USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 864 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 94 TYR OH : rot 180:sc= -0.437 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.616) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00288 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.8!) USER MOD Single : A 26 LYS NZ :NH3+ -131:sc= -0.0112 (180deg=-0.789) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 49:sc= 1.23 USER MOD Single : A 37 SER OG : rot -55:sc= 0.418 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-5.2!) USER MOD Single : A 66 TYR OH : rot 0:sc= -1.45 USER MOD Single : A 67 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.8!) USER MOD Single : A 69 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.0017) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.95) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 89 THR OG1 : rot -87:sc= 0.035 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.464) USER MOD Single : A 101 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 103 MET CE :methyl -112:sc= -0.394 (180deg=-4.19!) USER MOD Single : A 105 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -149:sc= -0.53 (180deg=-1.03) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.00205 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.662 23.143 28.566 1.00 0.00 N ATOM 2 CA GLY A 1 0.703 22.679 28.400 1.00 0.00 C ATOM 3 C GLY A 1 0.785 21.392 27.604 1.00 0.00 C ATOM 4 O GLY A 1 0.324 20.344 28.057 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.664 24.025 29.117 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.086 23.317 27.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.216 22.420 29.068 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.287 23.451 27.899 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.153 22.525 29.381 1.00 0.00 H new ATOM 8 N SER A 2 1.372 21.470 26.414 1.00 0.00 N ATOM 9 CA SER A 2 1.508 20.302 25.551 1.00 0.00 C ATOM 10 C SER A 2 2.956 20.121 25.106 1.00 0.00 C ATOM 11 O SER A 2 3.698 21.093 24.960 1.00 0.00 O ATOM 12 CB SER A 2 0.600 20.438 24.328 1.00 0.00 C ATOM 13 OG SER A 2 0.849 21.652 23.640 1.00 0.00 O ATOM 0 H SER A 2 1.761 22.329 26.025 1.00 0.00 H new ATOM 0 HA SER A 2 1.209 19.422 26.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.762 19.596 23.656 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.444 20.401 24.640 1.00 0.00 H new ATOM 0 HG SER A 2 0.257 21.714 22.861 1.00 0.00 H new ATOM 19 N SER A 3 3.352 18.870 24.893 1.00 0.00 N ATOM 20 CA SER A 3 4.712 18.560 24.469 1.00 0.00 C ATOM 21 C SER A 3 4.779 17.177 23.828 1.00 0.00 C ATOM 22 O SER A 3 3.850 16.380 23.948 1.00 0.00 O ATOM 23 CB SER A 3 5.669 18.630 25.660 1.00 0.00 C ATOM 24 OG SER A 3 7.019 18.624 25.231 1.00 0.00 O ATOM 0 H SER A 3 2.750 18.055 25.007 1.00 0.00 H new ATOM 0 HA SER A 3 5.013 19.300 23.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.471 19.534 26.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.491 17.784 26.323 1.00 0.00 H new ATOM 0 HG SER A 3 7.610 18.671 26.011 1.00 0.00 H new ATOM 30 N GLY A 4 5.887 16.900 23.147 1.00 0.00 N ATOM 31 CA GLY A 4 6.056 15.613 22.498 1.00 0.00 C ATOM 32 C GLY A 4 7.321 15.546 21.665 1.00 0.00 C ATOM 33 O GLY A 4 7.332 15.964 20.507 1.00 0.00 O ATOM 0 H GLY A 4 6.670 17.544 23.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.081 14.828 23.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.194 15.415 21.861 1.00 0.00 H new ATOM 37 N SER A 5 8.389 15.021 22.255 1.00 0.00 N ATOM 38 CA SER A 5 9.667 14.906 21.562 1.00 0.00 C ATOM 39 C SER A 5 9.549 13.977 20.357 1.00 0.00 C ATOM 40 O SER A 5 8.596 13.207 20.244 1.00 0.00 O ATOM 41 CB SER A 5 10.744 14.388 22.516 1.00 0.00 C ATOM 42 OG SER A 5 11.155 15.400 23.419 1.00 0.00 O ATOM 0 H SER A 5 8.395 14.668 23.212 1.00 0.00 H new ATOM 0 HA SER A 5 9.952 15.897 21.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.360 13.533 23.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.602 14.036 21.944 1.00 0.00 H new ATOM 0 HG SER A 5 11.843 15.043 24.019 1.00 0.00 H new ATOM 48 N SER A 6 10.526 14.056 19.459 1.00 0.00 N ATOM 49 CA SER A 6 10.532 13.225 18.261 1.00 0.00 C ATOM 50 C SER A 6 11.956 12.996 17.765 1.00 0.00 C ATOM 51 O SER A 6 12.888 13.686 18.177 1.00 0.00 O ATOM 52 CB SER A 6 9.695 13.879 17.158 1.00 0.00 C ATOM 53 OG SER A 6 9.146 12.904 16.289 1.00 0.00 O ATOM 0 H SER A 6 11.323 14.687 19.539 1.00 0.00 H new ATOM 0 HA SER A 6 10.095 12.259 18.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.892 14.465 17.605 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.315 14.571 16.588 1.00 0.00 H new ATOM 0 HG SER A 6 8.615 13.347 15.595 1.00 0.00 H new ATOM 59 N GLY A 7 12.117 12.019 16.877 1.00 0.00 N ATOM 60 CA GLY A 7 13.431 11.715 16.340 1.00 0.00 C ATOM 61 C GLY A 7 13.389 11.382 14.861 1.00 0.00 C ATOM 62 O GLY A 7 12.767 10.400 14.456 1.00 0.00 O ATOM 0 H GLY A 7 11.362 11.433 16.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.091 12.567 16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.858 10.874 16.887 1.00 0.00 H new ATOM 66 N ARG A 8 14.051 12.203 14.053 1.00 0.00 N ATOM 67 CA ARG A 8 14.085 11.993 12.611 1.00 0.00 C ATOM 68 C ARG A 8 15.419 11.391 12.180 1.00 0.00 C ATOM 69 O ARG A 8 16.263 11.063 13.015 1.00 0.00 O ATOM 70 CB ARG A 8 13.848 13.313 11.875 1.00 0.00 C ATOM 71 CG ARG A 8 12.384 13.716 11.804 1.00 0.00 C ATOM 72 CD ARG A 8 11.610 12.835 10.836 1.00 0.00 C ATOM 73 NE ARG A 8 10.198 12.738 11.194 1.00 0.00 N ATOM 74 CZ ARG A 8 9.398 11.766 10.769 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.869 10.814 9.976 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.124 11.745 11.138 1.00 0.00 N ATOM 0 H ARG A 8 14.571 13.020 14.373 1.00 0.00 H new ATOM 0 HA ARG A 8 13.290 11.293 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.410 14.103 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.243 13.231 10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.938 13.647 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.307 14.757 11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.701 13.238 9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.050 11.838 10.822 1.00 0.00 H new ATOM 0 HE ARG A 8 9.804 13.455 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.848 10.826 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.252 10.069 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.758 12.475 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.511 10.998 10.811 1.00 0.00 H new ATOM 90 N LEU A 9 15.603 11.248 10.872 1.00 0.00 N ATOM 91 CA LEU A 9 16.835 10.685 10.330 1.00 0.00 C ATOM 92 C LEU A 9 16.945 10.957 8.833 1.00 0.00 C ATOM 93 O LEU A 9 15.985 10.769 8.084 1.00 0.00 O ATOM 94 CB LEU A 9 16.889 9.179 10.591 1.00 0.00 C ATOM 95 CG LEU A 9 16.107 8.300 9.615 1.00 0.00 C ATOM 96 CD1 LEU A 9 16.964 7.948 8.408 1.00 0.00 C ATOM 97 CD2 LEU A 9 15.616 7.037 10.309 1.00 0.00 C ATOM 0 H LEU A 9 14.915 11.514 10.167 1.00 0.00 H new ATOM 0 HA LEU A 9 17.676 11.165 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.933 8.865 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.515 8.991 11.597 1.00 0.00 H new ATOM 0 HG LEU A 9 15.239 8.861 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.390 7.322 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.265 8.862 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.851 7.407 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.062 6.424 9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.470 6.474 10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.965 7.308 11.140 1.00 0.00 H new ATOM 109 N LEU A 10 18.122 11.399 8.403 1.00 0.00 N ATOM 110 CA LEU A 10 18.359 11.695 6.994 1.00 0.00 C ATOM 111 C LEU A 10 19.075 10.537 6.307 1.00 0.00 C ATOM 112 O LEU A 10 19.436 9.549 6.948 1.00 0.00 O ATOM 113 CB LEU A 10 19.185 12.975 6.854 1.00 0.00 C ATOM 114 CG LEU A 10 18.392 14.280 6.772 1.00 0.00 C ATOM 115 CD1 LEU A 10 17.237 14.142 5.793 1.00 0.00 C ATOM 116 CD2 LEU A 10 17.883 14.682 8.148 1.00 0.00 C ATOM 0 H LEU A 10 18.926 11.560 9.009 1.00 0.00 H new ATOM 0 HA LEU A 10 17.393 11.838 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.865 13.039 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.800 12.890 5.958 1.00 0.00 H new ATOM 0 HG LEU A 10 19.056 15.064 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.684 15.080 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.626 13.902 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 10 16.572 13.345 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.321 15.613 8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.235 13.898 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.728 14.824 8.822 1.00 0.00 H new ATOM 128 N ASP A 11 19.278 10.665 5.001 1.00 0.00 N ATOM 129 CA ASP A 11 19.954 9.630 4.227 1.00 0.00 C ATOM 130 C ASP A 11 20.347 10.152 2.848 1.00 0.00 C ATOM 131 O ASP A 11 19.492 10.373 1.989 1.00 0.00 O ATOM 132 CB ASP A 11 19.054 8.401 4.083 1.00 0.00 C ATOM 133 CG ASP A 11 18.070 8.267 5.229 1.00 0.00 C ATOM 134 OD1 ASP A 11 17.106 9.060 5.278 1.00 0.00 O ATOM 135 OD2 ASP A 11 18.264 7.370 6.075 1.00 0.00 O ATOM 0 H ASP A 11 18.984 11.475 4.455 1.00 0.00 H new ATOM 0 HA ASP A 11 20.861 9.346 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.506 8.464 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 11 19.673 7.505 4.032 1.00 0.00 H new ATOM 140 N LEU A 12 21.645 10.347 2.643 1.00 0.00 N ATOM 141 CA LEU A 12 22.151 10.844 1.369 1.00 0.00 C ATOM 142 C LEU A 12 21.335 10.291 0.205 1.00 0.00 C ATOM 143 O LEU A 12 20.909 11.037 -0.676 1.00 0.00 O ATOM 144 CB LEU A 12 23.624 10.464 1.200 1.00 0.00 C ATOM 145 CG LEU A 12 24.378 11.182 0.080 1.00 0.00 C ATOM 146 CD1 LEU A 12 24.632 12.634 0.453 1.00 0.00 C ATOM 147 CD2 LEU A 12 25.688 10.470 -0.222 1.00 0.00 C ATOM 0 H LEU A 12 22.366 10.169 3.342 1.00 0.00 H new ATOM 0 HA LEU A 12 22.059 11.930 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.139 10.659 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.683 9.390 1.021 1.00 0.00 H new ATOM 0 HG LEU A 12 23.761 11.162 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.170 13.129 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.680 13.139 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.229 12.677 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 12 26.211 10.995 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.310 10.458 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.482 9.446 -0.534 1.00 0.00 H new ATOM 159 N GLU A 13 21.119 8.980 0.210 1.00 0.00 N ATOM 160 CA GLU A 13 20.352 8.328 -0.845 1.00 0.00 C ATOM 161 C GLU A 13 19.206 9.219 -1.314 1.00 0.00 C ATOM 162 O GLU A 13 18.632 9.973 -0.530 1.00 0.00 O ATOM 163 CB GLU A 13 19.802 6.987 -0.352 1.00 0.00 C ATOM 164 CG GLU A 13 20.878 5.946 -0.095 1.00 0.00 C ATOM 165 CD GLU A 13 20.351 4.734 0.649 1.00 0.00 C ATOM 166 OE1 GLU A 13 20.333 4.767 1.897 1.00 0.00 O ATOM 167 OE2 GLU A 13 19.957 3.754 -0.016 1.00 0.00 O ATOM 0 H GLU A 13 21.464 8.348 0.933 1.00 0.00 H new ATOM 0 HA GLU A 13 21.020 8.151 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.239 7.150 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.101 6.598 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.304 5.627 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.686 6.398 0.481 1.00 0.00 H new ATOM 174 N ASN A 14 18.879 9.125 -2.599 1.00 0.00 N ATOM 175 CA ASN A 14 17.803 9.924 -3.174 1.00 0.00 C ATOM 176 C ASN A 14 16.877 9.058 -4.023 1.00 0.00 C ATOM 177 O ASN A 14 17.188 8.742 -5.172 1.00 0.00 O ATOM 178 CB ASN A 14 18.379 11.059 -4.023 1.00 0.00 C ATOM 179 CG ASN A 14 17.298 11.879 -4.701 1.00 0.00 C ATOM 180 OD1 ASN A 14 17.220 11.928 -5.929 1.00 0.00 O ATOM 181 ND2 ASN A 14 16.459 12.528 -3.902 1.00 0.00 N ATOM 0 H ASN A 14 19.344 8.504 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 14 17.224 10.351 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 14 18.984 11.710 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 14 19.044 10.642 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.712 13.096 -4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.562 12.458 -2.890 1.00 0.00 H new ATOM 188 N ILE A 15 15.740 8.678 -3.450 1.00 0.00 N ATOM 189 CA ILE A 15 14.769 7.850 -4.154 1.00 0.00 C ATOM 190 C ILE A 15 13.545 8.664 -4.561 1.00 0.00 C ATOM 191 O ILE A 15 13.413 9.830 -4.191 1.00 0.00 O ATOM 192 CB ILE A 15 14.315 6.657 -3.292 1.00 0.00 C ATOM 193 CG1 ILE A 15 15.481 6.138 -2.448 1.00 0.00 C ATOM 194 CG2 ILE A 15 13.757 5.549 -4.173 1.00 0.00 C ATOM 195 CD1 ILE A 15 16.579 5.495 -3.264 1.00 0.00 C ATOM 0 H ILE A 15 15.469 8.931 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 15 15.266 7.473 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 15 13.525 6.992 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 15 15.901 6.965 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.103 5.413 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.440 4.713 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.903 5.926 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.528 5.213 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.372 5.151 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.173 4.647 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 15 16.985 6.223 -3.966 1.00 0.00 H new ATOM 207 N GLN A 16 12.653 8.040 -5.322 1.00 0.00 N ATOM 208 CA GLN A 16 11.439 8.706 -5.778 1.00 0.00 C ATOM 209 C GLN A 16 10.298 8.498 -4.787 1.00 0.00 C ATOM 210 O GLN A 16 9.143 8.338 -5.180 1.00 0.00 O ATOM 211 CB GLN A 