USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 832 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 8 HIS : no HD1:sc= -1.55! C(o=-5.6!,f=-9.7!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 148:sc= -4.09! (180deg=-5.34!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -91:sc= -0.311 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 22 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.6) USER MOD Single : A 24 ASN : amide:sc= -2.8! C(o=-2.8!,f=-7.2!) USER MOD Single : A 26 ASN : amide:sc= -0.745 K(o=-0.75,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.013) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -2.51! (180deg=-3.55!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -30:sc= 0.814 USER MOD Single : A 42 GLN : amide:sc= -4.15! K(o=-4.2!,f=-2.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.0052) USER MOD Single : A 70 THR OG1 : rot 65:sc= -1.26! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -1.53! USER MOD Single : A 79 THR OG1 : rot 166:sc= -2.71! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.28! K(o=-2.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.267 1.336 -20.022 1.00 0.00 N ATOM 2 CA GLY A 1 8.478 2.806 -19.930 1.00 0.00 C ATOM 3 C GLY A 1 8.042 3.372 -18.592 1.00 0.00 C ATOM 4 O GLY A 1 7.129 4.195 -18.527 1.00 0.00 O ATOM 0 H1 GLY A 1 8.580 0.998 -20.954 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.816 0.859 -19.278 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.257 1.122 -19.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.533 3.029 -20.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.924 3.300 -20.728 1.00 0.00 H new ATOM 8 N SER A 2 8.698 2.927 -17.522 1.00 0.00 N ATOM 9 CA SER A 2 8.380 3.390 -16.175 1.00 0.00 C ATOM 10 C SER A 2 6.927 3.086 -15.818 1.00 0.00 C ATOM 11 O SER A 2 6.203 2.462 -16.594 1.00 0.00 O ATOM 12 CB SER A 2 8.645 4.892 -16.051 1.00 0.00 C ATOM 13 OG SER A 2 10.003 5.195 -16.317 1.00 0.00 O ATOM 0 H SER A 2 9.455 2.244 -17.563 1.00 0.00 H new ATOM 0 HA SER A 2 9.024 2.856 -15.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.005 5.436 -16.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.384 5.229 -15.048 1.00 0.00 H new ATOM 0 HG SER A 2 10.145 6.161 -16.233 1.00 0.00 H new ATOM 19 N TYR A 3 6.511 3.530 -14.636 1.00 0.00 N ATOM 20 CA TYR A 3 5.145 3.309 -14.172 1.00 0.00 C ATOM 21 C TYR A 3 4.778 4.305 -13.078 1.00 0.00 C ATOM 22 O TYR A 3 5.526 4.488 -12.117 1.00 0.00 O ATOM 23 CB TYR A 3 4.985 1.879 -13.650 1.00 0.00 C ATOM 24 CG TYR A 3 3.569 1.536 -13.246 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.646 1.093 -14.185 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.155 1.654 -11.925 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.351 0.775 -13.819 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.863 1.340 -11.551 1.00 0.00 C ATOM 29 CZ TYR A 3 0.965 0.900 -12.501 1.00 0.00 C ATOM 30 OH TYR A 3 -0.323 0.586 -12.132 1.00 0.00 O ATOM 0 H TYR A 3 7.100 4.045 -13.982 1.00 0.00 H new ATOM 0 HA TYR A 3 4.472 3.456 -15.016 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.313 1.181 -14.420 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.643 1.739 -12.792 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.945 0.995 -15.218 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.855 1.997 -11.178 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.646 0.431 -14.561 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.557 1.439 -10.520 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.431 0.728 -11.168 1.00 0.00 H new ATOM 40 N TRP A 4 3.623 4.946 -13.228 1.00 0.00 N ATOM 41 CA TRP A 4 3.165 5.921 -12.245 1.00 0.00 C ATOM 42 C TRP A 4 1.637 5.963 -12.189 1.00 0.00 C ATOM 43 O TRP A 4 0.995 6.523 -13.079 1.00 0.00 O ATOM 44 CB TRP A 4 3.713 7.309 -12.582 1.00 0.00 C ATOM 45 CG TRP A 4 3.455 8.324 -11.511 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.387 9.171 -11.420 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.283 8.601 -10.377 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.501 9.955 -10.298 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.657 9.623 -9.641 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.494 8.080 -9.912 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.202 10.136 -8.466 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.033 8.589 -8.745 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.388 9.608 -8.034 1.00 0.00 C ATOM 0 H TRP A 4 2.990 4.809 -14.016 1.00 0.00 H new ATOM 0 HA TRP A 4 3.538 5.617 -11.267 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.787 7.236 -12.753 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.265 7.653 -13.514 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.572 9.217 -12.127 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.834 10.668 -10.002 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.999 7.294 -10.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.706 10.922 -7.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.968 8.194 -8.376 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.836 9.985 -7.126 1.00 0.00 H new ATOM 64 N PRO A 5 1.030 5.363 -11.145 1.00 0.00 N ATOM 65 CA PRO A 5 -0.429 5.340 -10.985 1.00 0.00 C ATOM 66 C PRO A 5 -1.032 6.740 -10.939 1.00 0.00 C ATOM 67 O PRO A 5 -0.315 7.739 -11.007 1.00 0.00 O ATOM 68 CB PRO A 5 -0.640 4.627 -9.645 1.00 0.00 C ATOM 69 CG PRO A 5 0.612 3.854 -9.416 1.00 0.00 C ATOM 70 CD PRO A 5 1.714 4.658 -10.044 1.00 0.00 C ATOM 0 HA PRO A 5 -0.916 4.845 -11.825 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.815 5.342 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.509 3.969 -9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.792 3.710 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.547 2.863 -9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.159 5.355 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.518 4.021 -10.412 1.00 0.00 H new ATOM 78 N ALA A 6 -2.355 6.805 -10.820 1.00 0.00 N ATOM 79 CA ALA A 6 -3.053 8.084 -10.763 1.00 0.00 C ATOM 80 C ALA A 6 -3.058 8.647 -9.345 1.00 0.00 C ATOM 81 O ALA A 6 -2.402 8.111 -8.451 1.00 0.00 O ATOM 82 CB ALA A 6 -4.475 7.932 -11.281 1.00 0.00 C ATOM 0 H ALA A 6 -2.964 5.988 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.520 8.789 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.985 8.894 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.451 7.586 -12.314 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.010 7.207 -10.668 1.00 0.00 H new ATOM 88 N ARG A 7 -3.803 9.730 -9.148 1.00 0.00 N ATOM 89 CA ARG A 7 -3.894 10.373 -7.841 1.00 0.00 C ATOM 90 C ARG A 7 -4.809 9.585 -6.905 1.00 0.00 C ATOM 91 O ARG A 7 -5.981 9.364 -7.212 1.00 0.00 O ATOM 92 CB ARG A 7 -4.409 11.806 -8.000 1.00 0.00 C ATOM 93 CG ARG A 7 -4.455 12.588 -6.700 1.00 0.00 C ATOM 94 CD ARG A 7 -4.916 14.018 -6.927 1.00 0.00 C ATOM 95 NE ARG A 7 -4.933 14.794 -5.690 1.00 0.00 N ATOM 96 CZ ARG A 7 -5.090 16.114 -5.650 1.00 0.00 C ATOM 97 NH1 ARG A 7 -5.241 16.802 -6.773 1.00 0.00 N ATOM 98 NH2 ARG A 7 -5.096 16.746 -4.484 1.00 0.00 N ATOM 0 H ARG A 7 -4.354 10.182 -9.878 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.898 10.396 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.772 12.335 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.410 11.777 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.129 12.094 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.466 12.592 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.256 14.501 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.915 14.011 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.818 14.296 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.237 16.319 -7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.361 17.814 -6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.980 16.220 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.216 17.758 -4.453 1.00 0.00 H new ATOM 112 N HIS A 8 -4.263 9.165 -5.763 1.00 0.00 N ATOM 113 CA HIS A 8 -5.025 8.395 -4.781 1.00 0.00 C ATOM 114 C HIS A 8 -5.629 7.145 -5.415 1.00 0.00 C ATOM 115 O HIS A 8 -6.569 6.558 -4.879 1.00 0.00 O ATOM 116 CB HIS A 8 -6.132 9.256 -4.166 1.00 0.00 C ATOM 117 CG HIS A 8 -5.626 10.308 -3.228 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.327 10.055 -1.905 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.368 11.623 -3.424 1.00 0.00 C ATOM 120 CE1 HIS A 8 -4.908 11.168 -1.329 1.00 0.00 C ATOM 121 NE2 HIS A 8 -4.924 12.133 -2.229 1.00 0.00 N ATOM 0 H HIS A 8 -3.295 9.346 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.338 8.085 -3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.694 9.736 -4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.828 8.610 -3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.489 12.169 -4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.604 11.270 -0.298 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.651 13.102 -2.064 1.00 0.00 H new ATOM 130 N SER A 9 -5.078 6.738 -6.555 1.00 0.00 N ATOM 131 CA SER A 9 -5.563 5.557 -7.263 1.00 0.00 C ATOM 132 C SER A 9 -5.444 4.315 -6.387 1.00 0.00 C ATOM 133 O SER A 9 -4.751 4.324 -5.373 1.00 0.00 O ATOM 134 CB SER A 9 -4.783 5.356 -8.562 1.00 0.00 C ATOM 135 OG SER A 9 -3.405 5.156 -8.305 1.00 0.00 O ATOM 0 H SER A 9 -4.295 7.209 -7.009 1.00 0.00 H new ATOM 0 HA SER A 9 -6.615 5.714 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.184 4.497 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.913 6.226 -9.206 1.00 0.00 H new ATOM 0 HG SER A 9 -2.941 6.019 -8.320 1.00 0.00 H new ATOM 141 N GLY A 10 -6.122 3.245 -6.790 1.00 0.00 N ATOM 142 CA GLY A 10 -6.082 2.011 -6.026 1.00 0.00 C ATOM 143 C GLY A 10 -4.676 1.472 -5.854 1.00 0.00 C ATOM 144 O GLY A 10 -4.197 1.320 -4.730 1.00 0.00 O ATOM 0 H GLY A 10 -6.698 3.210 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.523 2.183 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.696 1.260 -6.524 1.00 0.00 H new ATOM 148 N ALA A 11 -4.012 1.184 -6.969 1.00 0.00 N ATOM 149 CA ALA A 11 -2.653 0.650 -6.935 1.00 0.00 C ATOM 150 C ALA A 11 -1.706 1.562 -6.157 1.00 0.00 C ATOM 151 O ALA A 11 -0.736 1.098 -5.557 1.00 0.00 O ATOM 152 CB ALA A 11 -2.141 0.430 -8.350 1.00 0.00 C ATOM 0 H ALA A 11 -4.392 1.311 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.684 -0.307 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.127 0.032 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.790 -0.278 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.139 1.378 -8.888 1.00 0.00 H new ATOM 158 N ARG A 12 -1.988 2.861 -6.170 1.00 0.00 N ATOM 159 CA ARG A 12 -1.154 3.823 -5.461 1.00 0.00 C ATOM 160 C ARG A 12 -1.345 3.710 -3.961 1.00 0.00 C ATOM 161 O ARG A 12 -0.390 3.512 -3.208 1.00 0.00 O ATOM 162 CB ARG A 12 -1.493 5.248 -5.905 1.00 0.00 C ATOM 163 CG ARG A 12 -1.161 6.315 -4.872 1.00 0.00 C ATOM 164 CD ARG A 12 -1.466 7.711 -5.389 1.00 0.00 C ATOM 165 NE ARG A 12 -1.249 8.730 -4.366 1.00 0.00 N ATOM 166 CZ ARG A 12 -1.148 10.030 -4.626 1.00 0.00 C ATOM 167 NH1 ARG A 12 -1.237 10.470 -5.873 1.00 0.00 N ATOM 168 NH2 ARG A 12 -0.957 10.892 -3.636 1.00 0.00 N ATOM 0 H ARG A 12 -2.783 3.269 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.114 3.601 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.953 5.468 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.556 5.301 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.732 6.131 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.106 6.248 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.836 7.924 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.500 7.754 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.170 8.427 -3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.384 9.811 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.159 11.468 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.888 10.558 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.880 11.889 -3.836 1.00 0.00 H new ATOM 182 N VAL A 13 -2.591 3.840 -3.541 1.00 0.00 N ATOM 183 CA VAL A 13 -2.927 3.785 -2.135 1.00 0.00 C ATOM 184 C VAL A 13 -2.448 2.492 -1.478 1.00 0.00 C ATOM 185 O VAL A 13 -2.086 2.489 -0.302 1.00 0.00 O ATOM 186 CB VAL A 13 -4.448 3.934 -1.924 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.811 3.784 -0.456 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.929 5.273 -2.460 1.00 0.00 C ATOM 0 H VAL A 13 -3.389 3.985 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.411 4.620 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.948 