USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 26 LYS NZ :NH3+ -148:sc= -0.157 (180deg=-1.87) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 2 SER OG : rot -35:sc= 0.137 USER MOD Single : A 3 HIS : no HD1:sc= -0.0895 X(o=-0.089,f=-0.34) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 74:sc= 0.97 USER MOD Single : A 8 SER OG : rot 72:sc= 0.836 USER MOD Single : A 12 SER OG : rot 72:sc= 0.845 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -3:sc= 0.266 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.524 (180deg=0.419) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 138:sc= 1.71 USER MOD Single : A 57 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.722 K(o=0.72,f=-0.037) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 SER OG : rot 180:sc=0.000603 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.669 K(o=0.67,f=-0.0066) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.486 K(o=0.49,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 18.591 15.489 -7.569 1.00 1.00 N ATOM 9 CA SER A 2 17.757 15.136 -6.405 1.00 1.00 C ATOM 10 C SER A 2 16.340 14.688 -6.787 1.00 1.00 C ATOM 11 O SER A 2 15.813 13.741 -6.207 1.00 1.00 O ATOM 12 CB SER A 2 17.693 16.317 -5.428 1.00 1.00 C ATOM 13 OG SER A 2 17.246 17.496 -6.087 1.00 1.00 O ATOM 0 HA SER A 2 18.234 14.281 -5.926 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.019 16.078 -4.605 1.00 1.00 H new ATOM 0 HB3 SER A 2 18.678 16.489 -4.994 1.00 1.00 H new ATOM 0 HG SER A 2 17.593 17.510 -7.003 1.00 1.00 H new ATOM 19 N HIS A 3 15.755 15.293 -7.825 1.00 1.00 N ATOM 20 CA HIS A 3 14.473 14.892 -8.413 1.00 1.00 C ATOM 21 C HIS A 3 14.463 13.437 -8.922 1.00 1.00 C ATOM 22 O HIS A 3 13.450 12.745 -8.790 1.00 1.00 O ATOM 23 CB HIS A 3 14.110 15.882 -9.535 1.00 1.00 C ATOM 24 CG HIS A 3 15.172 16.033 -10.602 1.00 1.00 C ATOM 25 ND1 HIS A 3 16.161 16.993 -10.638 1.00 1.00 N ATOM 26 CD2 HIS A 3 15.347 15.237 -11.702 1.00 1.00 C ATOM 27 CE1 HIS A 3 16.920 16.775 -11.727 1.00 1.00 C ATOM 28 NE2 HIS A 3 16.463 15.708 -12.408 1.00 1.00 N ATOM 0 H HIS A 3 16.172 16.098 -8.293 1.00 1.00 H new ATOM 0 HA HIS A 3 13.718 14.925 -7.627 1.00 1.00 H new ATOM 0 HB2 HIS A 3 13.183 15.555 -10.006 1.00 1.00 H new ATOM 0 HB3 HIS A 3 13.915 16.859 -9.092 1.00 1.00 H new ATOM 0 HD2 HIS A 3 14.732 14.393 -11.978 1.00 1.00 H new ATOM 0 HE1 HIS A 3 17.774 17.371 -12.014 1.00 1.00 H new ATOM 0 HE2 HIS A 3 16.851 15.319 -13.267 1.00 1.00 H new ATOM 36 N MET A 4 15.583 12.939 -9.462 1.00 1.00 N ATOM 37 CA MET A 4 15.717 11.547 -9.912 1.00 1.00 C ATOM 38 C MET A 4 15.901 10.581 -8.733 1.00 1.00 C ATOM 39 O MET A 4 15.364 9.473 -8.759 1.00 1.00 O ATOM 40 CB MET A 4 16.880 11.437 -10.914 1.00 1.00 C ATOM 41 CG MET A 4 16.994 10.043 -11.548 1.00 1.00 C ATOM 42 SD MET A 4 15.532 9.495 -12.477 1.00 1.00 S ATOM 43 CE MET A 4 16.038 7.792 -12.844 1.00 1.00 C ATOM 0 H MET A 4 16.427 13.494 -9.600 1.00 1.00 H new ATOM 0 HA MET A 4 14.793 11.256 -10.411 1.00 1.00 H new ATOM 0 HB2 MET A 4 16.746 12.179 -11.701 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.814 11.677 -10.406 1.00 1.00 H new ATOM 0 HG2 MET A 4 17.854 10.035 -12.217 1.00 1.00 H new ATOM 0 HG3 MET A 4 17.197 9.318 -10.760 1.00 1.00 H new ATOM 0 HE1 MET A 4 15.254 7.295 -13.416 1.00 1.00 H new ATOM 0 HE2 MET A 4 16.960 7.804 -13.425 1.00 1.00 H new ATOM 0 HE3 MET A 4 16.204 7.253 -11.911 1.00 1.00 H new ATOM 53 N LEU A 5 16.598 10.999 -7.670 1.00 1.00 N ATOM 54 CA LEU A 5 16.701 10.227 -6.423 1.00 1.00 C ATOM 55 C LEU A 5 15.336 10.095 -5.724 1.00 1.00 C ATOM 56 O LEU A 5 14.965 9.005 -5.291 1.00 1.00 O ATOM 57 CB LEU A 5 17.742 10.867 -5.485 1.00 1.00 C ATOM 58 CG LEU A 5 19.176 10.927 -6.047 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.091 11.636 -5.047 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.761 9.540 -6.326 1.00 1.00 C ATOM 0 H LEU A 5 17.107 11.882 -7.649 1.00 1.00 H new ATOM 0 HA LEU A 5 17.032 9.220 -6.676 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.419 11.880 -5.246 1.00 1.00 H new ATOM 0 HB3 LEU A 5 17.758 10.308 -4.549 1.00 1.00 H new ATOM 0 HG LEU A 5 19.120 11.470 -6.990 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.104 11.677 -5.447 1.00 1.00 H new ATOM 0 HD12 LEU A 5 19.727 12.649 -4.876 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.095 11.088 -4.105 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.772 9.644 -6.720 1.00 1.00 H new ATOM 0 HD22 LEU A 5 19.790 8.964 -5.401 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.139 9.023 -7.056 1.00 1.00 H new ATOM 72 N GLU A 6 14.548 11.173 -5.677 1.00 1.00 N ATOM 73 CA GLU A 6 13.162 11.158 -5.185 1.00 1.00 C ATOM 74 C GLU A 6 12.242 10.289 -6.059 1.00 1.00 C ATOM 75 O GLU A 6 11.435 9.522 -5.531 1.00 1.00 O ATOM 76 CB GLU A 6 12.617 12.594 -5.111 1.00 1.00 C ATOM 77 CG GLU A 6 13.250 13.402 -3.970 1.00 1.00 C ATOM 78 CD GLU A 6 12.767 14.858 -3.996 1.00 1.00 C ATOM 79 OE1 GLU A 6 13.353 15.663 -4.759 1.00 1.00 O ATOM 80 OE2 GLU A 6 11.805 15.173 -3.253 1.00 1.00 O ATOM 0 H GLU A 6 14.857 12.096 -5.984 1.00 1.00 H new ATOM 0 HA GLU A 6 13.174 10.716 -4.189 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.804 13.100 -6.058 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.536 12.563 -4.974 1.00 1.00 H new ATOM 0 HG2 GLU A 6 12.996 12.947 -3.013 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.336 13.373 -4.058 1.00 1.00 H new ATOM 87 N SER A 7 12.393 10.343 -7.388 1.00 1.00 N ATOM 88 CA SER A 7 11.668 9.462 -8.319 1.00 1.00 C ATOM 89 C SER A 7 12.031 7.984 -8.121 1.00 1.00 C ATOM 90 O SER A 7 11.150 7.126 -8.145 1.00 1.00 O ATOM 91 CB SER A 7 11.936 9.855 -9.777 1.00 1.00 C ATOM 92 OG SER A 7 11.474 11.170 -10.046 1.00 1.00 O ATOM 0 H SER A 7 13.022 10.999 -7.851 1.00 1.00 H new ATOM 0 HA SER A 7 10.608 9.589 -8.097 1.00 1.00 H new ATOM 0 HB2 SER A 7 13.005 9.793 -9.983 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.441 9.149 -10.444 1.00 1.00 H new ATOM 0 HG SER A 7 12.082 11.820 -9.636 1.00 1.00 H new ATOM 98 N SER A 8 13.308 7.678 -7.871 1.00 1.00 N ATOM 99 CA SER A 8 13.788 6.322 -7.554 1.00 1.00 C ATOM 100 C SER A 8 13.273 5.818 -6.200 1.00 1.00 C ATOM 101 O SER A 8 12.930 4.642 -6.076 1.00 1.00 O ATOM 102 CB SER A 8 15.321 6.272 -7.562 1.00 1.00 C ATOM 103 OG SER A 8 15.840 6.654 -8.826 1.00 1.00 O ATOM 0 H SER A 8 14.053 8.375 -7.883 1.00 1.00 H new ATOM 0 HA SER A 8 13.392 5.667 -8.330 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.713 6.934 -6.790 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.656 5.264 -7.318 1.00 1.00 H new ATOM 0 HG SER A 8 15.724 7.619 -8.949 1.00 1.00 H new ATOM 109 N ALA A 9 13.165 6.689 -5.191 1.00 1.00 N ATOM 110 CA ALA A 9 12.556 6.359 -3.901 1.00 1.00 C ATOM 111 C ALA A 9 11.045 6.080 -4.026 1.00 1.00 C ATOM 112 O ALA A 9 10.545 5.108 -3.460 1.00 1.00 O ATOM 113 CB ALA A 9 12.842 7.500 -2.916 1.00 1.00 C ATOM 0 H ALA A 9 13.501 7.650 -5.249 1.00 1.00 H new ATOM 0 HA ALA A 9 12.998 5.436 -3.526 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.394 7.268 -1.950 1.00 1.00 H new ATOM 0 HB2 ALA A 9 13.919 7.617 -2.798 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.416 8.427 -3.300 1.00 1.00 H new ATOM 119 N GLU A 10 10.317 6.882 -4.810 1.00 1.00 N ATOM 120 CA GLU A 10 8.897 6.652 -5.116 1.00 1.00 C ATOM 121 C GLU A 10 8.678 5.359 -5.923 1.00 1.00 C ATOM 122 O GLU A 10 7.765 4.588 -5.630 1.00 1.00 O ATOM 123 CB GLU A 10 8.341 7.882 -5.855 1.00 1.00 C ATOM 124 CG GLU A 10 6.826 7.805 -6.079 1.00 1.00 C ATOM 125 CD GLU A 10 6.302 9.094 -6.724 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.343 9.188 -7.975 1.00 1.00 O ATOM 127 OE2 GLU A 10 5.859 9.994 -5.969 1.00 1.00 O ATOM 0 H GLU A 10 10.698 7.717 -5.255 1.00 1.00 H new ATOM 0 HA GLU A 10 8.354 6.516 -4.181 1.00 1.00 H new ATOM 0 HB2 GLU A 10 8.574 8.780 -5.283 1.00 1.00 H new ATOM 0 HB3 GLU A 10 8.842 7.979 -6.818 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.592 6.953 -6.717 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.322 7.639 -5.127 1.00 1.00 H new ATOM 134 N GLU A 11 9.546 5.069 -6.894 1.00 1.00 N ATOM 135 CA GLU A 11 9.556 3.803 -7.638 1.00 1.00 C ATOM 136 C GLU A 11 9.860 2.595 -6.733 1.00 1.00 C ATOM 137 O GLU A 11 9.232 1.542 -6.870 1.00 1.00 O ATOM 138 CB GLU A 11 10.568 3.931 -8.791 1.00 1.00 C ATOM 139 CG GLU A 11 10.702 2.665 -9.642 1.00 1.00 C ATOM 140 CD GLU A 11 11.589 2.920 -10.867 1.00 1.00 C ATOM 141 OE1 GLU A 11 12.831 2.817 -10.728 1.00 1.00 O ATOM 142 OE2 GLU A 11 11.028 3.222 -11.949 1.00 1.00 O ATOM 0 H GLU A 11 10.275 5.717 -7.192 1.00 1.00 H new ATOM 0 HA GLU A 11 8.562 3.615 -8.043 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.269 4.759 -9.434 1.00 1.00 H new ATOM 0 HB3 GLU A 11 11.544 4.184 -8.378 1.00 1.00 H new ATOM 0 HG2 GLU A 11 11.127 1.861 -9.041 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.715 2.333 -9.965 1.00 1.00 H new ATOM 149 N SER A 12 10.763 2.750 -5.761 1.00 1.00 N ATOM 150 CA SER A 12 11.041 1.717 -4.754 1.00 1.00 C ATOM 151 C SER A 12 9.842 1.481 -3.833 1.00 1.00 C ATOM 152 O SER A 12 9.533 0.335 -3.508 1.00 1.00 O ATOM 153 CB SER A 12 12.273 2.074 -3.912 1.00 1.00 C ATOM 154 OG SER A 12 13.433 2.180 -4.722 1.00 1.00 O ATOM 0 H SER A 12 11.323 3.595 -5.648 1.00 1.00 H new ATOM 0 HA SER A 12 11.241 0.796 -5.302 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.101 3.017 -3.392 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.428 1.312 -3.148 1.00 1.00 H new ATOM 0 HG SER A 12 13.379 2.994 -5.265 1.00 1.00 H new ATOM 160 N LEU A 13 9.108 2.534 -3.460 1.00 1.00 N ATOM 161 CA LEU A 13 7.864 2.415 -2.693 1.00 1.00 C ATOM 162 C LEU A 13 6.785 1.699 -3.520 1.00 1.00 C ATOM 163 O LEU A 13 6.141 0.785 -3.012 1.00 1.00 O ATOM 164 CB LEU A 13 7.440 3.822 -2.223 1.00 1.00 C ATOM 165 CG LEU A 13 6.259 3.886 -1.231 1.00 1.00 C ATOM 166 CD1 LEU A 13 6.220 5.282 -0.607 1.00 1.00 C ATOM 167 CD2 LEU A 13 4.887 3.648 -1.875 1.00 1.00 C ATOM 0 H LEU A 13 9.361 3.497 -3.682 1.00 1.00 H new ATOM 0 HA LEU A 13 8.015 1.798 -1.807 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.302 4.302 -1.760 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.181 4.412 -3.102 1.00 1.00 H new ATOM 0 HG LEU A 13 6.431 3.091 -0.505 1.00 1.00 H new ATOM 0 HD11 LEU A 13 5.390 5.343 0.097 1.00 1.00 H new ATOM 0 HD12 LEU A 13 7.156 5.472 -0.082 1.00 1.00 H new ATOM 0 HD13 LEU A 13 6.086 6.027 -1.391 1.00 1.00 H new ATOM 0 HD21 LEU A 13 4.111 3.709 -1.112 1.00 1.00 H new ATOM 0 HD22 LEU A 13 4.707 4.406 -2.638 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.867 2.660 -2.334 1.00 1.00 H new ATOM 179 N ALA A 14 6.634 2.034 -4.804 1.00 1.00 N ATOM 180 CA ALA A 14 5.716 1.335 -5.705 1.00 1.00 C ATOM 181 C ALA A 14 6.048 -0.167 -5.824 1.00 1.00 C ATOM 182 O ALA A 14 5.141 -0.999 -5.840 1.00 1.00 O ATOM 183 CB ALA A 14 5.719 2.036 -7.068 1.00 1.00 C ATOM 0 H ALA A 14 7.145 2.797 -5.247 1.00 1.00 H new ATOM 0 HA ALA A 14 4.710 1.381 -5.287 1.00 1.00 H new ATOM 0 HB1 ALA A 14 5.037 1.520 -7.744 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.396 3.070 -6.946 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.726 2.017 -7.485 1.00 1.00 H new ATOM 189 N TYR A 15 7.336 -0.530 -5.824 1.00 1.00 N ATOM 190 CA TYR A 15 7.786 -1.928 -5.784 1.00 1.00 C ATOM 191 C TYR A 15 7.448 -2.624 -4.450 1.00 1.00 C ATOM 192 O TYR A 15 6.948 -3.753 -4.456 1.00 1.00 O ATOM 193 CB TYR A 15 9.289 -1.993 -6.084 1.00 1.00 C ATOM 194 CG TYR A 15 9.817 -3.412 -6.169 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.505 -4.203 -7.291 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.580 -3.951 -5.115 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.952 -5.536 -7.361 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.033 -5.283 -5.184 1.00 1.00 C ATOM 199 CZ TYR A 15 10.719 -6.081 -6.306 1.00 1.00 C ATOM 200 OH TYR A 15 11.157 -7.369 -6.364 1.00 1.00 O ATOM 0 H TYR A 15 8.102 0.143 -5.852 1.00 1.00 H new ATOM 0 HA TYR A 15 7.242 -2.476 -6.553 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.488 -1.480 -7.025 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.832 -1.455 -5.307 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.922 -3.787 -8.099 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.818 -3.343 -4.254 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.709 -6.142 -8.221 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.621 -5.695 -4.377 1.00 1.00 H new ATOM 0 HH TYR A 15 11.670 -7.577 -5.555 1.00 1.00 H new ATOM 210 N ARG A 16 7.639 -1.949 -3.305 1.00 1.00 N ATOM 211 CA ARG A 16 7.191 -2.436 -1.982 1.00 1.00 C ATOM 212 C ARG A 16 5.673 -2.623 -1.915 1.00 1.00 C ATOM 213 O ARG A 16 5.201 -3.594 -1.330 1.00 1.00 O ATOM 214 CB ARG A 16 7.647 -1.486 -0.858 1.00 1.00 C ATOM 215 CG ARG A 16 9.169 -1.474 -0.653 1.00 1.00 C ATOM 216 CD ARG A 16 9.607 -0.447 0.399 1.00 1.00 C ATOM 217 NE ARG A 16 9.114 -0.783 1.748 1.00 1.00 N ATOM 218 CZ ARG A 16 9.243 -0.037 2.834 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.849 1.123 2.826 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.759 -0.448 3.974 1.00 1.00 N ATOM 0 H ARG A 16 8.110 -1.045 -3.267 1.00 1.00 H new ATOM 0 HA ARG A 16 7.656 -3.411 -1.839 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.310 -0.475 -1.087 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.164 -1.779 0.074 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.500 -2.467 -0.348 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.659 -1.252 -1.601 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.695 -0.389 0.416 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.240 0.539 0.116 1.00 1.00 H new ATOM 0 HE ARG A 16 8.628 -1.674 1.854 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.245 1.486 1.959 1.00 1.00 H new ATOM 0 HH12 ARG A 16 9.925 1.665 3.687 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.280 -1.347 4.030 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.860 0.129 4.809 1.00 1.00 H new ATOM 234 N GLU A 17 4.906 -1.729 -2.536 1.00 1.00 N ATOM 235 CA GLU A 17 3.453 -1.858 -2.668 1.00 1.00 C ATOM 236 C GLU A 17 3.059 -3.034 -3.574 1.00 1.00 C ATOM 237 O GLU A 17 2.191 -3.812 -3.200 1.00 1.00 O ATOM 238 CB GLU A 17 2.852 -0.528 -3.154 1.00 1.00 C ATOM 239 CG GLU A 17 1.344 -0.447 -2.893 1.00 1.00 C ATOM 240 CD GLU A 17 0.775 0.893 -3.371 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.370 0.986 -4.555 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.740 1.835 -2.545 1.00 1.00 O ATOM 0 H GLU A 17 5.279 -0.884 -2.968 1.00 1.00 H new ATOM 0 HA GLU A 17 3.038 -2.083 -1.686 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.351 0.300 -2.651 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.041 -0.414 -4.221 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.838 -1.265 -3.406 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.149 -0.570 -1.828 1.00 1.00 H new ATOM 249 N ASP A 18 3.727 -3.240 -4.715 1.00 1.00 N ATOM 250 CA ASP A 18 3.495 -4.400 -5.589 1.00 1.00 C ATOM 251 C ASP A 18 3.803 -5.748 -4.912 1.00 1.00 C ATOM 252 O ASP A 18 3.167 -6.748 -5.240 1.00 1.00 O ATOM 253 CB ASP A 18 4.292 -4.265 -6.898 1.00 1.00 C ATOM 254 CG ASP A 18 3.671 -3.267 -7.883 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.429 -3.311 -8.058 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.441 -2.504 -8.513 1.00 1.00 O ATOM 0 H ASP A 18 4.447 -2.605 -5.061 1.00 1.00 H new ATOM 0 HA ASP A 18 2.428 -4.401 -5.812 1.00 1.00 H new ATOM 0 HB2 ASP A 18 5.310 -3.951 -6.666 1.00 1.00 H new ATOM 0 HB3 ASP A 18 4.361 -5.242 -7.376 1.00 1.00 H new ATOM 273 N LEU A 20 2.791 -6.423 -1.925 1.00 1.00 N ATOM 274 CA LEU A 20 1.511 -6.672 -1.247 1.00 1.00 C ATOM 275 C LEU A 20 0.495 -7.422 -2.133 1.00 1.00 C ATOM 276 O LEU A 20 -0.473 -7.978 -1.615 1.00 1.00 O ATOM 277 CB LEU A 20 0.899 -5.361 -0.713 1.00 1.00 C ATOM 278 CG LEU A 20 1.842 -4.429 0.070 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.052 -3.223 0.582 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.531 -5.108 1.253 1.00 1.00 C ATOM 0 HA LEU A 20 1.737 -7.324 -0.404 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.495 -4.804 -1.559 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.058 -5.616 -0.068 1.00 1.00 H new ATOM 0 HG LEU A 20 2.626 -4.127 -0.624 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.717 -2.561 1.137 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.625 -2.683 -0.263 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.251 -3.565 1.237 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.179 -4.391 1.757 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.778 -5.471 1.953 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.128 -5.947 0.894 1.00 1.00 H new ATOM 292 N ARG A 21 0.720 -7.502 -3.455 1.00 1.00 N ATOM 293 CA ARG A 21 -0.083 -8.307 -4.406 1.00 1.00 C ATOM 294 C ARG A 21 0.001 -9.827 -4.153 1.00 1.00 C ATOM 295 O ARG A 21 -0.760 -10.597 -4.735 1.00 1.00 O ATOM 296 CB ARG A 21 0.337 -7.955 -5.847 1.00 1.00 C ATOM 297 CG ARG A 21 -0.780 -8.183 -6.879 1.00 1.00 C ATOM 298 CD ARG A 21 -0.287 -7.979 -8.316 1.00 1.00 C ATOM 299 NE ARG A 21 0.138 -6.590 -8.581 1.00 1.00 N ATOM 300 CZ ARG A 21 0.115 -5.979 -9.754 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.340 -6.551 -10.837 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.544 -4.755 -9.872 1.00 1.00 N ATOM 0 H ARG A 21 1.482 -6.999 -3.908 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.131 -8.049 -4.250 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.648 -6.911 -5.883 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.204 -8.555 -6.122 