USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 180:sc= 0.888 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 70 SER OG : rot 81:sc= 1.02 USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0403 K(o=0.47,f=-0.21) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.511 K(o=0.47,f=-0.21) USER MOD Set 3.1: A 12 HIS : no HE2:sc= 1 K(o=3.4,f=-7.4!) USER MOD Set 3.2: A 30 LYS NZ :NH3+ -175:sc= 2.43 (180deg=1.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0702) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.13) USER MOD Single : A 10 THR OG1 : rot 63:sc= 0.805 USER MOD Single : A 14 ASN : amide:sc= 0.89 K(o=0.89,f=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.2!) USER MOD Single : A 33 THR OG1 : rot 27:sc= 0.148 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -134:sc= -0.0204 (180deg=-0.671) USER MOD Single : A 40 ASN : amide:sc= 1.34 K(o=1.3,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -174:sc= 0.561 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -116:sc= 0 (180deg=-0.115) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00148 X(o=-0.0015,f=-0.0015) USER MOD Single : A 73 MET CE :methyl 156:sc= -0.141 (180deg=-1.91) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.747 -7.628 -22.338 1.00 0.00 N ATOM 2 CA MET A 1 14.113 -7.358 -21.024 1.00 0.00 C ATOM 3 C MET A 1 13.919 -5.875 -20.768 1.00 0.00 C ATOM 4 O MET A 1 14.870 -5.103 -20.832 1.00 0.00 O ATOM 5 CB MET A 1 14.981 -7.967 -19.884 1.00 0.00 C ATOM 6 CG MET A 1 15.140 -9.499 -19.938 1.00 0.00 C ATOM 7 SD MET A 1 16.133 -10.157 -18.566 1.00 0.00 S ATOM 8 CE MET A 1 15.839 -11.897 -19.006 1.00 0.00 C ATOM 0 H1 MET A 1 14.765 -8.653 -22.510 1.00 0.00 H new ATOM 0 H2 MET A 1 14.201 -7.160 -23.090 1.00 0.00 H new ATOM 0 H3 MET A 1 15.720 -7.260 -22.336 1.00 0.00 H new ATOM 0 HA MET A 1 13.127 -7.823 -21.042 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.971 -7.512 -19.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.538 -7.696 -18.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.153 -9.962 -19.920 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.606 -9.778 -20.883 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.356 -12.544 -18.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.769 -12.105 -18.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.215 -12.087 -20.011 1.00 0.00 H new ATOM 20 N SER A 2 12.678 -5.435 -20.482 1.00 0.00 N ATOM 21 CA SER A 2 12.331 -4.032 -20.247 1.00 0.00 C ATOM 22 C SER A 2 12.781 -3.542 -18.879 1.00 0.00 C ATOM 23 O SER A 2 11.983 -3.377 -17.961 1.00 0.00 O ATOM 24 CB SER A 2 10.804 -3.791 -20.374 1.00 0.00 C ATOM 25 OG SER A 2 10.327 -4.170 -21.671 1.00 0.00 O ATOM 0 H SER A 2 11.877 -6.063 -20.408 1.00 0.00 H new ATOM 0 HA SER A 2 12.860 -3.469 -21.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.278 -4.362 -19.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.583 -2.739 -20.195 1.00 0.00 H new ATOM 0 HG SER A 2 9.362 -4.010 -21.724 1.00 0.00 H new ATOM 31 N ASP A 3 14.100 -3.340 -18.736 1.00 0.00 N ATOM 32 CA ASP A 3 14.807 -3.007 -17.523 1.00 0.00 C ATOM 33 C ASP A 3 16.201 -2.604 -18.017 1.00 0.00 C ATOM 34 O ASP A 3 16.353 -1.982 -19.069 1.00 0.00 O ATOM 35 CB ASP A 3 14.837 -4.272 -16.605 1.00 0.00 C ATOM 36 CG ASP A 3 15.158 -4.004 -15.147 1.00 0.00 C ATOM 37 OD1 ASP A 3 16.254 -3.478 -14.832 1.00 0.00 O ATOM 38 OD2 ASP A 3 14.350 -4.431 -14.284 1.00 0.00 O ATOM 0 H ASP A 3 14.732 -3.414 -19.533 1.00 0.00 H new ATOM 0 HA ASP A 3 14.357 -2.209 -16.932 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.867 -4.766 -16.662 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.574 -4.971 -17.000 1.00 0.00 H new ATOM 43 N GLU A 4 17.265 -2.991 -17.304 1.00 0.00 N ATOM 44 CA GLU A 4 18.585 -3.167 -17.865 1.00 0.00 C ATOM 45 C GLU A 4 19.139 -4.455 -17.290 1.00 0.00 C ATOM 46 O GLU A 4 19.503 -4.514 -16.117 1.00 0.00 O ATOM 47 CB GLU A 4 19.544 -1.993 -17.547 1.00 0.00 C ATOM 48 CG GLU A 4 20.988 -2.188 -18.085 1.00 0.00 C ATOM 49 CD GLU A 4 21.029 -2.188 -19.599 1.00 0.00 C ATOM 50 OE1 GLU A 4 20.807 -1.107 -20.202 1.00 0.00 O ATOM 51 OE2 GLU A 4 21.290 -3.265 -20.198 1.00 0.00 O ATOM 0 H GLU A 4 17.219 -3.191 -16.305 1.00 0.00 H new ATOM 0 HA GLU A 4 18.505 -3.200 -18.952 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.131 -1.077 -17.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 19.586 -1.855 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 4 21.628 -1.392 -17.704 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.391 -3.129 -17.710 1.00 0.00 H new ATOM 58 N LYS A 5 19.196 -5.522 -18.119 1.00 0.00 N ATOM 59 CA LYS A 5 19.757 -6.834 -17.821 1.00 0.00 C ATOM 60 C LYS A 5 19.499 -7.439 -16.432 1.00 0.00 C ATOM 61 O LYS A 5 20.310 -7.358 -15.511 1.00 0.00 O ATOM 62 CB LYS A 5 21.256 -6.804 -18.174 1.00 0.00 C ATOM 63 CG LYS A 5 21.898 -8.177 -18.419 1.00 0.00 C ATOM 64 CD LYS A 5 23.297 -8.011 -19.034 1.00 0.00 C ATOM 65 CE LYS A 5 23.266 -7.623 -20.524 1.00 0.00 C ATOM 66 NZ LYS A 5 24.473 -6.861 -20.879 1.00 0.00 N ATOM 0 H LYS A 5 18.826 -5.474 -19.068 1.00 0.00 H new ATOM 0 HA LYS A 5 19.199 -7.532 -18.445 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.390 -6.193 -19.067 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.793 -6.309 -17.365 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.969 -8.725 -17.480 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.268 -8.767 -19.085 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.842 -7.248 -18.478 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.849 -8.944 -18.920 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.200 -8.520 -21.139 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.377 -7.028 -20.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 24.439 -6.606 -21.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.519 -5.996 -20.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.316 -7.442 -20.698 1.00 0.00 H new ATOM 80 N LYS A 6 18.332 -8.085 -16.241 1.00 0.00 N ATOM 81 CA LYS A 6 17.897 -8.536 -14.931 1.00 0.00 C ATOM 82 C LYS A 6 18.596 -9.805 -14.441 1.00 0.00 C ATOM 83 O LYS A 6 18.192 -10.919 -14.765 1.00 0.00 O ATOM 84 CB LYS A 6 16.371 -8.809 -14.922 1.00 0.00 C ATOM 85 CG LYS A 6 15.505 -7.637 -15.413 1.00 0.00 C ATOM 86 CD LYS A 6 14.004 -7.971 -15.344 1.00 0.00 C ATOM 87 CE LYS A 6 13.403 -7.844 -13.934 1.00 0.00 C ATOM 88 NZ LYS A 6 12.833 -6.500 -13.735 1.00 0.00 N ATOM 0 H LYS A 6 17.678 -8.301 -16.993 1.00 0.00 H new ATOM 0 HA LYS A 6 18.164 -7.722 -14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.168 -9.679 -15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.068 -9.067 -13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.710 -6.754 -14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.776 -7.389 -16.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.463 -7.309 -16.020 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.851 -8.989 -15.704 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.629 -8.598 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.173 -8.033 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.343 -6.463 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.596 -5.794 -13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.157 -6.293 -14.498 1.00 0.00 H new ATOM 102 N GLY A 7 19.652 -9.662 -13.617 1.00 0.00 N ATOM 103 CA GLY A 7 20.334 -10.799 -13.006 1.00 0.00 C ATOM 104 C GLY A 7 20.960 -10.421 -11.693 1.00 0.00 C ATOM 105 O GLY A 7 22.070 -9.893 -11.653 1.00 0.00 O ATOM 0 H GLY A 7 20.048 -8.757 -13.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.624 -11.611 -12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.102 -11.171 -13.683 1.00 0.00 H new ATOM 109 N GLY A 8 20.267 -10.685 -10.572 1.00 0.00 N ATOM 110 CA GLY A 8 20.780 -10.347 -9.247 1.00 0.00 C ATOM 111 C GLY A 8 19.699 -10.340 -8.202 1.00 0.00 C ATOM 112 O GLY A 8 19.226 -11.387 -7.771 1.00 0.00 O ATOM 0 H GLY A 8 19.350 -11.132 -10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 8 21.551 -11.064 -8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.254 -9.366 -9.283 1.00 0.00 H new ATOM 116 N GLU A 9 19.264 -9.143 -7.768 1.00 0.00 N ATOM 117 CA GLU A 9 18.382 -8.960 -6.626 1.00 0.00 C ATOM 118 C GLU A 9 16.937 -9.335 -6.944 1.00 0.00 C ATOM 119 O GLU A 9 16.146 -8.551 -7.477 1.00 0.00 O ATOM 120 CB GLU A 9 18.477 -7.501 -6.117 1.00 0.00 C ATOM 121 CG GLU A 9 17.826 -7.272 -4.733 1.00 0.00 C ATOM 122 CD GLU A 9 17.980 -5.837 -4.264 1.00 0.00 C ATOM 123 OE1 GLU A 9 19.119 -5.305 -4.263 1.00 0.00 O ATOM 124 OE2 GLU A 9 16.965 -5.238 -3.829 1.00 0.00 O ATOM 0 H GLU A 9 19.527 -8.266 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 9 18.713 -9.637 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.527 -7.213 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.002 -6.842 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.767 -7.525 -4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.280 -7.943 -4.003 1.00 0.00 H new ATOM 131 N THR A 10 16.574 -10.589 -6.634 1.00 0.00 N ATOM 132 CA THR A 10 15.419 -11.292 -7.185 1.00 0.00 C ATOM 133 C THR A 10 14.240 -11.239 -6.230 1.00 0.00 C ATOM 134 O THR A 10 13.082 -11.403 -6.624 1.00 0.00 O ATOM 135 CB THR A 10 15.798 -12.735 -7.518 1.00 0.00 C ATOM 136 OG1 THR A 10 16.796 -12.731 -8.533 1.00 0.00 O ATOM 137 CG2 THR A 10 14.630 -13.547 -8.099 1.00 0.00 C ATOM 0 H THR A 10 17.099 -11.156 -5.969 1.00 0.00 H new ATOM 0 HA THR A 10 15.113 -10.793 -8.105 1.00 0.00 H new ATOM 0 HB THR A 10 16.127 -13.184 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 10 17.602 -12.286 -8.197 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.964 -14.562 -8.314 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.814 -13.579 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.282 -13.077 -9.019 1.00 0.00 H new ATOM 145 N GLU A 11 14.519 -10.960 -4.942 1.00 0.00 N ATOM 146 CA GLU A 11 13.637 -10.958 -3.787 1.00 0.00 C ATOM 147 C GLU A 11 12.537 -9.891 -3.803 1.00 0.00 C ATOM 148 O GLU A 11 12.485 -8.955 -3.000 1.00 0.00 O ATOM 149 CB GLU A 11 14.488 -10.822 -2.492 1.00 0.00 C ATOM 150 CG GLU A 11 15.425 -12.024 -2.167 1.00 0.00 C ATOM 151 CD GLU A 11 16.486 -12.330 -3.214 1.00 0.00 C ATOM 152 OE1 GLU A 11 17.029 -11.381 -3.845 1.00 0.00 O ATOM 153 OE2 GLU A 11 16.764 -13.534 -3.442 1.00 0.00 O ATOM 0 H GLU A 11 15.469 -10.706 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 11 13.106 -11.910 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.098 -9.922 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.812 -10.674 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.923 -11.828 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.811 -12.913 -2.027 1.00 0.00 H new ATOM 160 N HIS A 12 11.584 -10.051 -4.732 1.00 0.00 N ATOM 161 CA HIS A 12 10.348 -9.306 -4.793 1.00 0.00 C ATOM 162 C HIS A 12 9.256 -10.029 -4.019 1.00 0.00 C ATOM 163 O HIS A 12 9.067 -11.233 -4.161 1.00 0.00 O ATOM 164 CB HIS A 12 9.883 -9.092 -6.254 1.00 0.00 C ATOM 165 CG HIS A 12 10.765 -8.167 -7.066 1.00 0.00 C ATOM 166 ND1 HIS A 12 10.370 -6.918 -7.494 1.00 0.00 N ATOM 167 CD2 HIS A 12 12.014 -8.349 -7.586 1.00 0.00 C ATOM 168 CE1 HIS A 12 11.374 -6.410 -8.239 1.00 0.00 C ATOM 169 NE2 HIS A 12 12.399 -7.233 -8.323 1.00 0.00 N ATOM 0 H HIS A 12 11.670 -10.734 -5.485 1.00 0.00 H new ATOM 0 HA HIS A 12 10.534 -8.330 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.838 -10.060 -6.753 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.870 -8.691 -6.244 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.482 -6.461 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.618 -9.233 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.341 -5.440 -8.712 1.00 0.00 H new ATOM 177 N ILE A 13 8.499 -9.305 -3.180 1.00 0.00 N ATOM 178 CA ILE A 13 7.428 -9.847 -2.362 1.00 0.00 C ATOM 179 C ILE A 13 6.079 -9.418 -2.912 1.00 0.00 C ATOM 180 O ILE A 13 5.887 -8.280 -3.340 1.00 0.00 O ATOM 181 CB ILE A 13 7.556 -9.472 -0.886 1.00 0.00 C ATOM 182 CG1 ILE A 13 7.707 -7.946 -0.660 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.755 -10.261 -0.314 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.643 -7.545 0.821 1.00 0.00 C ATOM 0 H ILE A 13 8.627 -8.301 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 13 7.509 -10.933 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 13 6.637 -9.738 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.658 -7.615 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.920 -7.425 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.879 -10.019 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.572 -11.330 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.661 -9.991 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.755 -6.464 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.682 -7.846 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.446 -8.040 1.367 1.00 0.00 H new ATOM 196 N ASN A 14 5.111 -10.352 -2.950 1.00 0.00 N ATOM 197 CA ASN A 14 3.785 -10.139 -3.507 1.00 0.00 C ATOM 198 C ASN A 14 2.818 -9.576 -2.475 1.00 0.00 C ATOM 199 O ASN A 14 2.783 -10.041 -1.337 1.00 0.00 O ATOM 200 CB ASN A 14 3.205 -11.469 -4.063 1.00 0.00 C ATOM 201 CG ASN A 14 4.081 -11.945 -5.214 1.00 0.00 C ATOM 202 OD1 ASN A 14 3.964 -11.446 -6.336 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.989 -12.910 -4.961 1.00 0.00 N ATOM 0 H ASN A 14 5.244 -11.294 -2.583 1.00 0.00 H new ATOM 0 HA ASN A 14 3.896 -9.414 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.172 -12.224 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.181 -11.320 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.600 -13.244 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.065 -13.306 -4.024 1.00 0.00 H new ATOM 210 N LEU A 15 2.005 -8.572 -2.857 1.00 0.00 N ATOM 211 CA LEU A 15 0.994 -7.981 -2.000 1.00 0.00 C ATOM 212 C LEU A 15 -0.326 -7.878 -2.749 1.00 0.00 C ATOM 213 O LEU A 15 -0.369 -7.793 -3.978 1.00 0.00 O ATOM 214 CB LEU A 15 1.361 -6.561 -1.485 1.00 0.00 C ATOM 215 CG LEU A 15 2.623 -6.488 -0.597 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.892 -6.201 -1.411 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.463 -5.415 0.493 1.00 0.00 C ATOM 0 H LEU A 15 2.044 -8.152 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 15 0.919 -8.641 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.503 -5.906 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.516 -6.167 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 15 2.733 -7.468 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.752 -6.159 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.041 -6.994 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.786 -5.246 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.364 -5.382 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.306 -4.443 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.606 -5.659 1.121 1.00 0.00 H new ATOM 229 N LYS A 16 -1.453 -7.890 -2.014 1.00 0.00 N ATOM 230 CA LYS A 16 -2.774 -7.674 -2.572 1.00 0.00 C ATOM 231 C LYS A 16 -3.510 -6.557 -1.858 1.00 0.00 C ATOM 232 O LYS A 16 -3.483 -6.440 -0.634 1.00 0.00 O ATOM 233 CB LYS A 16 -3.649 -8.949 -2.521 1.00 0.00 C ATOM 234 CG LYS A 16 -2.966 -10.153 -3.180 1.00 0.00 C ATOM 235 CD LYS A 16 -3.941 -11.304 -3.463 1.00 0.00 C ATOM 236 CE LYS A 16 -3.220 -12.563 -3.950 1.00 0.00 C ATOM 237 NZ LYS A 16 -4.181 -13.595 -4.366 1.00 0.00 N ATOM 0 H LYS A 16 -1.458 -8.053 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.610 -7.397 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.878 -9.188 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.598 -8.755 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.503 -9.836 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.165 -10.511 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.501 -11.535 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.666 -10.988 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.567 -12.312 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.584 -12.953 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.666 -14.438 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.787 -13.850 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.770 -13.229 -5.141 1.00 0.00 H new ATOM 251 N VAL A 17 -4.213 -5.714 -2.633 1.00 0.00 N ATOM 252 CA VAL A 17 -5.025 -4.626 -2.125 1.00 0.00 C ATOM 253 C VAL A 17 -6.484 -5.017 -2.233 1.00 0.00 C ATOM 254 O VAL A 17 -7.037 -5.161 -3.326 1.00 0.00 O ATOM 255 CB VAL A 17 -4.789 -3.323 -2.876 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.626 -2.190 -2.259 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.293 -2.959 -2.816 1.00 0.00 C ATOM 0 H VAL A 17 -4.224 -5.782 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.743 -4.453 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.091 -3.453 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.446 -1.265 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.684 -2.446 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.342 -2.055 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.124 -2.026 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.989 -2.839 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.706 -3.754 -3.276 1.00 0.00 H new ATOM 267 N LEU A 18 -7.151 -5.219 -1.085 1.00 0.00 N ATOM 268 CA LEU A 18 -8.534 -5.635 -1.026 1.00 0.00 C ATOM 269 C LEU A 18 -9.438 -4.420 -0.916 1.00 0.00 C ATOM 270 O LEU A 18 -9.780 -3.954 0.169 1.00 0.00 O ATOM 271 CB LEU A 18 -8.811 -6.612 0.145 1.00 0.00 C ATOM 272 CG LEU A 18 -8.193 -8.021 -0.021 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.701 -8.083 0.348 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.966 -9.030 0.840 1.00 0.00 C ATOM 0 H LEU A 18 -6.725 -5.092 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.748 -6.172 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.429 -6.170 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.889 -6.716 0.265 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.271 -8.269 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.334 -9.100 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.139 -7.403 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.571 -7.791 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.528 -10.021 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.911 -8.733 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.009 -9.054 0.524 1.00 0.00 H new ATOM 286 N GLY A 19 -9.848 -3.865 -2.072 1.00 0.00 N ATOM 287 CA GLY A 19 -10.786 -2.754 -2.135 1.00 0.00 C ATOM 288 C GLY A 19 -12.213 -3.222 -2.085 1.00 0.00 C ATOM 289 O GLY A 19 -12.666 -3.954 -2.957 1.00 0.00 O ATOM 0 H GLY A 19 -9.530 -4.184 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.598 -2.073 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.621 -2.191 -3.053 1.00 0.00 H new ATOM 293 N GLN A 20 -12.988 -2.776 -1.074 1.00 0.00 N ATOM 294 CA GLN A 20 -14.365 -3.223 -0.877 1.00 0.00 C ATOM 295 C GLN A 20 -15.357 -2.732 -1.930 1.00 0.00 C ATOM 296 O GLN A 20 -16.487 -3.203 -2.014 1.00 0.00 O ATOM 297 CB GLN A 20 -14.870 -2.928 0.561 1.00 0.00 C ATOM 298 CG GLN A 20 -14.931 -1.443 1.010 1.00 0.00 C ATOM 299 CD GLN A 20 -15.977 -0.556 0.328 1.00 0.00 C ATOM 300 OE1 GLN A 20 -15.662 0.533 -0.161 1.00 0.00 O ATOM 301 NE2 GLN A 20 -17.249 -1.004 0.309 1.00 0.00 N ATOM 0 H GLN A 20 -12.670 -2.100 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.322 -4.304 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.870 -3.350 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.228 -3.464 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.115 -1.421 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.950 -0.998 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.477 -1.908 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.983 -0.438 -0.118 1.00 0.00 H new ATOM 310 N ASP A 21 -14.927 -1.821 -2.822 1.00 0.00 N ATOM 311 CA ASP A 21 -15.616 -1.425 -4.039 1.00 0.00 C ATOM 312 C ASP A 21 -15.477 -2.489 -5.151 1.00 0.00 C ATOM 313 O ASP A 21 -15.672 -2.220 -6.332 1.00 0.00 O ATOM 314 CB ASP A 21 -14.996 -0.062 -4.461 1.00 0.00 C ATOM 315 CG ASP A 21 -15.809 0.666 -5.509 1.00 0.00 C ATOM 316 OD1 ASP A 21 -17.013 0.947 -5.275 1.00 0.00 O ATOM 317 OD2 ASP A 21 -15.242 1.009 -6.576 1.00 0.00 O ATOM 0 H ASP A 21 -14.045 -1.324 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.688 -1.330 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.899 0.573 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.990 -0.231 -4.845 1.00 0.00 H new ATOM 322 N ASN A 22 -15.099 -3.734 -4.784 1.00 0.00 N ATOM 323 CA ASN A 22 -14.923 -4.902 -5.634 1.00 0.00 C ATOM 324 C ASN A 22 -13.633 -4.894 -6.444 1.00 0.00 C ATOM 325 O ASN A 22 -13.160 -5.949 -6.870 1.00 0.00 O ATOM 326 CB ASN A 22 -16.156 -5.235 -6.517 1.00 0.00 C ATOM 327 CG ASN A 22 -17.349 -5.528 -5.615 1.00 0.00 C ATOM 328 OD1 ASN A 22 -17.332 -6.518 -4.879 1.00 0.00 O ATOM 329 ND2 ASN A 22 -18.400 -4.686 -5.669 1.00 0.00 N ATOM 