3.139 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.889 3.893 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.504 2.799 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.301 4.552 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.004 5.363 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.417 6.080 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.711 5.338 -3.526 1.00 0.00 H new ATOM 198 N ILE A 14 -2.438 1.398 -2.236 1.00 0.00 N ATOM 199 CA ILE A 14 -2.018 0.118 -1.681 1.00 0.00 C ATOM 200 C ILE A 14 -0.500 0.030 -1.483 1.00 0.00 C ATOM 201 O ILE A 14 -0.035 -0.294 -0.395 1.00 0.00 O ATOM 202 CB ILE A 14 -2.503 -1.073 -2.541 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.853 -1.066 -3.926 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.018 -1.052 -2.675 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.245 -2.247 -4.789 1.00 0.00 C ATOM 0 H ILE A 14 -2.711 1.372 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.489 0.056 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.203 -1.989 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.126 -0.145 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.769 -1.057 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.341 -1.897 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.472 -1.122 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.328 -0.122 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.745 -2.173 -5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.947 -3.173 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.325 -2.246 -4.938 1.00 0.00 H new ATOM 217 N LEU A 15 0.276 0.310 -2.523 1.00 0.00 N ATOM 218 CA LEU A 15 1.727 0.218 -2.374 1.00 0.00 C ATOM 219 C LEU A 15 2.251 1.190 -1.317 1.00 0.00 C ATOM 220 O LEU A 15 3.215 0.892 -0.612 1.00 0.00 O ATOM 221 CB LEU A 15 2.422 0.465 -3.713 1.00 0.00 C ATOM 222 CG LEU A 15 1.953 -0.436 -4.854 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.226 0.216 -6.198 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.636 -1.791 -4.773 1.00 0.00 C ATOM 0 H LEU A 15 -0.055 0.592 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 15 1.957 -0.793 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.265 1.504 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.495 0.330 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 15 0.877 -0.582 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.885 -0.442 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.693 1.165 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.296 0.393 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.292 -2.422 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.716 -1.659 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.391 -2.265 -3.823 1.00 0.00 H new ATOM 236 N LEU A 16 1.603 2.342 -1.193 1.00 0.00 N ATOM 237 CA LEU A 16 2.027 3.336 -0.229 1.00 0.00 C ATOM 238 C LEU A 16 1.676 2.899 1.187 1.00 0.00 C ATOM 239 O LEU A 16 2.488 2.992 2.113 1.00 0.00 O ATOM 240 CB LEU A 16 1.342 4.656 -0.548 1.00 0.00 C ATOM 241 CG LEU A 16 1.649 5.776 0.425 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.115 6.166 0.339 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.751 6.966 0.151 1.00 0.00 C ATOM 0 H LEU A 16 0.788 2.605 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 16 3.109 3.453 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.637 4.971 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.264 4.495 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 16 1.453 5.427 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.319 6.972 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.736 5.304 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.343 6.502 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.980 7.765 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.917 7.321 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.292 6.669 0.266 1.00 0.00 H new ATOM 255 N VAL A 17 0.451 2.427 1.343 1.00 0.00 N ATOM 256 CA VAL A 17 -0.033 1.972 2.631 1.00 0.00 C ATOM 257 C VAL A 17 0.767 0.760 3.110 1.00 0.00 C ATOM 258 O VAL A 17 1.096 0.651 4.291 1.00 0.00 O ATOM 259 CB VAL A 17 -1.537 1.654 2.554 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.797 0.324 1.883 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.175 1.693 3.927 1.00 0.00 C ATOM 0 H VAL A 17 -0.229 2.349 0.587 1.00 0.00 H new ATOM 0 HA VAL A 17 0.107 2.770 3.360 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.997 2.429 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.870 0.137 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.400 0.345 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.308 -0.470 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.237 1.465 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.696 0.956 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.051 2.687 4.358 1.00 0.00 H new ATOM 271 N LEU A 18 1.078 -0.150 2.186 1.00 0.00 N ATOM 272 CA LEU A 18 1.879 -1.317 2.523 1.00 0.00 C ATOM 273 C LEU A 18 3.288 -0.875 2.871 1.00 0.00 C ATOM 274 O LEU A 18 3.985 -1.526 3.648 1.00 0.00 O ATOM 275 CB LEU A 18 1.935 -2.292 1.342 1.00 0.00 C ATOM 276 CG LEU A 18 0.798 -3.303 1.258 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.957 -4.373 2.323 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.554 -2.629 1.386 1.00 0.00 C ATOM 0 H LEU A 18 0.789 -0.099 1.209 1.00 0.00 H new ATOM 0 HA LEU A 18 1.422 -1.821 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.949 -1.713 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.877 -2.838 1.391 1.00 0.00 H new ATOM 0 HG LEU A 18 0.846 -3.774 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.136 -5.086 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.904 -4.893 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.945 -3.909 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.342 -3.379 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.617 -2.118 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.677 -1.904 0.581 1.00 0.00 H new ATOM 290 N TYR A 19 3.692 0.246 2.284 1.00 0.00 N ATOM 291 CA TYR A 19 5.033 0.780 2.506 1.00 0.00 C ATOM 292 C TYR A 19 5.321 1.012 3.981 1.00 0.00 C ATOM 293 O TYR A 19 6.195 0.365 4.546 1.00 0.00 O ATOM 294 CB TYR A 19 5.222 2.085 1.729 1.00 0.00 C ATOM 295 CG TYR A 19 6.573 2.735 1.932 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.691 2.303 1.228 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.729 3.787 2.826 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.924 2.899 1.411 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.958 4.389 3.014 1.00 0.00 C ATOM 300 CZ TYR A 19 9.052 3.943 2.305 1.00 0.00 C ATOM 301 OH TYR A 19 10.279 4.539 2.491 1.00 0.00 O ATOM 0 H TYR A 19 3.114 0.801 1.653 1.00 0.00 H new ATOM 0 HA TYR A 19 5.740 0.033 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.083 1.886 0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.444 2.788 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.594 1.488 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.874 4.140 3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.783 2.550 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.061 5.205 3.713 1.00 0.00 H new ATOM 0 HH TYR A 19 10.197 5.257 3.153 1.00 0.00 H new ATOM 311 N ARG A 20 4.560 1.892 4.620 1.00 0.00 N ATOM 312 CA ARG A 20 4.797 2.172 6.033 1.00 0.00 C ATOM 313 C ARG A 20 4.704 0.903 6.873 1.00 0.00 C ATOM 314 O ARG A 20 5.594 0.611 7.671 1.00 0.00 O ATOM 315 CB ARG A 20 3.816 3.229 6.537 1.00 0.00 C ATOM 316 CG ARG A 20 2.370 2.955 6.166 1.00 0.00 C ATOM 317 CD ARG A 20 1.521 4.200 6.343 1.00 0.00 C ATOM 318 NE ARG A 20 0.116 3.961 6.026 1.00 0.00 N ATOM 319 CZ ARG A 20 -0.771 4.934 5.837 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.396 6.204 5.926 1.00 0.00 N ATOM 321 NH2 ARG A 20 -2.033 4.639 5.559 1.00 0.00 N ATOM 0 H ARG A 20 3.792 2.413 4.197 1.00 0.00 H new ATOM 0 HA ARG A 20 5.810 2.561 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.896 3.296 7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.106 4.200 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.314 2.615 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.977 2.150 6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.605 4.551 7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.906 4.994 5.703 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.203 2.995 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.574 6.436 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.078 6.948 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.326 3.664 5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.712 5.387 5.414 1.00 0.00 H new ATOM 335 N GLU A 21 3.624 0.157 6.688 1.00 0.00 N ATOM 336 CA GLU A 21 3.481 -1.074 7.453 1.00 0.00 C ATOM 337 C GLU A 21 4.657 -2.014 7.183 1.00 0.00 C ATOM 338 O GLU A 21 5.034 -2.811 8.041 1.00 0.00 O ATOM 339 CB GLU A 21 2.157 -1.762 7.128 1.00 0.00 C ATOM 340 CG GLU A 21 1.887 -2.985 7.987 1.00 0.00 C ATOM 341 CD GLU A 21 2.668 -4.198 7.530 1.00 0.00 C ATOM 342 OE1 GLU A 21 2.723 -4.438 6.306 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.233 -4.902 8.393 1.00 0.00 O ATOM 0 H GLU A 21 2.863 0.369 6.043 1.00 0.00 H new ATOM 0 HA GLU A 21 3.481 -0.819 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.343 -1.048 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.157 -2.057 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.143 -2.761 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.821 -3.213 7.964 1.00 0.00 H new ATOM 350 N HIS A 22 5.233 -1.912 5.990 1.00 0.00 N ATOM 351 CA HIS A 22 6.370 -2.761 5.643 1.00 0.00 C ATOM 352 C HIS A 22 7.631 -2.299 6.368 1.00 0.00 C ATOM 353 O HIS A 22 8.422 -3.118 6.837 1.00 0.00 O ATOM 354 CB HIS A 22 6.597 -2.758 4.130 1.00 0.00 C ATOM 355 CG HIS A 22 7.888 -3.393 3.705 1.00 0.00 C ATOM 356 ND1 HIS A 22 7.971 -4.689 3.239 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.148 -2.898 3.662 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.227 -4.962 2.930 1.00 0.00 C ATOM 359 NE2 HIS A 22 9.959 -3.893 3.177 1.00 0.00 N ATOM 0 H HIS A 22 4.940 -1.264 5.259 1.00 0.00 H new ATOM 0 HA HIS A 22 6.144 -3.779 5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.771 -3.281 3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.575 -1.729 3.772 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.457 -1.905 3.955 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.592 -5.901 2.541 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.966 -3.818 3.031 1.00 0.00 H new ATOM 368 N LEU A 23 7.814 -0.985 6.458 1.00 0.00 N ATOM 369 CA LEU A 23 8.980 -0.427 7.132 1.00 0.00 C ATOM 370 C LEU A 23 8.980 -0.782 8.612 1.00 0.00 C ATOM 371 O LEU A 23 9.948 -0.511 9.322 1.00 0.00 O ATOM 372 CB LEU A 23 9.025 1.092 6.965 1.00 0.00 C ATOM 373 CG LEU A 23 9.641 1.577 5.654 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.708 1.310 4.485 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.982 3.056 5.740 1.00 0.00 C ATOM 0 H LEU A 23 7.173 -0.290 6.075 1.00 0.00 H new ATOM 0 HA LEU A 23 9.867 -0.862 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.009 1.481 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.590 1.518 7.794 1.00 0.00 H new ATOM 0 HG LEU A 23 10.562 1.020 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.169 1.664 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.519 0.239 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.766 1.835 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.420 3.384 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.075 3.628 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.696 3.218 6.547 1.00 0.00 H new ATOM 387 N ASN A 24 7.892 -1.389 9.069 1.00 0.00 N ATOM 388 CA ASN A 24 7.775 -1.781 10.470 1.00 0.00 C ATOM 389 C ASN A 24 8.910 -2.715 10.888 1.00 0.00 C ATOM 390 O ASN A 24 8.953 -3.873 10.472 1.00 0.00 O ATOM 391 CB ASN A 24 6.427 -2.456 10.727 1.00 0.00 C ATOM 392 CG ASN A 24 5.331 -1.449 11.001 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.680 -0.960 10.085 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.124 -1.131 12.271 1.00 0.00 N ATOM 0 H ASN A 24 7.081 -1.620 8.495 1.00 0.00 H new ATOM 0 HA ASN A 24 7.843 -0.874 11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.155 -3.062 9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.517 -3.134 11.576 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.400 -0.456 12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.689 -1.562 13.003 1.00 0.00 H new ATOM 401 