USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ -124:sc= 0.125 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 1.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0.864 (180deg=0.781) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00462) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -81:sc= 1.54 USER MOD Single : A 51 THR OG1 : rot 30:sc= 0.282 USER MOD Single : A 52 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.014) USER MOD Single : A 54 THR OG1 : rot 39:sc= 0.0271 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 76 ASN : amide:sc= 0.0711 X(o=0.071,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0151 F(o=-1.8!,f=-0.015) USER MOD Single : A 90 ASN : amide:sc= 0.487 X(o=0.49,f=-0.01) USER MOD Single : A 91 SER OG : rot 82:sc= 0.183 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.738 -7.890 -27.158 1.00 0.00 N ATOM 2 CA GLY A 1 -9.171 -7.603 -27.319 1.00 0.00 C ATOM 3 C GLY A 1 -9.894 -7.873 -26.008 1.00 0.00 C ATOM 4 O GLY A 1 -9.272 -8.053 -24.959 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.184 -7.047 -27.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.544 -8.145 -26.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.471 -8.681 -27.778 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.313 -6.564 -27.618 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.590 -8.223 -28.112 1.00 0.00 H new ATOM 8 N SER A 2 -11.227 -7.936 -26.027 1.00 0.00 N ATOM 9 CA SER A 2 -12.080 -8.067 -24.845 1.00 0.00 C ATOM 10 C SER A 2 -11.802 -6.975 -23.795 1.00 0.00 C ATOM 11 O SER A 2 -11.898 -7.235 -22.591 1.00 0.00 O ATOM 12 CB SER A 2 -12.064 -9.515 -24.313 1.00 0.00 C ATOM 13 OG SER A 2 -10.755 -10.012 -24.062 1.00 0.00 O ATOM 0 H SER A 2 -11.760 -7.896 -26.896 1.00 0.00 H new ATOM 0 HA SER A 2 -13.113 -7.880 -25.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.645 -9.562 -23.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.559 -10.165 -25.035 1.00 0.00 H new ATOM 0 HG SER A 2 -10.121 -9.265 -24.039 1.00 0.00 H new ATOM 19 N SER A 3 -11.462 -5.756 -24.237 1.00 0.00 N ATOM 20 CA SER A 3 -11.318 -4.591 -23.374 1.00 0.00 C ATOM 21 C SER A 3 -12.605 -4.402 -22.562 1.00 0.00 C ATOM 22 O SER A 3 -13.680 -4.148 -23.113 1.00 0.00 O ATOM 23 CB SER A 3 -10.973 -3.350 -24.209 1.00 0.00 C ATOM 24 OG SER A 3 -9.623 -3.410 -24.647 1.00 0.00 O ATOM 0 H SER A 3 -11.278 -5.556 -25.220 1.00 0.00 H new ATOM 0 HA SER A 3 -10.496 -4.743 -22.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.639 -3.286 -25.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.130 -2.449 -23.616 1.00 0.00 H new ATOM 0 HG SER A 3 -9.416 -2.614 -25.180 1.00 0.00 H new ATOM 30 N GLY A 4 -12.495 -4.565 -21.249 1.00 0.00 N ATOM 31 CA GLY A 4 -13.604 -4.665 -20.320 1.00 0.00 C ATOM 32 C GLY A 4 -13.012 -5.328 -19.094 1.00 0.00 C ATOM 33 O GLY A 4 -13.031 -6.556 -18.984 1.00 0.00 O ATOM 0 H GLY A 4 -11.588 -4.634 -20.787 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.012 -3.683 -20.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.419 -5.257 -20.737 1.00 0.00 H new ATOM 37 N SER A 5 -12.336 -4.526 -18.277 1.00 0.00 N ATOM 38 CA SER A 5 -11.274 -4.970 -17.391 1.00 0.00 C ATOM 39 C SER A 5 -11.439 -4.258 -16.045 1.00 0.00 C ATOM 40 O SER A 5 -11.002 -3.115 -15.893 1.00 0.00 O ATOM 41 CB SER A 5 -9.924 -4.650 -18.060 1.00 0.00 C ATOM 42 OG SER A 5 -9.856 -5.094 -19.416 1.00 0.00 O ATOM 0 H SER A 5 -12.519 -3.525 -18.214 1.00 0.00 H new ATOM 0 HA SER A 5 -11.315 -6.044 -17.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.754 -3.574 -18.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.122 -5.118 -17.489 1.00 0.00 H new ATOM 0 HG SER A 5 -8.981 -4.864 -19.792 1.00 0.00 H new ATOM 48 N SER A 6 -12.099 -4.911 -15.089 1.00 0.00 N ATOM 49 CA SER A 6 -12.403 -4.402 -13.757 1.00 0.00 C ATOM 50 C SER A 6 -12.062 -5.453 -12.698 1.00 0.00 C ATOM 51 O SER A 6 -12.844 -6.384 -12.466 1.00 0.00 O ATOM 52 CB SER A 6 -13.885 -4.030 -13.688 1.00 0.00 C ATOM 53 OG SER A 6 -14.146 -2.823 -14.384 1.00 0.00 O ATOM 0 H SER A 6 -12.453 -5.857 -15.232 1.00 0.00 H new ATOM 0 HA SER A 6 -11.801 -3.515 -13.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.484 -4.835 -14.114 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.187 -3.924 -12.646 1.00 0.00 H new ATOM 0 HG SER A 6 -15.101 -2.611 -14.324 1.00 0.00 H new ATOM 59 N GLY A 7 -10.908 -5.310 -12.044 1.00 0.00 N ATOM 60 CA GLY A 7 -10.608 -6.027 -10.809 1.00 0.00 C ATOM 61 C GLY A 7 -9.549 -7.106 -10.974 1.00 0.00 C ATOM 62 O GLY A 7 -9.723 -8.221 -10.474 1.00 0.00 O ATOM 0 H GLY A 7 -10.158 -4.694 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.273 -5.313 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.523 -6.483 -10.432 1.00 0.00 H new ATOM 66 N GLU A 8 -8.447 -6.782 -11.644 1.00 0.00 N ATOM 67 CA GLU A 8 -7.138 -7.292 -11.265 1.00 0.00 C ATOM 68 C GLU A 8 -6.204 -6.086 -11.202 1.00 0.00 C ATOM 69 O GLU A 8 -6.477 -5.045 -11.814 1.00 0.00 O ATOM 70 CB GLU A 8 -6.629 -8.379 -12.230 1.00 0.00 C ATOM 71 CG GLU A 8 -7.242 -9.759 -11.929 1.00 0.00 C ATOM 72 CD GLU A 8 -6.219 -10.888 -12.052 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.544 -11.196 -11.041 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.089 -11.475 -13.150 1.00 0.00 O ATOM 0 H GLU A 8 -8.438 -6.165 -12.456 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.187 -7.790 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.868 -8.093 -13.254 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.543 -8.443 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.658 -9.757 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.068 -9.944 -12.615 1.00 0.00 H new ATOM 81 N TYR A 9 -5.119 -6.215 -10.445 1.00 0.00 N ATOM 82 CA TYR A 9 -4.025 -5.255 -10.422 1.00 0.00 C ATOM 83 C TYR A 9 -3.034 -5.630 -11.538 1.00 0.00 C ATOM 84 O TYR A 9 -3.200 -6.651 -12.212 1.00 0.00 O ATOM 85 CB TYR A 9 -3.364 -5.256 -9.033 1.00 0.00 C ATOM 86 CG TYR A 9 -4.287 -5.034 -7.840 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.896 -6.126 -7.188 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.509 -3.731 -7.354 