0 H ASN A 22 -14.897 -3.950 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.829 -5.721 -4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.381 -4.399 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.943 -6.096 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.221 -4.857 -5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.375 -3.878 -6.291 1.00 0.00 H new ATOM 336 N ALA A 23 -13.013 -3.718 -6.646 1.00 0.00 N ATOM 337 CA ALA A 23 -11.760 -3.534 -7.347 1.00 0.00 C ATOM 338 C ALA A 23 -10.520 -4.016 -6.584 1.00 0.00 C ATOM 339 O ALA A 23 -9.645 -3.244 -6.185 1.00 0.00 O ATOM 340 CB ALA A 23 -11.623 -2.045 -7.723 1.00 0.00 C ATOM 0 H ALA A 23 -13.401 -2.839 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.798 -4.165 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.683 -1.888 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.454 -1.754 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.635 -1.438 -6.817 1.00 0.00 H new ATOM 346 N VAL A 24 -10.410 -5.344 -6.390 1.00 0.00 N ATOM 347 CA VAL A 24 -9.276 -6.019 -5.779 1.00 0.00 C ATOM 348 C VAL A 24 -8.153 -6.200 -6.798 1.00 0.00 C ATOM 349 O VAL A 24 -8.392 -6.577 -7.947 1.00 0.00 O ATOM 350 CB VAL A 24 -9.695 -7.365 -5.185 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.516 -8.079 -4.490 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.833 -7.128 -4.171 1.00 0.00 C ATOM 0 H VAL A 24 -11.146 -5.992 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.905 -5.397 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.033 -8.009 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.856 -9.031 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.721 -8.258 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.137 -7.453 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.141 -8.081 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.482 -6.468 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.681 -6.668 -4.677 1.00 0.00 H new ATOM 362 N VAL A 25 -6.898 -5.897 -6.400 1.00 0.00 N ATOM 363 CA VAL A 25 -5.748 -5.858 -7.295 1.00 0.00 C ATOM 364 C VAL A 25 -4.499 -6.431 -6.617 1.00 0.00 C ATOM 365 O VAL A 25 -4.357 -6.410 -5.396 1.00 0.00 O ATOM 366 CB VAL A 25 -5.539 -4.434 -7.825 1.00 0.00 C ATOM 367 CG1 VAL A 25 -5.255 -3.441 -6.683 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.452 -4.355 -8.914 1.00 0.00 C ATOM 0 H VAL A 25 -6.665 -5.672 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.945 -6.497 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.477 -4.145 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.112 -2.442 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.098 -3.431 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.354 -3.746 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.349 -3.323 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.502 -4.700 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.735 -4.985 -9.757 1.00 0.00 H new ATOM 378 N GLN A 26 -3.563 -7.006 -7.404 1.00 0.00 N ATOM 379 CA GLN A 26 -2.348 -7.650 -6.926 1.00 0.00 C ATOM 380 C GLN A 26 -1.115 -7.039 -7.587 1.00 0.00 C ATOM 381 O GLN A 26 -1.137 -6.721 -8.775 1.00 0.00 O ATOM 382 CB GLN A 26 -2.439 -9.171 -7.238 1.00 0.00 C ATOM 383 CG GLN A 26 -1.225 -10.040 -6.810 1.00 0.00 C ATOM 384 CD GLN A 26 -0.355 -10.483 -7.988 1.00 0.00 C ATOM 385 OE1 GLN A 26 0.466 -9.735 -8.522 1.00 0.00 O ATOM 386 NE2 GLN A 26 -0.524 -11.751 -8.423 1.00 0.00 N ATOM 0 H GLN A 26 -3.648 -7.028 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.253 -7.499 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.330 -9.566 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.583 -9.291 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.613 -9.476 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.586 -10.922 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.207 -12.358 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.032 -12.101 -9.203 1.00 0.00 H new ATOM 395 N PHE A 27 -0.007 -6.858 -6.838 1.00 0.00 N ATOM 396 CA PHE A 27 1.255 -6.391 -7.395 1.00 0.00 C ATOM 397 C PHE A 27 2.423 -6.860 -6.530 1.00 0.00 C ATOM 398 O PHE A 27 2.240 -7.518 -5.507 1.00 0.00 O ATOM 399 CB PHE A 27 1.280 -4.846 -7.624 1.00 0.00 C ATOM 400 CG PHE A 27 0.851 -4.055 -6.411 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.693 -3.917 -5.292 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.403 -3.422 -6.396 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.281 -3.183 -4.173 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.812 -2.673 -5.288 1.00 0.00 C ATOM 405 CZ PHE A 27 0.028 -2.557 -4.174 1.00 0.00 C ATOM 0 H PHE A 27 0.026 -7.034 -5.834 1.00 0.00 H new ATOM 0 HA PHE A 27 1.361 -6.836 -8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.288 -4.544 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.626 -4.599 -8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.668 -4.382 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.058 -3.515 -7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.927 -3.100 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.775 -2.184 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.290 -1.985 -3.315 1.00 0.00 H new ATOM 415 N LYS A 28 3.679 -6.541 -6.916 1.00 0.00 N ATOM 416 CA LYS A 28 4.831 -6.893 -6.099 1.00 0.00 C ATOM 417 C LYS A 28 5.921 -5.826 -6.043 1.00 0.00 C ATOM 418 O LYS A 28 6.085 -5.014 -6.954 1.00 0.00 O ATOM 419 CB LYS A 28 5.403 -8.280 -6.485 1.00 0.00 C ATOM 420 CG LYS A 28 6.053 -8.454 -7.864 1.00 0.00 C ATOM 421 CD LYS A 28 6.488 -9.926 -7.999 1.00 0.00 C ATOM 422 CE LYS A 28 7.492 -10.235 -9.109 1.00 0.00 C ATOM 423 NZ LYS A 28 8.066 -11.574 -8.897 1.00 0.00 N ATOM 0 H LYS A 28 3.905 -6.047 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 28 4.447 -6.953 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.145 -8.552 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.592 -9.004 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.350 -8.190 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.912 -7.791 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.919 -10.244 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.597 -10.532 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.001 -10.189 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.284 -9.486 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.749 -11.783 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.549 -11.603 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.306 -12.284 -8.911 1.00 0.00 H new ATOM 437 N ILE A 29 6.689 -5.795 -4.934 1.00 0.00 N ATOM 438 CA ILE A 29 7.714 -4.796 -4.638 1.00 0.00 C ATOM 439 C ILE A 29 8.970 -5.522 -4.168 1.00 0.00 C ATOM 440 O ILE A 29 8.886 -6.669 -3.743 1.00 0.00 O ATOM 441 CB ILE A 29 7.211 -3.803 -3.581 1.00 0.00 C ATOM 442 CG1 ILE A 29 8.064 -2.514 -3.504 1.00 0.00 C ATOM 443 CG2 ILE A 29 7.057 -4.493 -2.205 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.493 -1.459 -2.547 1.00 0.00 C ATOM 0 H ILE A 29 6.602 -6.496 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 29 7.945 -4.218 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 29 6.222 -3.473 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.073 -2.774 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.146 -2.082 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.699 -3.769 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.341 -5.311 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.022 -4.886 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.141 -0.583 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.495 -1.171 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.437 -1.873 -1.540 1.00 0.00 H new ATOM 456 N LYS A 30 10.184 -4.927 -4.211 1.00 0.00 N ATOM 457 CA LYS A 30 11.348 -5.542 -3.584 1.00 0.00 C ATOM 458 C LYS A 30 11.306 -5.390 -2.064 1.00 0.00 C ATOM 459 O LYS A 30 10.861 -4.376 -1.535 1.00 0.00 O ATOM 460 CB LYS A 30 12.701 -4.972 -4.078 1.00 0.00 C ATOM 461 CG LYS A 30 13.033 -5.255 -5.552 1.00 0.00 C ATOM 462 CD LYS A 30 14.540 -5.053 -5.797 1.00 0.00 C ATOM 463 CE LYS A 30 15.020 -4.868 -7.244 1.00 0.00 C ATOM 464 NZ LYS A 30 15.021 -6.117 -8.029 1.00 0.00 N ATOM 0 H LYS A 30 10.369 -4.035 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 30 11.292 -6.591 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.700 -3.893 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.498 -5.382 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.747 -6.275 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.458 -4.591 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.856 -4.180 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.064 -5.913 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.381 -4.137 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.028 -4.454 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.434 -5.938 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.585 -6.838 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.045 -6.458 -8.141 1.00 0.00 H new ATOM 478 N LYS A 31 11.781 -6.396 -1.299 1.00 0.00 N ATOM 479 CA LYS A 31 11.696 -6.333 0.156 1.00 0.00 C ATOM 480 C LYS A 31 12.776 -5.490 0.842 1.00 0.00 C ATOM 481 O LYS A 31 12.804 -5.367 2.063 1.00 0.00 O ATOM 482 CB LYS A 31 11.602 -7.739 0.801 1.00 0.00 C ATOM 483 CG LYS A 31 12.833 -8.648 0.652 1.00 0.00 C ATOM 484 CD LYS A 31 12.621 -10.032 1.306 1.00 0.00 C ATOM 485 CE LYS A 31 12.630 -10.003 2.843 1.00 0.00 C ATOM 486 NZ LYS A 31 12.269 -11.323 3.400 1.00 0.00 N ATOM 0 H LYS A 31 12.217 -7.242 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 31 10.762 -5.801 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.398 -7.613 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.744 -8.255 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.059 -8.779 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.697 -8.163 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.670 -10.442 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.402 -10.710 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.618 -9.712 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.928 -9.249 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.282 -11.277 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.316 -11.587 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.954 -12.035 3.076 1.00 0.00 H new ATOM 500 N HIS A 32 13.682 -4.850 0.078 1.00 0.00 N ATOM 501 CA HIS A 32 14.621 -3.879 0.621 1.00 0.00 C ATOM 502 C HIS A 32 14.045 -2.467 