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.172 -9.194 -6.771 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.604 -7.498 -6.678 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.548 -8.653 -8.508 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.082 -8.250 -9.010 1.00 1.00 H new ATOM 0 HE ARG A 21 0.481 -6.052 -7.786 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.696 -7.506 -10.798 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.339 -6.043 -11.721 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.902 -4.259 -9.056 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.522 -4.292 -10.781 1.00 1.00 H new ATOM 316 N GLY A 22 0.901 -10.264 -3.268 1.00 1.00 N ATOM 317 CA GLY A 22 0.991 -11.639 -2.765 1.00 1.00 C ATOM 318 C GLY A 22 0.462 -11.808 -1.334 1.00 1.00 C ATOM 319 O GLY A 22 0.823 -12.785 -0.672 1.00 1.00 O ATOM 0 H GLY A 22 1.611 -9.651 -2.868 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.432 -12.297 -3.430 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.032 -11.962 -2.799 1.00 1.00 H new ATOM 323 N ARG A 23 -0.354 -10.864 -0.834 1.00 1.00 N ATOM 324 CA ARG A 23 -0.808 -10.795 0.568 1.00 1.00 C ATOM 325 C ARG A 23 -2.322 -10.605 0.714 1.00 1.00 C ATOM 326 O ARG A 23 -3.018 -10.124 -0.184 1.00 1.00 O ATOM 327 CB ARG A 23 -0.071 -9.669 1.313 1.00 1.00 C ATOM 328 CG ARG A 23 1.459 -9.779 1.251 1.00 1.00 C ATOM 329 CD ARG A 23 2.047 -8.789 2.255 1.00 1.00 C ATOM 330 NE ARG A 23 3.492 -8.585 2.053 1.00 1.00 N ATOM 331 CZ ARG A 23 4.318 -7.993 2.900 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.943 -7.568 4.079 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.566 -7.807 2.573 1.00 1.00 N ATOM 0 H ARG A 23 -0.726 -10.108 -1.408 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.568 -11.762 1.011 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.374 -8.710 0.893 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.384 -9.672 2.357 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.777 -10.794 1.487 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.816 -9.558 0.245 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.531 -7.833 2.165 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.871 -9.153 3.267 1.00 1.00 H new ATOM 0 HE ARG A 23 3.892 -8.932 1.181 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.976 -7.687 4.380 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.618 -7.117 4.697 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.907 -8.118 1.663 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.202 -7.350 3.227 1.00 1.00 H new ATOM 347 N LEU A 24 -2.807 -10.968 1.898 1.00 1.00 N ATOM 348 CA LEU A 24 -4.204 -10.902 2.330 1.00 1.00 C ATOM 349 C LEU A 24 -4.413 -9.649 3.205 1.00 1.00 C ATOM 350 O LEU A 24 -3.501 -9.195 3.902 1.00 1.00 O ATOM 351 CB LEU A 24 -4.482 -12.205 3.116 1.00 1.00 C ATOM 352 CG LEU A 24 -5.948 -12.668 3.156 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.390 -13.246 1.812 1.00 1.00 C ATOM 354 CD2 LEU A 24 -6.107 -13.793 4.180 1.00 1.00 C ATOM 0 H LEU A 24 -2.199 -11.339 2.628 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.893 -10.821 1.489 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.881 -13.004 2.681 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.137 -12.068 4.141 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.550 -11.795 3.409 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.431 -13.563 1.877 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.290 -12.485 1.038 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.765 -14.103 1.561 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -7.147 -14.118 4.205 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.471 -14.633 3.900 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.816 -13.431 5.166 1.00 1.00 H new ATOM 366 N GLY A 25 -5.622 -9.103 3.181 1.00 1.00 N ATOM 367 CA GLY A 25 -5.996 -7.836 3.807 1.00 1.00 C ATOM 368 C GLY A 25 -7.405 -7.810 4.402 1.00 1.00 C ATOM 369 O GLY A 25 -8.112 -8.820 4.466 1.00 1.00 O ATOM 0 H GLY A 25 -6.405 -9.549 2.704 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.279 -7.610 4.596 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.915 -7.042 3.065 1.00 1.00 H new ATOM 373 N LYS A 26 -7.797 -6.614 4.840 1.00 1.00 N ATOM 374 CA LYS A 26 -8.974 -6.285 5.639 1.00 1.00 C ATOM 375 C LYS A 26 -9.536 -4.940 5.180 1.00 1.00 C ATOM 376 O LYS A 26 -8.843 -3.924 5.231 1.00 1.00 O ATOM 377 CB LYS A 26 -8.501 -6.239 7.103 1.00 1.00 C ATOM 378 CG LYS A 26 -9.566 -5.873 8.149 1.00 1.00 C ATOM 379 CD LYS A 26 -10.822 -6.757 8.196 1.00 1.00 C ATOM 380 CE LYS A 26 -10.582 -8.235 8.543 1.00 1.00 C ATOM 381 NZ LYS A 26 -10.084 -9.014 7.392 1.00 1.00 N ATOM 0 H LYS A 26 -7.251 -5.780 4.626 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.773 -7.018 5.528 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.089 -7.215 7.361 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.686 -5.519 7.177 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.098 -5.895 9.133 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.880 -4.845 7.969 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.512 -6.338 8.928 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.317 -6.706 7.226 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.863 -8.301 9.360 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.512 -8.676 8.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.432 -9.992 7.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.425 -8.584 6.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -9.044 -9.015 7.398 1.00 1.00 H new ATOM 395 N VAL A 27 -10.769 -4.944 4.682 1.00 1.00 N ATOM 396 CA VAL A 27 -11.463 -3.730 4.204 1.00 1.00 C ATOM 397 C VAL A 27 -11.927 -2.875 5.390 1.00 1.00 C ATOM 398 O VAL A 27 -12.613 -3.375 6.281 1.00 1.00 O ATOM 399 CB VAL A 27 -12.624 -4.093 3.244 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.427 -2.881 2.771 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.021 -4.770 2.011 1.00 1.00 C ATOM 0 H VAL A 27 -11.328 -5.792 4.594 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.760 -3.128 3.628 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.308 -4.740 3.793 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.223 -3.210 2.103 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.863 -2.375 3.632 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.769 -2.193 2.240 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.818 -5.037 1.316 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.328 -4.085 1.522 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.488 -5.671 2.315 1.00 1.00 H new ATOM 411 N ILE A 28 -11.575 -1.583 5.387 1.00 1.00 N ATOM 412 CA ILE A 28 -11.895 -0.604 6.453 1.00 1.00 C ATOM 413 C ILE A 28 -12.774 0.568 5.970 1.00 1.00 C ATOM 414 O ILE A 28 -13.158 1.434 6.754 1.00 1.00 O ATOM 415 CB ILE A 28 -10.641 -0.117 7.220 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.646 0.713 6.372 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.975 -1.287 7.968 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.560 -0.077 5.641 1.00 1.00 C ATOM 0 H ILE A 28 -11.042 -1.170 4.622 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.503 -1.156 7.169 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.994 0.599 7.962 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.214 1.279 5.633 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.161 1.438 7.025 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.096 -0.925 8.501 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.681 -1.712 8.681 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.676 -2.053 7.253 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -7.925 0.610 5.082 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.955 -0.621 6.366 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.025 -0.783 4.953 1.00 1.00 H new ATOM 430 N THR A 29 -13.118 0.597 4.682 1.00 1.00 N ATOM 431 CA THR A 29 -14.127 1.484 4.073 1.00 1.00 C ATOM 432 C THR A 29 -14.709 0.712 2.892 1.00 1.00 C ATOM 433 O THR A 29 -13.946 0.198 2.077 1.00 1.00 O ATOM 434 CB THR A 29 -13.539 2.825 3.598 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.926 3.515 4.666 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.595 3.764 3.015 1.00 1.00 C ATOM 0 H THR A 29 -12.685 -0.023 3.998 1.00 1.00 H new ATOM 0 HA THR A 29 -14.884 1.745 4.813 1.00 1.00 H new ATOM 0 HB THR A 29 -12.817 2.563 2.825 1.00 1.00 H new ATOM 0 HG1 THR A 29 -13.049 3.009 5.496 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.121 4.693 2.698 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.071 3.288 2.158 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.347 3.982 3.773 1.00 1.00 H new ATOM 444 N ALA A 30 -16.036 0.572 2.826 1.00 1.00 N ATOM 