3.709 -12.094 1.00 0.00 O ATOM 651 CB ARG A 41 2.199 -0.399 -11.104 1.00 0.00 C ATOM 652 CG ARG A 41 1.422 0.941 -11.007 1.00 0.00 C ATOM 653 CD ARG A 41 2.334 2.142 -10.690 1.00 0.00 C ATOM 654 NE ARG A 41 3.506 2.226 -11.588 1.00 0.00 N ATOM 655 CZ ARG A 41 4.026 3.360 -12.085 1.00 0.00 C ATOM 656 NH1 ARG A 41 3.422 4.533 -11.904 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.139 3.307 -12.796 1.00 0.00 N ATOM 0 H ARG A 41 1.162 -1.067 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 41 0.562 -1.645 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.952 -0.427 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.731 -0.429 -12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.904 1.123 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.658 0.857 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.755 3.062 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.677 2.069 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 41 3.957 1.350 -11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.548 4.581 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.833 5.383 -12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.595 2.410 -12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.542 4.163 -13.178 1.00 0.00 H new ATOM 671 N ASN A 42 3.036 -3.196 -10.190 1.00 0.00 N ATOM 672 CA ASN A 42 3.974 -4.343 -10.248 1.00 0.00 C ATOM 673 C ASN A 42 4.291 -4.835 -8.821 1.00 0.00 C ATOM 674 O ASN A 42 3.999 -4.140 -7.844 1.00 0.00 O ATOM 675 CB ASN A 42 5.276 -3.924 -10.996 1.00 0.00 C ATOM 676 CG ASN A 42 6.105 -5.115 -11.502 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.899 -5.704 -10.771 1.00 0.00 O ATOM 678 ND2 ASN A 42 5.927 -5.477 -12.753 1.00 0.00 N ATOM 0 H ASN A 42 3.140 -2.619 -9.355 1.00 0.00 H new ATOM 0 HA ASN A 42 3.511 -5.163 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.011 -3.291 -11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.891 -3.322 -10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.453 -6.262 -13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.263 -4.973 -13.340 1.00 0.00 H new ATOM 685 N VAL A 43 4.883 -6.038 -8.713 1.00 0.00 N ATOM 686 CA VAL A 43 5.242 -6.661 -7.419 1.00 0.00 C ATOM 687 C VAL A 43 6.752 -6.552 -7.134 1.00 0.00 C ATOM 688 O VAL A 43 7.264 -7.224 -6.223 1.00 0.00 O ATOM 689 CB VAL A 43 4.796 -8.168 -7.398 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.278 -8.285 -7.615 1.00 0.00 C ATOM 691 CG2 VAL A 43 5.566 -9.026 -8.444 1.00 0.00 C ATOM 0 H VAL A 43 5.128 -6.610 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 43 4.715 -6.118 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 43 5.045 -8.563 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.988 -9.336 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.755 -7.751 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.014 -7.852 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.223 -10.059 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.381 -8.633 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.634 -8.987 -8.231 1.00 0.00 H new ATOM 701 N VAL A 44 7.453 -5.703 -7.920 1.00 0.00 N ATOM 702 CA VAL A 44 8.894 -5.449 -7.747 1.00 0.00 C ATOM 703 C VAL A 44 9.144 -4.704 -6.408 1.00 0.00 C ATOM 704 O VAL A 44 9.009 -3.484 -6.291 1.00 0.00 O ATOM 705 CB VAL A 44 9.512 -4.687 -8.990 1.00 0.00 C ATOM 706 CG1 VAL A 44 8.775 -3.366 -9.324 1.00 0.00 C ATOM 707 CG2 VAL A 44 11.028 -4.453 -8.804 1.00 0.00 C ATOM 0 H VAL A 44 7.034 -5.179 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 44 9.412 -6.407 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 44 9.368 -5.340 -9.851 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.248 -2.893 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.731 -3.580 -9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.827 -2.694 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.424 -3.928 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.197 -3.853 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.534 -5.413 -8.698 1.00 0.00 H new ATOM 717 N GLU A 45 9.403 -5.512 -5.376 1.00 0.00 N ATOM 718 CA GLU A 45 9.808 -5.044 -4.036 1.00 0.00 C ATOM 719 C GLU A 45 11.139 -4.278 -4.130 1.00 0.00 C ATOM 720 O GLU A 45 11.299 -3.198 -3.547 1.00 0.00 O ATOM 721 CB GLU A 45 9.910 -6.274 -3.075 1.00 0.00 C ATOM 722 CG GLU A 45 10.753 -7.451 -3.636 1.00 0.00 C ATOM 723 CD GLU A 45 10.839 -8.644 -2.679 1.00 0.00 C ATOM 724 OE1 GLU A 45 9.948 -9.523 -2.721 1.00 0.00 O ATOM 725 OE2 GLU A 45 11.771 -8.689 -1.855 1.00 0.00 O ATOM 0 H GLU A 45 9.338 -6.528 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 45 9.064 -4.357 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.345 -5.948 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.905 -6.634 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.320 -7.782 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.760 -7.096 -3.855 1.00 0.00 H new ATOM 732 N ASN A 46 12.048 -4.864 -4.921 1.00 0.00 N ATOM 733 CA ASN A 46 13.403 -4.369 -5.192 1.00 0.00 C ATOM 734 C ASN A 46 14.045 -5.334 -6.211 1.00 0.00 C ATOM 735 O ASN A 46 13.317 -6.081 -6.889 1.00 0.00 O ATOM 736 CB ASN A 46 14.233 -4.240 -3.870 1.00 0.00 C ATOM 737 CG ASN A 46 14.512 -5.574 -3.165 1.00 0.00 C ATOM 738 OD1 ASN A 46 15.579 -6.170 -3.330 1.00 0.00 O ATOM 739 ND2 ASN A 46 13.557 -6.060 -2.401 1.00 0.00 N ATOM 0 H ASN A 46 11.849 -5.736 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 46 13.377 -3.364 -5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.183 -3.757 -4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.699 -3.584 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.689 -6.953 -1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.685 -5.544 -2.284 1.00 0.00 H new ATOM 746 N THR A 47 15.388 -5.331 -6.323 1.00 0.00 N ATOM 747 CA THR A 47 16.117 -6.225 -7.247 1.00 0.00 C ATOM 748 C THR A 47 15.924 -7.729 -6.881 1.00 0.00 C ATOM 749 O THR A 47 16.155 -8.604 -7.720 1.00 0.00 O ATOM 750 CB THR A 47 17.640 -5.850 -7.268 1.00 0.00 C ATOM 751 OG1 THR A 47 17.789 -4.434 -7.461 1.00 0.00 O ATOM 752 CG2 THR A 47 18.411 -6.577 -8.380 1.00 0.00 C ATOM 0 H THR A 47 15.994 -4.715 -5.781 1.00 0.00 H new ATOM 0 HA THR A 47 15.700 -6.083 -8.244 1.00 0.00 H new ATOM 0 HB THR A 47 18.055 -6.160 -6.309 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.742 -4.204 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.460 -6.281 -8.349 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.333 -7.654 -8.232 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.988 -6.312 -9.349 1.00 0.00 H new ATOM 760 N ALA A 48 15.466 -7.998 -5.636 1.00 0.00 N ATOM 761 CA ALA A 48 15.191 -9.358 -5.120 1.00 0.00 C ATOM 762 C ALA A 48 14.166 -10.128 -5.982 1.00 0.00 C ATOM 763 O ALA A 48 14.289 -11.344 -6.158 1.00 0.00 O ATOM 764 CB ALA A 48 14.708 -9.275 -3.668 1.00 0.00 C ATOM 0 H ALA A 48 15.275 -7.265 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 48 