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.715 -5.918 -6.061 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.326 -3.514 -6.229 1.00 0.00 C ATOM 91 CZ TYR A 9 -5.921 -4.609 -5.569 1.00 0.00 C ATOM 92 OH TYR A 9 -6.702 -4.401 -4.476 1.00 0.00 O ATOM 0 H TYR A 9 -4.974 -7.007 -9.818 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.386 -4.243 -10.603 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.856 -6.211 -8.898 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.597 -4.482 -9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.733 -7.129 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.048 -2.890 -7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.186 -6.759 -5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.497 -2.509 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.655 -5.183 -3.887 1.00 0.00 H new ATOM 102 N LYS A 10 -1.974 -4.846 -11.733 1.00 0.00 N ATOM 103 CA LYS A 10 -0.834 -5.208 -12.578 1.00 0.00 C ATOM 104 C LYS A 10 0.449 -4.748 -11.887 1.00 0.00 C ATOM 105 O LYS A 10 0.349 -4.024 -10.895 1.00 0.00 O ATOM 106 CB LYS A 10 -0.987 -4.600 -13.980 1.00 0.00 C ATOM 107 CG LYS A 10 -0.888 -3.061 -14.002 1.00 0.00 C ATOM 108 CD LYS A 10 -0.195 -2.606 -15.289 1.00 0.00 C ATOM 109 CE LYS A 10 0.231 -1.145 -15.150 1.00 0.00 C ATOM 110 NZ LYS A 10 1.042 -0.729 -16.308 1.00 0.00 N ATOM 0 H LYS A 10 -1.881 -3.926 -11.302 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.790 -6.289 -12.711 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.218 -5.014 -14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.950 -4.899 -14.393 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.884 -2.622 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.330 -2.711 -13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.675 -3.232 -15.487 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.870 -2.720 -16.138 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.651 -0.509 -15.070 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.804 -1.013 -14.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.322 0.266 -16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.893 -1.324 -16.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.484 -0.836 -17.179 1.00 0.00 H new ATOM 124 N ALA A 11 1.628 -5.113 -12.404 1.00 0.00 N ATOM 125 CA ALA A 11 2.877 -4.575 -11.879 1.00 0.00 C ATOM 126 C ALA A 11 2.889 -3.061 -12.083 1.00 0.00 C ATOM 127 O ALA A 11 2.391 -2.554 -13.094 1.00 0.00 O ATOM 128 CB ALA A 11 4.097 -5.230 -12.532 1.00 0.00 C ATOM 0 H ALA A 11 1.738 -5.771 -13.176 1.00 0.00 H new ATOM 0 HA ALA A 11 2.937 -4.800 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.008 -4.801 -12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.080 -6.303 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.073 -5.052 -13.607 1.00 0.00 H new ATOM 134 N GLY A 12 3.466 -2.339 -11.124 1.00 0.00 N ATOM 135 CA GLY A 12 3.450 -0.885 -11.139 1.00 0.00 C ATOM 136 C GLY A 12 2.140 -0.302 -10.607 1.00 0.00 C ATOM 137 O GLY A 12 1.871 0.878 -10.850 1.00 0.00 O ATOM 0 H GLY A 12 3.952 -2.744 -10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.279 -0.511 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.611 -0.535 -12.159 1.00 0.00 H new ATOM 141 N ASP A 13 1.325 -1.092 -9.896 1.00 0.00 N ATOM 142 CA ASP A 13 0.273 -0.555 -9.034 1.00 0.00 C ATOM 143 C ASP A 13 0.790 -0.517 -7.595 1.00 0.00 C ATOM 144 O ASP A 13 1.715 -1.250 -7.228 1.00 0.00 O ATOM 145 CB ASP A 13 -1.038 -1.357 -9.125 1.00 0.00 C ATOM 146 CG ASP A 13 -2.279 -0.497 -8.852 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.177 0.628 -8.311 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.384 -0.913 -9.275 1.00 0.00 O ATOM 0 H ASP A 13 1.378 -2.111 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 13 0.033 0.452 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.120 -1.800 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.006 -2.179 -8.410 1.00 0.00 H new ATOM 153 N LEU A 14 0.186 0.333 -6.771 1.00 0.00 N ATOM 154 CA LEU A 14 0.534 0.588 -5.377 1.00 0.00 C ATOM 155 C LEU A 14 -0.681 0.189 -4.553 1.00 0.00 C ATOM 156 O LEU A 14 -1.799 0.535 -4.951 1.00 0.00 O ATOM 157 CB LEU A 14 0.871 2.076 -5.168 1.00 0.00 C ATOM 158 CG LEU A 14 1.958 2.647 -6.101 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.207 4.117 -5.748 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.271 1.861 -6.006 1.00 0.00 C ATOM 0 H LEU A 14 -0.607 0.896 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 14 1.414 0.019 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.040 2.659 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.192 2.217 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 14 1.599 2.560 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.975 4.524 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.284 4.683 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.539 4.191 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.007 2.299 -6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.646 1.902 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.095 0.823 -6.287 1.00 0.00 H new ATOM 172 N VAL A 15 -0.502 -0.545 -3.450 1.00 0.00 N ATOM 173 CA VAL A 15 -1.596 -1.205 -2.727 1.00 0.00 C ATOM 174 C VAL A 15 -1.287 -1.262 -1.224 1.00 0.00 C ATOM 175 O VAL A 15 -0.180 -0.923 -0.804 1.00 0.00 O ATOM 176 CB VAL A 15 -1.847 -2.606 -3.341 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.258 -2.479 -4.819 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.639 -3.551 -3.233 1.00 0.00 C ATOM 0 H VAL A 15 0.414 -0.700 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.515 -0.629 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.654 -3.047 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.430 -3.472 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.172 -1.890 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.462 -1.985 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.888 -4.512 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.212 -3.115 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.384 -3.697 -2.183 1.00 0.00 H new