445 CA ALA A 30 -16.723 -0.313 1.886 1.00 1.00 C ATOM 446 C ALA A 30 -16.359 -0.045 0.412 1.00 1.00 C ATOM 447 O ALA A 30 -16.277 1.104 -0.027 1.00 1.00 O ATOM 448 CB ALA A 30 -18.233 -0.197 2.120 1.00 1.00 C ATOM 0 H ALA A 30 -16.674 1.082 3.437 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.389 -1.333 2.078 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.760 -0.852 1.426 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.466 -0.490 3.144 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.548 0.834 1.957 1.00 1.00 H new ATOM 454 N VAL A 31 -16.199 -1.124 -0.356 1.00 1.00 N ATOM 455 CA VAL A 31 -15.769 -1.134 -1.762 1.00 1.00 C ATOM 456 C VAL A 31 -16.885 -1.767 -2.608 1.00 1.00 C ATOM 457 O VAL A 31 -17.007 -2.993 -2.628 1.00 1.00 O ATOM 458 CB VAL A 31 -14.448 -1.918 -1.938 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.937 -1.785 -3.371 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.311 -1.473 -1.012 1.00 1.00 C ATOM 0 H VAL A 31 -16.374 -2.064 0.000 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.585 -0.111 -2.089 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.706 -2.946 -1.682 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.007 -2.342 -3.479 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.681 -2.184 -4.061 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.759 -0.734 -3.598 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.425 -2.078 -1.206 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.081 -0.424 -1.196 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.617 -1.600 0.027 1.00 1.00 H new ATOM 470 N PRO A 32 -17.765 -0.983 -3.256 1.00 1.00 N ATOM 471 CA PRO A 32 -18.854 -1.533 -4.061 1.00 1.00 C ATOM 472 C PRO A 32 -18.380 -2.047 -5.431 1.00 1.00 C ATOM 473 O PRO A 32 -17.222 -1.881 -5.820 1.00 1.00 O ATOM 474 CB PRO A 32 -19.878 -0.400 -4.167 1.00 1.00 C ATOM 475 CG PRO A 32 -18.993 0.834 -4.169 1.00 1.00 C ATOM 476 CD PRO A 32 -17.849 0.469 -3.220 1.00 1.00 C ATOM 0 HA PRO A 32 -19.289 -2.419 -3.598 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.475 -0.474 -5.076 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.574 -0.400 -3.328 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.625 1.060 -5.170 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.534 1.714 -3.822 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.912 0.925 -3.541 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.048 0.826 -2.210 1.00 1.00 H new ATOM 484 N VAL A 33 -19.307 -2.666 -6.172 1.00 1.00 N ATOM 485 CA VAL A 33 -19.054 -3.423 -7.417 1.00 1.00 C ATOM 486 C VAL A 33 -18.315 -2.653 -8.521 1.00 1.00 C ATOM 487 O VAL A 33 -17.642 -3.260 -9.350 1.00 1.00 O ATOM 488 CB VAL A 33 -20.368 -4.004 -7.991 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.162 -4.798 -6.946 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.317 -2.939 -8.561 1.00 1.00 C ATOM 0 H VAL A 33 -20.294 -2.657 -5.916 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.379 -4.221 -7.107 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.030 -4.656 -8.797 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.075 -5.184 -7.399 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.557 -5.629 -6.584 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.419 -4.146 -6.112 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.216 -3.421 -8.945 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.590 -2.236 -7.774 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.819 -2.403 -9.369 1.00 1.00 H new ATOM 500 N ASP A 34 -18.431 -1.324 -8.528 1.00 1.00 N ATOM 501 CA ASP A 34 -17.871 -0.408 -9.532 1.00 1.00 C ATOM 502 C ASP A 34 -17.319 0.889 -8.895 1.00 1.00 C ATOM 503 O ASP A 34 -17.268 1.937 -9.544 1.00 1.00 O ATOM 504 CB ASP A 34 -18.936 -0.126 -10.613 1.00 1.00 C ATOM 505 CG ASP A 34 -20.066 0.817 -10.163 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.531 0.694 -9.003 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.489 1.657 -10.994 1.00 1.00 O ATOM 0 H ASP A 34 -18.943 -0.829 -7.798 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.014 -0.886 -10.006 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.445 0.306 -11.485 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.374 -1.073 -10.930 1.00 1.00 H new ATOM 512 N GLY A 35 -16.949 0.831 -7.608 1.00 1.00 N ATOM 513 CA GLY A 35 -16.565 1.993 -6.794 1.00 1.00 C ATOM 514 C GLY A 35 -15.310 1.781 -5.943 1.00 1.00 C ATOM 515 O GLY A 35 -14.548 0.832 -6.151 1.00 1.00 O ATOM 0 H GLY A 35 -16.907 -0.047 -7.091 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.403 2.846 -7.453 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.395 2.252 -6.137 1.00 1.00 H new ATOM 519 N PHE A 36 -15.107 2.675 -4.969 1.00 1.00 N ATOM 520 CA PHE A 36 -13.874 2.789 -4.183 1.00 1.00 C ATOM 521 C PHE A 36 -14.145 2.792 -2.669 1.00 1.00 C ATOM 522 O PHE A 36 -15.135 3.357 -2.196 1.00 1.00 O ATOM 523 CB PHE A 36 -13.111 4.078 -4.544 1.00 1.00 C ATOM 524 CG PHE A 36 -12.808 4.318 -6.015 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.808 4.808 -6.878 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.506 4.105 -6.512 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.523 5.040 -8.234 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.219 4.347 -7.868 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.229 4.806 -8.732 1.00 1.00 C ATOM 0 H PHE A 36 -15.815 3.358 -4.699 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.274 1.913 -4.429 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.688 4.926 -4.175 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.166 4.075 -4.001 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.798 5.006 -6.495 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.727 3.755 -5.850 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.299 5.398 -8.895 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.221 4.180 -8.246 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.011 4.978 -9.776 1.00 1.00 H new ATOM 539 N GLY A 37 -13.218 2.198 -1.920 1.00 1.00 N ATOM 540 CA GLY A 37 -13.145 2.186 -0.456 1.00 1.00 C ATOM 541 C GLY A 37 -11.689 2.066 0.005 1.00 1.00 C ATOM 542 O GLY A 37 -10.803 2.652 -0.618 1.00 1.00 O ATOM 0 H GLY A 37 -12.449 1.679 -2.344 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.586 3.099 -0.056 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.727 1.353 -0.063 1.00 1.00 H new ATOM 546 N GLU A 38 -11.419 1.324 1.080 1.00 1.00 N ATOM 547 CA GLU A 38 -10.081 1.217 1.694 1.00 1.00 C ATOM 548 C GLU A 38 -9.772 -0.188 2.222 1.00 1.00 C ATOM 549 O GLU A 38 -10.654 -0.878 2.732 1.00 1.00 O ATOM 550 CB GLU A 38 -9.945 2.187 2.880 1.00 1.00 C ATOM 551 CG GLU A 38 -9.871 3.665 2.486 1.00 1.00 C ATOM 552 CD GLU A 38 -9.757 4.601 3.701 1.00 1.00 C ATOM 553 OE1 GLU A 38 -9.051 4.244 4.675 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.345 5.708 3.641 1.00 1.00 O ATOM 0 H GLU A 38 -12.128 0.770 1.560 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.379 1.461 0.897 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.794 2.044 3.549 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.048 1.929 3.443 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.012 3.819 1.832 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.760 3.928 1.912 1.00 1.00 H new ATOM 561 N VAL A 39 -8.491 -0.566 2.192 1.00 1.00 N ATOM 562 CA VAL A 39 -7.951 -1.849 2.673 1.00 1.00 C ATOM 563 C VAL A 39 -6.630 -1.653 3.433 1.00 1.00 C ATOM 564 O VAL A 39 -5.881 -0.710 3.177 1.00 1.00 O ATOM 565 CB VAL A 39 -7.793 -2.822 1.483 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.596 -2.486 0.584 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.696 -4.281 1.930 1.00 1.00 C ATOM 0 H VAL A 39 -7.764 0.041 1.814 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.654 -2.285 3.384 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.703 -2.692 0.898 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.541 -3.206 -0.232 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.718 -1.483 0.175 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.678 -2.530 1.169 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.586 -4.923 1.056 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.831 -4.405 2.582 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.601 -4.557 2.471 1.00 1.00 H new ATOM 577 N VAL A 40 -6.329 -2.566 4.354 1.00 1.00 N ATOM 578 CA VAL A 40 -5.041 -2.717 5.059 1.00 1.00 C ATOM 579 C VAL A 40 -4.644 -4.195 5.049 1.00 1.00 C ATOM 580 O VAL A 40 -5.512 -5.065 5.076 1.00 1.00 O ATOM 581 CB VAL A 40 -5.105 -2.146 6.495 1.00 1.00 C ATOM 582 CG1 VAL A 40 -6.158 -2.822 7.382 1.00 1.00 C ATOM 583 CG2 VAL A 40 -3.749 -2.154 7.199 1.00 1.00 C ATOM 0 H VAL A 40 -7.011 -3.264 4.651 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.276 -2.139 4.540 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.413 -1.110 6.354 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.144 -2.369 8.373 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -7.145 -2.693 6.938 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.934 -3.885 7.466 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -3.857 -1.742 8.202 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -3.379 -3.177 7.265 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -3.041 -1.549 6.633 1.00 1.00 H new ATOM 593 N ILE A 41 -3.351 -4.505 4.969 1.00 1.00 N ATOM 594 CA ILE A 41 -2.845 -5.892 5.041 1.00 1.00 C ATOM 595 C ILE A 41 -2.985 -6.430 6.478 1.00 1.00 C ATOM 596 O ILE A 41 -3.039 -5.655 7.429 1.00 1.00 O ATOM 597 CB ILE A 41 -1.393 -5.921 4.510 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.339 -5.533 3.014 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.653 -7.254 4.718 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.193 -6.375 2.056 1.00 1.00 C ATOM 0 H ILE A 41 -2.617 -3.807 4.852 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.435 -6.557 4.411 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.869 -5.182 5.116 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.648 -4.492 2.920 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.301 -5.589 2.684 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.356 -7.177 4.314 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.601 -7.479 5.783 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.190 -8.052 4.205 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.070 -6.005 1.038 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.875 -7.416 2.105 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.242 -6.302 2.344 1.00 1.00 H new ATOM 612 N GLU A 42 -3.067 -7.755 6.659 1.00 1.00 N ATOM 613 CA GLU A 42 -3.374 -8.390 7.962 1.00 1.00 C ATOM 614 C GLU A 42 -2.472 -7.972 9.147 1.00 1.00 C ATOM 615 O GLU A 42 -2.892 -8.066 10.302 1.00 1.00 O ATOM 616 CB GLU A 42 -3.364 -9.922 7.839 1.00 1.00 C ATOM 617 CG GLU A 42 -4.604 -10.473 7.125 1.00 1.00 C ATOM 618 CD GLU A 42 -4.671 -11.998 7.262 1.00 1.00 C ATOM 619 OE1 GLU A 42 -3.745 -12.678 6.761 1.00 1.00 O ATOM 620 OE2 GLU A 42 -5.649 -12.493 7.874 1.00 1.00 O ATOM 0 H GLU A 42 -2.922 -8.427 5.905 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.370 -8.018 8.204 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.471 -10.232 7.296 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.300 -10.361 8.835 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.503 -10.024 7.547 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.576 -10.198 6.071 1.00 1.00 H new ATOM 681 N ILE A 48 0.286 0.180 6.538 1.00 1.00 N ATOM 682 CA ILE A 48 -0.353 1.444 6.137 1.00 1.00 C ATOM 683 C ILE A 48 -1.535 1.109 5.218 1.00 1.00 C ATOM 684 O ILE A 48 -1.371 0.410 4.215 1.00 1.00 O ATOM 685 CB ILE A 48 0.682 2.375 5.449 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.832 2.738 6.421 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.002 3.651 4.918 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.954 3.586 5.806 1.00 1.00 C ATOM 0 HA ILE A 48 -0.726 1.984 7.007 1.00 1.00 H new ATOM 0 HB ILE A 48 1.108 1.835 4.603 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.413 3.277 7.271 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.264 1.816 6.810 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.746 4.288 4.440 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.764 3.380 4.191 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.458 4.190 5.746 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.713 3.789 6.562 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.406 3.044 4.975 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.541 4.528 5.444 1.00 1.00 H new ATOM 700 N SER A 49 -2.732 1.587 5.570 1.00 1.00 N ATOM 701 CA SER A 49 -3.948 1.436 4.759 1.00 1.00 C ATOM 702 C SER A 49 -3.871 2.218 3.438 1.00 1.00 C ATOM 703 O SER A 49 -3.190 3.244 3.335 1.00 1.00 O ATOM 704 CB SER A 49 -5.181 1.881 5.560 1.00 1.00 C ATOM 705 OG SER A 49 -5.005 3.181 6.103 1.00 1.00 O ATOM 0 H SER A 49 -2.888 2.098 6.439 1.00 1.00 H new ATOM 0 HA SER A 49 -4.036 0.379 4.508 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.059 1.871 4.914 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.369 1.171 6.365 1.00 1.00 H new ATOM 0 HG SER A 49 -5.807 3.437 6.605 1.00 1.00 H new ATOM 711 N LYS A 50 -4.591 1.741 2.418 1.00 1.00 N ATOM 712 CA LYS A 50 -4.601 2.271 1.044 1.00 1.00 C ATOM 713 C LYS A 50 -6.026 2.279 0.481 1.00 1.00 C ATOM 714 O LYS A 50 -6.887 1.538 0.959 1.00 1.00 O ATOM 715 CB LYS A 50 -3.698 1.398 0.145 1.00 1.00 C ATOM 716 CG LYS A 50 -2.231 1.247 0.590 1.00 1.00 C ATOM 717 CD LYS A 50 -1.421 2.550 0.491 1.00 1.00 C ATOM 718 CE LYS A 50 -0.048 2.414 1.162 1.00 1.00 C ATOM 719 NZ LYS A 50 0.814 1.432 0.470 1.00 1.00 N ATOM 0 H LYS A 50 -5.212 0.939 2.529 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.225 3.294 1.062 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.140 0.404 0.080 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.709 1.818 -0.861 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.207 0.892 1.620 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.751 0.483 -0.022 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.289 2.818 -0.557 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.977 3.361 0.960 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.447 3.385 1.174 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.181 2.111 2.201 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.792 1.528 0.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.471 0.470 0.667 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.786 1.607 -0.555 1.00 1.00 H new ATOM 733 N SER A 51 -6.272 3.085 -0.550 1.00 1.00 N ATOM 734 CA SER A 51 -7.524 3.036 -1.318 1.00 1.00 C ATOM 735 C SER A 51 -7.667 1.692 -2.038 1.00 1.00 C ATOM 736 O SER A 51 -6.669 1.058 -2.397 1.00 1.00 O ATOM 737 CB SER A 51 -7.586 4.182 -2.334 1.00 1.00 C ATOM 738 OG SER A 51 -7.516 5.434 -1.668 1.00 1.00 O ATOM 0 H SER A 51 -5.613 3.791 -0.880 1.00 1.00 H new ATOM 0 HA SER A 51 -8.350 3.147 -0.616 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.763 4.093 -3.044 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.510 4.119 -2.908 1.00 1.00 H new ATOM 0 HG SER A 51 -7.555 6.158 -2.327 1.00 1.00 H new ATOM 744 N ALA A 52 -8.906 1.258 -2.263 1.00 1.00 N ATOM 745 CA ALA A 52 -9.214 -0.063 -2.814 1.00 1.00 C ATOM 746 C ALA A 52 -10.411 -0.052 -3.781 1.00 1.00 C ATOM 747 O ALA A 52 -11.371 0.690 -3.570 1.00 1.00 O ATOM 748 CB ALA A 52 -9.460 -1.026 -1.645 1.00 1.00 C ATOM 0 H ALA A 52 -9.735 1.819 -2.066 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.363 -0.393 -3.410 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.692 -2.018 -2.033 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.566 -1.079 -1.023 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.297 -0.666 -1.047 1.00 1.00 H new ATOM 754 N VAL A 53 -10.372 -0.919 -4.801 1.00 1.00 N ATOM 755 CA VAL A 53 -11.455 -1.183 -5.773 1.00 1.00 C ATOM 756 C VAL A 53 -11.740 -2.686 -5.897 1.00 1.00 C ATOM 757 O VAL A 53 -10.860 -3.513 -5.652 1.00 1.00 O ATOM 758 CB VAL A 53 -11.154 -0.594 -7.169 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.009 0.927 -7.107 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.907 -1.176 -7.846 1.00 1.00 C ATOM 0 H VAL A 53 -9.545 -1.487 -4.985 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.341 -0.682 -5.382 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.014 -0.876 -7.776 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.798 1.313 -8.104 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -11.935 1.366 -6.737 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.191 1.187 -6.436 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.770 -0.707 -8.821 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.032 -0.984 -7.225 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.031 -2.251 -7.975 1.00 1.00 H new ATOM 770 N SER A 54 -12.964 -3.059 -6.288 1.00 1.00 N ATOM 771 CA SER A 54 -13.357 -4.461 -6.472 1.00 1.00 C ATOM 772 C SER A 54 -12.858 -5.011 -7.812 1.00 1.00 C ATOM 773 O SER A 54 -13.346 -4.623 -8.878 1.00 1.00 O ATOM 774 CB SER A 54 -14.873 -4.602 -6.368 1.00 1.00 C ATOM 775 OG SER A 54 -15.207 -5.975 -6.379 1.00 1.00 O ATOM 0 H SER A 54 -13.712 -2.395 -6.486 1.00 1.00 H new ATOM 0 HA SER A 54 -12.892 -5.047 -5.680 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.233 -4.134 -5.452 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.357 -4.090 -7.199 1.00 1.00 H new ATOM 0 HG SER A 54 -15.902 -6.148 -5.710 1.00 1.00 H new ATOM 781 N PHE A 55 -11.883 -5.921 -7.770 1.00 1.00 N ATOM 782 CA PHE A 55 -11.373 -6.622 -8.954 1.00 1.00 C ATOM 783 C PHE A 55 -12.407 -7.587 -9.562 1.00 1.00 C ATOM 784 O PHE A 55 -12.449 -7.785 -10.777 1.00 1.00 O ATOM 785 CB PHE A 55 -10.110 -7.392 -8.557 1.00 1.00 C ATOM 786 CG PHE A 55 -9.372 -8.035 -9.719 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.464 -7.280 -10.488 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.573 -9.397 -10.020 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.756 -7.884 -11.541 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.864 -10.000 -11.074 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.953 -9.244 -11.834 1.00 1.00 C ATOM 0 H PHE A 55 -11.419 -6.196 -6.904 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.151 -5.878 -9.720 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.431 -6.711 -8.044 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.383 -8.168 -7.842 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.312 -6.234 -10.267 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.273 -9.979 -9.440 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.059 -7.302 -12.126 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.019 -11.045 -11.300 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.406 -9.708 -12.641 1.00 1.00 H new ATOM 801 N ASP A 56 -13.258 -8.176 -8.716 1.00 1.00 N ATOM 802 CA ASP A 56 -14.212 -9.229 -9.087 1.00 1.00 C ATOM 803 C ASP A 56 -15.615 -8.692 -9.446 1.00 1.00 C ATOM 804 O ASP A 56 -16.526 -9.477 -9.711 1.00 1.00 O ATOM 805 CB ASP A 56 -14.261 -10.245 -7.933 1.00 1.00 C ATOM 806 CG ASP A 56 -14.969 -11.555 -8.305 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.551 -12.184 -9.307 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.903 -11.951 -7.569 1.00 1.00 O ATOM 0 H ASP A 56 -13.305 -7.928 -7.728 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.867 -9.709 -10.002 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.244 -10.469 -7.612 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.771 -9.793 -7.082 1.00 1.00 H new ATOM 813 N ASN A 57 -15.797 -7.364 -9.469 1.00 1.00 N ATOM 814 CA ASN A 57 -17.081 -6.682 -9.682 1.00 1.00 C ATOM 815 C ASN A 57 -18.157 -7.144 -8.668 1.00 1.00 C ATOM 816 O ASN A 57 -19.285 -7.494 -9.027 1.00 1.00 O ATOM 817 CB ASN A 57 -17.461 -6.788 -11.178 1.00 1.00 C ATOM 818 CG ASN A 57 -18.455 -5.735 -11.650 1.00 1.00 C ATOM 819 OD1 ASN A 57 -18.125 -4.821 -12.394 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.707 -5.843 -11.273 1.00 1.00 N ATOM 0 H ASN A 57 -15.025 -6.711 -9.335 1.00 1.00 H new ATOM 0 HA ASN A 57 -16.996 -5.617 -9.467 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -16.554 -6.709 -11.777 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -17.881 -7.776 -11.365 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.398 -5.168 -11.600 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -19.989 -6.602 -10.653 1.00 1.00 H new ATOM 827 N GLN A 58 -17.782 -7.180 -7.385 1.00 1.00 N ATOM 828 CA GLN A 58 -18.610 -7.617 -6.244 1.00 1.00 C ATOM 829 C GLN A 58 -18.466 -6.655 -5.052 1.00 1.00 C ATOM 830 O GLN A 58 -17.436 -6.002 -4.895 1.00 1.00 O ATOM 831 CB GLN A 58 -18.219 -9.046 -5.820 1.00 1.00 C ATOM 832 CG GLN A 58 -18.648 -10.141 -6.810 1.00 1.00 C ATOM 833 CD GLN A 58 -20.164 -10.301 -6.917 1.00 1.00 C ATOM 834 OE1 GLN A 58 -20.795 -11.032 -6.164 1.00 1.00 O ATOM 835 NE2 GLN A 58 -20.813 -9.628 -7.845 1.00 1.00 N ATOM 0 H GLN A 58 -16.848 -6.892 -7.094 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.653 -7.610 -6.562 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -17.137 -9.091 -5.693 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.663 -9.258 -4.847 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.244 -9.908 -7.795 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -18.210 -11.091 -6.502 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -20.303 -9.015 -8.481 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -21.825 -9.720 -7.928 1.00 1.00 H new ATOM 844 N GLN A 59 -19.502 -6.545 -4.218 1.00 1.00 N ATOM 845 CA GLN A 59 -19.532 -5.603 -3.093 1.00 1.00 C ATOM 846 C GLN A 59 -18.720 -6.156 -1.905 1.00 1.00 C ATOM 847 O GLN A 59 -18.831 -7.338 -1.565 1.00 1.00 O ATOM 848 CB GLN A 59 -20.999 -5.331 -2.705 1.00 1.00 C ATOM 849 CG GLN A 59 -21.209 -3.943 -2.070 1.00 1.00 C ATOM 850 CD GLN A 59 -22.585 -3.787 -1.415 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.580 -4.383 -1.807 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.701 -2.975 -0.384 1.00 1.00 N ATOM 0 H GLN A 59 -20.348 -7.108 -4.303 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.069 -4.660 -3.386 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.625 -5.416 -3.593 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.332 -6.098 -2.006 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.435 -3.771 -1.322 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.088 -3.177 -2.836 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.886 -2.468 -0.040 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.606 -2.853 0.070 1.00 1.00 H new ATOM 861 N ILE A 60 -17.923 -5.301 -1.258 1.00 1.00 N ATOM 862 CA ILE A 60 -16.976 -5.668 -0.194 1.00 1.00 C ATOM 863 C ILE A 60 -17.166 -4.718 0.993 1.00 1.00 C ATOM 864 O ILE A 60 -16.664 -3.594 1.004 1.00 1.00 O ATOM 865 CB ILE A 60 -15.506 -5.704 -0.693 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.341 -6.123 -2.176 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.746 -6.661 0.227 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.898 -6.131 -2.696 1.00 1.00 C ATOM 0 H ILE A 60 -17.917 -4.302 -1.465 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.191 -6.686 0.131 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.107 -4.690 -0.653 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.762 -7.120 -2.304 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.930 -5.447 -2.796 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.704 -6.718 -0.088 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.796 -6.296 1.253 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.196 -7.652 0.172 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.890 -6.437 -3.742 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.474 -5.131 -2.608 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.303 -6.830 -2.108 1.00 1.00 H new ATOM 880 N SER A 61 -17.973 -5.141 1.963 1.00 1.00 N ATOM 881 CA SER A 61 -18.293 -4.376 3.174 1.00 1.00 C ATOM 882 C SER A 61 -17.118 -4.274 4.162 1.00 1.00 C ATOM 883 O SER A 61 -16.118 -4.994 4.069 1.00 1.00 O ATOM 884 CB SER A 61 -19.519 -5.005 3.857 1.00 1.00 C ATOM 885 OG SER A 61 -19.308 -6.385 4.118 1.00 1.00 O ATOM 0 H SER A 61 -18.437 -6.049 1.931 1.00 1.00 H new ATOM 0 HA SER A 61 -18.511 -3.354 2.865 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.726 -4.483 4.791 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.396 -4.882 3.222 1.00 1.00 H new ATOM 0 HG SER A 61 -20.101 -6.761 4.554 1.00 1.00 H new ATOM 891 N TYR A 62 -17.252 -3.367 5.137 1.00 1.00 N ATOM 892 CA TYR A 62 -16.323 -3.210 6.260 1.00 1.00 C ATOM 893 C TYR A 62 -16.101 -4.532 7.021 1.00 1.00 C ATOM 894 O TYR A 62 -17.054 -5.252 7.331 1.00 1.00 O ATOM 895 CB TYR A 62 -16.888 -2.136 7.205 1.00 1.00 C ATOM 896 CG TYR A 62 -16.008 -1.812 8.401 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.059 -2.606 9.564 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.141 -0.705 8.349 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.223 -2.311 10.659 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.305 -0.403 9.442 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.340 -1.212 10.600 1.00 1.00 C ATOM 902 OH TYR A 62 -13.538 -0.932 11.665 1.00 1.00 O ATOM 0 H TYR A 62 -18.029 -2.706 5.167 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.350 -2.908 5.872 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.053 -1.222 6.635 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.862 -2.467 7.567 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -16.740 -3.442 9.616 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -15.116 -0.083 7.466 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.258 -2.927 11.545 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.638 0.445 9.395 1.00 1.00 H new ATOM 0 HH TYR A 62 -12.989 -0.145 11.464 1.00 1.00 H new ATOM 912 N GLY A 63 -14.845 -4.829 7.363 1.00 1.00 N ATOM 913 CA GLY A 63 -14.481 -5.921 8.270 1.00 1.00 C ATOM 914 C GLY A 63 -14.251 -7.297 7.631 1.00 1.00 C ATOM 915 O GLY A 63 -14.007 -8.250 8.373 1.00 1.00 O ATOM 0 H GLY A 63 -14.040 -4.310 7.012 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.572 -5.635 8.800 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.268 -6.020 9.017 1.00 1.00 