16.125 -9.917 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.507 -10.279 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.478 -8.806 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.795 -8.681 -3.622 1.00 0.00 H new ATOM 770 N ASN A 49 13.149 -9.418 -6.504 1.00 0.00 N ATOM 771 CA ASN A 49 12.175 -9.993 -7.458 1.00 0.00 C ATOM 772 C ASN A 49 11.942 -8.993 -8.615 1.00 0.00 C ATOM 773 O ASN A 49 11.124 -8.073 -8.488 1.00 0.00 O ATOM 774 CB ASN A 49 10.826 -10.362 -6.775 1.00 0.00 C ATOM 775 CG ASN A 49 9.818 -11.021 -7.743 1.00 0.00 C ATOM 776 OD1 ASN A 49 10.195 -11.728 -8.683 1.00 0.00 O ATOM 777 ND2 ASN A 49 8.535 -10.782 -7.536 1.00 0.00 N ATOM 0 H ASN A 49 12.977 -8.438 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 49 12.593 -10.921 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.020 -11.040 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.380 -9.461 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.834 -11.184 -8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.245 -10.195 -6.754 1.00 0.00 H new ATOM 784 N PRO A 50 12.711 -9.118 -9.743 1.00 0.00 N ATOM 785 CA PRO A 50 12.442 -8.374 -10.993 1.00 0.00 C ATOM 786 C PRO A 50 11.623 -9.205 -12.017 1.00 0.00 C ATOM 787 O PRO A 50 11.431 -8.765 -13.153 1.00 0.00 O ATOM 788 CB PRO A 50 13.885 -8.121 -11.494 1.00 0.00 C ATOM 789 CG PRO A 50 14.621 -9.394 -11.147 1.00 0.00 C ATOM 790 CD PRO A 50 13.955 -9.942 -9.884 1.00 0.00 C ATOM 0 HA PRO A 50 11.840 -7.476 -10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.907 -7.927 -12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.332 -7.256 -11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.559 -10.114 -11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.679 -9.197 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.722 -11.002 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.603 -9.838 -9.014 1.00 0.00 H new ATOM 798 N HIS A 51 11.139 -10.395 -11.593 1.00 0.00 N ATOM 799 CA HIS A 51 10.476 -11.367 -12.480 1.00 0.00 C ATOM 800 C HIS A 51 8.982 -11.038 -12.642 1.00 0.00 C ATOM 801 O HIS A 51 8.188 -11.239 -11.710 1.00 0.00 O ATOM 802 CB HIS A 51 10.650 -12.814 -11.933 1.00 0.00 C ATOM 803 CG HIS A 51 12.068 -13.323 -11.902 1.00 0.00 C ATOM 804 ND1 HIS A 51 12.466 -14.389 -11.126 1.00 0.00 N ATOM 805 CD2 HIS A 51 13.168 -12.959 -12.612 1.00 0.00 C ATOM 806 CE1 HIS A 51 13.732 -14.658 -11.361 1.00 0.00 C ATOM 807 NE2 HIS A 51 14.181 -13.804 -12.253 1.00 0.00 N ATOM 0 H HIS A 51 11.200 -10.705 -10.623 1.00 0.00 H new ATOM 0 HA HIS A 51 10.949 -11.302 -13.460 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.245 -12.854 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.052 -13.490 -12.543 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.230 -12.152 -13.327 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.306 -15.448 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.133 -13.776 -12.619 1.00 0.00 H new ATOM 816 N PHE A 52 8.614 -10.511 -13.821 1.00 0.00 N ATOM 817 CA PHE A 52 7.212 -10.285 -14.190 1.00 0.00 C ATOM 818 C PHE A 52 6.877 -11.167 -15.410 1.00 0.00 C ATOM 819 O PHE A 52 6.839 -10.706 -16.555 1.00 0.00 O ATOM 820 CB PHE A 52 6.945 -8.772 -14.451 1.00 0.00 C ATOM 821 CG PHE A 52 5.457 -8.412 -14.554 1.00 0.00 C ATOM 822 CD1 PHE A 52 4.672 -8.316 -13.401 1.00 0.00 C ATOM 823 CD2 PHE A 52 4.840 -8.196 -15.789 1.00 0.00 C ATOM 824 CE1 PHE A 52 3.333 -7.989 -13.478 1.00 0.00 C ATOM 825 CE2 PHE A 52 3.503 -7.872 -15.862 1.00 0.00 C ATOM 826 CZ PHE A 52 2.747 -7.780 -14.711 1.00 0.00 C ATOM 0 H PHE A 52 9.280 -10.231 -14.541 1.00 0.00 H new ATOM 0 HA PHE A 52 6.554 -10.569 -13.369 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.395 -8.190 -13.647 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.444 -8.479 -15.374 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.120 -8.500 -12.436 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.418 -8.284 -16.697 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.745 -7.897 -12.577 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.045 -7.689 -16.823 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.695 -7.544 -14.775 1.00 0.00 H new ATOM 836 N VAL A 53 6.715 -12.469 -15.137 1.00 0.00 N ATOM 837 CA VAL A 53 6.332 -13.492 -16.138 1.00 0.00 C ATOM 838 C VAL A 53 5.764 -14.729 -15.384 1.00 0.00 C ATOM 839 O VAL A 53 5.644 -15.830 -15.919 1.00 0.00 O ATOM 840 CB VAL A 53 7.576 -13.873 -17.051 1.00 0.00 C ATOM 841 CG1 VAL A 53 8.673 -14.632 -16.259 1.00 0.00 C ATOM 842 CG2 VAL A 53 7.151 -14.648 -18.326 1.00 0.00 C ATOM 0 H VAL A 53 6.847 -12.854 -14.202 1.00 0.00 H new ATOM 0 HA VAL A 53 5.563 -13.101 -16.804 1.00 0.00 H new ATOM 0 HB VAL A 53 8.015 -12.932 -17.382 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.503 -14.871 -16.924 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.032 -14.005 -15.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.257 -15.554 -15.853 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.034 -14.887 -18.918 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.646 -15.571 -18.040 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.473 -14.032 -18.917 1.00 0.00 H new ATOM 852 N ARG A 54 5.358 -14.481 -14.130 1.00 0.00 N ATOM 853 CA ARG A 54 5.015 -15.515 -13.137 1.00 0.00 C ATOM 854 C ARG A 54 3.677 -15.190 -12.459 1.00 0.00 C ATOM 855 O ARG A 54 3.059 -14.163 -12.749 1.00 0.00 O ATOM 856 CB ARG A 54 6.136 -15.570 -12.060 1.00 0.00 C ATOM 857 CG ARG A 54 6.453 -14.197 -11.399 1.00 0.00 C ATOM 858 CD ARG A 54 7.319 -14.327 -10.136 1.00 0.00 C ATOM 859 NE ARG A 54 6.591 -15.033 -9.066 1.00 0.00 N ATOM 860 CZ ARG A 54 7.145 -15.711 -8.052 1.00 0.00 C ATOM 861 NH1 ARG A 54 8.464 -15.855 -7.947 1.00 0.00 N ATOM 862 NH2 ARG A 54 6.357 -16.258 -7.137 1.00 0.00 N ATOM 0 H ARG A 54 5.256 -13.533 -13.767 1.00 0.00 H new ATOM 0 HA ARG A 54 4.926 -16.477 -13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.843 -16.276 -11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.046 -15.959 -12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.966 -13.562 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.518 -13.698 -11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.236 -14.866 -10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.612 -13.336 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 54 5.572 -15.002 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.079 -15.444 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.859 -16.376 -7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.344 -16.159 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.763 -16.777 -6.359 1.00 0.00 H new ATOM 876 N ARG A 55 3.229 -16.096 -11.567 1.00 0.00 N ATOM 877 CA ARG A 55 2.150 -15.801 -10.609 1.00 0.00 C ATOM 878 C ARG A 55 2.662 -14.731 -9.639 1.00 0.00 C ATOM 879 O ARG A 55 3.602 -14.984 -8.873 1.00 0.00 O ATOM 880 CB ARG A 55 1.717 -17.082 -9.831 1.00 0.00 C ATOM 881 CG ARG A 55 0.600 -16.883 -8.770 1.00 0.00 C ATOM 882 CD ARG A 55 -0.709 -16.331 -9.360 1.00 0.00 C ATOM 883 NE ARG A 55 -1.763 -16.205 -8.329 1.00 0.00 N ATOM 884 CZ ARG A 55 -2.659 -15.196 -8.226 1.00 0.00 C ATOM 885 NH1 ARG A 55 -2.609 -14.159 -9.048 1.00 0.00 N ATOM 886 NH2 ARG A 55 -3.611 -15.243 -7.298 1.00 0.00 N ATOM 0 H ARG A 55 3.602 -17.043 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 55 1.272 -15.441 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.378 -17.825 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.594 -17.496 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.397 -17.837 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.959 -16.201 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.523 -15.356 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.056 -16.990 -10.156 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.819 -16.947 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.889 -14.114 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.290 -13.405 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.666 -16.040 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.286 -14.482 -7.221 1.00 0.00 H new ATOM 900 N ASN A 56 2.084 -13.529 -9.732 1.00 0.00 N ATOM 901 CA ASN A 56 2.444 -12.398 -8.871 1.00 0.00 C ATOM 902 C ASN A 56 2.051 -12.695 -7.406 1.00 0.00 C ATOM 903 O ASN A 56 0.919 -12.426 -6.981 1.00 0.00 O ATOM 904 CB ASN A 56 1.773 -11.100 -9.383 1.00 0.00 C ATOM 905 CG ASN A 56 2.325 -10.637 -10.739 1.00 0.00 C ATOM 906 OD1 ASN A 56 3.308 -9.907 -10.801 1.00 0.00 O ATOM 907 ND2 ASN A 56 1.689 -11.050 -11.825 1.00 0.00 N ATOM 0 H ASN A 56 1.352 -13.313 -10.408 1.00 0.00 H new ATOM 0 HA ASN A 56 3.524 -12.253 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.699 -11.262 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.917 -10.308 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.014 -10.761 -12.747 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.874 -11.657 -11.739 1.00 0.00 H new ATOM 914 N ILE A 57 2.987 -13.315 -6.668 1.00 0.00 N ATOM 915 CA ILE A 57 2.794 -13.688 -5.271 1.00 0.00 C ATOM 916 C ILE A 57 3.301 -12.542 -4.388 1.00 0.00 C ATOM 917 O ILE A 57 4.511 -12.385 -4.169 1.00 0.00 O ATOM 918 CB ILE A 57 3.522 -15.041 -4.929 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.945 -16.190 -5.820 1.00 0.00 C ATOM 920 CG2 ILE A 57 3.384 -15.387 -3.421 1.00 0.00 C ATOM 921 CD1 ILE A 57 3.586 -17.545 -5.621 1.00 0.00 C ATOM 0 H ILE A 57 3.904 -13.570 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 57 1.733 -13.853 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 57 4.585 -14.928 -5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.877 -16.279 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.053 -15.905 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.897 -16.327 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.829 -14.592 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.329 -15.486 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.116 -18.271 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.650 -17.481 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.455 -17.861 -4.586 1.00 0.00 H new ATOM 933 N ILE A 58 2.361 -11.695 -3.978 1.00 0.00 N ATOM 934 CA ILE A 58 2.594 -10.648 -2.989 1.00 0.00 C ATOM 935 C ILE A 58 2.495 -11.283 -1.593 1.00 0.00 C ATOM 936 O ILE A 58 1.672 -12.181 -1.386 1.00 0.00 O ATOM 937 CB ILE A 58 1.525 -9.503 -3.141 1.00 0.00 C ATOM 938 CG1 ILE A 58 1.493 -8.975 -4.611 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.794 -8.360 -2.143 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.429 -7.929 -4.911 1.00 0.00 C ATOM 0 H ILE A 58 1.403 -11.717 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 58 3.580 -10.208 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 58 0.544 -9.918 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.469 -8.552 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.342 -9.823 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.041 -7.582 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.748 -8.747 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.783 -7.941 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.495 -7.632 -5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.558 -8.347 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.587 -7.057 -4.276 1.00 0.00 H new ATOM 952 N THR A 59 3.340 -10.841 -0.652 1.00 0.00 N ATOM 953 CA THR A 59 3.321 -11.311 0.746 1.00 0.00 C ATOM 954 C THR A 59 3.042 -10.136 1.697 1.00 0.00 C ATOM 955 O THR A 59 3.082 -8.967 1.281 1.00 0.00 O ATOM 956 CB THR A 59 4.677 -12.006 1.120 1.00 0.00 C ATOM 957 OG1 THR A 59 5.768 -11.097 0.957 1.00 0.00 O ATOM 958 CG2 THR A 59 4.938 -13.254 0.264 1.00 0.00 C ATOM 0 H THR A 59 4.061 -10.144 -0.837 1.00 0.00 H new ATOM 0 HA THR A 59 2.523 -12.046 0.850 1.00 0.00 H new ATOM 0 HB THR A 59 4.598 -12.311 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.606 -11.545 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.887 -13.704 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.134 -13.974 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.979 -12.972 -0.788 1.00 0.00 H new ATOM 966 N ARG A 60 2.718 -10.449 2.966 1.00 0.00 N ATOM 967 CA ARG A 60 2.601 -9.437 4.024 1.00 0.00 C ATOM 968 C ARG A 60 4.018 -8.933 4.379 1.00 0.00 C ATOM 969 O ARG A 60 4.864 -9.705 4.848 1.00 0.00 O ATOM 970 CB ARG A 60 1.868 -10.008 5.272 1.00 0.00 C ATOM 971 CG ARG A 60 1.819 -9.041 6.482 1.00 0.00 C ATOM 972 CD ARG A 60 1.090 -9.629 7.707 1.00 0.00 C ATOM 973 NE ARG A 60 -0.379 -9.561 7.586 1.00 0.00 N ATOM 974 CZ ARG A 60 -1.215 -10.608 7.490 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.744 -11.836 7.293 1.00 0.00 N ATOM 976 NH2 ARG A 60 -2.523 -10.408 7.558 1.00 0.00 N ATOM 0 H ARG A 60 2.532 -11.401 3.281 1.00 0.00 H new ATOM 0 HA ARG A 60 1.999 -8.601 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.848 -10.271 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.362 -10.930 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.837 -8.776 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.322 -8.119 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.391 -10.668 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.401 -9.091 8.602 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.799 -8.632 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.261 -11.990 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.388 -12.624 7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.889 -9.464 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.164 -11.198 7.486 1.00 0.00 H new ATOM 990 N GLY A 61 4.259 -7.641 4.112 1.00 0.00 N ATOM 991 CA GLY A 61 5.574 -7.021 4.276 1.00 0.00 C ATOM 992 C GLY A 61 6.315 -6.868 2.960 1.00 0.00 C ATOM 993 O GLY A 61 7.457 -6.406 2.953 1.00 0.00 O ATOM 0 H GLY A 61 3.542 -6.998 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.455 -6.041 