0.660 1.00 0.00 C ATOM 503 O HIS A 32 14.373 -1.668 1.538 1.00 0.00 O ATOM 504 CB HIS A 32 15.947 -3.877 -0.176 1.00 0.00 C ATOM 505 CG HIS A 32 16.632 -5.219 -0.121 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.888 -5.996 -1.228 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.122 -5.915 0.940 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.509 -7.120 -0.797 1.00 0.00 C ATOM 509 NE2 HIS A 32 17.679 -7.114 0.515 1.00 0.00 N ATOM 0 H HIS A 32 13.775 -4.998 -0.927 1.00 0.00 H new ATOM 0 HA HIS A 32 14.818 -4.188 1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.747 -3.613 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.612 -3.112 0.225 1.00 0.00 H new ATOM 0 HD1 HIS A 32 16.653 -5.768 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.083 -5.582 1.967 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.827 -7.923 -1.445 1.00 0.00 H new ATOM 517 N THR A 33 13.163 -2.116 -0.293 1.00 0.00 N ATOM 518 CA THR A 33 12.598 -0.778 -0.443 1.00 0.00 C ATOM 519 C THR A 33 11.413 -0.515 0.486 1.00 0.00 C ATOM 520 O THR A 33 10.684 -1.450 0.820 1.00 0.00 O ATOM 521 CB THR A 33 12.129 -0.517 -1.875 1.00 0.00 C ATOM 522 OG1 THR A 33 11.466 -1.650 -2.426 1.00 0.00 O ATOM 523 CG2 THR A 33 13.359 -0.264 -2.759 1.00 0.00 C ATOM 0 H THR A 33 12.821 -2.775 -0.992 1.00 0.00 H new ATOM 0 HA THR A 33 13.413 -0.105 -0.178 1.00 0.00 H new ATOM 0 HB THR A 33 11.448 0.334 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.064 -2.177 -1.704 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.038 -0.076 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.904 0.603 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.009 -1.139 -2.737 1.00 0.00 H new ATOM 531 N PRO A 34 11.146 0.717 0.944 1.00 0.00 N ATOM 532 CA PRO A 34 9.918 1.036 1.665 1.00 0.00 C ATOM 533 C PRO A 34 8.714 1.110 0.742 1.00 0.00 C ATOM 534 O PRO A 34 8.859 1.139 -0.478 1.00 0.00 O ATOM 535 CB PRO A 34 10.221 2.427 2.248 1.00 0.00 C ATOM 536 CG PRO A 34 11.113 3.076 1.190 1.00 0.00 C ATOM 537 CD PRO A 34 11.984 1.906 0.731 1.00 0.00 C ATOM 0 HA PRO A 34 9.665 0.280 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.309 3.001 2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.728 2.356 3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.531 3.495 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.710 3.888 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.267 2.009 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.908 1.849 1.307 1.00 0.00 H new ATOM 545 N LEU A 35 7.496 1.175 1.307 1.00 0.00 N ATOM 546 CA LEU A 35 6.263 1.154 0.541 1.00 0.00 C ATOM 547 C LEU A 35 6.007 2.459 -0.213 1.00 0.00 C ATOM 548 O LEU A 35 5.437 2.462 -1.304 1.00 0.00 O ATOM 549 CB LEU A 35 5.034 0.847 1.446 1.00 0.00 C ATOM 550 CG LEU A 35 4.951 -0.576 2.062 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.093 -1.686 1.008 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.912 -0.814 3.238 1.00 0.00 C ATOM 0 H LEU A 35 7.351 1.244 2.314 1.00 0.00 H new ATOM 0 HA LEU A 35 6.391 0.356 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.024 1.570 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.131 1.016 0.860 1.00 0.00 H new ATOM 0 HG LEU A 35 3.944 -0.628 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.028 -2.660 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.294 -1.593 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.058 -1.593 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.789 -1.832 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.939 -0.672 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.690 -0.108 4.038 1.00 0.00 H new ATOM 564 N ARG A 36 6.434 3.605 0.355 1.00 0.00 N ATOM 565 CA ARG A 36 6.143 4.958 -0.096 1.00 0.00 C ATOM 566 C ARG A 36 6.322 5.272 -1.585 1.00 0.00 C ATOM 567 O ARG A 36 5.486 5.949 -2.190 1.00 0.00 O ATOM 568 CB ARG A 36 6.895 6.006 0.771 1.00 0.00 C ATOM 569 CG ARG A 36 6.193 7.377 0.718 1.00 0.00 C ATOM 570 CD ARG A 36 6.476 8.348 1.875 1.00 0.00 C ATOM 571 NE ARG A 36 5.225 9.154 2.034 1.00 0.00 N ATOM 572 CZ ARG A 36 5.044 10.178 2.875 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.035 10.724 3.563 1.00 0.00 N ATOM 574 NH2 ARG A 36 3.816 10.655 3.027 1.00 0.00 N ATOM 0 H ARG A 36 7.024 3.598 1.187 1.00 0.00 H new ATOM 0 HA ARG A 36 5.064 5.026 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.945 5.660 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.921 6.106 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.476 7.867 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.117 7.206 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.714 7.808 2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.330 8.988 1.651 1.00 0.00 H new ATOM 0 HE ARG A 36 4.434 8.897 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.984 10.364 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.849 11.504 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.041 10.241 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.647 11.436 3.662 1.00 0.00 H new ATOM 588 N LYS A 37 7.397 4.766 -2.228 1.00 0.00 N ATOM 589 CA LYS A 37 7.640 4.962 -3.652 1.00 0.00 C ATOM 590 C LYS A 37 6.649 4.198 -4.538 1.00 0.00 C ATOM 591 O LYS A 37 6.248 4.680 -5.593 1.00 0.00 O ATOM 592 CB LYS A 37 9.107 4.617 -4.021 1.00 0.00 C ATOM 593 CG LYS A 37 9.553 4.842 -5.490 1.00 0.00 C ATOM 594 CD LYS A 37 9.576 6.305 -5.998 1.00 0.00 C ATOM 595 CE LYS A 37 8.256 6.783 -6.622 1.00 0.00 C ATOM 596 NZ LYS A 37 8.348 8.152 -7.150 1.00 0.00 N ATOM 0 H LYS A 37 8.115 4.211 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 37 7.476 6.021 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.762 5.205 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.277 3.569 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.553 4.426 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.890 4.268 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.828 6.962 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.371 6.407 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.971 6.105 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.466 6.738 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.433 8.428 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.593 8.806 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.083 8.192 -7.885 1.00 0.00 H new ATOM 610 N LEU A 38 6.163 3.012 -4.124 1.00 0.00 N ATOM 611 CA LEU A 38 5.102 2.324 -4.851 1.00 0.00 C ATOM 612 C LEU A 38 3.778 3.057 -4.685 1.00 0.00 C ATOM 613 O LEU A 38 3.112 3.394 -5.664 1.00 0.00 O ATOM 614 CB LEU A 38 4.994 0.839 -4.423 1.00 0.00 C ATOM 615 CG LEU A 38 4.112 -0.052 -5.332 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.565 -1.517 -5.238 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.608 0.023 -5.016 1.00 0.00 C ATOM 0 H LEU A 38 6.492 2.520 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 38 5.356 2.330 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.997 0.414 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.597 0.799 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 38 4.246 0.338 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.938 -2.134 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.604 -1.598 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.476 -1.860 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.060 -0.629 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.436 -0.298 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.261 1.049 -5.139 1.00 0.00 H new ATOM 629 N MET A 39 3.406 3.381 -3.428 1.00 0.00 N ATOM 630 CA MET A 39 2.207 4.127 -3.070 1.00 0.00 C ATOM 631 C MET A 39 2.032 5.424 -3.850 1.00 0.00 C ATOM 632 O MET A 39 1.047 5.622 -4.557 1.00 0.00 O ATOM 633 CB MET A 39 2.208 4.466 -1.556 1.00 0.00 C ATOM 634 CG MET A 39 2.145 3.232 -0.632 1.00 0.00 C ATOM 635 SD MET A 39 0.588 2.297 -0.711 1.00 0.00 S ATOM 636 CE MET A 39 -0.424 3.525 0.166 1.00 0.00 C ATOM 0 H MET A 39 3.961 3.115 -2.614 1.00 0.00 H new ATOM 0 HA MET A 39 1.374 3.472 -3.326 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.108 5.035 -1.323 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.357 5.112 -1.339 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.967 2.563 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.305 3.557 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.035 3.024 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.226 4.251 0.654 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.071 4.038 -0.545 1.00 0.00 H new ATOM 646 N ASN A 40 3.012 6.342 -3.781 1.00 0.00 N ATOM 647 CA ASN A 40 2.908 7.638 -4.436 1.00 0.00 C ATOM 648 C ASN A 40 3.229 7.588 -5.927 1.00 0.00 C ATOM 649 O ASN A 40 3.036 8.569 -6.639 1.00 0.00 O ATOM 650 CB ASN A 40 3.756 8.719 -3.723 1.00 0.00 C ATOM 651 CG ASN A 40 3.175 8.956 -2.333 1.00 0.00 C ATOM 652 OD1 ASN A 40 2.271 9.773 -2.139 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.683 8.196 -1.338 1.00 0.00 N ATOM 0 H ASN A 40 3.885 6.200 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 40 1.859 7.922 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.795 8.397 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.750 9.645 -4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.319 8.288 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.430 7.531 -1.535 1.00 0.00 H new ATOM 660 N ALA A 41 3.677 6.440 -6.471 1.00 0.00 N ATOM 661 CA ALA A 41 3.687 6.217 -7.908 1.00 0.00 C ATOM 662 C ALA A 41 2.283 5.897 -8.404 1.00 0.00 C ATOM 663 O ALA A 41 1.785 6.502 -9.350 1.00 0.00 O ATOM 664 CB ALA A 41 4.644 5.066 -8.275 1.00 0.00 C ATOM 0 H ALA A 41 4.036 5.657 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 41 4.037 7.130 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.636 4.916 -9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.654 5.315 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.320 4.151 -7.779 1.00 0.00 H new ATOM 670 N TYR A 42 1.595 4.952 -7.732 1.00 0.00 N ATOM 671 CA TYR A 42 0.217 4.575 -8.009 1.00 0.00 C ATOM 672 C TYR A 42 -0.752 5.742 -7.848 1.00 0.00 C ATOM 673 O TYR A 42 -1.479 6.111 -8.770 1.00 0.00 O ATOM 674 CB TYR A 42 -0.201 3.404 -7.070 1.00 0.00 C ATOM 675 CG TYR A 42 -0.637 2.214 -7.876 1.00 0.00 C ATOM 676 CD1 TYR A 42 -1.941 2.143 -8.391 1.00 0.00 C ATOM 677 CD2 TYR A 42 0.262 1.168 -8.138 1.00 0.00 C ATOM 678 CE1 TYR A 42 -2.341 1.041 -9.161 1.00 0.00 C ATOM 679 CE2 TYR A 42 -0.136 0.067 -8.910 1.00 0.00 C ATOM 680 CZ TYR A 42 -1.435 0.006 -9.423 1.00 0.00 C