ATOM 188 N PHE A 16 -2.234 -1.675 -0.380 1.00 0.00 N ATOM 189 CA PHE A 16 -1.928 -2.110 0.981 1.00 0.00 C ATOM 190 C PHE A 16 -1.989 -3.630 1.008 1.00 0.00 C ATOM 191 O PHE A 16 -2.870 -4.226 0.376 1.00 0.00 O ATOM 192 CB PHE A 16 -2.870 -1.497 2.029 1.00 0.00 C ATOM 193 CG PHE A 16 -2.733 0.002 2.172 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.791 0.542 3.065 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.531 0.862 1.395 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.651 1.933 3.191 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.392 2.254 1.519 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.451 2.790 2.415 1.00 0.00 C ATOM 0 H PHE A 16 -3.225 -1.717 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.931 -1.760 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.900 -1.734 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.676 -1.964 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.172 -0.116 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.251 0.451 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.930 2.344 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.008 2.913 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.342 3.861 2.507 1.00 0.00 H new ATOM 208 N ALA A 17 -1.080 -4.240 1.765 1.00 0.00 N ATOM 209 CA ALA A 17 -1.053 -5.661 2.069 1.00 0.00 C ATOM 210 C ALA A 17 -1.388 -5.863 3.544 1.00 0.00 C ATOM 211 O ALA A 17 -1.285 -4.925 4.335 1.00 0.00 O ATOM 212 CB ALA A 17 0.327 -6.228 1.717 1.00 0.00 C ATOM 0 H ALA A 17 -0.310 -3.732 2.200 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.796 -6.195 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.351 -7.294 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.522 -6.078 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.091 -5.715 2.302 1.00 0.00 H new ATOM 218 N LYS A 18 -1.781 -7.079 3.927 1.00 0.00 N ATOM 219 CA LYS A 18 -2.254 -7.369 5.272 1.00 0.00 C ATOM 220 C LYS A 18 -1.787 -8.750 5.672 1.00 0.00 C ATOM 221 O LYS A 18 -2.289 -9.753 5.165 1.00 0.00 O ATOM 222 CB LYS A 18 -3.787 -7.248 5.333 1.00 0.00 C ATOM 223 CG LYS A 18 -4.342 -7.374 6.759 1.00 0.00 C ATOM 224 CD LYS A 18 -3.712 -6.337 7.702 1.00 0.00 C ATOM 225 CE LYS A 18 -4.551 -6.136 8.960 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.393 -7.244 9.916 1.00 0.00 N ATOM 0 H LYS A 18 -1.778 -7.889 3.308 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.842 -6.647 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.087 -6.287 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.232 -8.021 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.424 -7.242 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.149 -8.377 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.709 -6.661 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.606 -5.386 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.265 -5.200 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.601 -6.044 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.112 -7.163 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.510 -8.150 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.445 -7.202 10.342 1.00 0.00 H new ATOM 240 N MET A 19 -0.813 -8.799 6.569 1.00 0.00 N ATOM 241 CA MET A 19 -0.326 -10.035 7.150 1.00 0.00 C ATOM 242 C MET A 19 -1.041 -10.302 8.475 1.00 0.00 C ATOM 243 O MET A 19 -1.769 -9.453 9.003 1.00 0.00 O ATOM 244 CB MET A 19 1.193 -9.914 7.316 1.00 0.00 C ATOM 245 CG MET A 19 1.881 -9.960 5.952 1.00 0.00 C ATOM 246 SD MET A 19 3.614 -9.485 6.015 1.00 0.00 S ATOM 247 CE MET A 19 4.309 -10.963 6.768 1.00 0.00 C ATOM 0 H MET A 19 -0.334 -7.968 6.916 1.00 0.00 H new ATOM 0 HA MET A 19 -0.537 -10.887 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.437 -8.980 7.823 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.563 -10.724 7.945 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.802 -10.969 5.547 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.354 -9.298 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.386 -10.841 6.883 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.855 -11.120 7.747 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.107 -11.825 6.132 1.00 0.00 H new ATOM 257 N LYS A 20 -0.812 -11.495 9.023 1.00 0.00 N ATOM 258 CA LYS A 20 -1.262 -11.935 10.337 1.00 0.00 C ATOM 259 C LYS A 20 -0.817 -10.911 11.374 1.00 0.00 C ATOM 260 O LYS A 20 0.385 -10.690 11.538 1.00 0.00 O ATOM 261 CB LYS A 20 -0.651 -13.326 10.624 1.00 0.00 C ATOM 262 CG LYS A 20 -1.687 -14.453 10.670 1.00 0.00 C ATOM 263 CD LYS A 20 -2.302 -14.629 12.062 1.00 0.00 C ATOM 264 CE LYS A 20 -3.098 -15.936 12.080 1.00 0.00 C ATOM 265 NZ LYS A 20 -3.697 -16.200 13.402 1.00 0.00 N ATOM 0 H LYS A 20 -0.280 -12.215 8.535 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.348 -12.016 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.088 -13.554 9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.121 -13.292 11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.479 -14.244 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.216 -15.387 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.520 -14.651 12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.952 -13.786 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.885 -15.891 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.443 -16.763 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.227 -17.094 13.