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.173 -7.624 4.958 1.00 0.00 H new ATOM 997 N ALA A 62 5.663 -7.263 1.848 1.00 0.00 N ATOM 998 CA ALA A 62 6.219 -7.098 0.494 1.00 0.00 C ATOM 999 C ALA A 62 5.908 -5.697 -0.035 1.00 0.00 C ATOM 1000 O ALA A 62 4.764 -5.223 0.085 1.00 0.00 O ATOM 1001 CB ALA A 62 5.663 -8.159 -0.469 1.00 0.00 C ATOM 0 H ALA A 62 4.743 -7.702 1.865 1.00 0.00 H new ATOM 0 HA ALA A 62 7.299 -7.228 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.092 -8.011 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.924 -9.153 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.578 -8.066 -0.525 1.00 0.00 H new ATOM 1007 N VAL A 63 6.931 -5.032 -0.588 1.00 0.00 N ATOM 1008 CA VAL A 63 6.764 -3.736 -1.232 1.00 0.00 C ATOM 1009 C VAL A 63 6.197 -3.936 -2.654 1.00 0.00 C ATOM 1010 O VAL A 63 6.732 -4.711 -3.451 1.00 0.00 O ATOM 1011 CB VAL A 63 8.117 -2.935 -1.273 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.947 -1.536 -1.906 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.727 -2.813 0.138 1.00 0.00 C ATOM 0 H VAL A 63 7.890 -5.380 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 63 6.060 -3.145 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 63 8.801 -3.501 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.907 -1.020 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.585 -1.641 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.229 -0.958 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.662 -2.255 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.030 -2.289 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.921 -3.808 0.538 1.00 0.00 H new ATOM 1023 N VAL A 64 5.083 -3.261 -2.932 1.00 0.00 N ATOM 1024 CA VAL A 64 4.436 -3.257 -4.249 1.00 0.00 C ATOM 1025 C VAL A 64 4.473 -1.836 -4.820 1.00 0.00 C ATOM 1026 O VAL A 64 4.436 -0.848 -4.063 1.00 0.00 O ATOM 1027 CB VAL A 64 2.950 -3.781 -4.184 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.918 -5.283 -3.833 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.084 -2.966 -3.187 1.00 0.00 C ATOM 0 H VAL A 64 4.595 -2.692 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 64 4.985 -3.938 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 64 2.516 -3.642 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.884 -5.625 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.457 -5.846 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.390 -5.440 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.069 -3.364 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.513 -3.040 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.061 -1.921 -3.495 1.00 0.00 H new ATOM 1039 N GLU A 65 4.566 -1.743 -6.152 1.00 0.00 N ATOM 1040 CA GLU A 65 4.623 -0.463 -6.856 1.00 0.00 C ATOM 1041 C GLU A 65 3.187 0.014 -7.060 1.00 0.00 C ATOM 1042 O GLU A 65 2.374 -0.723 -7.618 1.00 0.00 O ATOM 1043 CB GLU A 65 5.348 -0.621 -8.213 1.00 0.00 C ATOM 1044 CG GLU A 65 5.493 0.701 -8.998 1.00 0.00 C ATOM 1045 CD GLU A 65 6.147 0.519 -10.373 1.00 0.00 C ATOM 1046 OE1 GLU A 65 5.515 -0.090 -11.254 1.00 0.00 O ATOM 1047 OE2 GLU A 65 7.291 0.980 -10.579 1.00 0.00 O ATOM 0 H GLU A 65 4.604 -2.554 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 65 5.184 0.268 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.339 -1.040 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.802 -1.339 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.508 1.149 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.086 1.402 -8.411 1.00 0.00 H new ATOM 1054 N THR A 66 2.858 1.218 -6.563 1.00 0.00 N ATOM 1055 CA THR A 66 1.498 1.770 -6.659 1.00 0.00 C ATOM 1056 C THR A 66 1.548 3.183 -7.233 1.00 0.00 C ATOM 1057 O THR A 66 2.633 3.724 -7.491 1.00 0.00 O ATOM 1058 CB THR A 66 0.779 1.793 -5.266 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.443 2.717 -4.388 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.723 0.400 -4.608 1.00 0.00 C ATOM 0 H THR A 66 3.521 1.830 -6.088 1.00 0.00 H new ATOM 0 HA THR A 66 0.926 1.121 -7.322 1.00 0.00 H new ATOM 0 HB THR A 66 -0.248 2.113 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.390 2.476 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.215 0.472 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.178 -0.287 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.736 0.028 -4.456 1.00 0.00 H new ATOM 1068 N ASN A 67 0.353 3.769 -7.427 1.00 0.00 N ATOM 1069 CA ASN A 67 0.185 5.143 -7.927 1.00 0.00 C ATOM 1070 C ASN A 67 0.725 6.175 -6.922 1.00 0.00 C ATOM 1071 O ASN A 67 1.085 7.291 -7.309 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.310 5.427 -8.224 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.924 4.494 -9.271 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.548 3.326 -9.387 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.868 5.002 -10.043 1.00 0.00 N ATOM 0 H ASN A 67 -0.531 3.296 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 67 0.759 5.235 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.877 5.340 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.413 6.457 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.307 4.424 -10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.158 5.973 -9.923 1.00 0.00 H new ATOM 1082 N LEU A 68 0.800 5.791 -5.632 1.00 0.00 N ATOM 1083 CA LEU A 68 1.278 6.674 -4.557 1.00 0.00 C ATOM 1084 C LEU A 68 2.785 6.473 -4.312 1.00 0.00 C ATOM 1085 O LEU A 68 3.505 7.449 -4.058 1.00 0.00 O ATOM 1086 CB LEU A 68 0.444 6.441 -3.270 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.047 6.927 -3.344 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.832 6.573 -2.060 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.129 8.450 -3.632 1.00 0.00 C ATOM 0 H LEU A 68 0.531 4.861 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 68 1.141 7.712 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.451 5.376 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.935 6.950 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.514 6.396 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.859 6.927 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.832 5.492 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.360 7.050 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.174 8.756 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.625 8.998 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.646 8.667 -4.585 1.00 0.00 H new ATOM 1101 N GLY A 69 3.260 5.215 -4.385 1.00 0.00 N ATOM 1102 CA GLY A 69 4.700 4.929 -4.294 1.00 0.00 C ATOM 1103 C GLY A 69 5.002 3.545 -3.735 1.00 0.00 C ATOM 1104 O GLY A 69 4.267 2.582 -4.008 1.00 0.00 O ATOM 0 H GLY A 69 2.673 4.390 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.145 5.019 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.174 5.680 -3.662 1.00 0.00 H new ATOM 1108 N ASN A 70 6.127 3.441 -2.998 1.00 0.00 N ATOM 1109 CA ASN A 70 6.555 2.204 -2.314 1.00 0.00 C ATOM 1110 C ASN A 70 5.583 1.893 -1.161 1.00 0.00 C