16 11.032 8.185 -7.158 1.00 0.00 C ATOM 212 CG GLN A 16 10.746 6.693 -7.184 1.00 0.00 C ATOM 213 CD GLN A 16 9.320 6.365 -6.787 1.00 0.00 C ATOM 214 OE1 GLN A 16 9.055 5.969 -5.651 1.00 0.00 O ATOM 215 NE2 GLN A 16 8.392 6.528 -7.723 1.00 0.00 N ATOM 0 H GLN A 16 12.748 7.074 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 16 11.646 9.774 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.145 8.723 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.827 8.407 -7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.938 6.308 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.433 6.183 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.656 6.858 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.415 6.323 -7.514 1.00 0.00 H new ATOM 224 N ILE A 17 10.632 8.500 -3.501 1.00 0.00 N ATOM 225 CA ILE A 17 9.635 8.311 -2.454 1.00 0.00 C ATOM 226 C ILE A 17 9.426 9.594 -1.657 1.00 0.00 C ATOM 227 O ILE A 17 10.374 10.285 -1.283 1.00 0.00 O ATOM 228 CB ILE A 17 10.039 7.181 -1.489 1.00 0.00 C ATOM 229 CG1 ILE A 17 10.297 5.887 -2.263 1.00 0.00 C ATOM 230 CG2 ILE A 17 8.959 6.970 -0.438 1.00 0.00 C ATOM 231 CD1 ILE A 17 10.756 4.741 -1.390 1.00 0.00 C ATOM 0 H ILE A 17 11.584 8.630 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 17 8.704 8.038 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 17 10.960 7.469 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.383 5.595 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.051 6.075 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.259 6.168 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.820 7.889 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.023 6.701 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.919 3.857 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.687 5.013 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.993 4.526 -0.642 1.00 0.00 H new ATOM 243 N PRO A 18 8.153 9.922 -1.387 1.00 0.00 N ATOM 244 CA PRO A 18 7.789 11.123 -0.629 1.00 0.00 C ATOM 245 C PRO A 18 8.177 11.020 0.842 1.00 0.00 C ATOM 246 O PRO A 18 8.196 9.930 1.414 1.00 0.00 O ATOM 247 CB PRO A 18 6.267 11.188 -0.777 1.00 0.00 C ATOM 248 CG PRO A 18 5.850 9.779 -1.026 1.00 0.00 C ATOM 249 CD PRO A 18 6.972 9.146 -1.801 1.00 0.00 C ATOM 0 HA PRO A 18 8.305 12.009 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.798 11.586 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.977 11.838 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.678 9.251 -0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.917 9.742 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.081 8.089 -1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.805 9.212 -2.876 1.00 0.00 H new ATOM 257 N ASP A 19 8.485 12.161 1.449 1.00 0.00 N ATOM 258 CA ASP A 19 8.872 12.199 2.854 1.00 0.00 C ATOM 259 C ASP A 19 7.839 11.486 3.721 1.00 0.00 C ATOM 260 O ASP A 19 8.189 10.769 4.658 1.00 0.00 O ATOM 261 CB ASP A 19 9.035 13.646 3.321 1.00 0.00 C ATOM 262 CG ASP A 19 9.606 13.742 4.723 1.00 0.00 C ATOM 263 OD1 ASP A 19 10.632 13.083 4.991 1.00 0.00 O ATOM 264 OD2 ASP A 19 9.025 14.475 5.551 1.00 0.00 O ATOM 0 H ASP A 19 8.474 13.072 0.990 1.00 0.00 H new ATOM 0 HA ASP A 19 9.826 11.682 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.689 14.177 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.067 14.145 3.291 1.00 0.00 H new ATOM 269 N ALA A 20 6.565 11.689 3.402 1.00 0.00 N ATOM 270 CA ALA A 20 5.481 11.064 4.151 1.00 0.00 C ATOM 271 C ALA A 20 4.464 10.423 3.213 1.00 0.00 C ATOM 272 O ALA A 20 4.378 10.755 2.031 1.00 0.00 O ATOM 273 CB ALA A 20 4.802 12.088 5.049 1.00 0.00 C ATOM 0 H ALA A 20 6.258 12.281 2.630 1.00 0.00 H new ATOM 0 HA ALA A 20 5.908 10.277 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.995 11.608 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.530 12.496 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.394 12.894 4.439 1.00 0.00 H new ATOM 279 N PRO A 21 3.674 9.481 3.750 1.00 0.00 N ATOM 280 CA PRO A 21 2.648 8.774 2.978 1.00 0.00 C ATOM 281 C PRO A 21 1.480 9.678 2.601 1.00 0.00 C ATOM 282 O PRO A 21 0.861 10.320 3.451 1.00 0.00 O ATOM 283 CB PRO A 21 2.185 7.670 3.932 1.00 0.00 C ATOM 284 CG PRO A 21 2.480 8.197 5.294 1.00 0.00 C ATOM 285 CD PRO A 21 3.721 9.035 5.153 1.00 0.00 C ATOM 0 HA PRO A 21 3.035 8.402 2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.122 7.462 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.716 6.737 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.648 8.792 5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.637 7.383 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.717 9.879 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.622 8.457 5.361 1.00 0.00 H new ATOM 293 N PRO A 22 1.168 9.732 1.298 1.00 0.00 N ATOM 294 CA PRO A 22 0.071 10.554 0.779 1.00 0.00 C ATOM 295 C PRO A 22 -1.298 10.016 1.185 1.00 0.00 C ATOM 296 O PRO A 22 -1.441 8.868 1.605 1.00 0.00 O ATOM 297 CB PRO A 22 0.251 10.469 -0.738 1.00 0.00 C ATOM 298 CG PRO A 22 0.968 9.183 -0.964 1.00 0.00 C ATOM 299 CD PRO A 22 1.863 8.994 0.230 1.00 0.00 C ATOM 0 HA PRO A 22 0.104 11.571 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.710 10.482 -1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.826 11.314 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.265 8.356 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.549 9.216 -1.886 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.981 7.940 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.862 9.392 0.051 1.00 0.00 H new ATOM 307 N PRO A 23 -2.329 10.864 1.056 1.00 0.00 N ATOM 308 CA PRO A 23 -3.705 10.495 1.402 1.00 0.00 C ATOM 309 C PRO A 23 -4.294 9.477 0.433 1.00 0.00 C ATOM 310 O PRO A 23 -4.483 9.768 -0.749 1.00 0.00 O ATOM 311 CB PRO A 23 -4.462 11.823 1.309 1.00 0.00 C ATOM 312 CG PRO A 23 -3.667 12.646 0.355 1.00 0.00 C ATOM 313 CD PRO A 23 -2.232 12.248 0.561 1.00 0.00 C ATOM 0 HA PRO A 23 -3.766 10.021 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.480 11.674 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.535 12.306 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.979 12.462 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.808 13.710 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.662 12.304 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.734 12.898 1.280 1.00 0.00 H new ATOM 321 N ILE A 24 -4.581 8.283 0.939 1.00 0.00 N ATOM 322 CA ILE A 24 -5.151 7.222 0.117 1.00 0.00 C ATOM 323 C ILE A 24 -6.201 7.773 -0.842 1.00 0.00 C ATOM 324 O ILE A 24 -7.020 8.620 -0.484 1.00 0.00 O ATOM 325 CB ILE A 24 -5.789 6.120 0.983 1.00 0.00 C ATOM 326 CG1 ILE A 24 -4.742 5.495 1.906 1.00 0.00 C ATOM 327 CG2 ILE A 24 -6.428 5.057 0.101 1.00 0.00 C ATOM 328 CD1 ILE A 24 -5.336 4.630 2.996 1.00 0.00 C ATOM 0 H ILE A 24 -4.428 8.025 1.914 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.330 6.792 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.567 6.569 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.056 4.893 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.153 6.289 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.875 4.285 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.200 5.514 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.667 4.610 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.536 4.220 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.000 5.232 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.901 3.814 2.546 1.00 0.00 H new ATOM 340 N PRO A 25 -6.180 7.280 -2.089 1.00 0.00 N ATOM 341 CA PRO A 25 -7.126 7.707 -3.124 1.00 0.00 C ATOM 342 C PRO A 25 -8.545 7.219 -2.850 1.00 0.00 C ATOM 343 O PRO A 25 -8.820 6.635 -1.802 1.00 0.00 O ATOM 344 CB PRO A 25 -6.575 7.059 -4.397 1.00 0.00 C ATOM 345 CG PRO A 25 -5.806 5.876 -3.918 1.00 0.00 C ATOM 346 CD PRO A 25 -5.233 6.268 -2.584 1.00 0.00 C ATOM 0 HA PRO A 25 -7.205 8.793 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.379 6.762 -5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.937 7.749 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.451 5.003 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.015 5.614 -4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.167 5.415 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.226 6.674 -2.683 1.00 0.00 H new ATOM 354 N LYS A 26 -9.442 7.462 -3.799 1.00 0.00 N ATOM 355 CA LYS A 26 -10.833 7.047 -3.662 1.00 0.00 C ATOM 356 C LYS A 26 -10.999 5.573 -4.019 1.00 0.00 C ATOM 357 O LYS A 26 -10.489 5.112 -5.040 1.00 0.00 O ATOM 358 CB LYS A 26 -11.734 7.904 -4.555 1.00 0.00 C ATOM 359 CG LYS A 26 -13.217 7.700 -4.298 1.00 0.00 C ATOM 360 CD LYS A 26 -13.637 8.290 -2.963 1.00 0.00 C ATOM 361 CE LYS A 26 -14.071 9.741 -3.106 1.00 0.00 C ATOM 362 NZ LYS A 26 -12.929 10.681 -2.931 1.00 0.00 N ATOM 0 H LYS A 26 -9.230 7.945 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.126 7.186 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.489 8.955 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.520 7.675 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.793 8.163 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.447 6.635 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.456 7.704 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.808 8.225 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.518 9.891 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.842 9.964 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.195 11.429 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.106 10.162 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.688 11.109 -3.848 1.00 0.00 H new ATOM 376 N GLU A 27 -11.716 4.841 -3.173 1.00 0.00 N ATOM 377 CA GLU A 27 -11.948 3.419 -3.401 1.00 0.00 C ATOM 378 C GLU A 27 -12.580 3.185 -4.771 1.00 0.00 C ATOM 379 O GLU A 27 -13.401 3.970 -5.246 1.00 0.00 O ATOM 380 CB GLU A 27 -12.849 2.845 -2.306 1.00 0.00 C ATOM 381 CG GLU A 27 -12.104 2.482 -1.033 1.00 0.00 C ATOM 382 CD GLU A 27 -12.879 1.516 -0.158 1.00 0.00 C ATOM 383 OE1 GLU A 27 -14.015 1.853 0.235 1.00 0.00 O ATOM 384 OE2 GLU A 27 -12.350 0.423 0.133 1.00 0.00 O ATOM 0 H GLU A 27 -12.146 5.208 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.985 2.910 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.625 3.572 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.351 1.957 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.142 2.039 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.894 3.390 -0.468 1.00 0.00 H new ATOM 391 N PRO A 28 -12.190 2.078 -5.420 1.00 0.00 N ATOM 392 CA PRO A 28 -12.705 1.714 -6.743 1.00 0.00 C ATOM 393 C PRO A 28 -14.169 1.289 -6.699 1.00 0.00 C ATOM 394 O PRO A 28 -14.627 0.711 -5.714 1.00 0.00 O ATOM 395 CB PRO A 28 -11.819 0.536 -7.157 1.00 0.00 C ATOM 396 CG PRO A 28 -11.348 -0.053 -5.872 1.00 0.00 C ATOM 397 CD PRO A 28 -11.215 1.098 -4.913 1.00 0.00 C ATOM 0 HA PRO A 28 -12.674 2.554 -7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.378 -0.192 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.982 0.867 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.057 -0.792 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.394 -0.564 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.442 0.797 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.203 1.503 -4.909 1.00 0.00 H new ATOM 405 N SER A 29 -14.897 1.579 -7.772 1.00 0.00 N ATOM 406 CA SER A 29 -16.311 1.230 -7.853 1.00 0.00 C ATOM 407 C SER A 29 -16.618 0.513 -9.164 1.00 0.00 C ATOM 408 O SER A 29 -15.789 0.473 -10.072 1.00 0.00 O ATOM 409 CB SER A 29 -17.176 2.485 -7.731 1.00 0.00 C ATOM 410 OG SER A 29 -17.091 3.280 -8.901 1.00 0.00 O ATOM 0 H SER A 29 -14.532 2.054 -8.597 1.00 0.00 H new ATOM 0 HA SER A 29 -16.542 0.557 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 29 -18.213 2.200 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.856 3.068 -6.867 1.00 0.00 H new ATOM 0 HG SER A 29 -17.654 4.075 -8.798 1.00 0.00 H new ATOM 416 N ASN A 30 -17.817 -0.054 -9.255 1.00 0.00 N ATOM 417 CA ASN A 30 -18.236 -0.771 -10.454 1.00 0.00 C ATOM 418 C ASN A 30 -17.209 -1.831 -10.840 1.00 0.00 C ATOM 419 O ASN A 30 -16.845 -1.961 -12.009 1.00 0.00 O ATOM 420 CB ASN A 30 -18.437 0.207 -11.613 1.00 0.00 C ATOM 421 CG ASN A 30 -19.483 1.261 -11.306 1.00 0.00 C ATOM 422 OD1 ASN A 30 -20.481 0.985 -10.639 1.00 0.00 O ATOM 423 ND2 ASN A 30 -19.260 2.476 -11.792 1.00 0.00 N ATOM 0 H ASN A 30 -18.516 -0.031 -8.512 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.182 -1.268 -10.239 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.490 0.695 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.733 -0.346 -12.504 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.929 3.226 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.419 2.660 -12.340 1.00 0.00 H new ATOM 430 N TYR A 31 -16.745 -2.586 -9.850 1.00 0.00 N ATOM 431 CA TYR A 31 -15.759 -3.633 -10.086 1.00 0.00 C ATOM 432 C TYR A 31 -16.125 -4.461 -11.314 1.00 0.00 C ATOM 433 O TYR A 31 -17.301 -4.610 -11.648 1.00 0.00 O ATOM 434 CB TYR A 31 -15.646 -4.542 -8.860 1.00 0.00 C ATOM 435 CG TYR A 31 -15.688 -3.794 -7.547 1.00 0.00 C ATOM 436 CD1 TYR A 31 -14.557 -3.155 -7.053 1.00 0.00 C ATOM 437 CD2 TYR A 31 -16.857 -3.728 -6.799 1.00 0.00 C ATOM 438 CE1 TYR A 31 -14.590 -2.471 -5.853 1.00 0.00 C ATOM 439 CE2 TYR A 31 -16.900 -3.045 -5.599 1.00 0.00 C ATOM 440 CZ TYR A 31 -15.764 -2.419 -5.130 1.00 0.00 C ATOM 441 OH TYR A 31 -15.802 -1.739 -3.934 1.00 0.00 O ATOM 0 H TYR A 31 -17.036 -2.492 -8.877 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.796 -3.155 -10.267 