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.945 -16.268 14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.342 -15.424 13.652 1.00 0.00 H new ATOM 279 N GLY A 21 -1.753 -10.287 12.086 1.00 0.00 N ATOM 280 CA GLY A 21 -1.478 -9.402 13.214 1.00 0.00 C ATOM 281 C GLY A 21 -1.065 -7.999 12.778 1.00 0.00 C ATOM 282 O GLY A 21 -1.589 -7.009 13.294 1.00 0.00 O ATOM 0 H GLY A 21 -2.749 -10.386 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.366 -9.335 13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.686 -9.835 13.825 1.00 0.00 H new ATOM 286 N TYR A 22 -0.121 -7.908 11.839 1.00 0.00 N ATOM 287 CA TYR A 22 0.400 -6.673 11.268 1.00 0.00 C ATOM 288 C TYR A 22 -0.710 -5.780 10.703 1.00 0.00 C ATOM 289 O TYR A 22 -1.821 -6.248 10.436 1.00 0.00 O ATOM 290 CB TYR A 22 1.453 -7.031 10.199 1.00 0.00 C ATOM 291 CG TYR A 22 2.828 -7.343 10.771 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.466 -6.415 11.621 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.478 -8.557 10.462 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.741 -6.683 12.144 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.751 -8.837 10.996 1.00 0.00 C ATOM 296 CZ TYR A 22 5.401 -7.888 11.820 1.00 0.00 C ATOM 297 OH TYR A 22 6.635 -8.115 12.353 1.00 0.00 O ATOM 0 H TYR A 22 0.320 -8.737 11.439 1.00 0.00 H new ATOM 0 HA TYR A 22 0.871 -6.087 12.057 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.102 -7.893 9.631 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.541 -6.201 9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.969 -5.490 11.872 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.997 -9.274 9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.218 -5.966 12.796 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.232 -9.779 10.776 1.00 0.00 H new ATOM 0 HH TYR A 22 6.969 -8.983 12.045 1.00 0.00 H new ATOM 307 N PRO A 23 -0.423 -4.476 10.576 1.00 0.00 N ATOM 308 CA PRO A 23 -1.341 -3.492 10.037 1.00 0.00 C ATOM 309 C PRO A 23 -1.454 -3.633 8.516 1.00 0.00 C ATOM 310 O PRO A 23 -0.820 -4.493 7.904 1.00 0.00 O ATOM 311 CB PRO A 23 -0.773 -2.136 10.480 1.00 0.00 C ATOM 312 CG PRO A 23 0.728 -2.399 10.572 1.00 0.00 C ATOM 313 CD PRO A 23 0.824 -3.852 10.976 1.00 0.00 C ATOM 0 HA PRO A 23 -2.361 -3.615 10.402 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.001 -1.350 9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.186 -1.820 11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.224 -2.217 9.618 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.202 -1.749 11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.672 -4.334 10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.977 -3.946 12.051 1.00 0.00 H new ATOM 321 N HIS A 24 -2.281 -2.782 7.910 1.00 0.00 N ATOM 322 CA HIS A 24 -2.359 -2.619 6.466 1.00 0.00 C ATOM 323 C HIS A 24 -1.065 -1.940 6.005 1.00 0.00 C ATOM 324 O HIS A 24 -0.931 -0.721 6.112 1.00 0.00 O ATOM 325 CB HIS A 24 -3.619 -1.819 6.111 1.00 0.00 C ATOM 326 CG HIS A 24 -4.888 -2.480 6.593 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.751 -1.986 7.548 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.391 -3.676 6.153 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.755 -2.870 7.683 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.549 -3.938 6.894 1.00 0.00 N ATOM 0 H HIS A 24 -2.925 -2.178 8.421 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.445 -3.575 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.546 -0.823 6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.670 -1.691 5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.972 -4.301 5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.607 -2.740 8.334 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.126 -4.778 6.845 1.00 0.00 H new ATOM 338 N TRP A 25 -0.076 -2.730 5.595 1.00 0.00 N ATOM 339 CA TRP A 25 1.281 -2.285 5.315 1.00 0.00 C ATOM 340 C TRP A 25 1.364 -1.771 3.870 1.00 0.00 C ATOM 341 O TRP A 25 0.831 -2.431 2.972 1.00 0.00 O ATOM 342 CB TRP A 25 2.249 -3.449 5.591 1.00 0.00 C ATOM 343 CG TRP A 25 3.645 -3.053 5.964 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.614 -2.584 5.144 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.240 -3.085 7.289 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.745 -2.278 5.874 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.551 -2.537 7.216 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.787 -3.526 8.549 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.347 -2.396 8.362 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.578 -3.385 9.701 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.854 -2.810 9.608 1.00 0.00 C ATOM 0 H TRP A 25 -0.204 -3.731 5.444 1.00 0.00 H new ATOM 0 HA TRP A 25 1.565 -1.456 5.963 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.836 -4.059 6.394 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.294 -4.079 4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.517 -2.466 4.075 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.609 -1.910 5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.811 -3.982 8.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.336 -1.970 8.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.204 -3.719 10.658 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.457 -2.686 10.496 1.00 0.00 H new ATOM 362 N PRO A 26 2.003 -0.617 3.600 1.00 0.00 N ATOM 363 CA PRO A 26 2.152 -0.085 2.244 1.00 0.00 C ATOM 364 C PRO A 26 2.976 -1.047 1.386 1.00 0.00 C ATOM 365 O PRO A 26 4.062 -1.462 1.795 1.00 0.00 O ATOM 366 CB PRO A 26 2.837 1.274 2.408 1.00 0.00 C ATOM 367 CG PRO A 26 3.588 1.142 3.731 1.00 0.00 C ATOM 368 CD PRO A 26 2.661 0.260 4.559 1.00 0.00 C ATOM 0 HA PRO A 26 1.196 0.028 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.516 1.483 1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.112 2.087 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.568 0.684 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.751 2.111 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.221 -0.314 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.934 0.859 5.107 1.00 0.00 H new ATOM 376 N ALA A 27 2.450 -1.454 0.232 1.00 0.00 N ATOM 377 CA ALA A 27 3.032 -2.470 -0.633 1.00 0.00 C ATOM 378 C ALA A 27 2.928 -2.022 -2.084 1.00 0.00 C ATOM 379 O ALA A 27 2.175 -1.102 -2.417 1.00 0.00 O ATOM 380 CB ALA A 27 2.307 -3.813 -0.439 1.00 0.00 C ATOM 0 H ALA A 27 1.579 -1.071 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 27 4.082 -2.603 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.752 -4.564 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.403 -4.132 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.252 -3.696 -0.687 1.00 0.00 H new ATOM 386 N ARG A 28 3.622 -2.711 -2.984 1.00 0.00 N ATOM 387 CA ARG A 28 3.448 -2.487 -4.414 1.00 0.00 C ATOM 388 C ARG