ATOM 1111 O ASN A 70 5.544 2.625 -0.180 1.00 0.00 O ATOM 1112 CB ASN A 70 8.004 2.374 -1.744 1.00 0.00 C ATOM 1113 CG ASN A 70 9.075 2.732 -2.791 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.990 3.512 -2.515 1.00 0.00 O ATOM 1115 ND2 ASN A 70 9.007 2.159 -3.980 1.00 0.00 N ATOM 0 H ASN A 70 6.770 4.221 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 70 6.551 1.383 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.989 3.151 -0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.295 1.447 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.717 2.360 -4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.244 1.516 -4.193 1.00 0.00 H new ATOM 1122 N VAL A 71 4.756 0.842 -1.296 1.00 0.00 N ATOM 1123 CA VAL A 71 3.769 0.462 -0.257 1.00 0.00 C ATOM 1124 C VAL A 71 4.043 -0.962 0.245 1.00 0.00 C ATOM 1125 O VAL A 71 4.290 -1.849 -0.555 1.00 0.00 O ATOM 1126 CB VAL A 71 2.304 0.546 -0.842 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.236 0.104 0.179 1.00 0.00 C ATOM 1128 CG2 VAL A 71 2.006 1.966 -1.360 1.00 0.00 C ATOM 0 H VAL A 71 4.748 0.235 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 71 3.862 1.156 0.578 1.00 0.00 H new ATOM 0 HB VAL A 71 2.254 -0.152 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.247 0.181 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.421 -0.929 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.284 0.747 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.992 2.003 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.100 2.679 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.715 2.222 -2.147 1.00 0.00 H new ATOM 1138 N ARG A 72 3.954 -1.182 1.572 1.00 0.00 N ATOM 1139 CA ARG A 72 4.080 -2.532 2.169 1.00 0.00 C ATOM 1140 C ARG A 72 2.719 -3.048 2.598 1.00 0.00 C ATOM 1141 O ARG A 72 1.997 -2.366 3.321 1.00 0.00 O ATOM 1142 CB ARG A 72 5.067 -2.567 3.366 1.00 0.00 C ATOM 1143 CG ARG A 72 6.502 -2.967 2.959 1.00 0.00 C ATOM 1144 CD ARG A 72 7.430 -3.236 4.153 1.00 0.00 C ATOM 1145 NE ARG A 72 8.763 -3.666 3.687 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.893 -2.955 3.794 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.918 -1.824 4.477 1.00 0.00 N ATOM 1148 NH2 ARG A 72 11.002 -3.397 3.228 1.00 0.00 N ATOM 0 H ARG A 72 3.795 -0.441 2.255 1.00 0.00 H new ATOM 0 HA ARG A 72 4.490 -3.183 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.091 -1.585 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.698 -3.271 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.458 -3.860 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.932 -2.173 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.524 -2.334 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.996 -4.005 4.792 1.00 0.00 H new ATOM 0 HE ARG A 72 8.829 -4.583 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.070 -1.483 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.785 -1.292 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.996 -4.277 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.865 -2.858 3.307 1.00 0.00 H new ATOM 1162 N VAL A 73 2.417 -4.276 2.172 1.00 0.00 N ATOM 1163 CA VAL A 73 1.149 -4.936 2.452 1.00 0.00 C ATOM 1164 C VAL A 73 1.075 -5.342 3.938 1.00 0.00 C ATOM 1165 O VAL A 73 1.947 -6.050 4.447 1.00 0.00 O ATOM 1166 CB VAL A 73 0.968 -6.171 1.507 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.303 -6.979 1.849 1.00 0.00 C ATOM 1168 CG2 VAL A 73 0.961 -5.699 0.034 1.00 0.00 C ATOM 0 H VAL A 73 3.057 -4.844 1.616 1.00 0.00 H new ATOM 0 HA VAL A 73 0.331 -4.243 2.258 1.00 0.00 H new ATOM 0 HB VAL A 73 1.810 -6.846 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.389 -7.826 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.238 -7.342 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.180 -6.340 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.835 -6.559 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.138 -5.001 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.905 -5.204 -0.194 1.00 0.00 H new ATOM 1178 N THR A 74 0.033 -4.857 4.617 1.00 0.00 N ATOM 1179 CA THR A 74 -0.161 -5.037 6.066 1.00 0.00 C ATOM 1180 C THR A 74 -1.178 -6.149 6.352 1.00 0.00 C ATOM 1181 O THR A 74 -1.200 -6.712 7.450 1.00 0.00 O ATOM 1182 CB THR A 74 -0.646 -3.701 6.692 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.832 -3.259 6.002 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.443 -2.612 6.614 1.00 0.00 C ATOM 0 H THR A 74 -0.713 -4.320 4.174 1.00 0.00 H new ATOM 0 HA THR A 74 0.791 -5.327 6.511 1.00 0.00 H new ATOM 0 HB THR A 74 -0.867 -3.873 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.144 -2.417 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.069 -1.691 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.329 -2.944 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.701 -2.430 5.571 1.00 0.00 H new ATOM 1192 N SER A 75 -2.032 -6.432 5.359 1.00 0.00 N ATOM 1193 CA SER A 75 -3.091 -7.448 5.457 1.00 0.00 C ATOM 1194 C SER A 75 -2.700 -8.706 4.656 1.00 0.00 C ATOM 1195 O SER A 75 -1.555 -8.819 4.195 1.00 0.00 O ATOM 1196 CB SER A 75 -4.413 -6.831 4.937 1.00 0.00 C ATOM 1197 OG SER A 75 -5.523 -7.673 5.173 1.00 0.00 O ATOM 0 H SER A 75 -2.008 -5.958 4.456 1.00 0.00 H new ATOM 0 HA SER A 75 -3.226 -7.755 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.579 -5.869 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.326 -6.638 3.868 1.00 0.00 H new ATOM 0 HG SER A 75 -6.336 -7.246 4.832 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.635 -9.673 4.546 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.497 -10.809 3.623 1.00 0.00 C ATOM 1205 C ARG A 76 -3.750 -10.308 2.185 1.00 0.00 C ATOM 1206 O ARG A 76 -4.815 -9.732 1.929 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.477 -11.965 3.973 1.00 0.00 C ATOM 1208 CG ARG A 76 -4.162 -12.701 5.297 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.988 -13.990 5.470 1.00 0.00 C ATOM 1210 NE ARG A 76 -4.537 -14.795 6.618 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.859 -16.088 6.833 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.684 -16.736 6.016 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -4.350 -16.728 7.882 1.00 0.00 N ATOM 0 H ARG A 76 -4.497 -9.685 5.091 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.488 -11.211 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.488 -11.562 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.468 -12.690 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.101 -12.947 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.359 -12.033 6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.038 -13.730 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.919 -14.588 4.561 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.935 -14.340 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.085 -16.256 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.916 -17.713 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.720 -16.242 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.590 -17.705 8.049 1.00 0.00 H new ATOM 1227 N PRO A 77 -2.753 -10.458 1.247 1.00 0.00 N ATOM 1228 CA PRO A 77 -2.901 -10.045 -0.172 1.00 0.00 C ATOM 1229 C PRO A 77 -4.140 -10.668 -0.856 1.00 0.00 C ATOM 1230 O PRO A 77 -4.151 -11.856 -1.202 1.00 0.00 O ATOM 1231 CB PRO A 77 -1.576 -10.512 -0.833 1.00 0.00 C ATOM 1232 CG PRO A 77 -0.600 -10.518 0.306 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.389 -10.997 1.505 1.00 0.00 C ATOM 0 HA PRO A 77 -3.067 -8.972 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.677 -11.501 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.263 -9.834 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.242 -11.179 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.189 -9.523 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.392 -12.085 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.975 -10.616 2.439 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.197 -9.845 -0.988 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.444 -10.254 -1.621 1.00 0.00 C ATOM 1243 C GLY A 78 -7.360 -11.002 -0.664 1.00 0.00 C ATOM 1244 O GLY A 78 -7.886 -12.062 -1.012 1.00 0.00 O ATOM 0 H GLY A 78 -5.201 -8.881 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.961 -9.373 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.222 -10.889 -2.479 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.546 -10.436 0.548 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.408 -11.023 1.600 1.00 0.00 C ATOM 1250 C GLN A 79 -9.881 -11.038 1.142 1.00 0.00 C ATOM 1251 O GLN A 79 -10.509 -12.102 1.057 1.00 0.00 O ATOM 1252 CB GLN A 79 -8.235 -10.240 2.941 1.00 0.00 C ATOM 1253 CG GLN A 79 -9.128 -10.720 4.118 1.00 0.00 C ATOM 1254 CD GLN A 79 -8.907 -12.185 4.530 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -7.817 -12.740 4.382 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -9.945 -12.827 5.051 1.00 0.00 N ATOM 0 H GLN A 79 -7.104 -9.560 0.826 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.103 -12.055 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.192 -10.308 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.445 -9.187 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.943 -10.081 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.174 -10.587 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.838 -12.346 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.850 -13.801 5.339 1.00 0.00 H new ATOM 1265 N ASP A 80 -10.407 -9.846 0.822 1.00 0.00 N ATOM 1266 CA ASP A 80 -11.772 -9.673 0.263 1.00 0.00 C ATOM 1267 C ASP A 80 -11.700 -9.528 -1.267 1.00 0.00 C ATOM 1268 O ASP A 80 -12.656 -9.082 -1.907 1.00 0.00 O ATOM 1269 CB ASP A 80 -12.454 -8.425 0.899 1.00 0.00 C ATOM 1270 CG ASP A 80 -12.542 -8.500 2.435 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -13.507 -9.083 2.972 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -11.642 -7.966 3.114 1.00 0.00 O ATOM 0 H ASP A 80 -9.903 -8.968 0.941 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.369 -10.554 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.898 -7.531 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.458 -8.319 0.488 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.544 -9.918 -1.844 1.00 0.00 N ATOM 1278 CA GLY A 81 -10.252 -9.712 -3.265 1.00 0.00 C ATOM 1279 C GLY A 81 -9.355 -8.501 -3.461 1.00 0.00 C ATOM 1280 O GLY A 81 -8.657 -8.383 -4.475 1.00 0.00 O ATOM 0 H GLY A 81 -9.793 -10.383 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.768 -10.599 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.182 -9.574 -3.816 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.354 -7.612 -2.446 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.581 -6.361 -2.434 1.00 0.00 C ATOM 1286 C VAL A 82 -7.458 -6.487 -1.382 1.00 0.00 C ATOM 1287 O VAL A 82 -7.529 -7.334 -0.482 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.528 -5.132 -2.134 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.143 -5.198 -0.721 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.835 -3.777 -2.389 1.00 0.00 C ATOM 0 H VAL A 82 -9.902 -7.750 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.131 -6.186 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.351 -5.205 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.786 -4.332 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.732 -6.110 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.346 -5.199 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.529 -2.966 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.959 -3.690 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.527 -3.716 -3.433 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.410 -5.677 -1.524 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.234 -5.700 -0.635 1.00 0.00 C ATOM 1302 C ILE A 83 -5.198 -4.416 0.218 1.00 0.00 C ATOM 1303 O ILE A 83 -5.759 -3.399 -0.180 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.918 -5.863 -1.493 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.043 -7.113 -2.440 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.667 -5.966 -0.603 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -2.760 -7.588 -3.109 1.00 0.00 C ATOM 0 H ILE A 83 -6.346 -4.978 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.301 -6.551 0.042 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.801 -4.969 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.453 -7.941 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.768 -6.880 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.782 -6.077 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.574 -5.062 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.758 -6.832 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.975 -8.454 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.353 -6.787 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.032 -7.864 -2.346 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.614 -4.490 1.433 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.361 -3.295 2.283 1.00 0.00 C ATOM 1321 C ASN A 84 -2.852 -3.144 2.515 1.00 0.00 C ATOM 1322 O ASN A 84 -2.135 -4.149 2.587 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.087 -3.412 3.648 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.604 -3.544 3.528 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.226 -2.973 2.630 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.220 -4.295 4.434 1.00 0.00 N ATOM 0 H ASN A 84 -4.306 -5.367 1.853 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.749 -2.418 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.697 -4.278 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.854 -2.533 4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.233 -4.411 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.680 -4.756 5.166 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.385 -1.887 2.650 