H new ATOM 919 N THR A 64 -14.307 -7.439 6.299 1.00 1.00 N ATOM 920 CA THR A 64 -14.133 -8.742 5.627 1.00 1.00 C ATOM 921 C THR A 64 -12.698 -8.970 5.148 1.00 1.00 C ATOM 922 O THR A 64 -11.913 -8.030 4.991 1.00 1.00 O ATOM 923 CB THR A 64 -15.147 -8.930 4.489 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.284 -10.309 4.223 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.766 -8.240 3.185 1.00 1.00 C ATOM 0 H THR A 64 -14.473 -6.663 5.658 1.00 1.00 H new ATOM 0 HA THR A 64 -14.333 -9.507 6.377 1.00 1.00 H new ATOM 0 HB THR A 64 -16.074 -8.472 4.835 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.931 -10.440 3.499 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.537 -8.425 2.437 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.674 -7.167 3.354 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.814 -8.634 2.830 1.00 1.00 H new ATOM 933 N THR A 65 -12.357 -10.236 4.914 1.00 1.00 N ATOM 934 CA THR A 65 -11.014 -10.699 4.534 1.00 1.00 C ATOM 935 C THR A 65 -10.893 -10.810 3.015 1.00 1.00 C ATOM 936 O THR A 65 -11.679 -11.497 2.356 1.00 1.00 O ATOM 937 CB THR A 65 -10.683 -12.036 5.211 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.853 -11.916 6.608 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.233 -12.454 4.979 1.00 1.00 C ATOM 0 H THR A 65 -13.030 -10.999 4.985 1.00 1.00 H new ATOM 0 HA THR A 65 -10.289 -9.962 4.879 1.00 1.00 H new ATOM 0 HB THR A 65 -11.352 -12.780 4.779 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.643 -12.771 7.038 1.00 1.00 H new ATOM 0 HG21 THR A 65 -9.045 -13.405 5.476 1.00 1.00 H new ATOM 0 HG22 THR A 65 -9.052 -12.561 3.910 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.566 -11.694 5.385 1.00 1.00 H new ATOM 947 N VAL A 66 -9.878 -10.150 2.458 1.00 1.00 N ATOM 948 CA VAL A 66 -9.696 -9.932 1.014 1.00 1.00 C ATOM 949 C VAL A 66 -8.288 -10.278 0.541 1.00 1.00 C ATOM 950 O VAL A 66 -7.323 -10.074 1.265 1.00 1.00 O ATOM 951 CB VAL A 66 -10.000 -8.468 0.631 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.482 -8.128 0.765 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.232 -7.429 1.463 1.00 1.00 C ATOM 0 H VAL A 66 -9.131 -9.736 3.015 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.400 -10.602 0.520 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.675 -8.409 -0.408 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.643 -7.087 0.484 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.065 -8.775 0.109 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.798 -8.278 1.797 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.502 -6.426 1.132 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.489 -7.544 2.516 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.160 -7.578 1.332 1.00 1.00 H new ATOM 963 N LEU A 67 -8.152 -10.793 -0.678 1.00 1.00 N ATOM 964 CA LEU A 67 -6.858 -10.965 -1.343 1.00 1.00 C ATOM 965 C LEU A 67 -6.616 -9.757 -2.256 1.00 1.00 C ATOM 966 O LEU A 67 -7.472 -9.428 -3.084 1.00 1.00 O ATOM 967 CB LEU A 67 -6.889 -12.288 -2.137 1.00 1.00 C ATOM 968 CG LEU A 67 -5.598 -12.619 -2.912 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.416 -12.894 -1.983 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.822 -13.865 -3.769 1.00 1.00 C ATOM 0 H LEU A 67 -8.943 -11.107 -1.240 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.041 -11.018 -0.624 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.097 -13.104 -1.445 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.718 -12.250 -2.843 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.363 -11.749 -3.525 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.531 -13.122 -2.578 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.224 -12.014 -1.369 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.649 -13.742 -1.339 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.909 -14.099 -4.317 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.085 -14.706 -3.127 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.632 -13.680 -4.475 1.00 1.00 H new ATOM 982 N VAL A 68 -5.468 -9.089 -2.114 1.00 1.00 N ATOM 983 CA VAL A 68 -5.045 -8.064 -3.085 1.00 1.00 C ATOM 984 C VAL A 68 -4.559 -8.784 -4.346 1.00 1.00 C ATOM 985 O VAL A 68 -3.661 -9.621 -4.271 1.00 1.00 O ATOM 986 CB VAL A 68 -3.945 -7.132 -2.536 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.756 -5.944 -3.485 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.286 -6.581 -1.143 1.00 1.00 C ATOM 0 H VAL A 68 -4.816 -9.235 -1.343 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.897 -7.420 -3.304 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.035 -7.726 -2.459 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.979 -5.287 -3.095 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.463 -6.308 -4.470 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.692 -5.391 -3.566 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.480 -5.931 -0.802 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.214 -6.012 -1.194 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.406 -7.408 -0.444 1.00 1.00 H new ATOM 998 N VAL A 69 -5.157 -8.478 -5.500 1.00 1.00 N ATOM 999 CA VAL A 69 -4.965 -9.224 -6.763 1.00 1.00 C ATOM 1000 C VAL A 69 -4.367 -8.385 -7.902 1.00 1.00 C ATOM 1001 O VAL A 69 -3.760 -8.942 -8.817 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.266 -9.916 -7.213 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.530 -11.169 -6.372 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.498 -9.011 -7.119 1.00 1.00 C ATOM 0 H VAL A 69 -5.801 -7.692 -5.593 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.222 -9.988 -6.534 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.112 -10.174 -8.261 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.453 -11.643 -6.705 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.701 -11.867 -6.489 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.624 -10.890 -5.323 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.379 -9.560 -7.451 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.637 -8.692 -6.086 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.356 -8.136 -7.753 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.461 -7.056 -7.835 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.751 -6.113 -8.715 1.00 1.00 C ATOM 1016 C ASP A 70 -3.501 -4.808 -7.939 1.00 1.00 C ATOM 1017 O ASP A 70 -4.139 -4.575 -6.914 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.536 -5.859 -10.015 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.611 -5.645 -11.217 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.877 -4.629 -11.212 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.633 -6.494 -12.139 1.00 1.00 O ATOM 0 H ASP A 70 -5.050 -6.587 -7.147 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.794 -6.543 -9.012 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.194 -6.705 -10.211 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.172 -4.983 -9.888 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.562 -3.966 -8.371 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.083 -2.799 -7.606 1.00 1.00 C ATOM 1028 C ILE A 71 -1.670 -1.672 -8.564 1.00 1.00 C ATOM 1029 O ILE A 71 -0.986 -1.906 -9.562 1.00 1.00 O ATOM 1030 CB ILE A 71 -0.918 -3.217 -6.667 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.408 -4.261 -5.634 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.304 -2.009 -5.945 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.487 -4.564 -4.453 1.00 1.00 C ATOM 0 H ILE A 71 -2.102 -4.071 -9.275 1.00 1.00 H new ATOM 0 HA ILE A 71 -2.891 -2.419 -6.980 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.141 -3.662 -7.289 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.364 -3.920 -5.237 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.597 -5.195 -6.162 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.507 -2.345 -5.299 1.00 1.00 H new ATOM 0 HG22 ILE A 71 0.086 -1.305 -6.680 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.068 -1.518 -5.343 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.953 -5.311 -3.810 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.464 -4.946 -4.822 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.314 -3.651 -3.883 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.086 -0.440 -8.252 1.00 1.00 N ATOM 1046 CA ASN A 72 -1.863 0.750 -9.075 1.00 1.00 C ATOM 1047 C ASN A 72 -1.830 2.022 -8.200 1.00 1.00 C ATOM 1048 O ASN A 72 -2.854 2.399 -7.644 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.007 0.791 -10.110 1.00 1.00 C ATOM 1050 CG ASN A 72 -2.995 2.040 -10.975 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.884 2.877 -10.915 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -1.991 2.205 -11.808 1.00 1.00 N ATOM 0 H ASN A 72 -2.602 -0.239 -7.395 