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.458 -5.269 -8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.714 -5.104 -8.919 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.637 -3.194 -7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.748 -4.219 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.702 -1.980 -5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.818 -3.001 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.703 -1.798 -3.553 1.00 0.00 H new ATOM 451 N ASP A 32 -15.110 -4.997 -11.982 1.00 0.00 N ATOM 452 CA ASP A 32 -15.324 -5.812 -13.173 1.00 0.00 C ATOM 453 C ASP A 32 -15.501 -7.281 -12.802 1.00 0.00 C ATOM 454 O ASP A 32 -16.292 -7.996 -13.418 1.00 0.00 O ATOM 455 CB ASP A 32 -14.150 -5.656 -14.140 1.00 0.00 C ATOM 456 CG ASP A 32 -14.229 -4.374 -14.945 1.00 0.00 C ATOM 457 OD1 ASP A 32 -14.503 -3.313 -14.346 1.00 0.00 O ATOM 458 OD2 ASP A 32 -14.017 -4.431 -16.174 1.00 0.00 O ATOM 0 H ASP A 32 -14.131 -4.882 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.236 -5.467 -13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.216 -5.672 -13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.128 -6.508 -14.820 1.00 0.00 H new ATOM 463 N PHE A 33 -14.761 -7.724 -11.792 1.00 0.00 N ATOM 464 CA PHE A 33 -14.835 -9.109 -11.339 1.00 0.00 C ATOM 465 C PHE A 33 -15.980 -9.297 -10.349 1.00 0.00 C ATOM 466 O PHE A 33 -15.875 -10.076 -9.402 1.00 0.00 O ATOM 467 CB PHE A 33 -13.513 -9.528 -10.693 1.00 0.00 C ATOM 468 CG PHE A 33 -13.352 -9.034 -9.284 1.00 0.00 C ATOM 469 CD1 PHE A 33 -13.024 -7.711 -9.032 1.00 0.00 C ATOM 470 CD2 PHE A 33 -13.528 -9.892 -8.210 1.00 0.00 C ATOM 471 CE1 PHE A 33 -12.875 -7.253 -7.737 1.00 0.00 C ATOM 472 CE2 PHE A 33 -13.381 -9.440 -6.913 1.00 0.00 C ATOM 473 CZ PHE A 33 -13.053 -8.119 -6.676 1.00 0.00 C ATOM 0 H PHE A 33 -14.103 -7.145 -11.271 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.022 -9.740 -12.208 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -13.444 -10.616 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.687 -9.153 -11.298 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.883 -7.030 -9.858 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.783 -10.926 -8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.620 -6.220 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.522 -10.119 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.936 -7.764 -5.663 1.00 0.00 H new ATOM 483 N SER A 34 -17.075 -8.578 -10.576 1.00 0.00 N ATOM 484 CA SER A 34 -18.239 -8.662 -9.703 1.00 0.00 C ATOM 485 C SER A 34 -19.498 -8.979 -10.504 1.00 0.00 C ATOM 486 O SER A 34 -20.073 -8.104 -11.151 1.00 0.00 O ATOM 487 CB SER A 34 -18.425 -7.349 -8.938 1.00 0.00 C ATOM 488 OG SER A 34 -18.802 -6.299 -9.812 1.00 0.00 O ATOM 0 H SER A 34 -17.180 -7.931 -11.357 1.00 0.00 H new ATOM 0 HA SER A 34 -18.070 -9.469 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.187 -7.477 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.498 -7.087 -8.428 1.00 0.00 H new ATOM 0 HG SER A 34 -19.540 -6.598 -10.384 1.00 0.00 H new ATOM 494 N GLY A 35 -19.922 -10.238 -10.455 1.00 0.00 N ATOM 495 CA GLY A 35 -21.109 -10.651 -11.180 1.00 0.00 C ATOM 496 C GLY A 35 -22.389 -10.241 -10.478 1.00 0.00 C ATOM 497 O GLY A 35 -22.368 -9.559 -9.454 1.00 0.00 O ATOM 0 H GLY A 35 -19.464 -10.980 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.091 -10.216 -12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.097 -11.734 -11.304 1.00 0.00 H new ATOM 501 N PRO A 36 -23.534 -10.659 -11.036 1.00 0.00 N ATOM 502 CA PRO A 36 -24.851 -10.342 -10.474 1.00 0.00 C ATOM 503 C PRO A 36 -25.110 -11.070 -9.159 1.00 0.00 C ATOM 504 O PRO A 36 -26.171 -10.918 -8.554 1.00 0.00 O ATOM 505 CB PRO A 36 -25.823 -10.824 -11.553 1.00 0.00 C ATOM 506 CG PRO A 36 -25.079 -11.888 -12.285 1.00 0.00 C ATOM 507 CD PRO A 36 -23.633 -11.475 -12.258 1.00 0.00 C ATOM 0 HA PRO A 36 -24.949 -9.283 -10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -26.741 -11.214 -11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -26.109 -10.011 -12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -25.217 -12.859 -11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -25.439 -11.982 -13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.969 -12.339 -12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -23.362 -10.904 -13.146 1.00 0.00 H new ATOM 515 N SER A 37 -24.134 -11.859 -8.722 1.00 0.00 N ATOM 516 CA SER A 37 -24.259 -12.613 -7.481 1.00 0.00 C ATOM 517 C SER A 37 -25.390 -13.632 -7.575 1.00 0.00 C ATOM 518 O SER A 37 -26.151 -13.821 -6.626 1.00 0.00 O ATOM 519 CB SER A 37 -24.508 -11.665 -6.306 1.00 0.00 C ATOM 520 OG SER A 37 -24.424 -12.351 -5.069 1.00 0.00 O ATOM 0 H SER A 37 -23.248 -11.993 -9.209 1.00 0.00 H new ATOM 0 HA SER A 37 -23.324 -13.148 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 37 -23.778 -10.856 -6.327 1.00 0.00 H new ATOM 0 HB3 SER A 37 -25.493 -11.208 -6.406 1.00 0.00 H new ATOM 0 HG SER A 37 -25.041 -13.112 -5.075 1.00 0.00 H new ATOM 526 N SER A 38 -25.495 -14.286 -8.727 1.00 0.00 N ATOM 527 CA SER A 38 -26.535 -15.283 -8.949 1.00 0.00 C ATOM 528 C SER A 38 -26.176 -16.192 -10.121 1.00 0.00 C ATOM 529 O SER A 38 -25.348 -15.843 -10.961 1.00 0.00 O ATOM 530 CB SER A 38 -27.879 -14.600 -9.212 1.00 0.00 C ATOM 531 OG SER A 38 -27.944 -14.096 -10.534 1.00 0.00 O ATOM 0 H SER A 38 -24.872 -14.143 -9.522 1.00 0.00 H new ATOM 0 HA SER A 38 -26.615 -15.893 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 38 -28.690 -15.311 -9.050 1.00 0.00 H new ATOM 0 HB3 SER A 38 -28.022 -13.786 -8.502 1.00 0.00 H new ATOM 0 HG SER A 38 -28.813 -13.666 -10.678 1.00 0.00 H new ATOM 537 N GLY A 39 -26.806 -17.362 -10.169 1.00 0.00 N ATOM 538 CA GLY A 39 -26.541 -18.304 -11.241 1.00 0.00 C ATOM 539 C GLY A 39 -27.300 -19.605 -11.071 1.00 0.00 C ATOM 540 O GLY A 39 -28.139 -19.729 -10.178 1.00 0.00 O ATOM 0 H GLY A 39 -27.495 -17.674 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -26.813 -17.851 -12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -25.472 -18.513 -11.281 1.00 0.00 H new ATOM 544 N ILE A 40 -27.006 -20.576 -11.929 1.00 0.00 N ATOM 545 CA ILE A 40 -27.668 -21.873 -11.870 1.00 0.00 C ATOM 546 C ILE A 40 -27.358 -22.588 -10.559 1.00 0.00 C ATOM 547 O ILE A 40 -27.947 -23.624 -10.252 1.00 0.00 O ATOM 548 CB ILE A 40 -27.247 -22.774 -13.045 1.00 0.00 C ATOM 549 CG1 ILE A 40 -25.746 -23.066 -12.981 1.00 0.00 C ATOM 550 CG2 ILE A 40 -27.608 -22.120 -14.370 1.00 0.00 C ATOM 551 CD1 ILE A 40 -25.363 -24.401 -13.581 1.00 0.00 C ATOM 0 H ILE A 40 -26.314 -20.489 -12.673 1.00 0.00 H new ATOM 0 HA ILE A 40 -28.740 -21.684 -11.934 1.00 0.00 H new ATOM 0 HB ILE A 40 -27.785 -23.719 -12.969 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -25.208 -22.275 -13.503 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -25.423 -23.039 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -27.304 -22.769 -15.191 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -28.685 -21.959 -14.415 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -27.094 -21.163 -14.455 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -24.285 -24.540 -13.501 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -25.873 -25.201 -13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -25.655 -24.425 -14.631 1.00 0.00 H new ATOM 563 N GLU A 41 -26.431 -22.027 -9.790 1.00 0.00 N ATOM 564 CA GLU A 41 -26.044 -22.611 -8.511 1.00 0.00 C ATOM 565 C GLU A 41 -26.655 -21.833 -7.350 1.00 0.00 C ATOM 566 O GLU A 41 -26.158 -20.774 -6.969 1.00 0.00 O ATOM 567 CB GLU A 41 -24.520 -22.637 -8.377 1.00 0.00 C ATOM 568 CG GLU A 41 -24.024 -23.490 -7.221 1.00 0.00 C ATOM 569 CD GLU A 41 -24.776 -23.219 -5.933 1.00 0.00 C ATOM 570 OE1 GLU A 41 -25.823 -23.862 -5.709 1.00 0.00 O ATOM 571 OE2 GLU A 41 -24.316 -22.364 -5.147 1.00 0.00 O ATOM 0 H GLU A 41 -25.934 -21.169 -10.030 1.00 0.00 H new ATOM 0 HA GLU A 41 -26.422 -23.633 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.089 -23.012 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.158 -21.617 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.125 -24.543 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.962 -23.301 -7.064 1.00 0.00 H new ATOM 578 N GLY A 42 -27.737 -22.366 -6.791 1.00 0.00 N ATOM 579 CA GLY A 42 -28.399 -21.708 -5.680 1.00 0.00 C ATOM 580 C GLY A 42 -29.182 -22.677 -4.816 1.00 0.00 C ATOM 581 O GLY A 42 -28.614 -23.608 -4.246 1.00 0.00 O ATOM 0 H GLY A 42 -28.167 -23.242 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -27.655 -21.199 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -29.073 -20.942 -6.064 1.00 0.00 H new ATOM 585 N ARG A 43 -30.489 -22.456 -4.717 1.00 0.00 N ATOM 586 CA ARG A 43 -31.350 -23.315 -3.913 1.00 0.00 C ATOM 587 C ARG A 43 -31.819 -24.523 -4.720 1.00 0.00 C ATOM 588 O ARG A 43 -32.886 -24.497 -5.332 1.00 0.00 O ATOM 589 CB ARG A 43 -32.558 -22.528 -3.404 1.00 0.00 C ATOM 590 CG ARG A 43 -32.225 -21.561 -2.280 1.00 0.00 C ATOM 591 CD ARG A 43 -32.053 -22.285 -0.954 1.00 0.00 C ATOM 592 NE ARG A 43 -33.322 -22.790 -0.437 1.00 0.00 N ATOM 593 CZ ARG A 43 -33.508 -23.154 0.827 1.00 0.00 C ATOM 594 NH1 ARG A 43 -32.512 -23.069 1.698 1.00 0.00 N ATOM 595 NH2 ARG A 43 -34.692 -23.603 1.222 1.00 0.00 N ATOM 0 H ARG A 43 -30.974 -21.690 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 43 -30.772 -23.672 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -32.994 -21.971 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -33.317 -23.229 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -31.310 -21.021 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -33.018 -20.819 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -31.358 -23.115 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -31.609 -21.606 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 43 -34.109 -22.867 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -31.600 -22.723 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -32.657 -23.349 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -35.461 -23.669 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -34.834 -23.882 2.193 1.00 0.00 H new ATOM 609 N GLY A 44 -31.012 -25.580 -4.717 1.00 0.00 N ATOM 610 CA GLY A 44 -31.361 -26.781 -5.453 1.00 0.00 C ATOM 611 C GLY A 44 -30.223 -27.781 -5.504 1.00 0.00 C ATOM 612 O GLY A 44 -29.088 -27.424 -5.817 1.00 0.00 O ATOM 0 H GLY A 44 -30.123 -25.626 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -32.230 -27.248 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -31.648 -26.510 -6.469 1.00 0.00 H new ATOM 616 N SER A 45 -30.527 -29.037 -5.193 1.00 0.00 N ATOM 617 CA SER A 45 -29.519 -30.091 -5.200 1.00 0.00 C ATOM 618 C SER A 45 -28.546 -29.906 -6.361 1.00 0.00 C ATOM 619 O SER A 45 -27.335 -30.056 -6.201 1.00 0.00 O ATOM 620 CB SER A 45 -30.187 -31.464 -5.294 1.00 0.00 C ATOM 621 OG SER A 45 -31.095 -31.516 -6.380 1.00 0.00 O ATOM 0 H SER A 45 -31.463 -29.350 -4.933 1.00 0.00 H new ATOM 0 HA SER A 45 -28.959 -30.030 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 -29.426 -32.235 -5.415 1.00 0.00 H new ATOM 0 HB3 SER A 45 -30.714 -31.680 -4.365 1.00 0.00 H new ATOM 0 HG SER A 45 -31.507 -32.404 -6.419 1.00 0.00 H new ATOM 627 N SER A 46 -29.087 -29.578 -7.530 1.00 0.00 N ATOM 628 CA SER A 46 -28.268 -29.375 -8.720 1.00 0.00 C ATOM 629 C SER A 46 -27.293 -28.220 -8.519 1.00 0.00 C ATOM 630 O SER A 46 -27.666 -27.157 -8.024 1.00 0.00 O ATOM 631 CB SER A 46 -29.157 -29.102 -9.935 1.00 0.00 C ATOM 632 OG SER A 46 -28.378 -28.786 -11.076 1.00 0.00 O ATOM 0 H SER A 46 -30.088 -29.447 -7.679 1.00 0.00 H new ATOM 0 HA SER A 46 -27.694 -30.285 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 46 -29.773 -29.977 -10.