N PRO A 25 9.849 -2.218 11.719 1.00 0.00 N ATOM 402 CA PRO A 25 10.984 -3.015 12.197 1.00 0.00 C ATOM 403 C PRO A 25 10.549 -4.270 12.941 1.00 0.00 C ATOM 404 O PRO A 25 11.213 -5.304 12.875 1.00 0.00 O ATOM 405 CB PRO A 25 11.710 -2.075 13.160 1.00 0.00 C ATOM 406 CG PRO A 25 11.292 -0.706 12.751 1.00 0.00 C ATOM 407 CD PRO A 25 9.886 -0.842 12.245 1.00 0.00 C ATOM 0 HA PRO A 25 11.597 -3.365 11.366 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.434 -2.279 14.194 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.791 -2.195 13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.340 -0.015 13.593 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.950 -0.311 11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.156 -0.695 13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.664 -0.108 11.470 1.00 0.00 H new ATOM 415 N ASN A 26 9.429 -4.174 13.651 1.00 0.00 N ATOM 416 CA ASN A 26 8.939 -5.315 14.410 1.00 0.00 C ATOM 417 C ASN A 26 7.512 -5.675 14.003 1.00 0.00 C ATOM 418 O ASN A 26 6.860 -6.500 14.644 1.00 0.00 O ATOM 419 CB ASN A 26 9.007 -5.017 15.911 1.00 0.00 C ATOM 420 CG ASN A 26 8.658 -6.221 16.764 1.00 0.00 C ATOM 421 OD1 ASN A 26 7.502 -6.418 17.141 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.658 -7.037 17.074 1.00 0.00 N ATOM 0 H ASN A 26 8.854 -3.334 13.716 1.00 0.00 H new ATOM 0 HA ASN A 26 9.577 -6.171 14.189 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.011 -4.676 16.164 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.324 -4.200 16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.483 -7.864 17.645 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.601 -6.837 16.741 1.00 0.00 H new ATOM 429 N GLY A 27 7.039 -5.056 12.930 1.00 0.00 N ATOM 430 CA GLY A 27 5.693 -5.324 12.456 1.00 0.00 C ATOM 431 C GLY A 27 5.556 -6.710 11.858 1.00 0.00 C ATOM 432 O GLY A 27 5.905 -7.705 12.492 1.00 0.00 O ATOM 0 H GLY A 27 7.561 -4.374 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.991 -5.217 13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.419 -4.580 11.708 1.00 0.00 H new ATOM 436 N HIS A 28 5.047 -6.774 10.633 1.00 0.00 N ATOM 437 CA HIS A 28 4.866 -8.047 9.949 1.00 0.00 C ATOM 438 C HIS A 28 5.308 -7.949 8.493 1.00 0.00 C ATOM 439 O HIS A 28 5.461 -8.964 7.815 1.00 0.00 O ATOM 440 CB HIS A 28 3.402 -8.485 10.020 1.00 0.00 C ATOM 441 CG HIS A 28 2.903 -8.688 11.416 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.859 -9.922 12.028 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.423 -7.804 12.323 1.00 0.00 C ATOM 444 CE1 HIS A 28 2.374 -9.790 13.250 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.102 -8.514 13.453 1.00 0.00 N ATOM 0 H HIS A 28 4.753 -5.959 10.094 1.00 0.00 H new ATOM 0 HA HIS A 28 5.485 -8.791 10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.783 -7.735 9.528 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.282 -9.414 9.462 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.313 -6.739 12.183 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.225 -10.589 13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.716 -8.120 14.311 1.00 0.00 H new ATOM 454 N HIS A 29 5.516 -6.720 8.026 1.00 0.00 N ATOM 455 CA HIS A 29 5.938 -6.474 6.648 1.00 0.00 C ATOM 456 C HIS A 29 4.819 -6.816 5.668 1.00 0.00 C ATOM 457 O HIS A 29 5.057 -6.981 4.472 1.00 0.00 O ATOM 458 CB HIS A 29 7.195 -7.284 6.313 1.00 0.00 C ATOM 459 CG HIS A 29 8.344 -7.019 7.236 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.612 -7.792 8.345 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.302 -6.062 7.207 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.682 -7.321 8.960 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.120 -6.272 8.289 1.00 0.00 N ATOM 0 H HIS A 29 5.399 -5.875 8.585 1.00 0.00 H new ATOM 0 HA HIS A 29 6.170 -5.413 6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.952 -8.346 6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.501 -7.058 5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.403 -5.279 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.123 -7.725 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.934 -5.709 8.535 1.00 0.00 H new ATOM 472 N PHE A 30 3.596 -6.912 6.183 1.00 0.00 N ATOM 473 CA PHE A 30 2.435 -7.233 5.349 1.00 0.00 C ATOM 474 C PHE A 30 1.124 -6.880 6.049 1.00 0.00 C ATOM 475 O PHE A 30 1.114 -6.492 7.217 1.00 0.00 O ATOM 476 CB PHE A 30 2.421 -8.719 4.960 1.00 0.00 C ATOM 477 CG PHE A 30 2.308 -9.669 6.125 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.115 -9.795 6.825 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.389 -10.444 6.510 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.007 -10.675 7.885 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.285 -11.324 7.572 1.00 0.00 C ATOM 482 CZ PHE A 30 2.093 -11.440 8.259 1.00 0.00 C ATOM 0 H PHE A 30 3.381 -6.773 7.170 1.00 0.00 H new ATOM 0 HA PHE A 30 2.522 -6.630 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.587 -8.896 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.334 -8.946 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.262 -9.198 6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.324 -10.360 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.073 -10.764 8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.137 -11.921 7.864 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.011 -12.128 9.087 1.00 0.00 H new ATOM 492 N LEU A 31 0.017 -7.033 5.322 1.00 0.00 N ATOM 493 CA LEU A 31 -1.303 -6.737 5.860 1.00 0.00 C ATOM 494 C LEU A 31 -2.382 -7.546 5.147 1.00 0.00 C ATOM 495 O LEU A 31 -2.187 -8.006 4.022 1.00 0.00 O ATOM 496 CB LEU A 31 -1.611 -5.250 5.710 1.00 0.00 C ATOM 497 CG LEU A 31 -0.949 -4.333 6.735 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.262 -2.878 6.423 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.405 -4.685 8.144 1.00 0.00 C ATOM 0 H LEU A 31 0.013 -7.361 4.356 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.300 -7.009 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.304 -4.932 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.691 -5.113 5.770 1.00 0.00 H new ATOM 0 HG LEU A 31 0.130 -4.476 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.783 -2.236 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.887 -2.630 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.341 -2.723 6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.922 -4.020 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.487 -4.571 8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.134 -5.717 8.367 1.00 0.00 H new ATOM 511 N THR A 32 -3.521 -7.714 5.812 1.00 0.00 N ATOM 512 CA THR A 32 -4.643 -8.449 5.240 1.00 0.00 C ATOM 513 C THR A 32 -5.674 -7.483 4.668 1.00 0.00 C ATOM 514 O THR A 32 -5.747 -6.330 5.085 1.00 0.00 O ATOM 515 CB THR A 32 -5.320 -9.354 6.286 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.730 -8.576 7.417 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.376 -10.458 6.737 1.00 0.00 C ATOM 0 H THR A 32 -3.691 -7.350 6.750 1.00 0.00 H new ATOM 0 HA THR A 32 -4.246 -9.078 4.443 1.00 0.00 H new ATOM 0 HB THR A 32 -6.196 -9.812 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.161 -9.159 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.876 -11.085 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.091 -11.066 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.484 -10.015 7.180 1.00 0.00 H new ATOM 525 N LYS A 33 -6.477 -7.960 3.720 1.00 0.00 N ATOM 526 CA LYS A 33 -7.485 -7.092 3.111 1.00 0.00 C ATOM 527 C LYS A 33 -8.335 -6.389 4.165 1.00 0.00 C ATOM 528 O LYS A 33 -8.902 -5.327 3.909 1.00 0.00 O ATOM 529 CB LYS A 33 -8.387 -7.908 2.185 1.00 0.00 C ATOM 530 CG LYS A 33 -8.648 -7.246 0.839 1.00 0.00 C ATOM 531 CD LYS A 33 -9.386 -5.926 0.995 1.00 0.00 C ATOM 532 CE LYS A 33 -9.638 -5.262 -0.351 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.391 -3.986 -0.209 1.00 0.00 N ATOM 0 H LYS A 33 -6.454 -8.915 3.364 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.960 -6.329 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.931 -8.884 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.340 -8.083 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.701 -7.075 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.233 -7.918 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.336 -6.098 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.805 -5.256 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.685 -5.068 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.196 -5.943 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.860 -3.758 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.106 -4.086 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.733 -3.221 0.042 1.00 0.00 H new ATOM 547 N GLU A 34 -8.419 -6.979 5.349 1.00 0.00 N ATOM 548 CA GLU A 34 -9.194 -6.393 6.435 1.00 0.00 C ATOM 549 C GLU A 34 -8.416 -5.269 7.118 1.00 0.00 C ATOM 550 O GLU A 34 -8.964 -4.201 7.393 1.00 0.00 O ATOM 551 CB GLU A 34 -9.568 -7.467 7.456 1.00 0.00 C ATOM 552 CG GLU A 34 -10.413 -8.590 6.877 1.00 0.00 C ATOM 553 CD GLU A 34 -11.727 -8.097 6.305 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.718 -8.036 7.063 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.766 -7.771 5.100 1.00 0.00 O ATOM 0 H GLU A 34 -7.962 -7.860 5.582 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.105 -5.970 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.656 -7.890 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.112 -7.001 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.849 -9.098 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.614 -9.327 7.655 1.00 0.00 H new ATOM 562 N GLU A 35 -7.137 -5.518 7.390 1.00 0.00 N ATOM 563 CA GLU A 35 -6.304 -4.514 8.043 1.00 0.00 C ATOM 564 C GLU A 35 -5.966 -3.390 7.074 1.00 0.00 C ATOM 565 O GLU A 35 -5.725 -2.252 7.475 1.00 0.00 O ATOM 566 CB GLU A 35 -5.018 -5.151 8.574 1.00 0.00 C ATOM 567 CG GLU A 35 -5.259 -6.227 9.621 1.00 0.00 C ATOM 568 CD GLU A 35 -5.957 -5.692 10.856 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.254 -5.257 11.793 1.00 0.00 O ATOM 570 OE2 GLU A 35 -7.205 -5.709 10.887 1.00 0.00 O ATOM 0 H GLU A 35 -6.661 -6.393 7.172 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.863 -4.098 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.466 -5.584 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.387 -4.373 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.860 -7.025 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.305 -6.668 9.910 1.00 0.00 H new ATOM 577 N LEU A 36 -5.952 -3.732 5.793 1.00 0.00 N ATOM 578 CA LEU A 36 -5.639 -2.778 4.741 1.00 0.00 C ATOM 579 C LEU A 36 -6.673 -1.664 4.667 1.00 0.00 C ATOM 580 O LEU A 36 -6.330 -0.485 4.671 1.00 0.00 O ATOM 581 CB LEU A 36 -5.577 -3.506 3.405 1.00 0.00 C ATOM 582 CG LEU A 36 -4.398 -4.460 3.252 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.571 -5.361 2.037 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.096 -3.683 3.163 1.00 0.00 C ATOM 0 H LEU A 36 -6.156 -4.673 5.456 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.675 -2.324 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.501 -4.068 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.534 -2.766 2.606 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.363 -5.097 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.714 -6.030 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.482 -5.950 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.641 -4.749 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.264 -4.379 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.128 -3.017 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.961 -3.095 4.071 1.00 0.00 H new ATOM 596 N LEU A 37 -7.934 -2.056 4.589 1.00 0.00 N ATOM 597 CA LEU A 37 -9.038 -1.105 4.511 1.00 0.00 C ATOM 598 C LEU A 37 -8.906 -0.016 5.573 1.00 0.00 C ATOM 599 O LEU A 37 -9.120 1.162 5.293 1.00 0.00 O ATOM 600 CB LEU A 37 -10.371 -1.840 4.675 1.00 0.00 C ATOM 601 CG LEU A 37 -10.753 -2.761 3.515 1.00 0.00 C ATOM 602 CD1 LEU A 37 -12.016 -3.541 3.847 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.945 -1.956 2.237 1.00 0.00 C ATOM 0 H LEU A 37 -8.223 -3.034 4.578 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.006 -0.626 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.332 -2.431 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.161 -1.101 4.807 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.941 -3.471 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.273 -4.191 