ATOM 681 OH TYR A 42 -1.813 -1.099 -10.208 1.00 0.00 O ATOM 0 H TYR A 42 2.005 4.422 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 42 0.167 4.259 -9.051 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.635 3.129 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.012 3.725 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.640 2.942 -8.193 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.266 1.212 -7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.347 0.991 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.561 -0.734 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.058 -1.718 -10.286 1.00 0.00 H new ATOM 691 N CYS A 43 -0.746 6.375 -6.658 1.00 0.00 N ATOM 692 CA CYS A 43 -1.605 7.493 -6.306 1.00 0.00 C ATOM 693 C CYS A 43 -1.466 8.705 -7.214 1.00 0.00 C ATOM 694 O CYS A 43 -2.450 9.168 -7.785 1.00 0.00 O ATOM 695 CB CYS A 43 -1.372 7.916 -4.831 1.00 0.00 C ATOM 696 SG CYS A 43 -1.978 6.645 -3.670 1.00 0.00 S ATOM 0 H CYS A 43 -0.119 6.104 -5.901 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.622 7.126 -6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.309 8.087 -4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.881 8.860 -4.637 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.875 7.086 -2.451 1.00 0.00 H new ATOM 702 N ASP A 44 -0.248 9.252 -7.400 1.00 0.00 N ATOM 703 CA ASP A 44 -0.058 10.476 -8.165 1.00 0.00 C ATOM 704 C ASP A 44 -0.291 10.303 -9.666 1.00 0.00 C ATOM 705 O ASP A 44 -0.738 11.231 -10.332 1.00 0.00 O ATOM 706 CB ASP A 44 1.331 11.109 -7.882 1.00 0.00 C ATOM 707 CG ASP A 44 1.427 11.681 -6.483 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.433 11.632 -5.710 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.489 12.272 -6.156 1.00 0.00 O ATOM 0 H ASP A 44 0.614 8.855 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.829 11.164 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.106 10.355 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.523 11.898 -8.609 1.00 0.00 H new ATOM 714 N ARG A 45 -0.062 9.102 -10.241 1.00 0.00 N ATOM 715 CA ARG A 45 -0.474 8.808 -11.608 1.00 0.00 C ATOM 716 C ARG A 45 -1.990 8.777 -11.775 1.00 0.00 C ATOM 717 O ARG A 45 -2.538 9.358 -12.711 1.00 0.00 O ATOM 718 CB ARG A 45 0.063 7.436 -12.069 1.00 0.00 C ATOM 719 CG ARG A 45 1.555 7.425 -12.445 1.00 0.00 C ATOM 720 CD ARG A 45 1.972 6.016 -12.862 1.00 0.00 C ATOM 721 NE ARG A 45 3.373 6.059 -13.369 1.00 0.00 N ATOM 722 CZ ARG A 45 3.947 5.016 -13.972 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.304 3.881 -14.186 1.00 0.00 N ATOM 724 NH2 ARG A 45 5.205 5.110 -14.383 1.00 0.00 N ATOM 0 H ARG A 45 0.407 8.328 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.060 9.615 -12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.103 6.710 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.517 7.104 -12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.739 8.125 -13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.156 7.756 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.898 5.334 -12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.303 5.638 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 45 3.912 6.917 -13.251 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.334 3.780 -13.887 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.778 3.106 -14.650 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.726 5.975 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.651 4.317 -14.845 1.00 0.00 H new ATOM 738 N ALA A 46 -2.705 8.081 -10.871 1.00 0.00 N ATOM 739 CA ALA A 46 -4.151 7.994 -10.891 1.00 0.00 C ATOM 740 C ALA A 46 -4.833 9.339 -10.642 1.00 0.00 C ATOM 741 O ALA A 46 -5.699 9.765 -11.401 1.00 0.00 O ATOM 742 CB ALA A 46 -4.605 6.962 -9.839 1.00 0.00 C ATOM 0 H ALA A 46 -2.277 7.563 -10.104 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.451 7.679 -11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.693 6.889 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.175 5.989 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.269 7.278 -8.851 1.00 0.00 H new ATOM 748 N GLY A 47 -4.435 10.043 -9.566 1.00 0.00 N ATOM 749 CA GLY A 47 -4.972 11.352 -9.216 1.00 0.00 C ATOM 750 C GLY A 47 -5.465 11.388 -7.801 1.00 0.00 C ATOM 751 O GLY A 47 -5.478 12.430 -7.147 1.00 0.00 O ATOM 0 H GLY A 47 -3.725 9.708 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.201 12.110 -9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.789 11.603 -9.893 1.00 0.00 H new ATOM 755 N LEU A 48 -5.900 10.231 -7.285 1.00 0.00 N ATOM 756 CA LEU A 48 -6.363 10.052 -5.926 1.00 0.00 C ATOM 757 C LEU A 48 -5.222 9.949 -4.911 1.00 0.00 C ATOM 758 O LEU A 48 -4.046 9.843 -5.251 1.00 0.00 O ATOM 759 CB LEU A 48 -7.328 8.836 -5.850 1.00 0.00 C ATOM 760 CG LEU A 48 -6.875 7.525 -6.541 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.638 6.880 -5.903 1.00 0.00 C ATOM 762 CD2 LEU A 48 -8.034 6.516 -6.548 1.00 0.00 C ATOM 0 H LEU A 48 -5.936 9.371 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.913 10.950 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.512 8.617 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.282 9.135 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.590 7.799 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.384 5.968 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.800 7.575 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.850 6.638 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.712 5.595 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.334 6.299 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.880 6.937 -7.092 1.00 0.00 H new ATOM 774 N SER A 49 -5.534 9.995 -3.606 1.00 0.00 N ATOM 775 CA SER A 49 -4.522 9.887 -2.566 1.00 0.00 C ATOM 776 C SER A 49 -5.131 9.336 -1.294 1.00 0.00 C ATOM 777 O SER A 49 -6.293 8.934 -1.256 1.00 0.00 O ATOM 778 CB SER A 49 -3.800 11.236 -2.264 1.00 0.00 C ATOM 779 OG SER A 49 -4.639 12.178 -1.585 1.00 0.00 O ATOM 0 H SER A 49 -6.485 10.107 -3.254 1.00 0.00 H new ATOM 0 HA SER A 49 -3.765 9.201 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.916 11.041 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.454 11.674 -3.200 1.00 0.00 H new ATOM 0 HG SER A 49 -4.137 13.003 -1.419 1.00 0.00 H new ATOM 785 N MET A 50 -4.368 9.331 -0.185 1.00 0.00 N ATOM 786 CA MET A 50 -4.770 8.808 1.111 1.00 0.00 C ATOM 787 C MET A 50 -5.787 9.711 1.811 1.00 0.00 C ATOM 788 O MET A 50 -6.443 9.340 2.784 1.00 0.00 O ATOM 789 CB MET A 50 -3.515 8.603 1.996 1.00 0.00 C ATOM 790 CG MET A 50 -2.681 7.339 1.665 1.00 0.00 C ATOM 791 SD MET A 50 -2.078 7.131 -0.047 1.00 0.00 S ATOM 792 CE MET A 50 -0.860 8.475 -0.046 1.00 0.00 C ATOM 0 H MET A 50 -3.420 9.708 -0.179 1.00 0.00 H new ATOM 0 HA MET A 50 -5.264 7.850 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.874 9.479 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.828 8.551 3.039 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.815 7.328 2.327 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.285 6.466 1.914 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.155 9.234 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.812 8.922 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.119 8.079 -0.313 1.00 0.00 H new ATOM 802 N GLN A 51 -6.007 10.925 1.269 1.00 0.00 N ATOM 803 CA GLN A 51 -7.098 11.792 1.661 1.00 0.00 C ATOM 804 C GLN A 51 -8.462 11.244 1.249 1.00 0.00 C ATOM 805 O GLN A 51 -9.475 11.554 1.873 1.00 0.00 O ATOM 806 CB GLN A 51 -6.919 13.201 1.048 1.00 0.00 C ATOM 807 CG GLN A 51 -5.592 13.871 1.472 1.00 0.00 C ATOM 808 CD GLN A 51 -5.494 15.298 0.945 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.808 15.591 -0.217 1.00 0.00 O ATOM 810 NE2 GLN A 51 -5.036 16.232 1.800 1.00 0.00 N ATOM 0 H GLN A 51 -5.416 11.321 0.539 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.070 11.847 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.953 13.127 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.754 13.833 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.518 13.878 2.559 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.752 13.285 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.783 15.971 2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.942 17.201 1.495 1.00 0.00 H new ATOM 819 N VAL A 52 -8.514 10.412 0.189 1.00 0.00 N ATOM 820 CA VAL A 52 -9.746 9.838 -0.336 1.00 0.00 C ATOM 821 C VAL A 52 -9.773 8.312 -0.281 1.00 0.00 C ATOM 822 O VAL A 52 -10.837 7.714 -0.123 1.00 0.00 O ATOM 823 CB VAL A 52 -10.068 10.346 -1.739 1.00 0.00 C ATOM 824 CG1 VAL A 52 -10.319 11.865 -1.664 1.00 0.00 C ATOM 825 CG2 VAL A 52 -8.937 10.061 -2.742 1.00 0.00 C ATOM 0 H VAL A 52 -7.683 10.123 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.534 10.186 0.332 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.953 9.818 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.551 12.245 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.157 12.063 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.427 12.363 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.217 10.442 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.023 10.552 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.769 8.986 -2.805 1.00 0.00 H new ATOM 835 N VAL A 53 -8.614 7.626 -0.383 1.00 0.00 N ATOM 836 CA VAL A 53 -8.494 6.177 -0.240 1.00 0.00 C ATOM 837 C VAL A 53 -8.162 5.826 1.209 1.00 0.00 C ATOM 838 O VAL A 53 -7.360 6.492 1.862 1.00 0.00 O ATOM 839 CB VAL A 53 -7.439 5.595 -1.179 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.454 4.057 -1.128 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.729 6.050 -2.622 1.00 0.00 C ATOM 0 H VAL A 53 -7.722 8.084 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.452 5.735 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.459 5.951 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.695 3.663 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.242 3.725 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.435 3.692 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.976 5.635 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.716 5.699 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.700 7.138 -2.673 1.00 0.00 H new ATOM 851 N ARG A 54 -8.823 4.809 1.799 1.00 0.00 N ATOM 852 CA ARG A 54 -8.741 4.535 3.229 1.00 0.00 C ATOM 853 C ARG A 54 -8.138 3.158 3.477 1.00 0.00 C ATOM 854 O ARG A 54 -8.846 2.158 3.561 1.00 0.00 O ATOM 855 CB ARG A 54 -10.149 4.573 3.882 1.00 0.00 C ATOM 856 CG ARG A 54 -10.770 