A 28 3.353 -3.821 -5.125 1.00 0.00 C ATOM 389 O ARG A 28 3.875 -4.819 -4.623 1.00 0.00 O ATOM 390 CB ARG A 28 4.575 -1.566 -4.895 1.00 0.00 C ATOM 391 CG ARG A 28 5.954 -2.211 -5.053 1.00 0.00 C ATOM 392 CD ARG A 28 6.421 -2.313 -6.505 1.00 0.00 C ATOM 393 NE ARG A 28 7.872 -2.543 -6.546 1.00 0.00 N ATOM 394 CZ ARG A 28 8.803 -1.598 -6.698 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.504 -0.401 -7.187 1.00 0.00 N ATOM 396 NH2 ARG A 28 10.037 -1.865 -6.321 1.00 0.00 N ATOM 0 H ARG A 28 4.309 -3.428 -2.749 1.00 0.00 H new ATOM 0 HA ARG A 28 2.514 -1.976 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.284 -1.141 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.663 -0.737 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.683 -1.633 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.931 -3.210 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.900 -3.128 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.173 -1.397 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 28 8.195 -3.506 -6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.544 -0.185 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.234 0.303 -7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.263 -2.777 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.766 -1.160 -6.427 1.00 0.00 H new ATOM 410 N ILE A 29 2.673 -3.834 -6.266 1.00 0.00 N ATOM 411 CA ILE A 29 2.697 -4.971 -7.163 1.00 0.00 C ATOM 412 C ILE A 29 4.005 -4.814 -7.925 1.00 0.00 C ATOM 413 O ILE A 29 4.143 -3.896 -8.742 1.00 0.00 O ATOM 414 CB ILE A 29 1.493 -4.982 -8.124 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.128 -4.635 -7.497 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.435 -6.341 -8.844 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.362 -5.564 -6.388 1.00 0.00 C ATOM 0 H ILE A 29 2.094 -3.059 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 29 2.631 -5.915 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 29 1.670 -4.168 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.183 -3.623 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.620 -4.624 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.585 -6.355 -9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.355 -6.494 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.324 -7.138 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.331 -5.219 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.460 -6.577 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.355 -5.560 -5.567 1.00 0.00 H new ATOM 429 N ASP A 30 4.993 -5.628 -7.585 1.00 0.00 N ATOM 430 CA ASP A 30 6.252 -5.687 -8.306 1.00 0.00 C ATOM 431 C ASP A 30 6.135 -6.725 -9.428 1.00 0.00 C ATOM 432 O ASP A 30 5.032 -7.192 -9.747 1.00 0.00 O ATOM 433 CB ASP A 30 7.402 -5.928 -7.323 1.00 0.00 C ATOM 434 CG ASP A 30 7.445 -7.344 -6.773 1.00 0.00 C ATOM 435 OD1 ASP A 30 6.660 -7.657 -5.855 1.00 0.00 O ATOM 436 OD2 ASP A 30 8.361 -8.101 -7.158 1.00 0.00 O ATOM 0 H ASP A 30 4.941 -6.271 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 30 6.482 -4.739 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.347 -5.712 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.312 -5.227 -6.493 1.00 0.00 H new ATOM 441 N GLU A 31 7.246 -7.030 -10.101 1.00 0.00 N ATOM 442 CA GLU A 31 7.253 -7.881 -11.274 1.00 0.00 C ATOM 443 C GLU A 31 8.237 -9.035 -11.114 1.00 0.00 C ATOM 444 O GLU A 31 9.172 -8.991 -10.307 1.00 0.00 O ATOM 445 CB GLU A 31 7.506 -7.049 -12.533 1.00 0.00 C ATOM 446 CG GLU A 31 8.909 -6.441 -12.644 1.00 0.00 C ATOM 447 CD GLU A 31 9.084 -5.762 -13.998 1.00 0.00 C ATOM 448 OE1 GLU A 31 8.963 -6.453 -15.039 1.00 0.00 O ATOM 449 OE2 GLU A 31 9.362 -4.543 -14.041 1.00 0.00 O ATOM 0 H GLU A 31 8.170 -6.686 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 31 6.270 -8.338 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.330 -7.678 -13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.774 -6.242 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.064 -5.717 -11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.661 -7.220 -12.520 1.00 0.00 H new ATOM 456 N LEU A 32 8.008 -10.103 -11.870 1.00 0.00 N ATOM 457 CA LEU A 32 8.764 -11.344 -11.757 1.00 0.00 C ATOM 458 C LEU A 32 10.116 -11.183 -12.470 1.00 0.00 C ATOM 459 O LEU A 32 10.138 -10.662 -13.588 1.00 0.00 O ATOM 460 CB LEU A 32 7.935 -12.494 -12.351 1.00 0.00 C ATOM 461 CG LEU A 32 6.685 -12.810 -11.504 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.684 -13.651 -12.293 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.030 -13.533 -10.196 1.00 0.00 C ATOM 0 H LEU A 32 7.283 -10.131 -12.587 1.00 0.00 H new ATOM 0 HA LEU A 32 8.965 -11.578 -10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.629 -12.233 -13.364 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.556 -13.387 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 32 6.238 -11.848 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.813 -13.858 -11.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.372 -13.105 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.151 -14.591 -12.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.115 -13.732 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.529 -14.475 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.691 -12.906 -9.597 1.00 0.00 H new ATOM 475 N PRO A 33 11.233 -11.611 -11.854 1.00 0.00 N ATOM 476 CA PRO A 33 12.568 -11.575 -12.444 1.00 0.00 C ATOM 477 C PRO A 33 12.795 -12.777 -13.393 1.00 0.00 C ATOM 478 O PRO A 33 11.857 -13.284 -14.012 1.00 0.00 O ATOM 479 CB PRO A 33 13.498 -11.538 -11.218 1.00 0.00 C ATOM 480 CG PRO A 33 12.775 -12.437 -10.226 1.00 0.00 C ATOM 481 CD PRO A 33 11.311 -12.099 -10.483 1.00 0.00 C ATOM 0 HA PRO A 33 12.748 -10.718 -13.092 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.494 -11.913 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.621 -10.526 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.986 -13.491 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.066 -12.224 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.681 -12.978 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.959 -11.343 -9.782 1.00 0.00 H new ATOM 489 N GLU A 34 14.061 -13.181 -13.548 1.00 0.00 N ATOM 490 CA GLU A 34 14.573 -14.323 -14.302 1.00 0.00 C ATOM 491 C GLU A 34 14.142 -15.669 -13.685 1.00 0.00 C ATOM 492 O GLU A 34 12.987 -15.837 -13.295 1.00 0.00 O ATOM 493 CB GLU A 34 16.098 -14.136 -14.423 1.00 0.00 C ATOM 494 CG GLU A 34 16.692 -14.931 -15.595 1.00 0.00 C ATOM 495 CD GLU A 34 17.993 -15.611 -15.197 1.00 0.00 C ATOM 496 OE1 GLU A 34 17.945 -16.655 -14.502 1.00 0.00 O ATOM 497 OE2 GLU A 34 19.070 -15.109 -15.579 1.00 0.00 O ATOM 0 H GLU A 34 14.822 -12.666 -13.105 1.00 0.00 H new ATOM 0 HA GLU A 34 14.143 -14.359 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.323 -13.077 -14.554 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.575 -14.451 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.975 -15.680 -15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.871 -14.263 -16.437 1.00 0.00 H new ATOM 504 N GLY A 35 15.048 -16.650 -13.628 1.00 0.00 N ATOM 505 CA GLY A 35 14.866 -18.057 -13.262 1.00 0.00 C ATOM 506 C GLY A 35 14.394 -18.335 -11.832 1.00 0.00 C ATOM 507 O GLY A 35 14.591 -19.440 -11.332 1.00 0.00 O ATOM 0 H GLY A 35 16.023 -16.459 -13.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.146 -18.498 -13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.813 -18.575 -13.416 1.00 0.00 H new ATOM 511 N ALA A 36 13.777 -17.353 -11.176 1.00 0.00 N ATOM 512 CA ALA A 36 13.025 -17.482 -9.945 1.00 0.00 C ATOM 513 C ALA A 36 11.817 -18.420 -10.111 1.00 0.00 C ATOM 514 O ALA A 36 11.558 -18.990 -11.178 1.00 0.00 O ATOM 515 CB ALA A 36 12.613 -16.073 -9.490 1.00 0.00 C ATOM 0 H ALA A 36 13.795 -16.392 -11.517 1.00 0.00 H new ATOM 0 HA ALA A 36 13.645 -17.942 -9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.044 -16.142 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.505 -15.469 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.997 -15.608 -10.260 1.00 0.00 H new ATOM 521 N VAL A 37 11.082 -18.578 -9.015 1.00 0.00 N ATOM 522 CA VAL A 37 9.879 -19.385 -8.905 1.00 0.00 C ATOM 523 C VAL A 37 8.735 -18.719 -9.706 1.00 0.00 C ATOM 524 O VAL A 37 8.837 -17.553 -10.102 1.00 0.00 O ATOM 525 CB VAL A 37 9.572 -19.584 -7.396 1.00 0.00 C ATOM 526 CG1 VAL A 37 8.609 -20.763 -7.166 1.00 0.00 C ATOM 527 CG2 VAL A 37 10.839 -19.925 -6.582 1.00 0.00 C ATOM 0 H VAL A 37 11.325 -18.122 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 37 10.005 -20.376 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 37 9.139 -18.638 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.417 -20.873 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.670 -20.573 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.057 -21.679 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.573 -20.055 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.278 -20.847 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.561 -19.114 -6.676 1.00 0.00 H new ATOM 537 N LYS A 38 7.651 -19.444 -10.000 1.00 0.00 N ATOM 538 CA LYS A 38 6.439 -18.910 -10.608 1.00 0.00 C ATOM 539 C LYS A 38 5.287 -18.962 -9.598 1.00 0.00 C ATOM 540 O LYS A 38 5.118 -19.982 -8.909 1.00 0.00 O ATOM 541 CB LYS A 38 6.090 -19.667 -11.897 1.00 0.00 C ATOM 542 CG LYS A 38 6.960 -19.145 -13.044 1.00 0.00 C ATOM 543 CD LYS A 38 6.631 -19.775 -14.401 1.00 0.00 C ATOM 544 CE LYS A 38 7.347 -19.020 -15.531 1.00 0.00 C ATOM 545 NZ LYS A 38 8.819 -19.091 -15.428 1.00 0.00 N ATOM 0 H LYS A 38 7.596 -20.445 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 38 6.610 -17.869 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.253 -20.736 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.035 -19.533 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.840 -18.064 -13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.007 -19.335 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.934 -20.822 -14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.554 -19.754 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.035 -19.432 -16.491 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.037 -17.975 -15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.248 -18.579 -16.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.126 -18.658 -14.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.121 -20.086 -15.453 1.00 0.00 H new ATOM 559 N PRO A 39 4.481 -17.886 -9.514 1.00 0.00 N ATOM 560 CA PRO A 39 3.373 -17.797 -8.579 1.00 0.00 C ATOM 561 C PRO A 39 2.221 -18.692 -8.977 1.00 0.00 C ATOM 562 O PRO A 39 2.104 -19.077 -10.144 1.00 0.00 O ATOM 563 CB PRO A 39 2.952 -16.327 -8.582 1.00 0.00 C ATOM 564 CG PRO A 39 3.337 -15.838 -9.972 1.00 0.00 C ATOM 565 CD PRO A 39 4.595 -16.647 -10.275 1.00 0.00 C ATOM 0 HA PRO A 39 3.673 -18.134 -7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.883 -16.217 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.466 -15.763 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.549 -16.027 -10.701 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.532 -14.766 -9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.677 -16.853 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.490 -16.095 -9.987 1.00 0.00 H new ATOM 573 N PRO A 40 1.297 -18.956 -8.040 1.00 0.00 N ATOM 574 CA PRO A 40 0.027 -19.513 -8.420 1.00 0.00 C ATOM 575 C PRO A 40 -0.781 -18.489 -9.188 1.00 0.00 C ATOM 576 O PRO A 40 -0.625 -17.280 -8.986 1.00 0.00 O ATOM 577 CB PRO A 40 -0.652 -19.932 -7.116 1.00 0.00 C ATOM 578 CG PRO A 40 -0.105 -18.909 -6.123 1.00 0.00 C ATOM 579 CD PRO A 40 1.308 -18.623 -6.619 1.00 0.00 C ATOM 0 HA PRO A 40 0.130 -20.372 -9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.739 -19.887 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.394 -20.952 -6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.713 -18.004 -6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.098 -19.305 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.575 -17.578 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.042 -19.223 -6.081 1.00 0.00 H new ATOM 587 N ALA A 41 -1.646 -18.976 -10.076 1.00 0.00 N ATOM 588 CA ALA A 41 -2.455 -18.118 -10.913 1.00 0.00 C ATOM 589 C ALA A 41 -3.645 -17.598 -10.092 1.00 0.00 C ATOM 590 O ALA A 41 -4.775 -18.050 -10.264 1.00 0.00 O ATOM 591 CB ALA A 41 -2.906 -18.861 -12.172 1.00 0.00 C ATOM 0 H ALA A 41 -1.799 -19.973 -10.229 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.867 -17.264 -11.