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.846 -4.146 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.835 -2.846 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.216 -2.627 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.739 -1.224 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.017 -1.440 1.989 1.00 0.00 H new ATOM 615 N GLN A 38 -8.567 -0.412 6.795 1.00 0.00 N ATOM 616 CA GLN A 38 -8.397 0.545 7.881 1.00 0.00 C ATOM 617 C GLN A 38 -7.095 1.321 7.705 1.00 0.00 C ATOM 618 O GLN A 38 -7.021 2.513 8.001 1.00 0.00 O ATOM 619 CB GLN A 38 -8.399 -0.175 9.231 1.00 0.00 C ATOM 620 CG GLN A 38 -9.683 -0.941 9.508 1.00 0.00 C ATOM 621 CD GLN A 38 -9.658 -1.656 10.845 1.00 0.00 C ATOM 622 OE1 GLN A 38 -9.238 -2.810 10.936 1.00 0.00 O ATOM 623 NE2 GLN A 38 -10.109 -0.973 11.890 1.00 0.00 N ATOM 0 H GLN A 38 -8.405 -1.384 7.057 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.231 1.247 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.558 -0.867 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.243 0.556 10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.526 -0.250 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.846 -1.669 8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.448 -0.019 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.117 -1.402 12.815 1.00 0.00 H new ATOM 632 N ARG A 39 -6.074 0.623 7.221 1.00 0.00 N ATOM 633 CA ARG A 39 -4.768 1.225 6.999 1.00 0.00 C ATOM 634 C ARG A 39 -4.844 2.391 6.013 1.00 0.00 C ATOM 635 O ARG A 39 -4.402 3.502 6.309 1.00 0.00 O ATOM 636 CB ARG A 39 -3.819 0.160 6.468 1.00 0.00 C ATOM 637 CG ARG A 39 -2.377 0.392 6.852 1.00 0.00 C ATOM 638 CD ARG A 39 -2.115 0.006 8.298 1.00 0.00 C ATOM 639 NE ARG A 39 -2.768 0.911 9.240 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.872 0.669 10.544 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.370 -0.446 11.057 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.478 1.543 11.335 1.00 0.00 N ATOM 0 H ARG A 39 -6.128 -0.365 6.974 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.403 1.620 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.134 -0.814 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.896 0.125 5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.727 -0.188 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.125 1.442 6.703 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.468 -1.011 8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.041 0.006 8.483 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.167 1.777 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.903 -1.121 10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.451 -0.629 12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.865 2.402 10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.557 1.357 12.335 1.00 0.00 H new ATOM 656 N CYS A 40 -5.407 2.119 4.844 1.00 0.00 N ATOM 657 CA CYS A 40 -5.558 3.130 3.798 1.00 0.00 C ATOM 658 C CYS A 40 -6.298 4.352 4.331 1.00 0.00 C ATOM 659 O CYS A 40 -6.082 5.470 3.864 1.00 0.00 O ATOM 660 CB CYS A 40 -6.302 2.550 2.594 1.00 0.00 C ATOM 661 SG CYS A 40 -8.039 2.163 2.906 1.00 0.00 S ATOM 0 H CYS A 40 -5.770 1.200 4.592 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.562 3.438 3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.243 3.260 1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.793 1.642 2.270 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.194 1.841 4.156 1.00 0.00 H new ATOM 667 N ALA A 41 -7.186 4.128 5.297 1.00 0.00 N ATOM 668 CA ALA A 41 -7.959 5.213 5.894 1.00 0.00 C ATOM 669 C ALA A 41 -7.057 6.272 6.527 1.00 0.00 C ATOM 670 O ALA A 41 -7.544 7.278 7.044 1.00 0.00 O ATOM 671 CB ALA A 41 -8.930 4.664 6.929 1.00 0.00 C ATOM 0 H ALA A 41 -7.388 3.205 5.682 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.522 5.693 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.499 5.485 7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.613 3.962 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.374 4.151 7.714 1.00 0.00 H new ATOM 677 N GLN A 42 -5.744 6.049 6.485 1.00 0.00 N ATOM 678 CA GLN A 42 -4.832 7.029 7.060 1.00 0.00 C ATOM 679 C GLN A 42 -4.264 7.904 5.950 1.00 0.00 C ATOM 680 O GLN A 42 -3.798 9.018 6.192 1.00 0.00 O ATOM 681 CB GLN A 42 -3.699 6.341 7.826 1.00 0.00 C ATOM 682 CG GLN A 42 -4.106 5.842 9.203 1.00 0.00 C ATOM 683 CD GLN A 42 -5.143 4.738 9.145 1.00 0.00 C ATOM 684 OE1 GLN A 42 -6.345 4.999 9.136 1.00 0.00 O ATOM 685 NE2 GLN A 42 -4.679 3.495 9.116 1.00 0.00 N ATOM 0 H GLN A 42 -5.302 5.227 6.073 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.384 7.650 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.334 5.499 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.869 7.039 7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.223 5.478 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.501 6.675 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.673 3.326 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.328 2.709 9.085 1.00 0.00 H new ATOM 694 N LYS A 43 -4.308 7.374 4.727 1.00 0.00 N ATOM 695 CA LYS A 43 -3.823 8.086 3.550 1.00 0.00 C ATOM 696 C LYS A 43 -4.404 9.491 3.501 1.00 0.00 C ATOM 697 O LYS A 43 -3.766 10.429 3.022 1.00 0.00 O ATOM 698 CB LYS A 43 -4.215 7.322 2.287 1.00 0.00 C ATOM 699 CG LYS A 43 -3.612 7.900 1.023 1.00 0.00 C ATOM 700 CD LYS A 43 -3.035 6.804 0.150 1.00 0.00 C ATOM 701 CE LYS A 43 -2.321 7.366 -1.066 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.225 8.190 -1.915 1.00 0.00 N ATOM 0 H LYS A 43 -4.679 6.445 4.528 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.737 8.158 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.902 6.283 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.301 7.320 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.374 8.448 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.830 8.614 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.338 6.203 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.835 6.139 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.476 7.973 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.915 6.546 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.679 8.951 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.656 7.590 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.973 8.606 -1.324 1.00 0.00 H new ATOM 716 N SER A 44 -5.626 9.622 4.004 1.00 0.00 N ATOM 717 CA SER A 44 -6.319 10.900 4.032 1.00 0.00 C ATOM 718 C SER A 44 -7.374 10.905 5.140 1.00 0.00 C ATOM 719 O SER A 44 -8.214 10.008 5.199 1.00 0.00 O ATOM 720 CB SER A 44 -6.975 11.172 2.678 1.00 0.00 C ATOM 721 OG SER A 44 -7.671 12.406 2.684 1.00 0.00 O ATOM 0 H SER A 44 -6.160 8.849 4.401 1.00 0.00 H new ATOM 0 HA SER A 44 -5.594 11.688 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.214 11.185 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.665 10.364 2.436 1.00 0.00 H new ATOM 0 HG SER A 44 -8.079 12.556 1.806 1.00 0.00 H new ATOM 727 N PRO A 45 -7.344 11.910 6.036 1.00 0.00 N ATOM 728 CA PRO A 45 -8.307 12.006 7.139 1.00 0.00 C ATOM 729 C PRO A 45 -9.746 11.834 6.668 1.00 0.00 C ATOM 730 O PRO A 45 -10.453 10.932 7.118 1.00 0.00 O ATOM 731 CB PRO A 45 -8.083 13.418 7.682 1.00 0.00 C ATOM 732 CG PRO A 45 -6.666 13.728 7.349 1.00 0.00 C ATOM 733 CD PRO A 45 -6.382 13.029 6.046 1.00 0.00 C ATOM 0 HA PRO A 45 -8.158 11.222 7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.764 14.133 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.256 13.461 8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.514 14.803 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.995 13.378 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.530 13.693 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.353 12.673 5.998 1.00 0.00 H new ATOM 741 N ARG A 46 -10.173 12.703 5.759 1.00 0.00 N ATOM 742 CA ARG A 46 -11.527 12.636 5.227 1.00 0.00 C ATOM 743 C ARG A 46 -11.518 12.144 3.782 1.00 0.00 C ATOM 744 O ARG A 46 -11.361 12.931 2.849 1.00 0.00 O ATOM 745 CB ARG A 46 -12.203 14.006 5.309 1.00 0.00 C ATOM 746 CG ARG A 46 -12.325 14.540 6.726 1.00 0.00 C ATOM 747 CD ARG A 46 -13.002 15.900 6.752 1.00 0.00 C ATOM 748 NE ARG A 46 -13.142 16.417 8.110 1.00 0.00 N ATOM 749 CZ ARG A 46 -13.722 17.577 8.403 1.00 0.00 C ATOM 750 NH1 ARG A 46 -14.214 18.339 7.435 1.00 0.00 N ATOM 751 NH2 ARG A 46 -13.811 17.976 9.664 1.00 0.00 N ATOM 0 H ARG A 46 -9.604 13.458 5.377 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.093 11.927 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.636 14.718 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.198 13.938 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.895 13.837 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.334 14.617 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.423 16.604 6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.986 15.824 6.290 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.774 15.856 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.148 18.035 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.659 19.228 7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.434 17.393 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.256 18.866 9.887 1.00 0.00 H new ATOM 765 N VAL A 47 -11.676 10.835 3.609 1.00 0.00 N ATOM 766 CA VAL A 47 -11.687 10.237 2.279 1.00 0.00 C ATOM 767 C VAL A 47 -13.088 10.272 1.677 1.00 0.00 C ATOM 768 O VAL A 47 -13.305 9.804 0.560 1.00 0.00 O ATOM 769 CB VAL A 47 -11.185 8.779 2.313 1.00 0.00 C ATOM 770 CG1 VAL A 47 -9.727 8.723 2.750 1.00 0.00 C ATOM 771 CG2 VAL A 47 -12.056 7.935 3.232 1.00 0.00 C ATOM 0 H VAL A 47 -11.798 10.169 4.372 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.013 10.827 1.658 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.254 8.369 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.392 7.686 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.115 9.290 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.629 9.153 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.686 6.910 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.022 8.344 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.084 7.946 2.870 1.00 0.00 H new ATOM 781 N ALA A 48 -14.034 10.831 2.434 1.00 0.00 N ATOM 782 CA ALA A 48 -15.419 10.936 1.980 1.00 0.00 C ATOM 783 C ALA A 48 -16.066 9.557 1.847 1.00 0.00 C ATOM 784 O ALA A 48 -15.622 8.733 1.046 1.00 0.00 O ATOM 785 CB ALA A 48 -15.492 11.689 0.659 1.00 0.00 C ATOM 0 H ALA A 48 -13.865 11.217 3.363 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.976 11.495 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -16.531 11.758 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.085 12.692 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.912 11.157 -0.095 1.00 0.00 H new ATOM 791 N PRO A 49 -17.130 9.285 2.630 1.00 0.00 N ATOM 792 CA PRO A 49 -17.832 7.995 2.588 1.00 0.00 C ATOM 793 C PRO A 49 -18.292 7.634 1.181 1.00 0.00 C ATOM 794 O PRO A 49 -18.551 8.511 0.356 1.00 0.00 O ATOM 795 CB PRO A 49 -19.039 8.211 3.504 1.00 0.00 C ATOM 796 CG PRO A 49 -18.630 9.310 4.421 1.00 0.00 C ATOM 797 CD PRO A 49 -17.731 10.205 3.616 1.00 0.00 C ATOM 0 HA PRO A 49 -17.188 7.173 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.926 8.483 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.283 7.304 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.499 9.857 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.109 8.917 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.290 11.005 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.972 10.678 4.239 1.00 0.00 H new ATOM 805 N GLY A 50 -18.392 6.335 0.912 1.00 0.00 N ATOM 806 CA GLY A 50 -18.819 5.883 -0.399 1.00 0.00 C ATOM 807 C GLY A 50 -17.668 5.786 -1.381 1.00 0.00 C ATOM 808 O GLY A 50 -17.632 4.884 -2.219 1.00 0.00 O ATOM 0 H GLY A 50 -18.185 5.590 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -19.297 4.908 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -19.570 6.570 -0.790 1.00 0.00 H new ATOM 812 N SER A 51 -16.726 6.718 -1.278 1.00 0.00 N ATOM 813 CA SER A 51 -15.567 6.735 -2.163 1.00 0.00 C ATOM 814 C SER A 51 -14.540 5.695 -1.732 1.00 0.00 C ATOM 815 O SER A 51 -13.859 5.862 -0.720 1.00 0.00 O ATOM 816 CB SER A 51 -14.928 8.125 -2.176 1.00 0.00 C ATOM 817 OG SER A 51 -15.844 9.103 -2.640 1.00 0.00 O ATOM 0 H SER A 51 -16.743 7.471 -0.590 1.00 0.00 H new ATOM 0 HA SER A 51 -15.906 6.490 -3.170 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.592 8.384 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.045 