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 -29.836 -28.278 -9.715 1.00 0.00 H new ATOM 0 HG SER A 46 -28.969 -28.618 -11.839 1.00 0.00 H new ATOM 638 N GLY A 47 -26.040 -28.436 -8.906 1.00 0.00 N ATOM 639 CA GLY A 47 -25.029 -27.405 -8.760 1.00 0.00 C ATOM 640 C GLY A 47 -24.278 -27.142 -10.051 1.00 0.00 C ATOM 641 O GLY A 47 -24.652 -27.649 -11.108 1.00 0.00 O ATOM 0 H GLY A 47 -25.707 -29.307 -9.318 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.502 -26.482 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.321 -27.701 -7.986 1.00 0.00 H new ATOM 645 N SER A 48 -23.217 -26.346 -9.965 1.00 0.00 N ATOM 646 CA SER A 48 -22.415 -26.012 -11.136 1.00 0.00 C ATOM 647 C SER A 48 -20.956 -26.404 -10.924 1.00 0.00 C ATOM 648 O SER A 48 -20.484 -26.496 -9.791 1.00 0.00 O ATOM 649 CB SER A 48 -22.515 -24.516 -11.439 1.00 0.00 C ATOM 650 OG SER A 48 -21.590 -24.137 -12.443 1.00 0.00 O ATOM 0 H SER A 48 -22.893 -25.920 -9.097 1.00 0.00 H new ATOM 0 HA SER A 48 -22.804 -26.574 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 48 -23.527 -24.274 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 -22.325 -23.944 -10.531 1.00 0.00 H new ATOM 0 HG SER A 48 -21.675 -23.177 -12.620 1.00 0.00 H new ATOM 656 N SER A 49 -20.246 -26.634 -12.024 1.00 0.00 N ATOM 657 CA SER A 49 -18.841 -27.020 -11.961 1.00 0.00 C ATOM 658 C SER A 49 -18.230 -27.076 -13.358 1.00 0.00 C ATOM 659 O SER A 49 -18.938 -27.231 -14.352 1.00 0.00 O ATOM 660 CB SER A 49 -18.694 -28.378 -11.272 1.00 0.00 C ATOM 661 OG SER A 49 -19.348 -29.397 -12.008 1.00 0.00 O ATOM 0 H SER A 49 -20.621 -26.560 -12.970 1.00 0.00 H new ATOM 0 HA SER A 49 -18.308 -26.267 -11.381 1.00 0.00 H new ATOM 0 HB2 SER A 49 -17.637 -28.623 -11.166 1.00 0.00 H new ATOM 0 HB3 SER A 49 -19.112 -28.326 -10.267 1.00 0.00 H new ATOM 0 HG SER A 49 -19.238 -30.255 -11.548 1.00 0.00 H new ATOM 667 N GLY A 50 -16.908 -26.950 -13.424 1.00 0.00 N ATOM 668 CA GLY A 50 -16.222 -26.989 -14.702 1.00 0.00 C ATOM 669 C GLY A 50 -14.860 -27.647 -14.609 1.00 0.00 C ATOM 670 O GLY A 50 -14.564 -28.344 -13.639 1.00 0.00 O ATOM 0 H GLY A 50 -16.300 -26.822 -12.615 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.835 -27.530 -15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.106 -25.973 -15.080 1.00 0.00 H new ATOM 674 N SER A 51 -14.027 -27.426 -15.622 1.00 0.00 N ATOM 675 CA SER A 51 -12.690 -28.007 -15.653 1.00 0.00 C ATOM 676 C SER A 51 -11.642 -26.983 -15.228 1.00 0.00 C ATOM 677 O SER A 51 -10.816 -27.250 -14.355 1.00 0.00 O ATOM 678 CB SER A 51 -12.371 -28.529 -17.055 1.00 0.00 C ATOM 679 OG SER A 51 -13.400 -29.380 -17.530 1.00 0.00 O ATOM 0 H SER A 51 -14.255 -26.849 -16.432 1.00 0.00 H new ATOM 0 HA SER A 51 -12.665 -28.839 -14.949 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.245 -27.690 -17.739 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.426 -29.071 -17.038 1.00 0.00 H new ATOM 0 HG SER A 51 -13.172 -29.699 -18.428 1.00 0.00 H new ATOM 685 N SER A 52 -11.684 -25.810 -15.852 1.00 0.00 N ATOM 686 CA SER A 52 -10.736 -24.746 -15.542 1.00 0.00 C ATOM 687 C SER A 52 -11.466 -23.476 -15.114 1.00 0.00 C ATOM 688 O SER A 52 -12.479 -23.101 -15.702 1.00 0.00 O ATOM 689 CB SER A 52 -9.850 -24.454 -16.754 1.00 0.00 C ATOM 690 OG SER A 52 -10.599 -23.867 -17.804 1.00 0.00 O ATOM 0 H SER A 52 -12.364 -25.573 -16.575 1.00 0.00 H new ATOM 0 HA SER A 52 -10.110 -25.081 -14.715 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.040 -23.785 -16.463 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.391 -25.379 -17.104 1.00 0.00 H new ATOM 0 HG SER A 52 -10.009 -23.689 -18.566 1.00 0.00 H new ATOM 696 N GLY A 53 -10.942 -22.819 -14.084 1.00 0.00 N ATOM 697 CA GLY A 53 -11.555 -21.598 -13.593 1.00 0.00 C ATOM 698 C GLY A 53 -10.745 -20.364 -13.935 1.00 0.00 C ATOM 699 O GLY A 53 -10.941 -19.757 -14.988 1.00 0.00 O ATOM 0 H GLY A 53 -10.104 -23.110 -13.581 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.555 -21.501 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.672 -21.664 -12.511 1.00 0.00 H new ATOM 703 N SER A 54 -9.833 -19.991 -13.044 1.00 0.00 N ATOM 704 CA SER A 54 -8.993 -18.817 -13.254 1.00 0.00 C ATOM 705 C SER A 54 -7.580 -19.225 -13.660 1.00 0.00 C ATOM 706 O SER A 54 -6.887 -19.922 -12.920 1.00 0.00 O ATOM 707 CB SER A 54 -8.945 -17.964 -11.985 1.00 0.00 C ATOM 708 OG SER A 54 -10.094 -17.142 -11.878 1.00 0.00 O ATOM 0 H SER A 54 -9.656 -20.485 -12.169 1.00 0.00 H new ATOM 0 HA SER A 54 -9.429 -18.229 -14.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.875 -18.611 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.049 -17.343 -11.995 1.00 0.00 H new ATOM 0 HG SER A 54 -10.039 -16.608 -11.058 1.00 0.00 H new ATOM 714 N SER A 55 -7.161 -18.786 -14.843 1.00 0.00 N ATOM 715 CA SER A 55 -5.833 -19.108 -15.351 1.00 0.00 C ATOM 716 C SER A 55 -4.933 -17.877 -15.337 1.00 0.00 C ATOM 717 O SER A 55 -4.929 -17.086 -16.279 1.00 0.00 O ATOM 718 CB SER A 55 -5.929 -19.668 -16.772 1.00 0.00 C ATOM 719 OG SER A 55 -6.786 -20.795 -16.819 1.00 0.00 O ATOM 0 H SER A 55 -7.722 -18.207 -15.467 1.00 0.00 H new ATOM 0 HA SER A 55 -5.395 -19.864 -14.699 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.301 -18.896 -17.446 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.936 -19.947 -17.124 1.00 0.00 H new ATOM 0 HG SER A 55 -6.832 -21.133 -17.738 1.00 0.00 H new ATOM 725 N GLY A 56 -4.169 -17.721 -14.259 1.00 0.00 N ATOM 726 CA GLY A 56 -3.275 -16.584 -14.141 1.00 0.00 C ATOM 727 C GLY A 56 -1.820 -16.998 -14.054 1.00 0.00 C ATOM 728 O GLY A 56 -1.462 -17.869 -13.261 1.00 0.00 O ATOM 0 H GLY A 56 -4.154 -18.362 -13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.412 -15.927 -15.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.539 -16.008 -13.254 1.00 0.00 H new ATOM 732 N ASP A 57 -0.979 -16.374 -14.871 1.00 0.00 N ATOM 733 CA ASP A 57 0.446 -16.683 -14.883 1.00 0.00 C ATOM 734 C ASP A 57 1.273 -15.424 -15.128 1.00 0.00 C ATOM 735 O ASP A 57 0.735 -14.372 -15.473 1.00 0.00 O ATOM 736 CB ASP A 57 0.755 -17.728 -15.957 1.00 0.00 C ATOM 737 CG ASP A 57 -0.086 -17.541 -17.205 1.00 0.00 C ATOM 738 OD1 ASP A 57 0.339 -16.779 -18.098 1.00 0.00 O ATOM 739 OD2 ASP A 57 -1.170 -18.156 -17.288 1.00 0.00 O ATOM 0 H ASP A 57 -1.259 -15.651 -15.534 1.00 0.00 H new ATOM 0 HA ASP A 57 0.713 -17.087 -13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.811 -17.671 -16.222 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.581 -18.725 -15.551 1.00 0.00 H new ATOM 744 N LYS A 58 2.584 -15.540 -14.948 1.00 0.00 N ATOM 745 CA LYS A 58 3.487 -14.412 -15.149 1.00 0.00 C ATOM 746 C LYS A 58 2.881 -13.125 -14.597 1.00 0.00 C ATOM 747 O LYS A 58 2.989 -12.065 -15.213 1.00 0.00 O ATOM 748 CB LYS A 58 3.802 -14.244 -16.637 1.00 0.00 C ATOM 749 CG LYS A 58 4.995 -13.343 -16.908 1.00 0.00 C ATOM 750 CD LYS A 58 5.370 -13.343 -18.380 1.00 0.00 C ATOM 751 CE LYS A 58 6.144 -12.090 -18.758 1.00 0.00 C ATOM 752 NZ LYS A 58 7.023 -12.316 -19.939 1.00 0.00 N ATOM 0 H LYS A 58 3.046 -16.404 -14.663 1.00 0.00 H new ATOM 0 HA LYS A 58 4.412 -14.617 -14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.992 -15.225 -17.073 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.926 -13.835 -17.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.764 -12.326 -16.590 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.846 -13.677 -16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.971 -14.224 -18.603 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.467 -13.411 -18.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.445 -11.283 -18.975 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.750 -11.768 -17.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.533 -11.438 -20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.707 -13.069 -19.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.443 -12.599 -20.755 1.00 0.00 H new ATOM 766 N GLU A 59 2.247 -13.226 -13.433 1.00 0.00 N ATOM 767 CA GLU A 59 1.625 -12.069 -12.800 1.00 0.00 C ATOM 768 C GLU A 59 2.672 -11.021 -12.436 1.00 0.00 C ATOM 769 O GLU A 59 3.869 -11.227 -12.638 1.00 0.00 O ATOM 770 CB GLU A 59 0.858 -12.497 -11.547 1.00 0.00 C ATOM 771 CG GLU A 59 -0.454 -13.202 -11.848 1.00 0.00 C ATOM 772 CD GLU A 59 -1.239 -12.526 -12.956 1.00 0.00 C ATOM 773 OE1 GLU A 59 -1.310 -11.280 -12.959 1.00 0.00 O ATOM 774 OE2 GLU A 59 -1.781 -13.246 -13.821 1.00 0.00 O ATOM 0 H GLU A 59 2.151 -14.096 -12.910 1.00 0.00 H new ATOM 0 HA GLU A 59 0.927 -11.628 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.489 -13.159 -10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.656 -11.617 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.251 -14.235 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.062 -13.232 -10.944 1.00 0.00 H new ATOM 781 N ARG A 60 2.213 -9.896 -11.898 1.00 0.00 N ATOM 782 CA ARG A 60 3.108 -8.814 -11.507 1.00 0.00 C ATOM 783 C ARG A 60 3.587 -8.997 -10.070 1.00 0.00 C ATOM 784 O ARG A 60 2.913 -9.629 -9.256 1.00 0.00 O ATOM 785 CB ARG A 60 2.405 -7.463 -11.654 1.00 0.00 C ATOM 786 CG ARG A 60 3.353 -6.313 -11.955 1.00 0.00 C ATOM 787 CD ARG A 60 2.593 -5.033 -12.267 1.00 0.00 C ATOM 788 NE ARG A 60 2.173 -4.972 -13.664 1.00 0.00 N ATOM 789 CZ ARG A 60 2.986 -4.644 -14.662 1.00 0.00 C ATOM 790 NH1 ARG A 60 4.255 -4.349 -14.418 1.00 0.00 N ATOM 791 NH2 ARG A 60 2.530 -4.611 -15.908 1.00 0.00 N ATOM 0 H ARG A 60 1.226 -9.710 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 60 3.975 -8.838 -12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.666 -7.532 -12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.861 -7.244 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.010 -6.149 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.989 -6.576 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.717 -4.965 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.223 -4.173 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 60 1.202 -5.193 -13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.610 -4.374 -13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.877 -4.098 -15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.554 -4.838 -16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.155 -4.359 -16.673 1.00 0.00 H new ATOM 805 N HIS A 61 4.754 -8.440 -9.765 1.00 0.00 N ATOM 806 CA HIS A 61 5.323 -8.542 -8.426 1.00 0.00 C ATOM 807 C HIS A 61 5.347 -7.179 -7.740 1.00 0.00 C ATOM 808 O HIS A 61 5.997 -6.247 -8.212 1.00 0.00 O ATOM 809 CB HIS A 61 6.739 -9.117 -8.492 1.00 0.00 C ATOM 810 CG HIS A 61 7.114 -9.925 -7.288 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.233 -9.665 -6.526 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.510 -10.993 -6.716 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.302 -10.538 -5.537 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.268 -11.355 -5.629 1.00 0.00 N ATOM 0 H HIS A 61 5.324 -7.913 -10.427 1.00 0.00 H new ATOM 0 HA HIS A 61 4.693 -9.213 -7.841 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.827 -9.742 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.450 -8.298 -8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.602 -11.471 -7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.073 -10.577 -4.782 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.065 -12.129 -4.996 1.00 0.00 H new ATOM 823 N GLY A 62 4.633 -7.070 -6.624 1.00 0.00 N ATOM 824 CA GLY A 62 4.586 -5.818 -5.893 1.00 0.00 C ATOM 825 C GLY A 62 5.037 -5.969 -4.454 1.00 0.00 C ATOM 826 O GLY A 62 5.071 -7.077 -3.919 1.00 0.00 O ATOM 0 H GLY A 62 4.086 -7.827 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.218 -5.085 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.569 -5.428 -5.912 1.00 0.00 H new ATOM 830 N VAL A 63 5.385 -4.851 -3.824 1.00 0.00 N ATOM 831 CA VAL A 63 5.837 -4.864 -2.438 1.00 0.00 C ATOM 832 C VAL A 63 5.322 -3.645 -1.680 1.00 0.00 C ATOM 833 O VAL A 63 5.503 -2.509 -2.117 1.00 0.00 O ATOM 834 CB VAL A 63 7.375 -4.899 -2.349 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.839 -4.470 -0.965 1.00 0.00 C ATOM 836 CG2 VAL A 63 7.897 -6.286 -2.689 1.00 0.00 C ATOM 0 H VAL A 63 5.362 -3.925 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 63 5.434 -5.768 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 63 7.780 -4.196 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.928 -4.501 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.496 -3.455 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.426 -5.147 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.985 -6.292 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.486 -7.012 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.595 -6.550 -3.703 1.00 0.00 H new ATOM 846 N ALA A 64 4.681 -3.890 -0.542 1.00 0.00 N ATOM 847 CA ALA A 64 4.142 -2.812 0.278 1.00 0.00 C ATOM 848 C ALA A 64 5.258 -1.932 0.831 1.00 0.00 C ATOM 849 O ALA A 64 6.172 -2.419 1.498 1.00 0.00 O ATOM 850 CB ALA A 64 3.304 -3.381 1.413 1.00 0.00 C ATOM 0 H ALA A 64 4.522 -4.825 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 64 3.506 -2.192 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.908 -2.565 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.478 -3.961 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.925 -4.025 2.036 1.00 0.00 H new ATOM 856 N ILE A 65 5.179 -0.636 0.549 1.00 0.00 N ATOM 857 CA ILE A 65 6.183 0.310 1.019 1.00 0.00 C ATOM 858 C ILE A 65 5.650 1.146 2.179 1.00 0.00 C ATOM 859 O ILE A 65 6.420 1.728 2.943 1.00 0.00 O ATOM 860 CB ILE A 65 6.640 1.252 -0.110 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.434 1.945 -0.747 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.429 0.480 -1.157 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.799 2.863 -1.892 1.00 0.00 C ATOM 0 H ILE A 65 4.430 -0.217 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 65 7.036 -0.277 1.359 1.00 0.00 H new ATOM 0 HB ILE A 65 7.290 2.016 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.738 1.187 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.911 2.521 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.745 1.159 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.307 0.030 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.801 -0.304 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.895 3.319 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.470 3.643 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.295 2.289 -2.675 1.00 0.00 H new ATOM 875 N TYR A 66 4.329 1.198 2.305 1.00 0.00 N ATOM 876 CA TYR A 66 3.692 1.962 3.371 1.00 0.00 C ATOM 877 C TYR A 66 2.724 1.090 4.164 1.00 0.00 C ATOM 878 O TYR A 66 2.005 0.268 3.597 1.00 0.00 O ATOM 879 CB TYR A 66 2.952 3.168 2.790 1.00 0.00 C ATOM 880 CG TYR A 66 3.870 4.238 2.245 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.846 4.819 3.045 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.764 4.666 0.927 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.686 5.797 2.551 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.601 5.643 0.424 1.00 0.00 C ATOM 885 CZ TYR A 66 5.561 6.205 1.239 1.00 0.00 C ATOM 886 OH TYR A 66 6.397 7.178 0.743 1.00 0.00 O ATOM 0 H TYR A 66 3.678 0.720 1.682 1.00 0.00 H new ATOM 0 HA TYR A 66 4.472 2.313 4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.291 2.828 1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.320 3.603 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.949 4.500 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.014 