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.961 -1.603 2.862 1.00 0.00 C ATOM 1335 C GLY A 85 -0.705 -0.207 3.421 1.00 0.00 C ATOM 1336 O GLY A 85 -1.650 0.544 3.667 1.00 0.00 O ATOM 0 H GLY A 85 -2.976 -1.057 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.547 -2.343 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.430 -1.712 1.916 1.00 0.00 H new ATOM 1340 N VAL A 86 0.586 0.137 3.646 1.00 0.00 N ATOM 1341 CA VAL A 86 1.003 1.453 4.184 1.00 0.00 C ATOM 1342 C VAL A 86 2.018 2.146 3.253 1.00 0.00 C ATOM 1343 O VAL A 86 2.947 1.508 2.746 1.00 0.00 O ATOM 1344 CB VAL A 86 1.602 1.351 5.646 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.496 1.053 6.680 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.742 0.302 5.721 1.00 0.00 C ATOM 0 H VAL A 86 1.368 -0.491 3.459 1.00 0.00 H new ATOM 0 HA VAL A 86 0.097 2.057 4.236 1.00 0.00 H new ATOM 0 HB VAL A 86 2.035 2.320 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.936 0.988 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.244 1.853 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.014 0.107 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.130 0.258 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.355 -0.677 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.543 0.586 5.039 1.00 0.00 H new ATOM 1356 N LEU A 87 1.823 3.466 3.041 1.00 0.00 N ATOM 1357 CA LEU A 87 2.662 4.276 2.138 1.00 0.00 C ATOM 1358 C LEU A 87 3.991 4.653 2.812 1.00 0.00 C ATOM 1359 O LEU A 87 4.044 5.520 3.690 1.00 0.00 O ATOM 1360 CB LEU A 87 1.917 5.565 1.701 1.00 0.00 C ATOM 1361 CG LEU A 87 2.683 6.494 0.697 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.051 5.742 -0.606 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.872 7.772 0.394 1.00 0.00 C ATOM 0 H LEU A 87 1.079 3.998 3.492 1.00 0.00 H new ATOM 0 HA LEU A 87 2.873 3.672 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.969 5.277 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.680 6.144 2.593 1.00 0.00 H new ATOM 0 HG LEU A 87 3.616 6.795 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.581 6.417 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.690 4.892 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.141 5.387 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.427 8.398 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.913 7.499 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.703 8.323 1.319 1.00 0.00 H new ATOM 1375 N ILE A 88 5.057 3.997 2.379 1.00 0.00 N ATOM 1376 CA ILE A 88 6.414 4.207 2.898 1.00 0.00 C ATOM 1377 C ILE A 88 7.352 4.582 1.743 1.00 0.00 C ATOM 1378 O ILE A 88 6.904 4.831 0.626 1.00 0.00 O ATOM 1379 CB ILE A 88 6.911 2.917 3.642 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.921 1.685 2.676 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.039 2.633 4.897 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.405 0.402 3.307 1.00 0.00 C ATOM 0 H ILE A 88 5.010 3.290 1.645 1.00 0.00 H new ATOM 0 HA ILE A 88 6.410 5.026 3.617 1.00 0.00 H new ATOM 0 HB ILE A 88 7.934 3.091 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.912 1.530 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.554 1.916 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.402 1.735 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.100 3.479 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.002 2.486 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.379 -0.399 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.427 0.535 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.759 0.143 4.146 1.00 0.00 H new ATOM 1394 N ARG A 89 8.657 4.664 2.029 1.00 0.00 N ATOM 1395 CA ARG A 89 9.689 5.030 1.039 1.00 0.00 C ATOM 1396 C ARG A 89 10.826 4.012 1.178 1.00 0.00 C ATOM 1397 O ARG A 89 11.488 3.983 2.211 1.00 0.00 O ATOM 1398 CB ARG A 89 10.237 6.483 1.272 1.00 0.00 C ATOM 1399 CG ARG A 89 9.316 7.658 0.832 1.00 0.00 C ATOM 1400 CD ARG A 89 8.102 7.895 1.751 1.00 0.00 C ATOM 1401 NE ARG A 89 8.487 8.201 3.142 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.634 8.295 4.182 1.00 0.00 C ATOM 1403 NH1 ARG A 89 6.337 8.019 4.043 1.00 0.00 N ATOM 1404 NH2 ARG A 89 8.091 8.663 5.363 1.00 0.00 N ATOM 0 H ARG A 89 9.034 4.478 2.958 1.00 0.00 H new ATOM 0 HA ARG A 89 9.258 5.016 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.452 6.599 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.185 6.578 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.909 8.572 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.958 7.464 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.507 8.718 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.467 7.009 1.741 1.00 0.00 H new ATOM 0 HE ARG A 89 9.477 8.354 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.972 7.730 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.710 8.097 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.082 8.874 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.454 8.737 6.156 1.00 0.00 H new ATOM 1418 N GLU A 90 11.013 3.140 0.171 1.00 0.00 N ATOM 1419 CA GLU A 90 12.063 2.090 0.194 1.00 0.00 C ATOM 1420 C GLU A 90 13.080 2.339 -0.918 1.00 0.00 C ATOM 1421 O GLU A 90 14.265 2.564 -0.654 1.00 0.00 O ATOM 1422 CB GLU A 90 11.431 0.674 0.057 1.00 0.00 C ATOM 1423 CG GLU A 90 10.445 0.314 1.185 1.00 0.00 C ATOM 1424 CD GLU A 90 11.051 0.453 2.597 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.913 -0.371 2.973 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.676 1.386 3.338 1.00 0.00 O ATOM 0 H GLU A 90 10.448 3.138 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 90 12.579 2.136 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.912 0.611 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.229 -0.068 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.568 0.957 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.102 -0.711 1.044 1.00 0.00 H new ATOM 1433 N LEU A 91 12.612 2.327 -2.170 1.00 0.00 N ATOM 1434 CA LEU A 91 13.466 2.572 -3.346 1.00 0.00 C ATOM 1435 C LEU A 91 13.851 4.059 -3.424 1.00 0.00 C ATOM 1436 O LEU A 91 14.910 4.409 -3.956 1.00 0.00 O ATOM 1437 CB LEU A 91 12.752 2.101 -4.637 1.00 0.00 C ATOM 1438 CG LEU A 91 12.227 0.623 -4.631 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.603 0.242 -5.988 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.334 -0.384 -4.235 1.00 0.00 C ATOM 0 H LEU A 91 11.635 2.148 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 91 14.385 1.995 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.908 2.765 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.441 2.218 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 91 11.447 0.569 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.249 -0.788 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.765 0.905 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.353 0.339 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.926 -1.395 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.157 -0.318 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.699 -0.149 -3.235 1.00 0.00 H new ATOM 1452 N GLU A 92 12.972 4.925 -2.877 1.00 0.00 N ATOM 1453 CA GLU A 92 13.224 6.375 -2.717 1.00 0.00 C ATOM 1454 C GLU A 92 13.202 6.752 -1.219 1.00 0.00 C ATOM 1455 O GLU A 92 12.630 7.773 -0.822 1.00 0.00 O ATOM 1456 CB GLU A 92 12.193 7.196 -3.547 1.00 0.00 C ATOM 1457 CG GLU A 92 12.361 7.053 -5.073 1.00 0.00 C ATOM 1458 CD GLU A 92 11.322 7.850 -5.880 1.00 0.00 C ATOM 1459 OE1 GLU A 92 11.537 9.056 -6.125 1.00 0.00 O ATOM 1460 OE2 GLU A 92 10.282 7.277 -6.270 1.00 0.00 O ATOM 0 H GLU A 92 12.058 4.635 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 92 14.214 6.619 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.187 6.881 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.282 8.249 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.361 7.385 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.288 5.999 -5.342 1.00 0.00 H new ATOM 1467 N HIS A 93 13.873 5.909 -0.401 1.00 0.00 N ATOM 1468 CA HIS A 93 14.018 6.105 1.070 1.00 0.00 C ATOM 1469 C HIS A 93 15.056 7.194 1.406 1.00 0.00 C ATOM 1470 O HIS A 93 15.047 7.726 2.525 1.00 0.00 O ATOM 1471 CB HIS A 93 14.453 4.762 1.726 1.00 0.00 C ATOM 1472 CG HIS A 93 14.566 4.772 3.239 1.00 0.00 C ATOM 1473 ND1 HIS A 93 13.477 4.640 4.074 1.00 0.00 N ATOM 1474 CD2 HIS A 93 15.644 4.880 4.057 1.00 0.00 C ATOM 1475 CE1 HIS A 93 13.879 4.667 5.325 1.00 0.00 C ATOM 1476 NE2 HIS A 93 15.181 4.815 5.343 1.00 0.00 N ATOM 0 H HIS A 93 14.335 5.065 -0.741 1.00 0.00 H new ATOM 0 HA HIS A 93 13.054 6.429 1.461 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.738 3.991 1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 93 15.418 4.472 1.310 1.00 0.00 H new ATOM 0 HD1 HIS A 93 12.509 4.537 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.673 4.995 3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.243 4.581 6.193 1.00 0.00 H new ATOM 1485 N HIS A 94 15.905 7.525 0.406 1.00 0.00 N ATOM 1486 CA HIS A 94 17.191 8.241 0.571 1.00 0.00 C ATOM 1487 C HIS A 94 18.218 7.278 1.188 1.00 0.00 C ATOM 1488 O HIS A 94 17.947 6.640 2.217 1.00 0.00 O ATOM 1489 CB HIS A 94 17.109 9.565 1.400 1.00 0.00 C ATOM 1490 CG HIS A 94 16.274 10.664 0.776 1.00 0.00 C ATOM 1491 ND1 HIS A 94 16.415 11.995 1.097 1.00 0.00 N ATOM 1492 CD2 HIS A 94 15.290 10.618 -0.156 1.00 0.00 C ATOM 1493 CE1 HIS A 94 15.554 12.707 0.398 1.00 0.00 C ATOM 1494 NE2 HIS A 94 14.866 11.895 -0.371 1.00 0.00 N ATOM 0 H HIS A 94 15.708 7.294 -0.568 1.00 0.00 H new ATOM 0 HA HIS A 94 17.498 8.561 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 94 16.701 9.334 2.384 1.00 0.00 H new ATOM 0 HB3 HIS A 94 18.120 9.942 1.555 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.911 9.730 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.434 13.779 0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 94 14.133 12.175 -1.023 1.00 0.00 H new ATOM 1503 N HIS A 95 19.390 7.168 0.542 1.00 0.00 N ATOM 1504 CA HIS A 95 20.475 6.276 0.979 1.00 0.00 C ATOM 1505 C HIS A 95 21.029 6.700 2.350 1.00 0.00 C ATOM 1506 O HIS A 95 20.778 7.814 2.823 1.00 0.00 O ATOM 1507 CB HIS A 95 21.605 6.256 -0.079 1.00 0.00 C ATOM 1508 CG HIS A 95 21.138 5.821 -1.446 1.00 0.00 C ATOM 1509 ND1 HIS A 95 21.243 6.614 -2.569 1.00 0.00 N ATOM 1510 CD2 HIS A 95 20.547 4.668 -1.865 1.00 0.00 C ATOM 1511 CE1 HIS A 95 20.740 5.973 -3.607 1.00 0.00 C ATOM 1512 NE2 HIS A 95 20.313 4.798 -3.206 1.00 0.00 N ATOM 0 H HIS A 95 19.612 7.697 -0.301 1.00 0.00 H new ATOM 0 HA HIS A 95 20.067 5.270 1.082 1.00 0.00 H new ATOM 0 HB2 HIS A 95 22.042 7.252 -0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 95 22.396 5.585 0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 95 20.308 3.811 -1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 95 20.688 6.352 -4.617 1.00 0.00 H new ATOM 0 HE2 HIS A 95 19.876 4.094 -3.801 1.00 0.00 H new ATOM 1521 N HIS A 96 21.825 5.814 2.960 1.00 0.00 N ATOM 1522 CA HIS A 96 22.286 5.967 4.362 1.00 0.00 C ATOM 1523 C HIS A 96 23.527 6.863 4.484 1.00 0.00 C ATOM 1524 O HIS A 96 24.176 6.860 5.540 1.00 0.00 O ATOM 1525 CB HIS A 96 22.549 4.565 4.967 1.00 0.00 C ATOM 1526 CG HIS A 96 21.326 3.672 4.990 1.00 0.00 C ATOM 1527 ND1 HIS A 96 21.380 2.298 4.865 1.00 0.00 N ATOM 1528 CD2 HIS A 96 20.008 3.974 5.107 1.00 0.00 C ATOM 1529 CE1 HIS A 96 20.157 1.809 4.906 1.00 0.00 C ATOM 1530 NE2 HIS A 96 19.308 2.802 5.050 1.00 0.00 N ATOM 0 H HIS A 96 22.172 4.970 2.505 1.00 0.00 H new ATOM 0 HA HIS A 96 21.498 6.469 4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 96 23.336 4.074 4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 96 22.921 4.682 5.985 1.00 0.00 H new ATOM 0 HD2 HIS A 96 19.588 4.962 5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 96 19.895 0.764 4.833 1.00 0.00 H new ATOM 0 HE2 HIS A 96 18.294 2.712 5.109 1.00 0.00 H new ATOM 1539 N HIS A 97 23.814 7.649 3.414 1.00 0.00 N ATOM 1540 CA HIS A 97 24.947 8.595 3.312 1.00 0.00 C ATOM 1541 C HIS A 97 26.271 7.834 3.084 1.00 0.00 C ATOM 1542 O HIS A 97 27.019 8.147 2.161 1.00 0.00 O ATOM 1543 CB HIS A 97 25.020 9.566 4.528 1.00 0.00 C ATOM 1544 CG HIS A 97 26.052 10.661 4.414 1.00 0.00 C ATOM 1545 ND1 HIS A 97 27.113 10.805 5.290 1.00 0.00 N ATOM 1546 CD2 HIS A 97 26.164 11.683 3.530 1.00 0.00 C ATOM 1547 CE1 HIS A 97 27.823 11.858 4.945 1.00 0.00 C ATOM 1548 NE2 HIS A 97 27.270 12.406 3.886 1.00 0.00 N ATOM 0 H HIS A 97 23.240 7.638 2.571 1.00 0.00 H new ATOM 0 HA HIS A 97 24.775 9.227 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 97 24.041 10.024 4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 97 25.229 8.984 5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 97 25.504 11.888 2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 97 28.711 12.212 5.448 1.00 0.00 H new ATOM 0 HE2 HIS A 97 27.611 13.239 3.406 1.00 0.00 H new ATOM 1557 N HIS A 98 26.557 6.850 3.946 1.00 0.00 N ATOM 1558 CA HIS A 98 27.617 5.846 3.723 1.00 0.00 C ATOM 1559 C HIS A 98 26.975 4.441 3.699 1.00 0.00 C ATOM 1560 O HIS A 98 27.016 3.768 2.649 1.00 0.00 O ATOM 1561 CB HIS A 98 28.723 5.939 4.808 1.00 0.00 C ATOM 1562 CG HIS A 98 29.637 7.132 4.654 1.00 0.00 C ATOM 1563 ND1 HIS A 98 30.847 7.074 3.989 1.00 0.00 N ATOM 1564 CD2 HIS A 98 29.503 8.417 5.051 1.00 0.00 C ATOM 1565 CE1 HIS A 98 31.411 8.264 3.996 1.00 0.00 C ATOM 1566 NE2 HIS A 98 30.615 9.098 4.636 1.00 0.00 N ATOM 1567 OXT HIS A 98 26.365 4.049 4.717 1.00 0.00 O ATOM 0 H HIS A 98 26.058 6.723 4.826 1.00 0.00 H new ATOM 0 HA HIS A 98 28.100 6.041 2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 98 28.252 5.980 5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 98 29.322 5.029 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 98 28.669 8.832 5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 98 32.364 8.514 3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 98 30.798 10.089 4.796 1.00 0.00 H new TER 1576 HIS A 98