8.117 -2.815 1.00 0.00 H new ATOM 0 HG SER A 51 -15.412 9.983 -2.637 1.00 0.00 H new ATOM 823 N ALA A 52 -14.435 4.619 -2.505 1.00 0.00 N ATOM 824 CA ALA A 52 -13.490 3.550 -2.204 1.00 0.00 C ATOM 825 C ALA A 52 -12.910 2.954 -3.485 1.00 0.00 C ATOM 826 O ALA A 52 -13.557 2.137 -4.142 1.00 0.00 O ATOM 827 CB ALA A 52 -14.168 2.468 -1.377 1.00 0.00 C ATOM 0 H ALA A 52 -14.993 4.464 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.668 3.974 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.453 1.675 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.530 2.897 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.008 2.055 -1.936 1.00 0.00 H new ATOM 833 N PRO A 53 -11.682 3.360 -3.863 1.00 0.00 N ATOM 834 CA PRO A 53 -11.025 2.854 -5.073 1.00 0.00 C ATOM 835 C PRO A 53 -10.955 1.327 -5.099 1.00 0.00 C ATOM 836 O PRO A 53 -10.921 0.686 -4.050 1.00 0.00 O ATOM 837 CB PRO A 53 -9.617 3.452 -4.995 1.00 0.00 C ATOM 838 CG PRO A 53 -9.766 4.665 -4.146 1.00 0.00 C ATOM 839 CD PRO A 53 -10.842 4.340 -3.149 1.00 0.00 C ATOM 0 HA PRO A 53 -11.569 3.131 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.911 2.746 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.240 3.706 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.829 4.908 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.040 5.532 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.427 3.922 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.410 5.227 -2.867 1.00 0.00 H new ATOM 847 N PRO A 54 -10.937 0.725 -6.303 1.00 0.00 N ATOM 848 CA PRO A 54 -10.871 -0.733 -6.454 1.00 0.00 C ATOM 849 C PRO A 54 -9.566 -1.313 -5.916 1.00 0.00 C ATOM 850 O PRO A 54 -8.486 -1.010 -6.423 1.00 0.00 O ATOM 851 CB PRO A 54 -10.960 -0.950 -7.971 1.00 0.00 C ATOM 852 CG PRO A 54 -11.479 0.332 -8.526 1.00 0.00 C ATOM 853 CD PRO A 54 -10.988 1.408 -7.604 1.00 0.00 C ATOM 0 HA PRO A 54 -11.663 -1.230 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.984 -1.193 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.625 -1.779 -8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.117 0.493 -9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.568 0.325 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.009 1.781 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.663 2.264 -7.585 1.00 0.00 H new ATOM 861 N TRP A 55 -9.675 -2.146 -4.885 1.00 0.00 N ATOM 862 CA TRP A 55 -8.503 -2.771 -4.284 1.00 0.00 C ATOM 863 C TRP A 55 -8.169 -4.130 -4.909 1.00 0.00 C ATOM 864 O TRP A 55 -7.012 -4.543 -4.873 1.00 0.00 O ATOM 865 CB TRP A 55 -8.677 -2.907 -2.771 1.00 0.00 C ATOM 866 CG TRP A 55 -8.122 -1.731 -2.034 1.00 0.00 C ATOM 867 CD1 TRP A 55 -8.515 -0.431 -2.166 1.00 0.00 C ATOM 868 CD2 TRP A 55 -7.066 -1.735 -1.064 1.00 0.00 C ATOM 869 NE1 TRP A 55 -7.765 0.376 -1.347 1.00 0.00 N ATOM 870 CE2 TRP A 55 -6.870 -0.400 -0.660 1.00 0.00 C ATOM 871 CE3 TRP A 55 -6.262 -2.733 -0.495 1.00 0.00 C ATOM 872 CZ2 TRP A 55 -5.909 -0.041 0.280 1.00 0.00 C ATOM 873 CZ3 TRP A 55 -5.317 -2.367 0.435 1.00 0.00 C ATOM 874 CH2 TRP A 55 -5.145 -1.035 0.814 1.00 0.00 C ATOM 0 H TRP A 55 -10.561 -2.403 -4.450 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.659 -2.112 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.736 -3.015 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.181 -3.816 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.302 -0.087 -2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.859 1.388 -1.264 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.382 -3.767 -0.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.773 0.989 0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.694 -3.128 0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.391 -0.787 1.546 1.00 0.00 H new ATOM 885 N PRO A 56 -9.157 -4.862 -5.481 1.00 0.00 N ATOM 886 CA PRO A 56 -8.889 -6.158 -6.118 1.00 0.00 C ATOM 887 C PRO A 56 -7.699 -6.090 -7.074 1.00 0.00 C ATOM 888 O PRO A 56 -7.182 -7.118 -7.514 1.00 0.00 O ATOM 889 CB PRO A 56 -10.178 -6.447 -6.884 1.00 0.00 C ATOM 890 CG PRO A 56 -11.238 -5.753 -6.103 1.00 0.00 C ATOM 891 CD PRO A 56 -10.593 -4.517 -5.535 1.00 0.00 C ATOM 0 HA PRO A 56 -8.630 -6.929 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.126 -6.070 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.370 -7.518 -6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.085 -5.494 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.620 -6.394 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.772 -3.646 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.985 -4.280 -4.546 1.00 0.00 H new ATOM 899 N ALA A 57 -7.274 -4.868 -7.392 1.00 0.00 N ATOM 900 CA ALA A 57 -6.139 -4.653 -8.282 1.00 0.00 C ATOM 901 C ALA A 57 -4.894 -5.364 -7.765 1.00 0.00 C ATOM 902 O ALA A 57 -3.937 -5.572 -8.509 1.00 0.00 O ATOM 903 CB ALA A 57 -5.870 -3.164 -8.439 1.00 0.00 C ATOM 0 H ALA A 57 -7.702 -4.010 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.387 -5.073 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.020 -3.016 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.750 -2.678 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.646 -2.730 -7.464 1.00 0.00 H new ATOM 909 N LEU A 58 -4.911 -5.731 -6.483 1.00 0.00 N ATOM 910 CA LEU A 58 -3.781 -6.426 -5.874 1.00 0.00 C ATOM 911 C LEU A 58 -3.339 -7.597 -6.740 1.00 0.00 C ATOM 912 O LEU A 58 -2.158 -7.737 -7.049 1.00 0.00 O ATOM 913 CB LEU A 58 -4.144 -6.922 -4.472 1.00 0.00 C ATOM 914 CG LEU A 58 -3.702 -6.013 -3.321 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.186 -5.876 -3.302 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.362 -4.647 -3.430 1.00 0.00 C ATOM 0 H LEU A 58 -5.692 -5.559 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.955 -5.719 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.225 -7.049 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.700 -7.907 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.018 -6.470 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.890 -5.227 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.733 -6.859 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.848 -5.444 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.034 -4.017 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.080 -4.181 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.445 -4.762 -3.391 1.00 0.00 H new ATOM 928 N ARG A 59 -4.296 -8.433 -7.130 1.00 0.00 N ATOM 929 CA ARG A 59 -4.005 -9.586 -7.972 1.00 0.00 C ATOM 930 C ARG A 59 -3.261 -9.149 -9.229 1.00 0.00 C ATOM 931 O ARG A 59 -2.385 -9.856 -9.726 1.00 0.00 O ATOM 932 CB ARG A 59 -5.301 -10.304 -8.352 1.00 0.00 C ATOM 933 CG ARG A 59 -6.071 -10.842 -7.157 1.00 0.00 C ATOM 934 CD ARG A 59 -7.354 -11.535 -7.587 1.00 0.00 C ATOM 935 NE ARG A 59 -8.109 -12.047 -6.446 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.280 -12.667 -6.556 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.829 -12.853 -7.749 1.00 0.00 N ATOM 938 NH2 ARG A 59 -9.904 -13.104 -5.470 1.00 0.00 N ATOM 0 H ARG A 59 -5.279 -8.333 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.372 -10.275 -7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.940 -9.615 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.066 -11.130 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.445 -11.543 -6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.308 -10.024 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.974 -10.835 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.113 -12.357 -8.261 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.716 -11.922 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.353 -12.520 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.728 -13.329 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.485 -12.964 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.802 -13.580 -5.555 1.00 0.00 H new ATOM 952 N SER A 60 -3.623 -7.974 -9.736 1.00 0.00 N ATOM 953 CA SER A 60 -2.986 -7.441 -10.933 1.00 0.00 C ATOM 954 C SER A 60 -1.568 -6.955 -10.634 1.00 0.00 C ATOM 955 O SER A 60 -0.675 -7.076 -11.472 1.00 0.00 O ATOM 956 CB SER A 60 -3.818 -6.293 -11.510 1.00 0.00 C ATOM 957 OG SER A 60 -5.120 -6.731 -11.856 1.00 0.00 O ATOM 0 H SER A 60 -4.349 -7.377 -9.339 1.00 0.00 H new ATOM 0 HA SER A 60 -2.925 -8.245 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.884 -5.486 -10.781 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.321 -5.887 -12.391 1.00 0.00 H new ATOM 0 HG SER A 60 -5.632 -5.979 -12.221 1.00 0.00 H new ATOM 963 N LEU A 61 -1.366 -6.406 -9.437 1.00 0.00 N ATOM 964 CA LEU A 61 -0.052 -5.905 -9.047 1.00 0.00 C ATOM 965 C LEU A 61 0.909 -7.047 -8.725 1.00 0.00 C ATOM 966 O LEU A 61 2.092 -6.977 -9.059 1.00 0.00 O ATOM 967 CB LEU A 61 -0.160 -4.942 -7.861 1.00 0.00 C ATOM 968 CG LEU A 61 -0.490 -3.499 -8.239 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.992 -3.268 -8.222 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.221 -2.534 -7.307 1.00 0.00 C ATOM 0 H LEU A 61 -2.090 -6.298 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 61 0.353 -5.357 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.928 -5.310 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.783 -4.954 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.136 -3.316 -9.254 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.204 -2.234 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.471 -3.937 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.379 -3.467 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.023 -1.510 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.101 -2.715 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.298 -2.683 -7.381 1.00 0.00 H new ATOM 982 N LEU A 62 0.405 -8.093 -8.071 1.00 0.00 N ATOM 983 CA LEU A 62 1.234 -9.245 -7.741 1.00 0.00 C ATOM 984 C LEU A 62 1.903 -9.753 -9.008 1.00 0.00 C ATOM 985 O LEU A 62 3.052 -10.196 -8.995 1.00 0.00 O ATOM 986 CB LEU A 62 0.384 -10.361 -7.136 1.00 0.00 C ATOM 987 CG LEU A 62 -0.398 -9.995 -5.871 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.563 -10.952 -5.681 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.509 -10.024 -4.651 1.00 0.00 C ATOM 0 H LEU A 62 -0.565 -8.164 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 62 1.986 -8.944 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.324 -10.702 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.036 -11.204 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.786 -8.983 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.112 -10.682 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.228 -10.891 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.186 -11.970 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.066 -9.761 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.925 -11.024 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.320 -9.307 -4.783 1.00 0.00 H new ATOM 1001 N HIS A 63 1.154 -9.680 -10.101 1.00 0.00 N ATOM 1002 CA HIS A 63 1.636 -10.113 -11.400 1.00 0.00 C ATOM 1003 C HIS A 63 2.800 -9.241 -11.854 1.00 0.00 C ATOM 1004 O HIS A 63 3.739 -9.725 -12.487 1.00 0.00 O ATOM 1005 CB HIS A 63 0.499 -10.046 -12.419 1.00 0.00 C ATOM 1006 CG HIS A 63 0.884 -10.521 -13.786 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.677 -11.814 -14.220 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.462 -9.868 -14.822 1.00 0.00 C ATOM 1009 CE1 HIS A 63 1.111 -11.935 -15.462 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.592 -10.769 -15.851 1.00 0.00 N ATOM 0 H HIS A 63 0.200 -9.320 -10.109 1.00 0.00 H new ATOM 0 HA HIS A 63 1.987 -11.142 -11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.336 -10.646 -12.058 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.146 -9.017 -12.488 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.765 -8.831 -14.837 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.078 -12.835 -16.058 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.995 -10.569 -16.767 1.00 0.00 H new ATOM 1019 N ARG A 64 2.734 -7.953 -11.526 1.00 0.00 N ATOM 1020 CA ARG A 64 3.792 -7.029 -11.901 1.00 0.00 C ATOM 1021 C ARG A 64 4.965 -7.143 -10.936 1.00 0.00 C ATOM 1022 O ARG A 64 5.990 -6.483 -11.106 1.00 0.00 O ATOM 1023 CB ARG A 64 3.259 -5.597 -11.926 1.00 0.00 C ATOM 1024 CG ARG A 64 2.050 -5.420 -12.831 1.00 0.00 C ATOM 1025 CD ARG A 64 1.744 -3.952 -13.070 1.00 0.00 C ATOM 1026 NE ARG A 64 2.799 -3.296 -13.837 1.00 0.00 N ATOM 1027 CZ ARG A 64 3.362 -2.147 -13.483 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.976 -1.531 -12.375 1.00 0.00 N ATOM 1029 NH2 ARG