4.227 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.437 6.240 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.504 5.965 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 66 7.014 7.469 1.447 1.00 0.00 H new ATOM 896 N ASN A 67 2.711 1.276 5.479 1.00 0.00 N ATOM 897 CA ASN A 67 1.832 0.506 6.352 1.00 0.00 C ATOM 898 C ASN A 67 0.373 0.899 6.137 1.00 0.00 C ATOM 899 O ASN A 67 -0.050 1.991 6.517 1.00 0.00 O ATOM 900 CB ASN A 67 2.218 0.720 7.817 1.00 0.00 C ATOM 901 CG ASN A 67 3.718 0.671 8.032 1.00 0.00 C ATOM 902 OD1 ASN A 67 4.333 -0.393 7.958 1.00 0.00 O ATOM 903 ND2 ASN A 67 4.315 1.827 8.300 1.00 0.00 N ATOM 0 H ASN A 67 3.299 1.953 5.964 1.00 0.00 H new ATOM 0 HA ASN A 67 1.947 -0.549 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.837 1.684 8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.740 -0.043 8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.323 1.857 8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.766 2.685 8.352 1.00 0.00 H new ATOM 910 N PHE A 68 -0.392 0.001 5.525 1.00 0.00 N ATOM 911 CA PHE A 68 -1.803 0.253 5.259 1.00 0.00 C ATOM 912 C PHE A 68 -2.687 -0.500 6.250 1.00 0.00 C ATOM 913 O PHE A 68 -2.449 -1.671 6.542 1.00 0.00 O ATOM 914 CB PHE A 68 -2.156 -0.160 3.828 1.00 0.00 C ATOM 915 CG PHE A 68 -3.609 0.020 3.493 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.544 -0.928 3.875 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.039 1.138 2.796 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.882 -0.765 3.569 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.376 1.306 2.487 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.298 0.353 2.873 1.00 0.00 C ATOM 0 H PHE A 68 -0.058 -0.908 5.204 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.984 1.321 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.556 0.425 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.885 -1.206 3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.224 -1.805 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.322 1.886 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.601 -1.511 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.699 2.182 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.343 0.482 2.631 1.00 0.00 H new ATOM 930 N GLN A 69 -3.705 0.183 6.763 1.00 0.00 N ATOM 931 CA GLN A 69 -4.623 -0.420 7.722 1.00 0.00 C ATOM 932 C GLN A 69 -6.070 -0.097 7.367 1.00 0.00 C ATOM 933 O GLN A 69 -6.476 1.064 7.366 1.00 0.00 O ATOM 934 CB GLN A 69 -4.311 0.071 9.137 1.00 0.00 C ATOM 935 CG GLN A 69 -5.139 -0.611 10.214 1.00 0.00 C ATOM 936 CD GLN A 69 -4.636 -2.002 10.544 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.383 -2.978 10.471 1.00 0.00 O ATOM 938 NE2 GLN A 69 -3.364 -2.100 10.911 1.00 0.00 N ATOM 0 H GLN A 69 -3.915 1.154 6.531 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.491 -1.501 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.254 -0.093 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.482 1.146 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.127 -0.001 11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.176 -0.673 9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.781 -1.264 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.970 -3.011 11.146 1.00 0.00 H new ATOM 947 N GLY A 70 -6.846 -1.134 7.065 1.00 0.00 N ATOM 948 CA GLY A 70 -8.240 -0.940 6.711 1.00 0.00 C ATOM 949 C GLY A 70 -9.186 -1.447 7.782 1.00 0.00 C ATOM 950 O GLY A 70 -8.834 -1.489 8.961 1.00 0.00 O ATOM 0 H GLY A 70 -6.534 -2.105 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.424 0.121 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.449 -1.455 5.773 1.00 0.00 H new ATOM 954 N SER A 71 -10.390 -1.831 7.372 1.00 0.00 N ATOM 955 CA SER A 71 -11.392 -2.332 8.306 1.00 0.00 C ATOM 956 C SER A 71 -11.808 -3.755 7.945 1.00 0.00 C ATOM 957 O SER A 71 -11.872 -4.632 8.805 1.00 0.00 O ATOM 958 CB SER A 71 -12.618 -1.416 8.312 1.00 0.00 C ATOM 959 OG SER A 71 -13.670 -1.979 9.077 1.00 0.00 O ATOM 0 H SER A 71 -10.696 -1.805 6.399 1.00 0.00 H new ATOM 0 HA SER A 71 -10.951 -2.343 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.347 -0.443 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.956 -1.249 7.289 1.00 0.00 H new ATOM 0 HG SER A 71 -14.441 -1.375 9.067 1.00 0.00 H new ATOM 965 N GLY A 72 -12.089 -3.975 6.664 1.00 0.00 N ATOM 966 CA GLY A 72 -12.495 -5.292 6.210 1.00 0.00 C ATOM 967 C GLY A 72 -12.815 -5.322 4.728 1.00 0.00 C ATOM 968 O GLY A 72 -13.111 -4.288 4.130 1.00 0.00 O ATOM 0 H GLY A 72 -12.043 -3.265 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.700 -6.007 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.371 -5.613 6.774 1.00 0.00 H new ATOM 972 N ALA A 73 -12.753 -6.509 4.135 1.00 0.00 N ATOM 973 CA ALA A 73 -13.039 -6.669 2.715 1.00 0.00 C ATOM 974 C ALA A 73 -14.148 -5.724 2.268 1.00 0.00 C ATOM 975 O ALA A 73 -15.009 -5.323 3.052 1.00 0.00 O ATOM 976 CB ALA A 73 -13.418 -8.111 2.411 1.00 0.00 C ATOM 0 H ALA A 73 -12.507 -7.374 4.616 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.136 -6.417 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.629 -8.215 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.593 -8.769 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.304 -8.383 2.985 1.00 0.00 H new ATOM 982 N PRO A 74 -14.130 -5.357 0.978 1.00 0.00 N ATOM 983 CA PRO A 74 -13.111 -5.827 0.035 1.00 0.00 C ATOM 984 C PRO A 74 -11.736 -5.234 0.324 1.00 0.00 C ATOM 985 O PRO A 74 -10.755 -5.567 -0.340 1.00 0.00 O ATOM 986 CB PRO A 74 -13.629 -5.339 -1.320 1.00 0.00 C ATOM 987 CG PRO A 74 -14.483 -4.162 -0.998 1.00 0.00 C ATOM 988 CD PRO A 74 -15.104 -4.454 0.340 1.00 0.00 C ATOM 0 HA PRO A 74 -12.972 -6.907 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.808 -5.063 -1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.201 -6.116 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.890 -3.248 -0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.249 -4.015 -1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.250 -3.544 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.081 -4.926 0.235 1.00 0.00 H new ATOM 996 N GLN A 75 -11.674 -4.355 1.319 1.00 0.00 N ATOM 997 CA GLN A 75 -10.418 -3.716 1.695 1.00 0.00 C ATOM 998 C GLN A 75 -9.480 -4.713 2.368 1.00 0.00 C ATOM 999 O GLN A 75 -9.864 -5.400 3.315 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.682 -2.535 2.631 1.00 0.00 C ATOM 1001 CG GLN A 75 -10.983 -1.236 1.900 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.548 -0.168 2.817 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -10.840 0.377 3.664 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.830 0.136 2.652 1.00 0.00 N ATOM 0 H GLN A 75 -12.477 -4.069 1.879 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.939 -3.351 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.521 -2.779 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.813 -2.389 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.069 -0.865 1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.692 -1.432 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.379 -0.341 1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.265 0.847 3.240 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.250 -4.786 1.873 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.256 -5.700 2.426 1.00 0.00 C ATOM 1015 C LEU A 76 -6.105 -4.930 3.066 1.00 0.00 C ATOM 1016 O LEU A 76 -5.639 -3.928 2.525 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.719 -6.624 1.332 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.555 -7.532 1.731 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.070 -8.809 2.377 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.691 -7.855 0.520 1.00 0.00 C ATOM 0 H LEU A 76 -7.917 -4.224 1.090 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.740 -6.301 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.538 -7.251 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.402 -6.010 0.489 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.941 -7.003 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.227 -9.442 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.645 -8.559 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.708 -9.342 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.868 -8.502 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.294 -8.363 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.292 -6.931 0.101 1.00 0.00 H new ATOM 1032 N SER A 77 -5.651 -5.407 4.221 1.00 0.00 N ATOM 1033 CA SER A 77 -4.556 -4.763 4.936 1.00 0.00 C ATOM 1034 C SER A 77 -3.215 -5.093 4.289 1.00 0.00 C ATOM 1035 O SER A 77 -3.094 -6.070 3.548 1.00 0.00 O ATOM 1036 CB SER A 77 -4.549 -5.200 6.402 1.00 0.00 C ATOM 1037 OG SER A 77 -4.035 -6.514 6.540 1.00 0.00 O ATOM 0 H SER A 77 -6.025 -6.237 4.681 1.00 0.00 H new ATOM 0 HA SER A 77 -4.708 -3.685 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.946 -4.507 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.562 -5.158 6.802 1.00 0.00 H new ATOM 0 HG SER A 77 -4.039 -6.769 7.486 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.209 -4.273 4.573 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.875 -4.477 4.019 1.00 0.00 C ATOM 1045 C LEU A 78 0.195 -3.944 4.966 1.00 0.00 C ATOM 1046 O LEU A 78 -0.030 -2.973 5.688 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.757 -3.790 2.658 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.332 -4.557 1.467 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.304 -3.695 0.214 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.564 -5.851 1.244 1.00 0.00 C ATOM 0 H LEU A 78 -2.292 -3.460 5.184 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.720 -5.549 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.256 -2.823 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.297 -3.593 2.463 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.369 -4.808 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.717 -4.257 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.899 -2.797 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.275 -3.413 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.988 -6.383 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.483 -5.623 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.637 -6.475 2.135 1.00 0.00 H new ATOM 1062 N GLN A 79 1.359 -4.584 4.955 1.00 0.00 N ATOM 1063 CA GLN A 79 2.465 -4.173 5.813 1.00 0.00 C ATOM 1064 C GLN A 79 3.753 -4.031 5.009 1.00 0.00 C ATOM 1065 O GLN A 79 4.047 -4.852 4.139 1.00 0.00 O ATOM 1066 CB GLN A 79 2.664 -5.182 6.944 1.00 0.00 C ATOM 1067 CG GLN A 79 1.784 -4.920 8.155 1.00 0.00 C ATOM 1068 CD GLN A 79 1.643 -6.136 9.049 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.583 -6.524 9.743 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.463 -6.747 9.036 1.00 0.00 N ATOM 0 H GLN A 79 1.561 -5.389 4.362 1.00 0.00 H new ATOM 0 HA GLN A 79 2.217 -3.202 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.459 -6.184 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.709 -5.166 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.203 -4.096 8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.796 -4.604 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.289 -6.391 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.309 -7.571 9.616 1.00 0.00 H new ATOM 1079 N ILE A 80 4.518 -2.986 5.305 1.00 0.00 N ATOM 1080 CA ILE A 80 5.775 -2.738 4.611 1.00 0.00 C ATOM 1081 C ILE A 80 6.627 -4.001 4.547 1.00 0.00 C ATOM 1082 O ILE A 80 6.745 -4.733 5.530 1.00 0.00 O ATOM 1083 CB ILE A 80 6.585 -1.620 5.294 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.792 -0.312 5.293 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.924 -1.434 4.596 1.00 0.00 C ATOM 1086 CD1 ILE A 80 6.480 0.812 6.035 1.00 0.00 C ATOM 0 H ILE A 80 4.289 -2.297 6.021 1.00 0.00 H new ATOM 0 HA ILE A 80 5.519 -2.424 3.599 1.00 0.00 H new ATOM 0 HB ILE A 80 6.773 -1.908 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.618 -0.003 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.815 -0.489 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.485 -0.641 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.491 -2.363 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.756 -1.165 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.861 1.708 5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.630 0.523 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.445 1.016 5.572 1.00 0.00 H new ATOM 1098 N GLY A 81 7.220 -4.251 3.384 1.00 0.00 N ATOM 1099 CA GLY A 81 8.055 -5.426 3.214 1.00 0.00 C ATOM 1100 C GLY A 81 7.249 -6.668 2.892 1.00 0.00 C ATOM 1101 O GLY A 81 7.749 -7.788 3.004 1.00 0.00 O ATOM 0 H GLY A 81 7.137 -3.661 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.773 -5.245 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.629 -5.595 4.125 1.00 0.00 H new ATOM 1105 N ASP A 82 5.998 -6.472 2.492 1.00 0.00 N ATOM 1106 CA ASP A 82 5.120 -7.586 2.152 1.00 0.00 C ATOM 1107 C ASP A 82 4.861 -7.636 0.650 1.00 0.00 C ATOM 1108 O ASP A 82 4.578 -6.615 0.024 1.00 0.00 O ATOM 1109 CB ASP A 82 3.795 -7.467 2.907 1.00 0.00 C ATOM 1110 CG ASP A 82 3.977 -7.529 4.411 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.978 -6.975 4.910 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.119 -8.133 5.088 1.00 0.00 O ATOM 0 H ASP A 82 5.568 -5.552 2.395 1.00 0.00 H new ATOM 0 HA ASP A 82 5.616 -8.511 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.312 -6.527 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.127 -8.269 2.592 1.00 0.00 H new