1.00 1.00 H new ATOM 0 HA ASN A 72 -0.899 0.709 -9.581 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -2.937 -0.087 -10.752 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -3.962 0.729 -9.588 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -1.954 3.032 -12.404 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.249 1.506 -11.858 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.673 2.686 -8.074 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.472 3.981 -7.387 1.00 1.00 C ATOM 1061 C ASN A 73 -1.341 4.256 -6.127 1.00 1.00 C ATOM 1062 O ASN A 73 -2.072 5.249 -6.063 1.00 1.00 O ATOM 1063 CB ASN A 73 -0.493 5.129 -8.425 1.00 1.00 C ATOM 1064 CG ASN A 73 -1.720 5.206 -9.325 1.00 1.00 C ATOM 1065 OD1 ASN A 73 -1.623 5.101 -10.540 1.00 1.00 O ATOM 1066 ND2 ASN A 73 -2.892 5.426 -8.779 1.00 1.00 N ATOM 0 H ASN A 73 0.195 2.321 -8.466 1.00 1.00 H new ATOM 0 HA ASN A 73 0.517 3.920 -6.933 1.00 1.00 H new ATOM 0 HB2 ASN A 73 -0.401 6.075 -7.891 1.00 1.00 H new ATOM 0 HB3 ASN A 73 0.389 5.034 -9.058 1.00 1.00 H new ATOM 0 HD21 ASN A 73 -3.721 5.509 -9.367 1.00 1.00 H new ATOM 0 HD22 ASN A 73 -2.974 5.514 -7.766 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.294 3.372 -5.124 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.039 3.529 -3.860 1.00 1.00 C ATOM 1075 C GLY A 74 -3.535 3.188 -3.941 1.00 1.00 C ATOM 1076 O GLY A 74 -4.269 3.408 -2.978 1.00 1.00 O ATOM 0 H GLY A 74 -0.735 2.520 -5.162 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.578 2.895 -3.103 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -1.935 4.559 -3.520 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.974 2.634 -5.073 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.338 2.199 -5.399 1.00 1.00 C ATOM 1082 C VAL A 75 -5.273 0.708 -5.742 1.00 1.00 C ATOM 1083 O VAL A 75 -5.092 0.294 -6.889 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.954 3.044 -6.536 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.409 2.623 -6.796 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.959 4.542 -6.196 1.00 1.00 C ATOM 0 H VAL A 75 -3.335 2.463 -5.849 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.000 2.350 -4.546 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.337 2.871 -7.418 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.825 3.230 -7.600 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.438 1.572 -7.082 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.997 2.768 -5.890 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.400 5.101 -7.021 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.544 4.708 -5.292 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.936 4.882 -6.034 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.308 -0.110 -4.693 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.238 -1.569 -4.765 1.00 1.00 C ATOM 1098 C LEU A 76 -6.526 -2.134 -5.390 1.00 1.00 C ATOM 1099 O LEU A 76 -7.616 -1.605 -5.185 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.022 -2.116 -3.338 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.562 -2.087 -2.836 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.887 -0.714 -2.900 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.511 -2.565 -1.385 1.00 1.00 C ATOM 0 H LEU A 76 -5.389 0.235 -3.737 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.407 -1.877 -5.399 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.638 -1.539 -2.648 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.381 -3.145 -3.302 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.015 -2.743 -3.512 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.866 -0.793 -2.527 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.871 -0.364 -3.932 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.444 -0.006 -2.286 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.480 -2.544 -1.031 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.121 -1.909 -0.764 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.895 -3.583 -1.324 1.00 1.00 H new ATOM 1115 N SER A 77 -6.421 -3.254 -6.097 1.00 1.00 N ATOM 1116 CA SER A 77 -7.558 -4.020 -6.613 1.00 1.00 C ATOM 1117 C SER A 77 -7.664 -5.313 -5.814 1.00 1.00 C ATOM 1118 O SER A 77 -6.708 -6.089 -5.753 1.00 1.00 O ATOM 1119 CB SER A 77 -7.386 -4.346 -8.097 1.00 1.00 C ATOM 1120 OG SER A 77 -7.193 -3.174 -8.870 1.00 1.00 O ATOM 0 H SER A 77 -5.520 -3.668 -6.335 1.00 1.00 H new ATOM 0 HA SER A 77 -8.464 -3.424 -6.509 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.534 -5.013 -8.227 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.266 -4.879 -8.457 1.00 1.00 H new ATOM 0 HG SER A 77 -7.085 -3.418 -9.813 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.812 -5.543 -5.180 1.00 1.00 N ATOM 1127 CA VAL A 78 -8.993 -6.625 -4.199 1.00 1.00 C ATOM 1128 C VAL A 78 -10.255 -7.442 -4.473 1.00 1.00 C ATOM 1129 O VAL A 78 -11.160 -7.003 -5.186 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.963 -6.086 -2.747 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.791 -5.132 -2.486 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.238 -5.343 -2.335 1.00 1.00 C ATOM 0 H VAL A 78 -9.652 -4.983 -5.330 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.147 -7.304 -4.312 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.859 -6.993 -2.152 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.825 -4.789 -1.452 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.851 -5.653 -2.665 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.863 -4.275 -3.155 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.141 -4.996 -1.306 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.390 -4.488 -2.994 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.092 -6.016 -2.412 1.00 1.00 H new ATOM 1142 N THR A 79 -10.324 -8.635 -3.889 1.00 1.00 N ATOM 1143 CA THR A 79 -11.481 -9.544 -3.977 1.00 1.00 C ATOM 1144 C THR A 79 -11.675 -10.286 -2.644 1.00 1.00 C ATOM 1145 O THR A 79 -10.676 -10.628 -2.003 1.00 1.00 O ATOM 1146 CB THR A 79 -11.290 -10.523 -5.151 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.388 -11.401 -5.228 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.030 -11.388 -5.065 1.00 1.00 C ATOM 0 H THR A 79 -9.562 -9.013 -3.326 1.00 1.00 H new ATOM 0 HA THR A 79 -12.385 -8.965 -4.167 1.00 1.00 H new ATOM 0 HB THR A 79 -11.197 -9.886 -6.030 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.261 -12.019 -5.978 1.00 1.00 H new ATOM 0 HG21 THR A 79 -9.980 -12.045 -5.933 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.149 -10.747 -5.044 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.063 -11.989 -4.156 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.915 -10.515 -2.165 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.164 -11.203 -0.900 1.00 1.00 C ATOM 1158 C PRO A 80 -12.837 -12.701 -0.982 1.00 1.00 C ATOM 1159 O PRO A 80 -13.658 -13.527 -1.385 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.616 -10.902 -0.541 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.289 -10.706 -1.900 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.180 -10.082 -2.752 1.00 1.00 C ATOM 0 HA PRO A 80 -12.506 -10.847 -0.108 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -15.069 -11.722 0.016 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.699 -10.010 0.080 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.635 -11.651 -2.318 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.158 -10.052 -1.829 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.258 -10.407 -3.789 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.256 -8.995 -2.752 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.611 -13.046 -0.581 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.154 -14.425 -0.404 1.00 1.00 C ATOM 1172 C HIS A 81 -11.943 -15.146 0.712 1.00 1.00 C ATOM 1173 O HIS A 81 -12.214 -16.342 0.598 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.647 -14.396 -0.098 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.942 -15.738 -0.102 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.508 -16.983 0.067 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.595 -15.941 -0.262 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.537 -17.909 0.010 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.345 -17.318 -0.191 1.00 1.00 N ATOM 0 H HIS A 81 -10.891 -12.356 -0.365 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.333 -14.990 -1.319 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.160 -13.750 -0.829 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.504 -13.936 0.880 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.500 -17.170 0.211 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.854 -15.171 -0.416 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.691 -18.973 0.111 1.00 1.00 H new