A 64 4.314 -1.613 -14.237 1.00 0.00 N ATOM 0 H ARG A 64 1.965 -7.532 -11.006 1.00 0.00 H new ATOM 0 HA ARG A 64 4.142 -7.288 -12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.992 -5.299 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.053 -4.927 -12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.233 -5.915 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.183 -5.905 -12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.797 -3.860 -13.602 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.622 -3.446 -12.113 1.00 0.00 H new ATOM 0 HE ARG A 64 3.122 -3.746 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.245 -1.940 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.410 -0.648 -12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.614 -2.085 -15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.746 -0.730 -13.964 1.00 0.00 H new ATOM 1043 N ASN A 65 4.796 -7.985 -9.917 1.00 0.00 N ATOM 1044 CA ASN A 65 5.839 -8.216 -8.920 1.00 0.00 C ATOM 1045 C ASN A 65 6.085 -6.985 -8.052 1.00 0.00 C ATOM 1046 O ASN A 65 7.174 -6.816 -7.503 1.00 0.00 O ATOM 1047 CB ASN A 65 7.141 -8.650 -9.599 1.00 0.00 C ATOM 1048 CG ASN A 65 6.976 -9.924 -10.405 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.664 -10.133 -11.405 1.00 0.00 O ATOM 1050 ND2 ASN A 65 6.060 -10.785 -9.975 1.00 0.00 N ATOM 0 H ASN A 65 3.942 -8.520 -9.761 1.00 0.00 H new ATOM 0 HA ASN A 65 5.490 -9.015 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.490 -7.852 -10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.910 -8.800 -8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.905 -11.659 -10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.512 -10.572 -9.142 1.00 0.00 H new ATOM 1057 N LEU A 66 5.076 -6.126 -7.925 1.00 0.00 N ATOM 1058 CA LEU A 66 5.206 -4.931 -7.094 1.00 0.00 C ATOM 1059 C LEU A 66 4.746 -5.244 -5.678 1.00 0.00 C ATOM 1060 O LEU A 66 5.154 -4.594 -4.715 1.00 0.00 O ATOM 1061 CB LEU A 66 4.383 -3.770 -7.647 1.00 0.00 C ATOM 1062 CG LEU A 66 4.472 -3.537 -9.160 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.040 -2.120 -9.489 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.879 -3.785 -9.680 1.00 0.00 C ATOM 0 H LEU A 66 4.170 -6.232 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 66 6.255 -4.634 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.338 -3.937 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.696 -2.857 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 66 3.805 -4.246 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.105 -1.960 -10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.012 -1.968 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.692 -1.413 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.905 -3.611 -10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.574 -3.107 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.167 -4.815 -9.472 1.00 0.00 H new ATOM 1076 N VAL A 67 3.886 -6.249 -5.572 1.00 0.00 N ATOM 1077 CA VAL A 67 3.363 -6.693 -4.289 1.00 0.00 C ATOM 1078 C VAL A 67 3.582 -8.191 -4.125 1.00 0.00 C ATOM 1079 O VAL A 67 3.980 -8.872 -5.070 1.00 0.00 O ATOM 1080 CB VAL A 67 1.861 -6.380 -4.147 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.641 -4.899 -3.893 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.112 -6.824 -5.386 1.00 0.00 C ATOM 0 H VAL A 67 3.533 -6.777 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 67 3.901 -6.151 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 67 1.474 -6.932 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.574 -4.701 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.149 -4.608 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.042 -4.323 -4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.052 -6.597 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.504 -6.298 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.240 -7.898 -5.523 1.00 0.00 H new ATOM 1092 N LEU A 68 3.321 -8.703 -2.930 1.00 0.00 N ATOM 1093 CA LEU A 68 3.500 -10.124 -2.662 1.00 0.00 C ATOM 1094 C LEU A 68 2.234 -10.727 -2.077 1.00 0.00 C ATOM 1095 O LEU A 68 1.627 -10.145 -1.188 1.00 0.00 O ATOM 1096 CB LEU A 68 4.655 -10.335 -1.689 1.00 0.00 C ATOM 1097 CG LEU A 68 5.272 -11.735 -1.718 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.015 -11.966 -3.025 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.198 -11.934 -0.531 1.00 0.00 C ATOM 0 H LEU A 68 2.986 -8.159 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 68 3.724 -10.619 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.434 -9.605 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.302 -10.130 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 68 4.467 -12.467 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.447 -12.967 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.321 -11.869 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.811 -11.228 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.627 -12.935 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.998 -11.194 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.634 -11.815 0.394 1.00 0.00 H new ATOM 1111 N ARG A 69 1.850 -11.898 -2.574 1.00 0.00 N ATOM 1112 CA ARG A 69 0.651 -12.578 -2.084 1.00 0.00 C ATOM 1113 C ARG A 69 1.018 -13.678 -1.101 1.00 0.00 C ATOM 1114 O ARG A 69 2.107 -14.248 -1.171 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.154 -13.170 -3.238 1.00 0.00 C ATOM 1116 CG ARG A 69 0.706 -13.765 -4.335 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.089 -14.721 -5.207 1.00 0.00 C ATOM 1118 NE ARG A 69 0.730 -15.307 -6.264 1.00 0.00 N ATOM 1119 CZ ARG A 69 0.263 -16.151 -7.179 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.016 -16.504 -7.169 1.00 0.00 N ATOM 1121 NH2 ARG A 69 1.074 -16.641 -8.106 1.00 0.00 N ATOM 0 H ARG A 69 2.347 -12.396 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 69 0.038 -11.835 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.817 -13.942 -2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.787 -12.392 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.117 -12.965 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.551 -14.292 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.505 -15.516 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.931 -14.191 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 69 1.717 -15.054 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.643 -16.128 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.372 -17.152 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.057 -16.371 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.715 -17.288 -8.807 1.00 0.00 H new ATOM 1135 N THR A 70 0.104 -13.977 -0.182 1.00 0.00 N ATOM 1136 CA THR A 70 0.373 -15.005 0.809 1.00 0.00 C ATOM 1137 C THR A 70 -0.816 -15.954 1.003 1.00 0.00 C ATOM 1138 O THR A 70 -1.833 -15.855 0.317 1.00 0.00 O ATOM 1139 CB THR A 70 0.793 -14.375 2.152 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.604 -13.224 1.902 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.588 -15.354 3.002 1.00 0.00 C ATOM 0 H THR A 70 -0.810 -13.531 -0.105 1.00 0.00 H new ATOM 0 HA THR A 70 1.201 -15.604 0.429 1.00 0.00 H new ATOM 0 HB THR A 70 -0.113 -14.101 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.068 -12.537 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.868 -14.877 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.979 -16.234 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.488 -15.654 2.465 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.644 -16.882 1.935 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.622 -17.921 2.253 1.00 0.00 C ATOM 1151 C HIS A 71 -3.096 -17.507 2.151 1.00 0.00 C ATOM 1152 O HIS A 71 -3.835 -18.080 1.350 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.370 -18.339 3.690 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.791 -19.706 3.843 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.499 -20.863 3.599 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.450 -20.095 4.216 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.719 -21.908 3.817 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.470 -21.469 4.192 1.00 0.00 N ATOM 0 H HIS A 71 0.199 -16.937 2.506 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.482 -18.709 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.695 -17.618 4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.310 -18.293 4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.272 -19.447 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.005 -22.944 3.707 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.272 -22.055 4.426 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.510 -16.505 2.932 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.924 -16.099 2.884 1.00 0.00 C ATOM 1169 C GLN A 72 -5.246 -15.064 3.974 1.00 0.00 C ATOM 1170 O GLN A 72 -4.736 -15.166 5.090 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.830 -17.325 3.077 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.314 -16.999 3.134 1.00 0.00 C ATOM 1173 CD GLN A 72 -8.174 -18.234 3.318 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.470 -18.637 4.443 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.581 -18.842 2.210 1.00 0.00 N ATOM 0 H GLN A 72 -2.921 -15.979 3.578 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.106 -15.649 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.654 -18.025 2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.545 -17.832 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.499 -16.306 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.606 -16.490 2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.312 -18.473 1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.163 -19.678 2.271 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.096 -14.050 3.675 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.720 -13.863 2.353 1.00 0.00 C ATOM 1186 C PRO A 73 -5.669 -13.661 1.284 1.00 0.00 C ATOM 1187 O PRO A 73 -5.956 -13.708 0.087 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.573 -12.601 2.520 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.760 -12.453 3.991 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.515 -13.005 4.622 1.00 0.00 C ATOM 0 HA PRO A 73 -7.305 -14.728 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.075 -11.729 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.530 -12.701 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.905 -11.407 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.643 -12.996 4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.749 -12.238 4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.713 -13.414 5.613 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.453 -13.446 1.775 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.254 -13.238 0.971 1.00 0.00 C ATOM 1200 C ALA A 74 -2.494 -12.039 1.507 1.00 0.00 C ATOM 1201 O ALA A 74 -2.738 -10.905 1.095 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.560 -13.040 -0.510 1.00 0.00 C ATOM 0 H ALA A 74 -4.269 -13.411 2.778 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.648 -14.141 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.629 -12.890 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.070 -13.922 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.200 -12.166 -0.636 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.581 -12.287 2.440 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.803 -11.202 3.021 1.00 0.00 C ATOM 1210 C ARG A 75 -0.033 -10.487 1.917 1.00 0.00 C ATOM 1211 O ARG A 75 0.628 -11.123 1.097 1.00 0.00 O ATOM 1212 CB ARG A 75 0.153 -11.750 4.084 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.539 -12.607 5.134 1.00 0.00 C ATOM 1214 CD ARG A 75 0.438 -13.534 5.844 1.00 0.00 C ATOM 1215 NE ARG A 75 -0.140 -14.114 7.053 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.517 -14.938 7.864 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.773 -15.274 7.598 1.00 0.00 N ATOM 1218 NH2 ARG A 75 -0.080 -15.425 8.944 1.00 0.00 N ATOM 0 H ARG A 75 -1.364 -13.215 2.805 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.472 -10.489 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.927 -12.341 3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.652 -10.916 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.025 -11.962 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.322 -13.199 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.738 -14.333 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.340 -12.980 6.103 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.103 -13.873 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.237 -14.900 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.275 -15.906 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.045 -15.168 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.425 -16.057 9.565 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.126 -9.161 1.890 1.00 0.00 N ATOM 1233 CA TYR A 76 0.557 -8.404 0.853 1.00 0.00 C ATOM 1234 C TYR A 76 1.766 -7.660 1.391 1.00 0.00 C ATOM 1235 O TYR A 76 1.751 -7.143 2.505 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.415 -7.444 0.165 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.516 -8.159 -0.585 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.217 -9.020 -1.632 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.851 -7.982 -0.242 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.214 -9.685 -2.320 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.856 -8.643 -0.925 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.532 -9.493 -1.962 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.529 -10.153 -2.644 1.00 0.00 O ATOM 0 H TYR A 76 -0.655 -8.601 2.559 1.00 0.00 H new ATOM 0 HA TYR A 76 0.926 -9.117 0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.859 -6.787 0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.138 -6.810 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.186 -9.173 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.108 -7.318 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.963 -10.351 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.889 -8.494 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.400 -9.909 -2.267 1.00 0.00 H new ATOM 1253 N SER A 77 2.815 -7.616 0.578 1.00 0.00 N ATOM 1254 CA SER A 77 4.049 -6.941 0.958 1.00 0.00 C ATOM 1255 C SER A 77 4.716 -6.304 -0.253 1.00 0.00 C ATOM 1256 O SER A 77 4.669 -6.843 -1.359 1.00 0.00 O ATOM 1257 CB SER A 77 5.013 -7.919 1.635 1.00 0.00 C ATOM 1258 OG SER A 77 5.422 -8.938 0.741 1.00 0.00 O ATOM 0 H SER A 77 2.835 -8.040 -0.349 1.00 0.00 H new ATOM 0 HA SER A 77 3.794 -6.153 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.887 -7.379 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.530 -8.366 2.504 1.00 0.00 H new ATOM 0 HG SER A 77 6.038 -9.547 1.199 1.00 0.00 H new ATOM 1264 N LEU A 78 5.334 -5.152 -0.034 1.00 0.00 N ATOM 1265 CA LEU A 78 6.008 -4.424 -1.101 1.00 0.00 C ATOM 1266 C LEU A 78 7.263 -5.141 -1.581 1.00 0.00 C ATOM 1267 O LEU A 78 8.140 -5.477 -0.786 1.00 0.00 O ATOM 1268 CB LEU A 78 6.406 -3.032 -0.617 1.00 0.00 C ATOM 1269 CG LEU A 78 5.276 -2.016 -0.467 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.861 -0.633 -0.249 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.374 -2.018 -1.688 1.00 0.00 C ATOM 0 H LEU A 78 5.383 -4.699 0.878 1.00 0.00 H new ATOM 0 HA LEU A 78 5.305 -4.358 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.903 -3.135 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.141 -2.626 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 78 4.672 -2.294 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.053 0.091 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.470 -0.634 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.481 -0.361 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.578 -1.285 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.958 -1.762 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.937 -3.008 -1.816 1.00 0.00 H new ATOM 1283 N THR A 79 7.343 -5.371 -2.888 1.00 0.00 N ATOM 1284 CA THR A 79 8.520 -5.998 -3.459 1.00 0.00 C ATOM 1285 C THR A 79 9.501 -4.896 -3.880 1.00 0.00 C ATOM 1286 O THR A 79 9.197 -3.722 -3.692 1.00 0.00 O ATOM 1287 CB THR A 79 8.131 -6.882 -4.660 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.731 -6.763 -4.917 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.470 -8.342 -4.400 1.00 0.00 C ATOM 0 H THR A 79 6.614 -5.134 -3.561 1.00 0.00 H new ATOM 0 HA THR A 79 8.995 -6.644 -2.720 1.00 0.00 H new ATOM 0 HB THR A 79 8.699 -6.542 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.527 -7.141 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.184 -8.941 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.542 -8.442 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.927 -8.691 -3.521 1.00 0.00 H new ATOM 1297 N PRO A 80 10.682 -5.227 -4.439 1.00 0.00 N ATOM 1298 CA PRO A 80 11.659 -4.210 -4.851 1.00 0.00 C ATOM 1299 C PRO A 80 11.040 -3.031 -5.596 1.00 0.00 C ATOM 1300 O PRO A 80 11.301 -1.875 -5.262 1.00 0.00 O ATOM 1301 CB PRO A 80 12.574 -4.995 -5.783 1.00 0.00 C ATOM 1302 CG PRO A 80 12.579 -6.369 -5.215 1.00 0.00 C ATOM 1303 CD PRO A 80 11.191 -6.595 -4.677 1.00 0.00 C ATOM 0 HA PRO A 80 12.152 -3.754 -3.992 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.200 -4.988 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.577 -4.570 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.828 -7.107 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.325 -6.463 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.568 -7.136 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.208 -7.182 -3.759 1.00 0.00 H new ATOM 1311 N GLU A 81 10.222 -3.318 -6.598 1.00 0.00 N ATOM 1312 CA GLU A 81 9.587 -2.263 -7.378 1.00 0.00 C ATOM 1313 C GLU A 81 8.571 -1.485 -6.545 1.00 0.00 C ATOM 1314 O GLU A 81 8.594 -0.255 -6.523 1.00 0.00 O ATOM 1315 CB GLU A 81 8.909 -2.851 -8.611 1.00 0.00 C ATOM 1316 CG GLU A 81 9.879 -3.381 -9.654 1.00 0.00 C ATOM 1317 CD GLU A 81 10.736 -4.519 -9.138 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.228 -5.657 -9.062 1.00 0.00 O ATOM 1319 OE2 GLU A 81 11.916 -4.273 -8.813 1.00 0.00 O ATOM 0 H GLU A 81 9.983 -4.266 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 81 10.367 -1.569 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.249 -3.660 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.282 -2.086 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.318 -3.721 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.525 -2.569 -9.988 1.00 0.00 H new ATOM 1326 N GLY A 82 7.681 -2.203 -5.865 1.00 0.00 N ATOM 1327 CA GLY A 82 6.689 -1.519 -5.049 1.00 0.00 C ATOM 1328 C GLY A 82 7.328 -0.684 -3.965 1.00 0.00 C ATOM 1329 O GLY A 82 6.772 0.325 -3.540 1.00 0.00 O ATOM 0 H GLY A 82 7.627 -3.222 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.075 -0.881 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.023 -2.253 -4.596 1.00 0.00 H new ATOM 1333 N LEU A 83 8.502 -1.113 -3.513 1.00 0.00 N ATOM 1334 CA LEU A 83 9.227 -0.396 -2.477 1.00 0.00 C ATOM 1335 C LEU A 83 9.720 0.934 -3.021 1.00 0.00 C ATOM 1336 O LEU A 83 9.504 1.985 -2.419 1.00 0.00 O ATOM 1337 CB LEU A 83 10.415 -1.225 -1.985 1.00 0.00 C ATOM 1338 CG LEU A 83 10.566 -1.326 -0.463 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.656 0.054 0.169 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.408 -2.101 0.135 1.00 0.00 C ATOM 0 H LEU A 83 8.970 -1.955 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 83 8.553 -0.217 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.325 -2.233 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.329 -0.796 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 83 11.493 -1.860 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.763 -0.047 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.520 0.583 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.750 0.617 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.531 -2.163 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.472 -1.592 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.387 -3.106 -0.286 1.00 0.00 H new ATOM 1352 N GLU A 84 10.384 0.873 -4.170 1.00 0.00 N ATOM 1353 CA GLU A 84 10.906 2.084 -4.795 1.00 0.00 C ATOM 1354 C GLU A 84 9.773 3.036 -5.129 1.00 0.00 C ATOM 1355 O GLU A 84 9.806 4.209 -4.763 1.00 0.00 O ATOM 1356 CB GLU A 84 11.682 1.746 -6.069 1.00 0.00 C ATOM 1357 CG GLU A 84 12.881 0.849 -5.831 1.00 0.00 C ATOM 1358 CD GLU A 84 13.640 0.538 -7.107 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.302 -0.465 -7.769 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.572 1.299 -7.443 1.00 0.00 O ATOM 0 H GLU A 84 10.572 0.011 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 84 11.582 2.563 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.010 1.259 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.019 2.672 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.554 1.329 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.548 -0.083 -5.375 1.00 0.00 H new ATOM 1367 N LEU A 85 8.769 2.513 -5.819 1.00 0.00 N ATOM 1368 CA LEU A 85 7.628 3.320 -6.201 1.00 0.00 C ATOM 1369 C LEU A 85 6.962 3.915 -4.969 1.00 0.00 C ATOM 1370 O LEU A 85 6.662 5.104 -4.932 1.00 0.00 O ATOM 1371 CB LEU A 85 6.629 2.466 -6.981 1.00 0.00 C ATOM 1372 CG LEU A 85 6.426 2.870 -8.441 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.506 1.883 -9.142 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.864 4.282 -8.534 1.00 0.00 C ATOM 0 H LEU A 85 8.725 1.540 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 85 7.971 4.137 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.962 1.428 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.666 2.507 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 85 7.395 2.854 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.372 2.185 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.947 0.887 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.538 1.868 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.727 4.551 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.904 4.326 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.558 4.981 -8.068 1.00 0.00 H new ATOM 1386 N ALA A 86 6.751 3.082 -3.955 1.00 0.00 N ATOM 1387 CA ALA A 86 6.113 3.538 -2.725 1.00 0.00 C ATOM 1388 C ALA A 86 6.829 4.754 -2.156 1.00 0.00 C ATOM 1389 O ALA A 86 6.188 5.708 -1.718 1.00 0.00 O ATOM 1390 CB ALA A 86 6.067 2.422 -1.698 1.00 0.00 C ATOM 0 H ALA A 86 7.010 2.095 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 86 5.091 3.828 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.587 2.784 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.499 1.582 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.082 2.097 -1.468 1.00 0.00 H new ATOM 1396 N GLN A 87 8.158 4.715 -2.154 1.00 0.00 N ATOM 1397 CA GLN A 87 8.936 5.840 -1.654 1.00 0.00 C ATOM 1398 C GLN A 87 8.555 7.094 -2.424 1.00 0.00 C ATOM 1399 O GLN A 87 8.521 8.197 -1.878 1.00 0.00 O ATOM 1400 CB GLN A 87 10.435 5.571 -1.805 1.00 0.00 C ATOM 1401 CG GLN A 87 10.940 4.428 -0.941 1.00 0.00 C ATOM 1402 CD GLN A 87 12.425 4.174 -1.117 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.835 3.386 -1.970 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.240 4.842 -0.309 1.00 0.00 N ATOM 0 H GLN A 87 8.712 3.927 -2.489 1.00 0.00 H new ATOM 0 HA GLN A 87 8.719 5.978 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.652 5.348 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.985 6.477 -1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.735 4.651 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.389 3.521 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.857 5.485 0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.249 4.712 -0.381 1.00 0.00 H new ATOM 1413 N LYS A 88 8.266 6.899 -3.706 1.00 0.00 N ATOM 1414 CA LYS A 88 7.870 7.999 -4.572 1.00 0.00 C ATOM 1415 C LYS A 88 6.473 8.490 -4.209 1.00 0.00 C ATOM 1416 O LYS A 88 6.252 9.686 -4.024 1.00 0.00 O ATOM 1417 CB LYS A 88 7.901 7.542 -6.026 1.00 0.00 C ATOM 1418 CG LYS A 88 9.143 6.738 -6.376 1.00 0.00 C ATOM 1419 CD LYS A 88 9.137 6.278 -7.826 1.00 0.00 C ATOM 1420 CE LYS A 88 10.259 5.286 -8.099 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.271 4.839 -9.519 1.00 0.00 N ATOM 0 H LYS A 88 8.299 5.989 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 88 8.571 8.823 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.016 6.938 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.847 8.416 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.030 7.344 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.209 5.869 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.177 5.817 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.244 7.141 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.217 5.745 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.145 4.420 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.049 4.165 