ATOM 1117 N VAL A 83 4.962 -8.832 0.077 1.00 0.00 N ATOM 1118 CA VAL A 83 4.739 -9.015 -1.352 1.00 0.00 C ATOM 1119 C VAL A 83 3.385 -9.664 -1.619 1.00 0.00 C ATOM 1120 O VAL A 83 2.975 -10.584 -0.911 1.00 0.00 O ATOM 1121 CB VAL A 83 5.844 -9.881 -1.986 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.562 -10.110 -3.463 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.206 -9.233 -1.789 1.00 0.00 C ATOM 0 H VAL A 83 5.197 -9.687 0.581 1.00 0.00 H new ATOM 0 HA VAL A 83 4.759 -8.024 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 83 5.852 -10.851 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.353 -10.724 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.605 -10.620 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.525 -9.151 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.975 -9.858 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.213 -8.250 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.407 -9.126 -0.723 1.00 0.00 H new ATOM 1133 N VAL A 84 2.694 -9.179 -2.645 1.00 0.00 N ATOM 1134 CA VAL A 84 1.386 -9.712 -3.007 1.00 0.00 C ATOM 1135 C VAL A 84 1.320 -10.045 -4.493 1.00 0.00 C ATOM 1136 O VAL A 84 1.916 -9.356 -5.321 1.00 0.00 O ATOM 1137 CB VAL A 84 0.260 -8.718 -2.664 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.143 -8.543 -1.158 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.504 -7.382 -3.348 1.00 0.00 C ATOM 0 H VAL A 84 3.018 -8.417 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 84 1.245 -10.624 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.683 -9.122 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.657 -7.837 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.082 -9.505 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.084 -8.161 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.301 -6.691 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.455 -6.969 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.532 -7.526 -4.428 1.00 0.00 H new ATOM 1149 N ARG A 85 0.591 -11.106 -4.824 1.00 0.00 N ATOM 1150 CA ARG A 85 0.448 -11.532 -6.211 1.00 0.00 C ATOM 1151 C ARG A 85 -0.662 -10.750 -6.908 1.00 0.00 C ATOM 1152 O ARG A 85 -1.844 -11.055 -6.746 1.00 0.00 O ATOM 1153 CB ARG A 85 0.151 -13.031 -6.279 1.00 0.00 C ATOM 1154 CG ARG A 85 0.676 -13.699 -7.539 1.00 0.00 C ATOM 1155 CD ARG A 85 2.179 -13.920 -7.468 1.00 0.00 C ATOM 1156 NE ARG A 85 2.517 -15.173 -6.798 1.00 0.00 N ATOM 1157 CZ ARG A 85 2.468 -16.360 -7.391 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.097 -16.456 -8.661 1.00 0.00 N ATOM 1159 NH2 ARG A 85 2.791 -17.455 -6.715 1.00 0.00 N ATOM 0 H ARG A 85 0.090 -11.686 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 85 1.388 -11.332 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.590 -13.520 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.927 -13.182 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.173 -14.655 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.439 -13.082 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.593 -13.925 -8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.643 -13.089 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 85 2.807 -15.134 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.848 -15.617 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.060 -17.369 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.077 -17.386 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.753 -18.366 -7.172 1.00 0.00 H new ATOM 1173 N ILE A 86 -0.274 -9.742 -7.681 1.00 0.00 N ATOM 1174 CA ILE A 86 -1.236 -8.918 -8.402 1.00 0.00 C ATOM 1175 C ILE A 86 -1.902 -9.706 -9.525 1.00 0.00 C ATOM 1176 O ILE A 86 -1.240 -10.144 -10.466 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.569 -7.663 -8.996 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.055 -6.816 -7.885 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.583 -6.848 -9.785 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.080 -5.824 -8.385 1.00 0.00 C ATOM 0 H ILE A 86 0.700 -9.476 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.992 -8.610 -7.680 1.00 0.00 H new ATOM 0 HB ILE A 86 0.223 -7.977 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.736 -6.277 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.526 -7.476 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.097 -5.964 -10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.985 -7.454 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.395 -6.540 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.480 -5.259 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.890 -6.357 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.610 -5.140 -9.091 1.00 0.00 H new ATOM 1192 N GLN A 87 -3.215 -9.880 -9.420 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.971 -10.614 -10.428 1.00 0.00 C ATOM 1194 C GLN A 87 -4.840 -9.669 -11.252 1.00 0.00 C ATOM 1195 O GLN A 87 -4.985 -9.841 -12.462 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.844 -11.681 -9.765 1.00 0.00 C ATOM 1197 CG GLN A 87 -4.075 -12.600 -8.830 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.669 -13.993 -8.762 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.460 -14.386 -9.620 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.291 -14.750 -7.738 1.00 0.00 N ATOM 0 H GLN A 87 -3.777 -9.523 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.260 -11.100 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.641 -11.191 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.321 -12.281 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.039 -12.667 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.061 -12.166 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.633 -14.385 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.659 -15.696 -7.640 1.00 0.00 H new ATOM 1209 N GLU A 88 -5.416 -8.673 -10.588 1.00 0.00 N ATOM 1210 CA GLU A 88 -6.272 -7.702 -11.259 1.00 0.00 C ATOM 1211 C GLU A 88 -5.821 -6.276 -10.955 1.00 0.00 C ATOM 1212 O GLU A 88 -5.047 -6.042 -10.026 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.729 -7.890 -10.830 1.00 0.00 C ATOM 1214 CG GLU A 88 -8.504 -8.853 -11.714 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.004 -8.201 -12.989 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -8.241 -7.418 -13.593 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -10.157 -8.474 -13.383 1.00 0.00 O ATOM 0 H GLU A 88 -5.306 -8.517 -9.586 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.193 -7.868 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.752 -8.254 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.229 -6.921 -10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.866 -9.699 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.352 -9.250 -11.156 1.00 0.00 H new ATOM 1224 N THR A 89 -6.310 -5.325 -11.745 1.00 0.00 N ATOM 1225 CA THR A 89 -5.957 -3.923 -11.563 1.00 0.00 C ATOM 1226 C THR A 89 -7.131 -3.012 -11.903 1.00 0.00 C ATOM 1227 O THR A 89 -7.571 -2.954 -13.052 1.00 0.00 O ATOM 1228 CB THR A 89 -4.748 -3.531 -12.433 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.593 -4.275 -12.030 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.462 -2.041 -12.321 1.00 0.00 C ATOM 0 H THR A 89 -6.952 -5.501 -12.518 1.00 0.00 H new ATOM 0 HA THR A 89 -5.695 -3.796 -10.512 1.00 0.00 H new ATOM 0 HB THR A 89 -4.985 -3.763 -13.471 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.135 -3.801 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.604 -1.787 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.333 -1.477 -12.656 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.244 -1.789 -11.283 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.633 -2.302 -10.899 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.756 -1.392 -11.093 1.00 0.00 C ATOM 1240 C CYS A 90 -8.386 0.026 -10.672 1.00 0.00 C ATOM 1241 O CYS A 90 -7.860 0.244 -9.582 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.971 -1.873 -10.298 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.664 -3.437 -10.883 1.00 0.00 S ATOM 0 H CYS A 90 -7.280 -2.339 -9.943 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.005 -1.382 -12.154 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.687 -1.983 -9.251 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.745 -1.107 -10.339 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.685 -3.761 -10.147 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.664 0.989 -11.546 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.353 2.375 -11.248 1.00 0.00 C ATOM 1251 C GLY A 91 -7.063 2.523 -10.465 1.00 0.00 C ATOM 1252 O GLY A 91 -6.036 1.952 -10.833 1.00 0.00 O ATOM 0 H GLY A 91 -9.099 0.834 -12.455 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.276 2.935 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.172 2.814 -10.679 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.114 3.293 -9.384 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.940 3.516 -8.547 1.00 0.00 C ATOM 1258 C ASP A 92 -5.893 2.512 -7.400 1.00 0.00 C ATOM 1259 O ASP A 92 -5.572 2.867 -6.265 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.945 4.942 -7.995 1.00 0.00 C ATOM 1261 CG ASP A 92 -5.599 5.973 -9.051 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -4.638 5.742 -9.814 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -6.291 7.011 -9.115 1.00 0.00 O ATOM 0 H ASP A 92 -7.956 3.774 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.052 3.377 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.929 5.165 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.231 5.013 -7.174 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.216 1.260 -7.702 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.211 0.205 -6.695 1.00 0.00 C ATOM 1270 C TRP A 93 -5.941 -1.154 -7.331 1.00 0.00 C ATOM 1271 O TRP A 93 -6.393 -1.430 -8.443 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.546 0.177 -5.950 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.827 1.436 -5.186 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.107 2.666 -5.709 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.852 1.587 -3.763 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.305 3.573 -4.696 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.155 2.936 -3.493 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.650 0.715 -2.690 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.259 3.430 -2.195 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.754 1.206 -1.403 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.057 2.553 -1.164 1.00 0.00 C ATOM 0 H TRP A 93 -6.485 0.950 -8.636 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.411 0.418 -5.986 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.350 0.008 -6.666 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.551 -0.667 -5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.164 2.892 -6.763 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.528 4.561 -4.820 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.417 -0.325 -2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.491 4.468 -2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.599 0.540 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.133 2.906 -0.146 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.204 -1.999 -6.620 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.872 -3.329 -7.117 1.00 0.00 C ATOM 1294 C TYR A 94 -5.874 -4.364 -6.614 1.00 0.00 C ATOM 1295 O TYR A 94 -6.729 -4.063 -5.781 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.458 -3.720 -6.685 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.371 -3.059 -7.502 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.294 -3.248 -8.876 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.421 -2.243 -6.899 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.302 -2.646 -9.626 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.427 -1.635 -7.641 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.371 -1.840 -9.003 1.00 0.00 C ATOM 1303 OH TYR A 94 0.618 -1.237 -9.747 1.00 0.00 O ATOM 0 H TYR A 94 -4.825 -1.787 -5.697 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.918 -3.304 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.322 -3.458 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.350 -4.802 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.022 -3.877 -9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.461 -2.082 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.255 -2.805 -10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.302 -1.003 -7.157 1.00 0.00 H new ATOM 0 HH TYR A 94 1.191 -0.703 -9.158 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.760 -5.586 -7.125 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.655 -6.666 -6.729 1.00 0.00 C ATOM 1315 C ARG A 95 -5.917 -8.001 -6.700 1.00 0.00 C ATOM 1316 O ARG A 95 -5.560 -8.547 -7.743 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.844 -6.749 -7.688 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.607 -8.061 -7.600 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.473 -8.119 -6.351 1.00 0.00 C ATOM 1320 NE ARG A 95 -10.087 -9.432 -6.171 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.444 -10.482 -5.674 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.174 -10.374 -5.309 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.071 -11.644 -5.541 1.00 0.00 N ATOM 0 H ARG A 95 -5.057 -5.852 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.021 -6.451 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.527 -5.926 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.487 -6.614 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.233 -8.179 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.903 -8.893 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.866 -7.880 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.253 -7.360 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.063 -9.549 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.688 -9.483 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.683 -11.182 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.048 -11.731 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.576 -12.450 -5.159 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.691 -8.521 -5.497 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.996 -9.787 -5.355 1.00 0.00 C ATOM 1339 C GLY A 96 -5.039 -10.315 -3.935 1.00 0.00 C ATOM 1340 O GLY A 96 -6.065 -10.219 -3.260 1.00 0.00 O ATOM 0 H GLY A 96 -5.977 -8.088 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.443 -10.521 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.958 -9.665 -5.663 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.924 -10.877 -3.480 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.840 -11.427 -2.133 1.00 0.00 C ATOM 1346 C TYR A 97 -2.391 -11.502 -1.664 1.00 0.00 C ATOM 1347 O TYR A 97 -1.461 -11.328 -2.453 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.475 -12.818 -2.086 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.790 -13.826 -2.981 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.478 -14.216 -2.744 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.455 -14.388 -4.064 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.848 -15.136 -3.559 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.833 -15.310 -4.884 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.529 -15.681 -4.627 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.906 -16.598 -5.442 1.00 0.00 O ATOM 0 H TYR A 97 -3.066 -10.963 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.386 -10.763 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.455 -13.183 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.523 -12.740 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.941 -13.792 -1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.475 -14.099 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.827 -15.427 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.364 -15.738 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.525 -16.884 -6.146 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.205 -11.762 -0.375 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.869 -11.861 0.202 1.00 0.00 C ATOM 1367 C LEU A 98 -0.242 -13.217 -0.107 1.00 0.00 C ATOM 1368 O LEU A 98 -0.743 -14.256 0.323 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.927 -11.646 1.715 1.00 0.00 C ATOM 1370 CG LEU A 98 0.321 -11.037 2.355 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.696 -9.737 1.662 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.098 -10.806 3.843 1.00 0.00 C ATOM 0 H LEU A 98 -2.963 -11.908 0.291 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.249 -11.084 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.777 -11.001 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.123 -12.607 2.191 1.00 0.00 H new ATOM 0 HG LEU A 98 1.147 -11.739 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.586 -9.318 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.898 -9.931 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.127 -9.028 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.996 -10.372 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.741 -10.124 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.122 -11.756 4.330 1.00 0.00 H new ATOM 1384 N ILE A 99 0.858 -13.198 -0.853 1.00 0.00 N ATOM 1385 CA ILE A 99 1.555 -14.426 -1.216 1.00 0.00 C ATOM 1386 C ILE A 99 1.962 -15.214 0.024 1.00 0.00 C ATOM 1387 O ILE A 99 1.652 -16.399 0.150 1.00 0.00 O ATOM 1388 CB ILE A 99 2.810 -14.132 -2.060 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.446 -13.278 -3.276 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.470 -15.431 -2.497 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.621 -12.528 -3.861 1.00 0.00 C ATOM 0 H ILE A 99 1.285 -12.347 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 99 0.860 -15.021 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 99 3.519 -13.574 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.016 -13.920 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.675 -12.563 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.355 -15.207 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.760 -16.006 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.768 -16.013 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.289 -11.944 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.038 -11.860 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.384 -13.238 -4.179 1.00 0.00 H new ATOM 1403 N LYS A 100 2.657 -14.548 0.939 1.00 0.00 N ATOM 1404 CA LYS A 100 3.105 -15.184 2.173 1.00 0.00 C ATOM 1405 C LYS A 100 1.926 -15.772 2.941 1.00 0.00 C ATOM 1406 O LYS A 100 2.085 -16.719 3.712 1.00 0.00 O ATOM 1407 CB LYS A 100 3.847 -14.174 3.051 1.00 0.00 C ATOM 1408 CG LYS A 100 3.129 -12.841 3.185 1.00 0.00 C ATOM 1409 CD LYS A 100 3.850 -11.914 4.149 1.00 0.00 C ATOM 1410 CE LYS A 100 4.879 -11.054 3.431 1.00 0.00 C ATOM 1411 NZ LYS A 100 6.218 -11.704 3.396 1.00 0.00 N ATOM 0 H LYS A 100 2.923 -13.567 0.850 1.00 0.00 H new ATOM 0 HA LYS A 100 3.784 -15.995 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.988 -14.602 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.839 -14.002 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.057 -12.366 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.110 -13.009 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.125 -11.273 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.343 -12.503 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.543 -10.860 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.957 -10.088 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.900 -11.122 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.158 -12.646 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.532 -11.799 2.409 1.00 0.00 H new ATOM 1425 N HIS A 101 0.743 -15.206 2.725 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.464 -15.677 3.396 1.00 0.00 C ATOM 1427 C HIS A 101 -1.671 -15.591 2.466 1.00 0.00 C ATOM 1428 O HIS A 101 -2.196 -14.507 2.212 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.721 -14.859 4.662 1.00 0.00 C ATOM 1430 CG HIS A 101 0.340 -15.022 5.706 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.535 -16.196 6.403 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.268 -14.152 6.169 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.536 -16.040 7.251 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.998 -14.809 7.129 1.00 0.00 N ATOM 0 H HIS A 101 0.594 -14.421 2.091 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.314 -16.721 3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.797 -13.805 4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.683 -15.151 5.084 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.408 -13.132 5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.913 -16.792 7.929 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.772 -14.411 7.661 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.106 -16.740 1.961 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.251 -16.796 1.060 1.00 0.00 C ATOM 1445 C LYS A 102 -4.559 -16.820 1.844 1.00 0.00 C ATOM 1446 O LYS A 102 -5.599 -17.221 1.322 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.159 -18.032 0.162 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.105 -17.917 -0.925 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.485 -18.721 -2.157 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.261 -19.096 -2.978 1.00 0.00 C ATOM 1451 NZ LYS A 102 -1.612 -19.968 -4.133 1.00 0.00 N ATOM 0 H LYS A 102 -1.682 -17.646 2.161 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.237 -15.901 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.939 -18.903 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.130 -18.207 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.976 -16.870 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.146 -18.267 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.012 -19.626 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.174 -18.142 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.776 -18.190 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.540 -19.609 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.750 -20.201 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.051 -20.844 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.280 -19.469 -4.755 1.00 0.00 H new ATOM 1465 N MET A 103 -4.500 -16.387 3.099 1.00 0.00 N ATOM 1466 CA MET A 103 -5.681 -16.356 3.953 1.00 0.00 C ATOM 1467 C MET A 103 -6.344 -14.983 3.915 1.00 0.00 C ATOM 1468 O MET A 103 -7.466 -14.810 4.393 1.00 0.00 O ATOM 1469 CB MET A 103 -5.306 -16.714 5.392 1.00 0.00 C ATOM 1470 CG MET A 103 -4.732 -18.114 5.540 1.00 0.00 C ATOM 1471 SD MET A 103 -5.845 -19.390 4.919 1.00 0.00 S ATOM 1472 CE MET A 103 -5.107 -19.736 3.324 1.00 0.00 C ATOM 0 H MET A 103 -3.647 -16.053 3.547 1.00 0.00 H new ATOM 0 HA MET A 103 -6.390 -17.093 3.576 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.578 -15.991 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.191 -16.624 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.784 -18.172 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.517 -18.305 6.591 1.00 0.00 H new ATOM 0 HE1 MET A 103 -5.776 -19.398 2.533 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.155 -19.212 3.242 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.940 -20.809 3.225 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.644 -14.008 3.345 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.165 -12.649 3.245 1.00 0.00 C ATOM 1484 C LEU A 104 -6.216 -12.191 1.791 1.00 0.00 C ATOM 1485 O LEU A 104 -5.190 -12.129 1.114 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.300 -11.689 4.064 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.716 -12.251 5.361 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.530 -13.155 5.064 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.308 -11.121 6.295 1.00 0.00 C ATOM 0 H LEU A 104 -4.714 -14.133 2.945 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.179 -12.645 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.477 -11.348 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.899 -10.812 4.309 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.484 -12.845 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.127 -13.546 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.853 -13.983 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.758 -12.585 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.895 -11.539 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.556 -10.500 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.181 -10.513 6.534 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.416 -11.871 1.319 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.600 -11.417 -0.054 1.00 0.00 C ATOM 1503 C GLN A 105 -8.469 -10.164 -0.102 1.00 0.00 C ATOM 1504 O GLN A 105 -9.360 -9.982 0.726 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.235 -12.524 -0.898 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.518 -13.860 -0.788 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.867 -14.805 -1.921 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.459 -14.400 -2.922 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.502 -16.072 -1.769 1.00 0.00 N ATOM 0 H GLN A 105 -8.275 -11.918 1.867 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.620 -11.173 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.273 -12.652 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.246 -12.212 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.441 -13.691 -0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.774 -14.328 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.013 -16.364 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.710 -16.754 -2.498 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.201 -9.301 -1.077 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.966 -8.076 -1.214 1.00 0.00 C ATOM 1520 C GLY A 106 -8.319 -7.092 -2.169 1.00 0.00 C ATOM 1521 O GLY A 106 -7.730 -7.489 -3.175 1.00 0.00 O ATOM 0 H GLY A 106 -7.468 -9.429 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.969 -8.315 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.076 -7.609 -0.235 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.431 -5.806 -1.856 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.852 -4.763 -2.695 1.00 0.00 C ATOM 1527 C ILE A 107 -7.037 -3.778 -1.864 1.00 0.00 C ATOM 1528 O ILE A 107 -7.224 -3.669 -0.652 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.941 -3.991 -3.464 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.983 -3.432 -2.493 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.600 -4.892 -4.497 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.944 -2.455 -3.134 1.00 0.00 C ATOM 0 H ILE A 107 -8.917 -5.461 -1.028 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.197 -5.260 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.474 -3.156 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.550 -4.259 