5.958 4.181 1.00 0.00 C ATOM 857 CD ARG A 54 -10.857 6.952 3.014 1.00 0.00 C ATOM 858 NE ARG A 54 -9.750 7.952 3.194 1.00 0.00 N ATOM 859 CZ ARG A 54 -9.859 9.004 4.014 1.00 0.00 C ATOM 860 NH1 ARG A 54 -11.022 9.330 4.567 1.00 0.00 N ATOM 861 NH2 ARG A 54 -8.773 9.712 4.298 1.00 0.00 N ATOM 0 H ARG A 54 -9.425 4.162 1.290 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.109 5.305 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.835 4.032 3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.098 4.020 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.777 5.801 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.191 6.423 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.756 6.434 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.827 7.450 3.005 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.883 7.824 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.854 8.774 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.083 10.136 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.874 9.451 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.838 10.517 4.921 1.00 0.00 H new ATOM 875 N PHE A 55 -6.803 3.078 3.619 1.00 0.00 N ATOM 876 CA PHE A 55 -6.081 1.837 3.861 1.00 0.00 C ATOM 877 C PHE A 55 -6.079 1.442 5.339 1.00 0.00 C ATOM 878 O PHE A 55 -5.797 2.264 6.215 1.00 0.00 O ATOM 879 CB PHE A 55 -4.585 1.968 3.445 1.00 0.00 C ATOM 880 CG PHE A 55 -4.411 2.307 1.988 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.417 3.644 1.549 1.00 0.00 C ATOM 882 CD2 PHE A 55 -4.184 1.290 1.048 1.00 0.00 C ATOM 883 CE1 PHE A 55 -4.231 3.952 0.195 1.00 0.00 C ATOM 884 CE2 PHE A 55 -4.001 1.592 -0.308 1.00 0.00 C ATOM 885 CZ PHE A 55 -4.030 2.924 -0.735 1.00 0.00 C ATOM 0 H PHE A 55 -6.194 3.894 3.566 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.599 1.083 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.110 2.739 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.070 1.032 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.566 4.441 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.150 0.261 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.243 4.981 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.838 0.798 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.898 3.159 -1.781 1.00 0.00 H new ATOM 895 N ARG A 56 -6.374 0.171 5.675 1.00 0.00 N ATOM 896 CA ARG A 56 -6.053 -0.415 6.970 1.00 0.00 C ATOM 897 C ARG A 56 -5.183 -1.646 6.726 1.00 0.00 C ATOM 898 O ARG A 56 -5.314 -2.321 5.710 1.00 0.00 O ATOM 899 CB ARG A 56 -7.278 -0.872 7.826 1.00 0.00 C ATOM 900 CG ARG A 56 -8.630 -0.144 7.642 1.00 0.00 C ATOM 901 CD ARG A 56 -8.860 1.077 8.532 1.00 0.00 C ATOM 902 NE ARG A 56 -7.913 2.122 8.059 1.00 0.00 N ATOM 903 CZ ARG A 56 -7.788 3.331 8.604 1.00 0.00 C ATOM 904 NH1 ARG A 56 -8.638 3.814 9.495 1.00 0.00 N ATOM 905 NH2 ARG A 56 -6.781 4.106 8.220 1.00 0.00 N ATOM 0 H ARG A 56 -6.846 -0.475 5.042 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.561 0.375 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.444 -1.931 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.997 -0.786 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.713 0.169 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.433 -0.858 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.891 1.424 8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.680 0.834 9.579 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.318 1.897 7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.435 3.253 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.496 4.747 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.119 3.773 7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.669 5.035 8.626 1.00 0.00 H new ATOM 919 N PHE A 57 -4.282 -1.979 7.661 1.00 0.00 N ATOM 920 CA PHE A 57 -3.507 -3.201 7.642 1.00 0.00 C ATOM 921 C PHE A 57 -3.868 -3.963 8.904 1.00 0.00 C ATOM 922 O PHE A 57 -3.524 -3.530 10.003 1.00 0.00 O ATOM 923 CB PHE A 57 -1.998 -2.859 7.611 1.00 0.00 C ATOM 924 CG PHE A 57 -1.137 -4.078 7.444 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.938 -4.630 6.170 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.531 -4.688 8.556 1.00 0.00 C ATOM 927 CE1 PHE A 57 -0.154 -5.780 6.010 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.253 -5.841 8.399 1.00 0.00 C ATOM 929 CZ PHE A 57 0.435 -6.387 7.123 1.00 0.00 C ATOM 0 H PHE A 57 -4.076 -1.385 8.464 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.723 -3.804 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.802 -2.165 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.725 -2.349 8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.392 -4.166 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.670 -4.265 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.004 -6.198 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.714 -6.305 9.259 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.031 -7.279 6.998 1.00 0.00 H new ATOM 939 N ASP A 58 -4.620 -5.083 8.778 1.00 0.00 N ATOM 940 CA ASP A 58 -5.102 -5.889 9.894 1.00 0.00 C ATOM 941 C ASP A 58 -5.857 -5.049 10.944 1.00 0.00 C ATOM 942 O ASP A 58 -5.590 -5.076 12.149 1.00 0.00 O ATOM 943 CB ASP A 58 -3.906 -6.712 10.454 1.00 0.00 C ATOM 944 CG ASP A 58 -4.312 -7.861 11.336 1.00 0.00 C ATOM 945 OD1 ASP A 58 -5.516 -8.180 11.477 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.400 -8.471 11.963 1.00 0.00 O ATOM 0 H ASP A 58 -4.908 -5.448 7.870 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.859 -6.595 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.321 -7.098 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.254 -6.046 11.019 1.00 0.00 H new ATOM 951 N GLY A 59 -6.801 -4.201 10.472 1.00 0.00 N ATOM 952 CA GLY A 59 -7.488 -3.217 11.298 1.00 0.00 C ATOM 953 C GLY A 59 -6.758 -1.905 11.496 1.00 0.00 C ATOM 954 O GLY A 59 -7.388 -0.863 11.666 1.00 0.00 O ATOM 0 H GLY A 59 -7.100 -4.192 9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.459 -3.008 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.677 -3.659 12.277 1.00 0.00 H new ATOM 958 N GLN A 60 -5.416 -1.901 11.519 1.00 0.00 N ATOM 959 CA GLN A 60 -4.611 -0.803 12.026 1.00 0.00 C ATOM 960 C GLN A 60 -4.110 0.170 10.946 1.00 0.00 C ATOM 961 O GLN A 60 -4.025 -0.192 9.771 1.00 0.00 O ATOM 962 CB GLN A 60 -3.413 -1.386 12.821 1.00 0.00 C ATOM 963 CG GLN A 60 -3.873 -2.411 13.891 1.00 0.00 C ATOM 964 CD GLN A 60 -2.730 -2.837 14.814 1.00 0.00 C ATOM 965 OE1 GLN A 60 -1.678 -3.300 14.389 1.00 0.00 O ATOM 966 NE2 GLN A 60 -2.947 -2.675 16.141 1.00 0.00 N ATOM 0 H GLN A 60 -4.858 -2.683 11.176 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.260 -0.208 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.720 -1.867 12.131 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.869 -0.575 13.305 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.676 -1.976 14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.284 -3.290 13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.831 -2.287 16.470 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.226 -2.941 16.812 1.00 0.00 H new ATOM 975 N PRO A 61 -3.774 1.422 11.247 1.00 0.00 N ATOM 976 CA PRO A 61 -3.107 2.313 10.299 1.00 0.00 C ATOM 977 C PRO A 61 -1.615 2.013 10.144 1.00 0.00 C ATOM 978 O PRO A 61 -0.832 2.278 11.054 1.00 0.00 O ATOM 979 CB PRO A 61 -3.351 3.715 10.888 1.00 0.00 C ATOM 980 CG PRO A 61 -3.477 3.483 12.399 1.00 0.00 C ATOM 981 CD PRO A 61 -4.115 2.098 12.503 1.00 0.00 C ATOM 0 HA PRO A 61 -3.499 2.199 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.527 4.391 10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.256 4.165 10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.505 3.514 12.891 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.097 4.246 12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.729 1.550 13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.195 2.171 12.630 1.00 0.00 H new ATOM 989 N ILE A 62 -1.173 1.489 8.987 1.00 0.00 N ATOM 990 CA ILE A 62 0.240 1.270 8.698 1.00 0.00 C ATOM 991 C ILE A 62 0.891 2.499 8.059 1.00 0.00 C ATOM 992 O ILE A 62 0.316 3.172 7.203 1.00 0.00 O ATOM 993 CB ILE A 62 0.440 0.014 7.850 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.930 -0.386 7.741 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.239 0.161 6.467 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.130 -1.797 7.177 1.00 0.00 C ATOM 0 H ILE A 62 -1.795 1.207 8.229 1.00 0.00 H new ATOM 0 HA ILE A 62 0.747 1.108 9.649 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.054 -0.811 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.448 0.331 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.390 -0.326 8.727 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.080 -0.747 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.308 0.323 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.193 1.011 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.196 -2.020 7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.639 -2.522 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.698 -1.854 6.178 1.00 0.00 H new ATOM 1008 N ASN A 63 2.121 2.852 8.480 1.00 0.00 N ATOM 1009 CA ASN A 63 2.840 4.009 7.973 1.00 0.00 C ATOM 1010 C ASN A 63 3.654 3.671 6.726 1.00 0.00 C ATOM 1011 O ASN A 63 4.578 2.862 6.752 1.00 0.00 O ATOM 1012 CB ASN A 63 3.789 4.590 9.054 1.00 0.00 C ATOM 1013 CG ASN A 63 2.972 5.265 10.146 1.00 0.00 C ATOM 1014 OD1 ASN A 63 2.698 6.468 10.054 1.00 0.00 O ATOM 1015 ND2 ASN A 63 2.566 4.515 11.189 1.00 0.00 N ATOM 0 H ASN A 63 2.637 2.330 9.188 1.00 0.00 H new ATOM 0 HA ASN A 63 2.088 4.752 7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.398 3.794 9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.474 5.308 8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.014 4.937 11.936 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.811 3.526 11.232 1.00 0.00 H new ATOM 1022 N GLU A 64 3.352 4.325 5.583 1.00 0.00 N ATOM 1023 CA GLU A 64 3.943 4.030 4.282 1.00 0.00 C ATOM 1024 C GLU A 64 5.452 4.260 4.152 1.00 0.00 C ATOM 1025 O GLU A 64 6.106 3.757 3.241 1.00 0.00 O ATOM 1026 CB GLU A 64 3.196 4.824 3.177 1.00 0.00 C ATOM 1027 CG GLU A 64 3.301 6.366 3.303 1.00 0.00 C ATOM 1028 CD GLU A 64 2.432 7.083 2.282 1.00 0.00 C ATOM 1029 OE1 GLU A 64 1.187 6.984 2.389 1.00 0.00 O ATOM 1030 OE2 GLU A 64 2.987 7.791 1.398 1.00 0.00 O ATOM 0 H GLU A 64 2.675 5.087 5.551 1.00 0.00 H new ATOM 0 HA GLU A 64 3.820 2.953 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.589 