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.367 4.378 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.405 5.662 -10.141 1.00 0.00 H new ATOM 1435 N LEU A 89 5.531 7.558 -4.120 1.00 0.00 N ATOM 1436 CA LEU A 89 4.165 7.897 -3.761 1.00 0.00 C ATOM 1437 C LEU A 89 4.144 8.593 -2.410 1.00 0.00 C ATOM 1438 O LEU A 89 3.232 9.357 -2.095 1.00 0.00 O ATOM 1439 CB LEU A 89 3.316 6.628 -3.704 1.00 0.00 C ATOM 1440 CG LEU A 89 2.874 6.074 -5.061 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.071 5.746 -5.938 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.008 4.840 -4.870 1.00 0.00 C ATOM 0 H LEU A 89 5.690 6.565 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 89 3.754 8.569 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.881 5.856 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.427 6.832 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 89 2.289 6.844 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.725 5.355 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.657 6.649 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.691 4.998 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.701 4.457 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.577 4.075 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.124 5.102 -4.288 1.00 0.00 H new ATOM 1454 N ALA A 90 5.171 8.311 -1.621 1.00 0.00 N ATOM 1455 CA ALA A 90 5.296 8.891 -0.289 1.00 0.00 C ATOM 1456 C ALA A 90 5.744 10.348 -0.351 1.00 0.00 C ATOM 1457 O ALA A 90 5.411 11.144 0.525 1.00 0.00 O ATOM 1458 CB ALA A 90 6.267 8.071 0.542 1.00 0.00 C ATOM 0 H ALA A 90 5.932 7.683 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 90 4.314 8.871 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.356 8.510 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.899 7.049 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.244 8.065 0.059 1.00 0.00 H new ATOM 1464 N GLU A 91 6.504 10.687 -1.387 1.00 0.00 N ATOM 1465 CA GLU A 91 6.990 12.054 -1.558 1.00 0.00 C ATOM 1466 C GLU A 91 5.826 13.028 -1.529 1.00 0.00 C ATOM 1467 O GLU A 91 5.890 14.086 -0.902 1.00 0.00 O ATOM 1468 CB GLU A 91 7.744 12.201 -2.877 1.00 0.00 C ATOM 1469 CG GLU A 91 8.723 11.077 -3.129 1.00 0.00 C ATOM 1470 CD GLU A 91 9.424 11.198 -4.468 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.827 10.797 -5.489 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.569 11.697 -4.495 1.00 0.00 O ATOM 0 H GLU A 91 6.796 10.039 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 91 7.672 12.277 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.026 12.240 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.281 13.150 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.468 11.065 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.195 10.125 -3.085 1.00 0.00 H new ATOM 1479 N SER A 92 4.760 12.653 -2.223 1.00 0.00 N ATOM 1480 CA SER A 92 3.561 13.472 -2.290 1.00 0.00 C ATOM 1481 C SER A 92 2.960 13.677 -0.902 1.00 0.00 C ATOM 1482 O SER A 92 2.306 14.687 -0.641 1.00 0.00 O ATOM 1483 CB SER A 92 2.547 12.807 -3.216 1.00 0.00 C ATOM 1484 OG SER A 92 1.374 13.592 -3.344 1.00 0.00 O ATOM 0 H SER A 92 4.703 11.781 -2.750 1.00 0.00 H new ATOM 0 HA SER A 92 3.826 14.453 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.994 12.654 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.288 11.822 -2.827 1.00 0.00 H new ATOM 0 HG SER A 92 0.743 13.142 -3.944 1.00 0.00 H new ATOM 1490 N GLU A 93 3.187 12.710 -0.016 1.00 0.00 N ATOM 1491 CA GLU A 93 2.674 12.787 1.343 1.00 0.00 C ATOM 1492 C GLU A 93 3.730 13.367 2.271 1.00 0.00 C ATOM 1493 O GLU A 93 3.508 13.507 3.474 1.00 0.00 O ATOM 1494 CB GLU A 93 2.296 11.391 1.832 1.00 0.00 C ATOM 1495 CG GLU A 93 1.544 10.564 0.806 1.00 0.00 C ATOM 1496 CD GLU A 93 0.127 11.053 0.581 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.785 10.579 1.292 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.072 11.910 -0.305 1.00 0.00 O ATOM 0 H GLU A 93 3.723 11.866 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 93 1.795 13.431 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.203 10.859 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.684 11.484 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.086 10.587 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.517 9.525 1.133 1.00 0.00 H new ATOM 1505 N GLY A 94 4.881 13.704 1.699 1.00 0.00 N ATOM 1506 CA GLY A 94 5.959 14.228 2.510 1.00 0.00 C ATOM 1507 C GLY A 94 6.681 13.106 3.220 1.00 0.00 C ATOM 1508 O GLY A 94 7.607 13.333 3.998 1.00 0.00 O ATOM 0 H GLY A 94 5.083 13.625 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.659 14.779 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.563 14.933 3.241 1.00 0.00 H new ATOM 1512 N LEU A 95 6.232 11.883 2.940 1.00 0.00 N ATOM 1513 CA LEU A 95 6.807 10.685 3.532 1.00 0.00 C ATOM 1514 C LEU A 95 6.643 10.706 5.047 1.00 0.00 C ATOM 1515 O LEU A 95 7.384 10.048 5.776 1.00 0.00 O ATOM 1516 CB LEU A 95 8.285 10.557 3.158 1.00 0.00 C ATOM 1517 CG LEU A 95 8.727 9.162 2.700 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.242 9.042 2.743 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.075 8.076 3.546 1.00 0.00 C ATOM 0 H LEU A 95 5.461 11.699 2.298 1.00 0.00 H new ATOM 0 HA LEU A 95 6.275 9.819 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.504 11.269 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.887 10.846 4.019 1.00 0.00 H new ATOM 0 HG LEU A 95 8.400 9.024 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.538 8.046 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.685 9.788 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.591 9.207 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.406 7.097 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.361 8.207 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.991 8.146 3.455 1.00 0.00 H new ATOM 1531 N SER A 96 5.653 11.463 5.508 1.00 0.00 N ATOM 1532 CA SER A 96 5.372 11.579 6.932 1.00 0.00 C ATOM 1533 C SER A 96 4.332 10.551 7.362 1.00 0.00 C ATOM 1534 O SER A 96 3.540 10.800 8.272 1.00 0.00 O ATOM 1535 CB SER A 96 4.880 12.989 7.254 1.00 0.00 C ATOM 1536 OG SER A 96 5.876 13.956 6.970 1.00 0.00 O ATOM 0 H SER A 96 5.030 12.007 4.912 1.00 0.00 H new ATOM 0 HA SER A 96 6.293 11.387 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.983 13.206 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.601 13.048 8.306 1.00 0.00 H new ATOM 0 HG SER A 96 5.535 14.850 7.183 1.00 0.00 H new ATOM 1542 N LEU A 97 4.347 9.393 6.712 1.00 0.00 N ATOM 1543 CA LEU A 97 3.399 8.340 7.043 1.00 0.00 C ATOM 1544 C LEU A 97 3.785 7.666 8.355 1.00 0.00 C ATOM 1545 O LEU A 97 3.191 7.936 9.399 1.00 0.00 O ATOM 1546 CB LEU A 97 3.330 7.303 5.918 1.00 0.00 C ATOM 1547 CG LEU A 97 2.813 7.825 4.574 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.860 8.695 3.889 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.410 6.668 3.675 1.00 0.00 C ATOM 0 H LEU A 97 4.998 9.162 5.961 1.00 0.00 H new ATOM 0 HA LEU A 97 2.414 8.793 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.327 6.888 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.688 6.483 6.241 1.00 0.00 H new ATOM 0 HG LEU A 97 1.933 8.440 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.469 9.053 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.099 9.546 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.762 8.109 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.045 7.056 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.274 6.027 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.622 6.090 4.157 1.00 0.00 H new ATOM 1561 N LEU A 98 4.783 6.790 8.297 1.00 0.00 N ATOM 1562 CA LEU A 98 5.239 6.097 9.499 1.00 0.00 C ATOM 1563 C LEU A 98 6.309 6.916 10.219 1.00 0.00 C ATOM 1564 O LEU A 98 7.025 7.700 9.596 1.00 0.00 O ATOM 1565 CB LEU A 98 5.792 4.716 9.146 1.00 0.00 C ATOM 1566 CG LEU A 98 6.112 3.821 10.345 1.00 0.00 C ATOM 1567 CD1 LEU A 98 4.840 3.456 11.096 1.00 0.00 C ATOM 1568 CD2 LEU A 98 6.846 2.567 9.894 1.00 0.00 C ATOM 0 H LEU A 98 5.286 6.545 7.444 1.00 0.00 H new ATOM 0 HA LEU A 98 4.384 5.975 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.069 4.203 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.699 4.845 8.556 1.00 0.00 H new ATOM 0 HG LEU A 98 6.762 4.375 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.089 2.819 11.945 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.355 4.364 11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.164 2.922 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.065 1.943 10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.221 2.011 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.778 2.848 9.404 1.00 0.00 H new ATOM 1580 N ASN A 99 6.410 6.726 11.533 1.00 0.00 N ATOM 1581 CA ASN A 99 7.388 7.446 12.346 1.00 0.00 C ATOM 1582 C ASN A 99 7.204 8.956 12.217 1.00 0.00 C ATOM 1583 O ASN A 99 7.715 9.575 11.284 1.00 0.00 O ATOM 1584 CB ASN A 99 8.815 7.060 11.946 1.00 0.00 C ATOM 1585 CG ASN A 99 9.123 5.602 12.223 1.00 0.00 C ATOM 1586 OD1 ASN A 99 9.546 5.243 13.323 1.00 0.00 O ATOM 1587 ND2 ASN A 99 8.922 4.753 11.222 1.00 0.00 N ATOM 0 H ASN A 99 5.824 6.077 12.059 1.00 0.00 H new ATOM 0 HA ASN A 99 7.224 7.164 13.386 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.958 7.263 10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.523 7.687 12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.119 3.760 11.348 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.570 5.094 10.327 1.00 0.00 H new ATOM 1594 N VAL A 100 6.469 9.541 13.158 1.00 0.00 N ATOM 1595 CA VAL A 100 6.220 10.980 13.150 1.00 0.00 C ATOM 1596 C VAL A 100 6.169 11.541 14.567 1.00 0.00 C ATOM 1597 O VAL A 100 6.560 12.684 14.805 1.00 0.00 O ATOM 1598 CB VAL A 100 4.900 11.320 12.430 1.00 0.00 C ATOM 1599 CG1 VAL A 100 4.984 10.959 10.955 1.00 0.00 C ATOM 1600 CG2 VAL A 100 3.729 10.609 13.092 1.00 0.00 C ATOM 0 H VAL A 100 6.036 9.042 13.935 1.00 0.00 H new ATOM 0 HA VAL A 100 7.049 11.438 12.611 1.00 0.00 H new ATOM 0 HB VAL A 100 4.735 12.395 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.042 11.207 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.794 11.520 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.176 9.891 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.807 10.862 12.569 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.886 9.531 13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.654 10.924 14.133 1.00 0.00 H new ATOM 1610 N GLY A 101 5.689 10.731 15.504 1.00 0.00 N ATOM 1611 CA GLY A 101 5.595 11.169 16.884 1.00 0.00 C ATOM 1612 C GLY A 101 6.750 10.676 17.733 1.00 0.00 C ATOM 1613 O GLY A 101 7.868 10.518 17.242 1.00 0.00 O ATOM 0 H GLY A 101 5.364 9.780 15.333 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.566 12.258 16.914 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.657 10.813 17.311 1.00 0.00 H new ATOM 1617 N ILE A 102 6.478 10.431 19.011 1.00 0.00 N ATOM 1618 CA ILE A 102 7.502 9.953 19.933 1.00 0.00 C ATOM 1619 C ILE A 102 8.050 8.595 19.503 1.00 0.00 C ATOM 1620 O ILE A 102 7.560 7.991 18.548 1.00 0.00 O ATOM 1621 CB ILE A 102 6.963 9.857 21.377 1.00 0.00 C ATOM 1622 CG1 ILE A 102 5.585 9.182 21.409 1.00 0.00 C ATOM 1623 CG2 ILE A 102 6.890 11.241 22.004 1.00 0.00 C ATOM 1624 CD1 ILE A 102 5.621 7.690 21.151 1.00 0.00 C ATOM 0 H ILE A 102 5.557 10.556 19.431 1.00 0.00 H new ATOM 0 HA ILE A 102 8.311 10.683 19.908 1.00 0.00 H new ATOM 0 HB ILE A 102 7.652 9.243 21.957 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.127 9.361 22.382 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.944 9.653 20.664 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.509 11.160 23.022 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.886 11.684 22.024 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.224 11.872 21.416 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.608 7.289 21.191 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.047 7.501 20.166 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.233 7.204 21.911 1.00 0.00 H new ATOM 1636 N GLY A 103 9.068 8.121 20.214 1.00 0.00 N ATOM 1637 CA GLY A 103 9.664 6.839 19.890 1.00 0.00 C ATOM 1638 C GLY A 103 11.132 6.771 20.260 1.00 0.00 C ATOM 1639 O GLY A 103 11.438 6.368 21.402 1.00 0.00 O ATOM 1640 OXT GLY A 103 11.976 7.123 19.410 1.00 0.00 O ATOM 0 H GLY A 103 9.490 8.602 21.008 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.124 6.049 20.412 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.553 6.650 18.822 1.00 0.00 H new TER 1644 GLY A 103