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.470 -2.937 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.367 -4.332 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.849 -5.245 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.057 -5.746 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.654 -2.100 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.388 -1.609 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.484 -2.952 -3.940 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.134 -3.061 -2.524 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.290 -2.084 -1.846 1.00 0.00 C ATOM 1546 C PHE A 108 -4.843 -0.989 -2.811 1.00 0.00 C ATOM 1547 O PHE A 108 -4.868 -1.154 -4.031 1.00 0.00 O ATOM 1548 CB PHE A 108 -4.067 -2.771 -1.235 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.627 -3.993 -1.989 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -4.216 -5.223 -1.745 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.625 -3.911 -2.942 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.812 -6.349 -2.437 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.217 -5.034 -3.638 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.812 -6.255 -3.385 1.00 0.00 C ATOM 0 H PHE A 108 -5.968 -3.138 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.876 -1.626 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.242 -2.060 -1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.293 -3.051 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.999 -5.303 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.157 -2.959 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.278 -7.302 -2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.434 -4.957 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.496 -7.134 -3.927 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.426 0.157 -2.253 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.965 1.301 -3.044 1.00 0.00 C ATOM 1566 C PRO A 109 -2.629 1.033 -3.729 1.00 0.00 C ATOM 1567 O PRO A 109 -1.676 0.579 -3.096 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.820 2.416 -2.005 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.588 1.704 -0.717 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.369 0.423 -0.805 1.00 0.00 C ATOM 0 HA PRO A 109 -4.655 1.541 -3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.988 3.078 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.716 3.034 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.527 1.504 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.921 2.307 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.876 -0.386 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.366 0.530 -0.376 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.567 1.318 -5.025 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.347 1.109 -5.796 1.00 0.00 C ATOM 1580 C LYS A 110 -0.198 1.938 -5.232 1.00 0.00 C ATOM 1581 O LYS A 110 0.947 1.486 -5.194 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.579 1.473 -7.265 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.716 0.700 -7.910 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.165 1.350 -9.208 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.219 1.021 -10.353 1.00 0.00 C ATOM 1586 NZ LYS A 110 -1.111 2.010 -10.459 1.00 0.00 N ATOM 0 H LYS A 110 -3.347 1.694 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.079 0.055 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.789 2.540 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.662 1.290 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.396 -0.324 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.558 0.645 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.171 1.011 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.216 2.431 -9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.803 0.024 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.776 0.998 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.878 2.165 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.407 2.910 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.273 1.647 -9.961 1.00 0.00 H new ATOM 1600 N SER A 111 -0.510 3.153 -4.793 1.00 0.00 N ATOM 1601 CA SER A 111 0.497 4.046 -4.232 1.00 0.00 C ATOM 1602 C SER A 111 1.228 3.379 -3.071 1.00 0.00 C ATOM 1603 O SER A 111 2.294 3.832 -2.652 1.00 0.00 O ATOM 1604 CB SER A 111 -0.152 5.349 -3.760 1.00 0.00 C ATOM 1605 OG SER A 111 -1.083 5.107 -2.720 1.00 0.00 O ATOM 0 H SER A 111 -1.453 3.542 -4.815 1.00 0.00 H new ATOM 0 HA SER A 111 1.222 4.272 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.618 6.037 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.655 5.833 -4.597 1.00 0.00 H new ATOM 0 HG SER A 111 -1.483 5.955 -2.435 1.00 0.00 H new ATOM 1611 N PHE A 112 0.648 2.301 -2.556 1.00 0.00 N ATOM 1612 CA PHE A 112 1.243 1.570 -1.443 1.00 0.00 C ATOM 1613 C PHE A 112 2.048 0.375 -1.944 1.00 0.00 C ATOM 1614 O PHE A 112 2.977 -0.085 -1.279 1.00 0.00 O ATOM 1615 CB PHE A 112 0.155 1.097 -0.476 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.300 2.162 0.481 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.974 3.282 0.022 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.055 2.041 1.840 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.393 4.263 0.901 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.473 3.018 2.723 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.143 4.131 2.253 1.00 0.00 C ATOM 0 H PHE A 112 -0.234 1.914 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 112 1.918 2.245 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.702 0.745 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.530 0.245 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.174 3.390 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.469 1.173 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.916 5.133 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.276 2.912 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.471 4.896 2.941 1.00 0.00 H new ATOM 1631 N ILE A 113 1.685 -0.123 -3.121 1.00 0.00 N ATOM 1632 CA ILE A 113 2.373 -1.264 -3.713 1.00 0.00 C ATOM 1633 C ILE A 113 3.504 -0.809 -4.629 1.00 0.00 C ATOM 1634 O ILE A 113 3.305 0.026 -5.511 1.00 0.00 O ATOM 1635 CB ILE A 113 1.404 -2.152 -4.514 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.215 -2.563 -3.643 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.128 -3.380 -5.046 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.619 -3.224 -2.343 1.00 0.00 C ATOM 0 H ILE A 113 0.918 0.246 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 113 2.788 -1.845 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 113 1.028 -1.580 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.385 -1.680 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.419 -3.247 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.430 -3.998 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.944 -3.067 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.530 -3.955 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.274 -3.489 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.194 -4.125 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.228 -2.535 -1.758 1.00 0.00 H new ATOM 1650 N HIS A 114 4.692 -1.365 -4.414 1.00 0.00 N ATOM 1651 CA HIS A 114 5.856 -1.019 -5.223 1.00 0.00 C ATOM 1652 C HIS A 114 6.098 -2.068 -6.304 1.00 0.00 C ATOM 1653 O HIS A 114 6.654 -3.133 -6.035 1.00 0.00 O ATOM 1654 CB HIS A 114 7.096 -0.885 -4.339 1.00 0.00 C ATOM 1655 CG HIS A 114 8.330 -0.495 -5.092 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.469 0.719 -5.732 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.486 -1.166 -5.306 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.657 0.777 -6.307 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.294 -0.354 -6.063 1.00 0.00 N ATOM 0 H HIS A 114 4.874 -2.057 -3.687 1.00 0.00 H new ATOM 0 HA HIS A 114 5.659 -0.063 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.902 -0.141 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.274 -1.833 -3.832 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.728 -2.156 -4.948 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.042 1.608 -6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.234 -0.586 -6.385 1.00 0.00 H new ATOM 1668 N ILE A 115 5.677 -1.760 -7.526 1.00 0.00 N ATOM 1669 CA ILE A 115 5.849 -2.676 -8.646 1.00 0.00 C ATOM 1670 C ILE A 115 7.323 -2.844 -8.998 1.00 0.00 C ATOM 1671 O ILE A 115 7.941 -1.949 -9.577 1.00 0.00 O ATOM 1672 CB ILE A 115 5.087 -2.189 -9.893 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.613 -1.956 -9.558 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.227 -3.196 -11.025 1.00 0.00 C ATOM 1675 CD1 ILE A 115 2.877 -3.216 -9.160 1.00 0.00 C ATOM 0 H ILE A 115 5.214 -0.883 -7.765 1.00 0.00 H new ATOM 0 HA ILE A 115 5.441 -3.637 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 115 5.519 -1.243 -10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.543 -1.232 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.118 -1.513 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.683 -2.838 -11.899 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.281 -3.316 -11.277 1.00 0.00 H new ATOM 0 HG23 ILE A 115 4.817 -4.156 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.838 -2.975 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.915 -3.934 -9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.347 -3.648 -8.277 1.00 0.00 H new ATOM 1687 N LYS A 116 7.882 -3.996 -8.646 1.00 0.00 N ATOM 1688 CA LYS A 116 9.284 -4.285 -8.927 1.00 0.00 C ATOM 1689 C LYS A 116 9.502 -4.524 -10.418 1.00 0.00 C ATOM 1690 O LYS A 116 8.911 -5.432 -11.002 1.00 0.00 O ATOM 1691 CB LYS A 116 9.743 -5.508 -8.130 1.00 0.00 C ATOM 1692 CG LYS A 116 9.802 -5.271 -6.631 1.00 0.00 C ATOM 1693 CD LYS A 116 10.183 -6.536 -5.881 1.00 0.00 C ATOM 1694 CE LYS A 116 10.923 -6.217 -4.591 1.00 0.00 C ATOM 1695 NZ LYS A 116 10.943 -7.381 -3.661 1.00 0.00 N ATOM 0 H LYS A 116 7.386 -4.746 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 116 9.875 -3.420 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.065 -6.338 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.730 -5.810 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.527 -4.486 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.833 -4.916 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.285 -7.110 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.810 -7.162 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.946 -5.920 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.448 -5.368 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.952 -7.040 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.097 -7.965 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.794 -7.952 -3.837 1.00 0.00 H new ATOM 1709 N GLU A 117 10.355 -3.705 -11.025 1.00 0.00 N ATOM 1710 CA GLU A 117 10.650 -3.830 -12.448 1.00 0.00 C ATOM 1711 C GLU A 117 12.106 -4.233 -12.668 1.00 0.00 C ATOM 1712 O GLU A 117 12.960 -3.390 -12.943 1.00 0.00 O ATOM 1713 CB GLU A 117 10.360 -2.512 -13.169 1.00 0.00 C ATOM 1714 CG GLU A 117 8.905 -2.350 -13.577 1.00 0.00 C ATOM 1715 CD GLU A 117 8.556 -0.918 -13.936 1.00 0.00 C ATOM 1716 OE1 GLU A 117 8.810 -0.020 -13.106 1.00 0.00 O ATOM 1717 OE2 GLU A 117 8.030 -0.696 -15.047 1.00 0.00 O ATOM 0 H GLU A 117 10.853 -2.949 -10.555 1.00 0.00 H new ATOM 0 HA GLU A 117 10.009 -4.610 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.641 -1.683 -12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.987 -2.448 -14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.697 -2.996 -14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.263 -2.683 -12.761 1.00 0.00 H new ATOM 1724 N VAL A 118 12.381 -5.527 -12.544 1.00 0.00 N ATOM 1725 CA VAL A 118 13.732 -6.043 -12.729 1.00 0.00 C ATOM 1726 C VAL A 118 13.779 -7.068 -13.857 1.00 0.00 C ATOM 1727 O VAL A 118 14.514 -6.904 -14.831 1.00 0.00 O ATOM 1728 CB VAL A 118 14.267 -6.691 -11.438 1.00 0.00 C ATOM 1729 CG1 VAL A 118 15.652 -7.277 -11.669 1.00 0.00 C ATOM 1730 CG2 VAL A 118 14.290 -5.678 -10.304 1.00 0.00 C ATOM 0 H VAL A 118 11.686 -6.238 -12.316 1.00 0.00 H new ATOM 0 HA VAL A 118 14.363 -5.193 -12.988 1.00 0.00 H new ATOM 0 HB VAL A 118 13.598 -7.503 -11.155 1.00 0.00 H new ATOM 0 HG11 VAL A 118 16.014 -7.730 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.600 -8.036 -12.450 1.00 0.00 H new ATOM 0 HG13 VAL A 118 16.335 -6.485 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.671 -6.153 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 118 14.936 -4.843 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.280 -5.311 -10.123 1.00 0.00 H new ATOM 1740 N THR A 119 12.988 -8.128 -13.719 1.00 0.00 N ATOM 1741 CA THR A 119 12.939 -9.181 -14.725 1.00 0.00 C ATOM 1742 C THR A 119 12.841 -8.596 -16.129 1.00 0.00 C ATOM 1743 O THR A 119 13.626 -8.940 -17.013 1.00 0.00 O ATOM 1744 CB THR A 119 11.747 -10.127 -14.491 1.00 0.00 C ATOM 1745 OG1 THR A 119 11.725 -10.560 -13.127 1.00 0.00 O ATOM 1746 CG2 THR A 119 11.826 -11.336 -15.411 1.00 0.00 C ATOM 0 H THR A 119 12.373 -8.279 -12.920 1.00 0.00 H new ATOM 0 HA THR A 119 13.866 -9.748 -14.634 1.00 0.00 H new ATOM 0 HB THR A 119 10.830 -9.581 -14.713 1.00 0.00 H new ATOM 0 HG1 THR A 119 10.963 -11.160 -12.986 1.00 0.00 H new ATOM 0 HG21 THR A 119 10.973 -11.990 -15.227 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.812 -11.005 -16.449 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.750 -11.881 -15.217 1.00 0.00 H new TER 1754 THR A 119