4.525 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.143 4.543 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.004 6.668 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.339 6.670 3.172 1.00 0.00 H new ATOM 1037 N ASN A 65 6.061 5.006 5.092 1.00 0.00 N ATOM 1038 CA ASN A 65 7.497 5.201 5.197 1.00 0.00 C ATOM 1039 C ASN A 65 8.260 3.938 5.627 1.00 0.00 C ATOM 1040 O ASN A 65 9.463 3.829 5.378 1.00 0.00 O ATOM 1041 CB ASN A 65 7.734 6.366 6.206 1.00 0.00 C ATOM 1042 CG ASN A 65 9.202 6.685 6.470 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.707 6.529 7.589 1.00 0.00 O ATOM 1044 ND2 ASN A 65 9.926 7.147 5.434 1.00 0.00 N ATOM 0 H ASN A 65 5.540 5.500 5.817 1.00 0.00 H new ATOM 0 HA ASN A 65 7.890 5.442 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.243 7.263 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.254 6.114 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.912 7.376 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.489 7.268 4.520 1.00 0.00 H new ATOM 1051 N ASP A 66 7.599 2.973 6.300 1.00 0.00 N ATOM 1052 CA ASP A 66 8.279 1.844 6.899 1.00 0.00 C ATOM 1053 C ASP A 66 8.744 0.793 5.882 1.00 0.00 C ATOM 1054 O ASP A 66 8.391 0.810 4.701 1.00 0.00 O ATOM 1055 CB ASP A 66 7.382 1.228 8.015 1.00 0.00 C ATOM 1056 CG ASP A 66 8.193 0.596 9.126 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.448 0.608 9.055 1.00 0.00 O ATOM 1058 OD2 ASP A 66 7.588 0.153 10.134 1.00 0.00 O ATOM 0 H ASP A 66 6.588 2.969 6.434 1.00 0.00 H new ATOM 0 HA ASP A 66 9.200 2.217 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.742 2.005 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.725 0.477 7.576 1.00 0.00 H new ATOM 1063 N THR A 67 9.599 -0.139 6.333 1.00 0.00 N ATOM 1064 CA THR A 67 10.200 -1.170 5.498 1.00 0.00 C ATOM 1065 C THR A 67 9.792 -2.554 5.969 1.00 0.00 C ATOM 1066 O THR A 67 9.619 -2.777 7.170 1.00 0.00 O ATOM 1067 CB THR A 67 11.730 -1.126 5.442 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.334 -1.243 6.723 1.00 0.00 O ATOM 1069 CG2 THR A 67 12.178 0.216 4.855 1.00 0.00 C ATOM 0 H THR A 67 9.892 -0.191 7.309 1.00 0.00 H new ATOM 0 HA THR A 67 9.824 -0.963 4.496 1.00 0.00 H new ATOM 0 HB THR A 67 12.041 -1.972 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.309 -1.211 6.629 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.267 0.250 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.773 0.326 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.813 1.028 5.484 1.00 0.00 H new ATOM 1077 N PRO A 68 9.654 -3.566 5.110 1.00 0.00 N ATOM 1078 CA PRO A 68 9.209 -4.884 5.552 1.00 0.00 C ATOM 1079 C PRO A 68 10.288 -5.646 6.305 1.00 0.00 C ATOM 1080 O PRO A 68 9.984 -6.707 6.841 1.00 0.00 O ATOM 1081 CB PRO A 68 8.789 -5.585 4.248 1.00 0.00 C ATOM 1082 CG PRO A 68 9.628 -4.907 3.165 1.00 0.00 C ATOM 1083 CD PRO A 68 9.710 -3.461 3.647 1.00 0.00 C ATOM 0 HA PRO A 68 8.393 -4.825 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.986 -6.656 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.722 -5.465 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.616 -5.360 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.156 -4.979 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.632 -2.983 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.885 -2.864 3.259 1.00 0.00 H new ATOM 1091 N THR A 69 11.535 -5.136 6.412 1.00 0.00 N ATOM 1092 CA THR A 69 12.555 -5.692 7.307 1.00 0.00 C ATOM 1093 C THR A 69 12.373 -5.206 8.732 1.00 0.00 C ATOM 1094 O THR A 69 12.863 -5.814 9.678 1.00 0.00 O ATOM 1095 CB THR A 69 14.010 -5.405 6.910 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.367 -4.028 7.016 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.235 -5.828 5.453 1.00 0.00 C ATOM 0 H THR A 69 11.855 -4.328 5.878 1.00 0.00 H new ATOM 0 HA THR A 69 12.395 -6.767 7.221 1.00 0.00 H new ATOM 0 HB THR A 69 14.630 -5.971 7.605 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.303 -3.912 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.268 -5.624 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.033 -6.894 5.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.564 -5.266 4.803 1.00 0.00 H new ATOM 1105 N SER A 70 11.669 -4.075 8.920 1.00 0.00 N ATOM 1106 CA SER A 70 11.373 -3.508 10.230 1.00 0.00 C ATOM 1107 C SER A 70 10.157 -4.195 10.817 1.00 0.00 C ATOM 1108 O SER A 70 10.104 -4.556 11.991 1.00 0.00 O ATOM 1109 CB SER A 70 11.093 -1.985 10.153 1.00 0.00 C ATOM 1110 OG SER A 70 12.177 -1.306 9.515 1.00 0.00 O ATOM 0 H SER A 70 11.288 -3.528 8.148 1.00 0.00 H new ATOM 0 HA SER A 70 12.249 -3.665 10.860 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.170 -1.807 9.601 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.947 -1.585 11.157 1.00 0.00 H new ATOM 0 HG SER A 70 12.091 -1.394 8.543 1.00 0.00 H new ATOM 1116 N LEU A 71 9.146 -4.425 9.966 1.00 0.00 N ATOM 1117 CA LEU A 71 7.925 -5.140 10.288 1.00 0.00 C ATOM 1118 C LEU A 71 8.134 -6.655 10.408 1.00 0.00 C ATOM 1119 O LEU A 71 7.803 -7.258 11.429 1.00 0.00 O ATOM 1120 CB LEU A 71 6.879 -4.821 9.194 1.00 0.00 C ATOM 1121 CG LEU A 71 6.547 -3.317 9.056 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.861 -3.027 7.714 1.00 0.00 C ATOM 1123 CD2 LEU A 71 5.675 -2.819 10.219 1.00 0.00 C ATOM 0 H LEU A 71 9.168 -4.101 8.999 1.00 0.00 H new ATOM 0 HA LEU A 71 7.578 -4.808 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.247 -5.190 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.961 -5.366 9.414 1.00 0.00 H new ATOM 0 HG LEU A 71 7.492 -2.774 9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.638 -1.962 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.523 -3.315 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.934 -3.597 7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.463 -1.758 10.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.739 -3.377 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.204 -2.968 11.160 1.00 0.00 H new ATOM 1135 N GLU A 72 8.720 -7.278 9.362 1.00 0.00 N ATOM 1136 CA GLU A 72 9.023 -8.699 9.245 1.00 0.00 C ATOM 1137 C GLU A 72 7.822 -9.584 8.917 1.00 0.00 C ATOM 1138 O GLU A 72 7.385 -10.416 9.709 1.00 0.00 O ATOM 1139 CB GLU A 72 9.952 -9.265 10.362 1.00 0.00 C ATOM 1140 CG GLU A 72 11.322 -8.535 10.385 1.00 0.00 C ATOM 1141 CD GLU A 72 12.289 -9.013 11.448 1.00 0.00 C ATOM 1142 OE1 GLU A 72 12.033 -8.796 12.660 1.00 0.00 O ATOM 1143 OE2 GLU A 72 13.379 -9.540 11.098 1.00 0.00 O ATOM 0 H GLU A 72 9.007 -6.759 8.532 1.00 0.00 H new ATOM 0 HA GLU A 72 9.638 -8.749 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.465 -9.158 11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.109 -10.331 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.794 -8.650 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.145 -7.469 10.530 1.00 0.00 H new ATOM 1150 N MET A 73 7.297 -9.429 7.681 1.00 0.00 N ATOM 1151 CA MET A 73 6.325 -10.321 7.069 1.00 0.00 C ATOM 1152 C MET A 73 6.969 -11.049 5.889 1.00 0.00 C ATOM 1153 O MET A 73 8.133 -10.830 5.553 1.00 0.00 O ATOM 1154 CB MET A 73 5.044 -9.581 6.598 1.00 0.00 C ATOM 1155 CG MET A 73 4.044 -9.244 7.727 1.00 0.00 C ATOM 1156 SD MET A 73 4.468 -7.826 8.784 1.00 0.00 S ATOM 1157 CE MET A 73 4.146 -6.583 7.497 1.00 0.00 C ATOM 0 H MET A 73 7.556 -8.651 7.075 1.00 0.00 H new ATOM 0 HA MET A 73 6.017 -11.036 7.832 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.337 -8.656 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.538 -10.196 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.070 -9.055 7.276 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.936 -10.123 8.362 1.00 0.00 H new ATOM 0 HE1 MET A 73 3.916 -5.626 7.965 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.028 -6.476 6.866 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.300 -6.901 6.888 1.00 0.00 H new ATOM 1167 N GLU A 74 6.224 -11.972 5.245 1.00 0.00 N ATOM 1168 CA GLU A 74 6.732 -12.911 4.258 1.00 0.00 C ATOM 1169 C GLU A 74 6.453 -12.469 2.816 1.00 0.00 C ATOM 1170 O GLU A 74 7.027 -11.492 2.333 1.00 0.00 O ATOM 1171 CB GLU A 74 6.158 -14.307 4.611 1.00 0.00 C ATOM 1172 CG GLU A 74 6.885 -15.493 3.940 1.00 0.00 C ATOM 1173 CD GLU A 74 6.624 -16.782 4.694 1.00 0.00 C ATOM 1174 OE1 GLU A 74 5.455 -17.239 4.727 1.00 0.00 O ATOM 1175 OE2 GLU A 74 7.589 -17.361 5.257 1.00 0.00 O ATOM 0 H GLU A 74 5.223 -12.077 5.412 1.00 0.00 H new ATOM 0 HA GLU A 74 7.820 -12.951 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.199 -14.439 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.106 -14.335 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.548 -15.595 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.957 -15.297 3.907 1.00 0.00 H new ATOM 1182 N GLU A 75 5.567 -13.169 2.081 1.00 0.00 N ATOM 1183 CA GLU A 75 4.998 -12.698 0.832 1.00 0.00 C ATOM 1184 C GLU A 75 3.565 -13.177 0.773 1.00 0.00 C ATOM 1185 O GLU A 75 3.188 -14.119 1.466 1.00 0.00 O ATOM 1186 CB GLU A 75 5.719 -13.177 -0.460 1.00 0.00 C ATOM 1187 CG GLU A 75 5.723 -14.713 -0.693 1.00 0.00 C ATOM 1188 CD GLU A 75 5.895 -15.068 -2.159 1.00 0.00 C ATOM 1189 OE1 GLU A 75 4.943 -14.839 -2.954 1.00 0.00 O ATOM 1190 OE2 GLU A 75 6.970 -15.596 -2.538 1.00 0.00 O ATOM 0 H GLU A 75 5.230 -14.092 2.355 1.00 0.00 H new ATOM 0 HA GLU A 75 5.103 -11.613 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.247 -12.698 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.751 -12.829 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.529 -15.165 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.789 -15.137 -0.325 1.00 0.00 H new ATOM 1197 N GLY A 76 2.722 -12.534 -0.057 1.00 0.00 N ATOM 1198 CA GLY A 76 1.291 -12.805 -0.111 1.00 0.00 C ATOM 1199 C GLY A 76 0.581 -11.983 0.920 1.00 0.00 C ATOM 1200 O GLY A 76 -0.353 -12.449 1.567 1.00 0.00 O ATOM 0 H GLY A 76 3.026 -11.810 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.905 -12.573 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.105 -13.865 0.064 1.00 0.00 H new ATOM 1204 N ASP A 77 1.042 -10.736 1.106 1.00 0.00 N ATOM 1205 CA ASP A 77 0.607 -9.872 2.180 1.00 0.00 C ATOM 1206 C ASP A 77 -0.615 -9.057 1.751 1.00 0.00 C ATOM 1207 O ASP A 77 -0.940 -8.945 0.566 1.00 0.00 O ATOM 1208 CB ASP A 77 1.811 -9.014 2.646 1.00 0.00 C ATOM 1209 CG ASP A 77 1.704 -8.602 4.103 1.00 0.00 C ATOM 1210 OD1 ASP A 77 0.623 -8.821 4.706 1.00 0.00 O ATOM 1211 OD2 ASP A 77 2.718 -8.089 4.634 1.00 0.00 O ATOM 0 H ASP A 77 1.738 -10.306 0.497 1.00 0.00 H new ATOM 0 HA ASP A 77 0.275 -10.453 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.733 -9.577 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.879 -8.122 2.024 1.00 0.00 H new ATOM 1216 N THR A 78 -1.372 -8.520 2.719 1.00 0.00 N ATOM 1217 CA THR A 78 -2.749 -8.087 2.487 1.00 0.00 C ATOM 1218 C THR A 78 -3.049 -6.745 3.112 1.00 0.00 C ATOM 1219 O THR A 78 -2.755 -6.488 4.273 1.00 0.00 O ATOM 1220 CB THR A 78 -3.803 -9.090 2.972 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.684 -9.408 4.353 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.685 -10.413 2.202 1.00 0.00 C ATOM 0 H THR A 78 -1.047 -8.376 3.675 1.00 0.00 H new ATOM 0 HA THR A 78 -2.817 -8.012 1.402 1.00 0.00 H new ATOM 0 HB THR A 78 -4.762 -8.602 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.382 -10.049 4.603 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.441 -11.111 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.836 -10.230 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.694 -10.839 2.360 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.667 -5.824 2.347 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.098 -4.542 2.884 1.00 0.00 C ATOM 1232 C ILE A 79 -5.554 -4.305 2.495 1.00 0.00 C ATOM 1233 O ILE A 79 -5.966 -4.573 1.366 1.00 0.00 O ATOM 1234 CB ILE A 79 -3.130 -3.426 2.474 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.268 -2.172 3.363 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -3.231 -3.107 0.968 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.118 -1.174 3.187 1.00 0.00 C ATOM 0 H ILE A 79 -3.874 -5.955 1.357 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.065 -4.545 3.974 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.121 -3.800 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.210 -1.674 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.316 -2.479 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.530 -2.311 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.990 -3.999 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.245 -2.785 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.277 -0.316 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.175 -1.656 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.083 -0.839 2.150 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.401 -3.843 3.438 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.833 -3.677 3.231 1.00 0.00 C ATOM 1251 C GLU A 80 -8.154 -2.207 2.977 1.00 0.00 C ATOM 1252 O GLU A 80 -7.647 -1.305 3.644 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.672 -4.267 4.405 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.301 -3.705 5.799 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.049 -4.293 6.986 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.160 -4.859 6.824 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -8.509 -4.193 8.124 1.00 0.00 O ATOM 0 H GLU A 80 -6.094 -3.575 4.373 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.118 -4.248 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.727 -4.071 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.546 -5.350 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.234 -3.860 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.469 -2.628 5.789 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.967 -1.918 1.943 1.00 0.00 N ATOM 1265 CA VAL A 81 -9.191 -0.565 1.456 1.00 0.00 C ATOM 1266 C VAL A 81 -10.664 -0.200 1.413 1.00 0.00 C ATOM 1267 O VAL A 81 -11.488 -0.854 0.769 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.549 -0.352 0.088 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -9.004 0.956 -0.592 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.029 -0.307 0.291 1.00 0.00 C ATOM 0 H VAL A 81 -9.485 -2.629 1.426 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.711 0.102 2.172 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.854 -1.170 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.514 1.052 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.085 0.936 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.735 1.805 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.538 -0.155 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.776 0.514 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.692 -1.248 0.726 1.00 0.00 H new ATOM 1280 N TYR A 82 -11.011 0.915 2.087 1.00 0.00 N ATOM 1281 CA TYR A 82 -12.314 1.548 2.024 1.00 0.00 C ATOM 1282 C TYR A 82 -12.247 2.811 1.167 1.00 0.00 C ATOM 1283 O TYR A 82 -11.179 3.354 0.879 1.00 0.00 O ATOM 1284 CB TYR A 82 -12.840 1.917 3.438 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.151 0.680 4.227 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -12.153 0.017 4.965 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.460 0.173 4.241 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -12.463 -1.134 5.704 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -14.770 -0.982 4.972 1.00 0.00 C ATOM 1290 CZ TYR A 82 -13.771 -1.626 5.707 1.00 0.00 C ATOM 1291 OH TYR A 82 -14.093 -2.758 6.476 1.00 0.00 O ATOM 0 H TYR A 82 -10.362 1.403 2.705 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.003 0.832 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.094 2.513 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.735 2.533 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.142 0.397 4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.235 0.678 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.693 -1.639 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.777 -1.373 4.967 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.044 -2.968 6.367 1.00 0.00 H new ATOM 1301 N GLN A 83 -13.415 3.316 0.728 1.00 0.00 N ATOM 1302 CA GLN A 83 -13.519 4.473 -0.144 1.00 0.00 C ATOM 1303 C GLN A 83 -13.989 5.751 0.559 1.00 0.00 C ATOM 1304 O GLN A 83 -14.351 5.754 1.738 1.00 0.00 O ATOM 1305 CB GLN A 83 -14.480 4.133 -1.315 1.00 0.00 C ATOM 1306 CG GLN A 83 -15.954 3.893 -0.901 1.00 0.00 C ATOM 1307 CD GLN A 83 -16.788 3.487 -2.117 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -17.342 4.340 -2.811 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -16.853 2.168 -2.394 1.00 0.00 N ATOM 0 H GLN A 83 -14.319 2.917 0.980 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.512 4.687 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.449 4.947 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.110 3.242 -1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.003 3.113 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.366 4.799 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.378 1.496 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.377 1.843 -3.206 1.00 0.00 H new ATOM 1318 N GLN A 84 -13.994 6.873 -0.194 1.00 0.00 N ATOM 1319 CA GLN A 84 -14.742 8.082 0.116 1.00 0.00 C ATOM 1320 C GLN A 84 -15.143 8.722 -1.207 1.00 0.00 C ATOM 1321 O GLN A 84 -16.245 8.521 -1.706 1.00 0.00 O ATOM 1322 CB GLN A 84 -13.961 9.073 1.031 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.825 10.174 1.716 1.00 0.00 C ATOM 1324 CD GLN A 84 -15.303 11.323 0.814 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -16.479 11.445 0.462 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -14.373 12.228 0.446 1.00 0.00 N ATOM 0 H GLN A 84 -13.457 6.951 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.626 7.818 0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.452 8.500 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.189 9.560 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.701 9.697 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.248 10.600 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.404 12.114 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.638 13.026 -0.131 1.00 0.00 H new ATOM 1335 N GLN A 85 -14.231 9.486 -1.838 1.00 0.00 N ATOM 1336 CA GLN A 85 -14.440 10.139 -3.119 1.00 0.00 C ATOM 1337 C GLN A 85 -14.073 9.198 -4.269 1.00 0.00 C ATOM 1338 O GLN A 85 -13.184 8.360 -4.132 1.00 0.00 O ATOM 1339 CB GLN A 85 -13.544 11.406 -3.157 1.00 0.00 C ATOM 1340 CG GLN A 85 -13.690 12.362 -4.367 1.00 0.00 C ATOM 1341 CD GLN A 85 -12.631 13.465 -4.310 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -11.602 13.434 -4.989 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -12.869 14.499 -3.479 1.00 0.00 N ATOM 0 H GLN A 85 -13.305 9.663 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.489 10.410 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.739 11.981 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.504 11.082 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -13.589 11.800 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.686 12.806 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.722 14.518 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.196 15.262 -3.409 1.00 0.00 H new ATOM 1352 N THR A 86 -14.748 9.311 -5.437 1.00 0.00 N ATOM 1353 CA THR A 86 -14.380 8.585 -6.655 1.00 0.00 C ATOM 1354 C THR A 86 -13.508 9.461 -7.541 1.00 0.00 C ATOM 1355 O THR A 86 -13.453 10.679 -7.390 1.00 0.00 O ATOM 1356 CB THR A 86 -15.577 8.052 -7.453 1.00 0.00 C ATOM 1357 OG1 THR A 86 -15.162 7.197 -8.514 1.00 0.00 O ATOM 1358 CG2 THR A 86 -16.423 9.182 -8.063 1.00 0.00 C ATOM 0 H THR A 86 -15.564 9.912 -5.552 1.00 0.00 H new ATOM 0 HA THR A 86 -13.825 7.707 -6.326 1.00 0.00 H new ATOM 0 HB THR A 86 -16.179 7.495 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.949 6.874 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 86 -17.258 8.753 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.806 9.820 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.806 9.775 -8.738 1.00 0.00 H new ATOM 1366 N GLY A 87 -12.781 8.864 -8.506 1.00 0.00 N ATOM 1367 CA GLY A 87 -11.880 9.615 -9.365 1.00 0.00 C ATOM 1368 C GLY A 87 -11.057 8.711 -10.228 1.00 0.00 C ATOM 1369 O GLY A 87 -9.853 8.570 -10.035 1.00 0.00 O ATOM 0 H GLY A 87 -12.809 7.863 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.457 10.293 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.222 10.231 -8.752 1.00 0.00 H new ATOM 1373 N GLY A 88 -11.696 8.067 -11.216 1.00 0.00 N ATOM 1374 CA GLY A 88 -11.027 7.159 -12.126 1.00 0.00 C ATOM 1375 C GLY A 88 -12.020 6.629 -13.166 1.00 0.00 C ATOM 1376 O GLY A 88 -13.202 7.064 -13.192 1.00 0.00 O ATOM 1377 OXT GLY A 88 -11.617 5.763 -13.981 1.00 0.00 O ATOM 0 H GLY A 88 -12.695 8.170 -11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.205 7.672 -12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.593 6.328 -11.570 1.00 0.00 H new TER 1381 GLY A 88