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.513 -18.198 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.031 -19.182 -12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.495 -19.733 -11.888 1.00 0.00 H new ATOM 597 N ASN A 42 -3.368 -16.782 -9.079 1.00 0.00 N ATOM 598 CA ASN A 42 -4.307 -16.298 -8.068 1.00 0.00 C ATOM 599 C ASN A 42 -3.650 -15.255 -7.153 1.00 0.00 C ATOM 600 O ASN A 42 -4.340 -14.692 -6.299 1.00 0.00 O ATOM 601 CB ASN A 42 -4.833 -17.464 -7.186 1.00 0.00 C ATOM 602 CG ASN A 42 -6.336 -17.675 -7.361 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.134 -16.857 -6.907 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.768 -18.760 -7.978 1.00 0.00 N ATOM 0 H ASN A 42 -2.426 -16.419 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.138 -15.841 -8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.305 -18.382 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.615 -17.254 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.770 -18.924 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.100 -19.434 -8.352 1.00 0.00 H new ATOM 611 N LYS A 43 -2.328 -15.043 -7.239 1.00 0.00 N ATOM 612 CA LYS A 43 -1.564 -14.211 -6.313 1.00 0.00 C ATOM 613 C LYS A 43 -0.599 -13.329 -7.081 1.00 0.00 C ATOM 614 O LYS A 43 -0.163 -13.703 -8.170 1.00 0.00 O ATOM 615 CB LYS A 43 -0.808 -15.057 -5.275 1.00 0.00 C ATOM 616 CG LYS A 43 -1.726 -15.962 -4.435 1.00 0.00 C ATOM 617 CD LYS A 43 -0.983 -16.503 -3.208 1.00 0.00 C ATOM 618 CE LYS A 43 -1.760 -17.608 -2.490 1.00 0.00 C ATOM 619 NZ LYS A 43 -2.856 -17.127 -1.625 1.00 0.00 N ATOM 0 H LYS A 43 -1.753 -15.457 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.270 -13.583 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.072 -15.676 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.257 -14.393 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.604 -15.401 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.083 -16.792 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.012 -16.889 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.795 -15.685 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.175 -18.286 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.064 -18.188 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.328 -17.939 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.469 -16.504 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.544 -16.599 -2.198 1.00 0.00 H new ATOM 633 N TYR A 44 -0.252 -12.193 -6.494 1.00 0.00 N ATOM 634 CA TYR A 44 0.693 -11.231 -7.030 1.00 0.00 C ATOM 635 C TYR A 44 1.981 -11.346 -6.222 1.00 0.00 C ATOM 636 O TYR A 44 1.895 -11.636 -5.026 1.00 0.00 O ATOM 637 CB TYR A 44 0.113 -9.821 -6.864 1.00 0.00 C ATOM 638 CG TYR A 44 -1.195 -9.598 -7.593 1.00 0.00 C ATOM 639 CD1 TYR A 44 -2.410 -9.965 -6.981 1.00 0.00 C ATOM 640 CD2 TYR A 44 -1.198 -9.052 -8.891 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.618 -9.822 -7.680 1.00 0.00 C ATOM 642 CE2 TYR A 44 -2.407 -8.903 -9.594 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.620 -9.295 -8.988 1.00 0.00 C ATOM 644 OH TYR A 44 -4.800 -9.130 -9.637 1.00 0.00 O ATOM 0 H TYR A 44 -0.638 -11.907 -5.594 1.00 0.00 H new ATOM 0 HA TYR A 44 0.887 -11.421 -8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.038 -9.625 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.844 -9.095 -7.222 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.411 -10.356 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.269 -8.747 -9.348 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.548 -10.116 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.407 -8.491 -10.592 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.084 -9.985 -10.022 1.00 0.00 H new ATOM 654 N PRO A 45 3.157 -11.106 -6.819 1.00 0.00 N ATOM 655 CA PRO A 45 4.331 -10.695 -6.073 1.00 0.00 C ATOM 656 C PRO A 45 4.024 -9.335 -5.437 1.00 0.00 C ATOM 657 O PRO A 45 3.619 -8.396 -6.126 1.00 0.00 O ATOM 658 CB PRO A 45 5.485 -10.661 -7.080 1.00 0.00 C ATOM 659 CG PRO A 45 4.826 -10.565 -8.454 1.00 0.00 C ATOM 660 CD PRO A 45 3.394 -11.052 -8.249 1.00 0.00 C ATOM 0 HA PRO A 45 4.606 -11.367 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.139 -9.808 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.100 -11.557 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.844 -9.541 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.350 -11.180 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.686 -10.377 -8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.254 -12.035 -8.699 1.00 0.00 H new ATOM 668 N ILE A 46 4.130 -9.280 -4.111 1.00 0.00 N ATOM 669 CA ILE A 46 3.898 -8.105 -3.292 1.00 0.00 C ATOM 670 C ILE A 46 5.193 -7.799 -2.548 1.00 0.00 C ATOM 671 O ILE A 46 5.607 -8.541 -1.649 1.00 0.00 O ATOM 672 CB ILE A 46 2.703 -8.348 -2.341 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.389 -8.652 -3.091 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.480 -7.166 -1.390 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.890 -7.509 -3.978 1.00 0.00 C ATOM 0 H ILE A 46 4.393 -10.096 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 46 3.631 -7.240 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 46 2.974 -9.230 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.534 -9.539 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.616 -8.894 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.631 -7.378 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.373 -7.013 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.277 -6.266 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.037 -7.807 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.710 -6.625 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.642 -7.280 -4.733 1.00 0.00 H new ATOM 687 N PHE A 47 5.820 -6.687 -2.920 1.00 0.00 N ATOM 688 CA PHE A 47 6.961 -6.125 -2.224 1.00 0.00 C ATOM 689 C PHE A 47 6.454 -5.245 -1.088 1.00 0.00 C ATOM 690 O PHE A 47 5.615 -4.358 -1.298 1.00 0.00 O ATOM 691 CB PHE A 47 7.772 -5.292 -3.210 1.00 0.00 C ATOM 692 CG PHE A 47 9.010 -4.626 -2.645 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.083 -5.407 -2.174 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.130 -3.225 -2.688 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.284 -4.797 -1.777 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.340 -2.619 -2.311 1.00 0.00 C ATOM 697 CZ PHE A 47 11.413 -3.402 -1.862 1.00 0.00 C ATOM 0 H PHE A 47 5.538 -6.142 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 47 7.591 -6.915 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.073 -5.934 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.124 -4.520 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.982 -6.481 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.296 -2.618 -3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.103 -5.397 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.444 -1.546 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.343 -2.930 -1.580 1.00 0.00 H new ATOM 707 N PHE A 48 6.981 -5.475 0.110 1.00 0.00 N ATOM 708 CA PHE A 48 6.653 -4.724 1.308 1.00 0.00 C ATOM 709 C PHE A 48 7.670 -3.601 1.457 1.00 0.00 C ATOM 710 O PHE A 48 8.754 -3.811 2.016 1.00 0.00 O ATOM 711 CB PHE A 48 6.650 -5.649 2.533 1.00 0.00 C ATOM 712 CG PHE A 48 5.501 -6.634 2.599 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.416 -7.713 1.697 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.490 -6.452 3.560 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.311 -8.579 1.739 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.387 -7.316 3.600 1.00 0.00 C ATOM 717 CZ PHE A 48 3.300 -8.386 2.696 1.00 0.00 C ATOM 0 H PHE A 48 7.668 -6.211 0.275 1.00 0.00 H new ATOM 0 HA PHE A 48 5.654 -4.296 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.586 -6.207 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.631 -5.033 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.201 -7.874 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.564 -5.642 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.238 -9.395 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.604 -7.158 4.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.457 -9.060 2.736 1.00 0.00 H new ATOM 727 N PHE A 49 7.320 -2.421 0.935 1.00 0.00 N ATOM 728 CA PHE A 49 8.109 -1.201 1.043 1.00 0.00 C ATOM 729 C PHE A 49 8.534 -0.959 2.503 1.00 0.00 C ATOM 730 O PHE A 49 7.840 -1.345 3.452 1.00 0.00 O ATOM 731 CB PHE A 49 7.295 -0.010 0.502 1.00 0.00 C ATOM 732 CG PHE A 49 7.336 0.206 -1.000 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.580 0.304 -1.651 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.157 0.453 -1.732 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.650 0.636 -3.012 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.240 0.881 -3.067 1.00 0.00 C ATOM 737 CZ PHE A 49 7.479 0.947 -3.722 1.00 0.00 C ATOM 0 H PHE A 49 6.454 -2.290 0.412 1.00 0.00 H new ATOM 0 HA PHE A 49 9.015 -1.307 0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.255 -0.143 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.653 0.898 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.489 0.122 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.192 0.313 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.606 0.652 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.341 1.162 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.532 1.234 -4.762 1.00 0.00 H new ATOM 747 N GLY A 50 9.679 -0.297 2.698 1.00 0.00 N ATOM 748 CA GLY A 50 10.283 -0.124 4.013 1.00 0.00 C ATOM 749 C GLY A 50 11.017 -1.405 4.389 1.00 0.00 C ATOM 750 O GLY A 50 12.239 -1.463 4.302 1.00 0.00 O ATOM 0 H GLY A 50 10.211 0.134 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.975 0.718 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.516 0.103 4.754 1.00 0.00 H new ATOM 754 N THR A 51 10.276 -2.452 4.745 1.00 0.00 N ATOM 755 CA THR A 51 10.812 -3.700 5.285 1.00 0.00 C ATOM 756 C THR A 51 11.621 -4.531 4.280 1.00 0.00 C ATOM 757 O THR A 51 12.407 -5.373 4.709 1.00 0.00 O ATOM 758 CB THR A 51 9.642 -4.518 5.861 1.00 0.00 C ATOM 759 OG1 THR A 51 8.483 -4.446 5.039 1.00 0.00 O ATOM 760 CG2 THR A 51 9.233 -3.955 7.221 1.00 0.00 C ATOM 0 H THR A 51 9.259 -2.456 4.664 1.00 0.00 H new ATOM 0 HA THR A 51 11.529 -3.438 6.063 1.00 0.00 H new ATOM 0 HB THR A 51 9.991 -5.548 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.752 -4.316 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.405 -4.539 7.622 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.079 -4.007 7.906 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.923 -2.916 7.106 1.00 0.00 H new ATOM 768 N HIS A 52 11.419 -4.307 2.974 1.00 0.00 N ATOM 769 CA HIS A 52 11.985 -5.071 1.862 1.00 0.00 C ATOM 770 C HIS A 52 11.846 -6.583 2.105 1.00 0.00 C ATOM 771 O HIS A 52 12.804 -7.359 1.999 1.00 0.00 O ATOM 772 CB HIS A 52 13.414 -4.599 1.528 1.00 0.00 C ATOM 773 CG HIS A 52 13.523 -3.214 0.924 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.474 -2.819 0.008 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.697 -2.141 1.135 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.230 -1.536 -0.310 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.146 -1.082 0.345 1.00 0.00 N ATOM 0 H HIS A 52 10.823 -3.545 2.651 1.00 0.00 H new ATOM 0 HA HIS A 52 11.407 -4.872 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.008 -4.625 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.861 -5.313 0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.845 -2.119 1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.823 -0.950 -0.997 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.735 -0.151 0.278 1.00 0.00 H new ATOM 785 N GLU A 53 10.620 -6.994 2.439 1.00 0.00 N ATOM 786 CA GLU A 53 10.184 -8.378 2.333 1.00 0.00 C ATOM 787 C GLU A 53 9.432 -8.529 1.010 1.00 0.00 C ATOM 788 O GLU A 53 8.983 -7.545 0.412 1.00 0.00 O ATOM 789 CB GLU A 53 9.292 -8.776 3.518 1.00 0.00 C ATOM 790 CG GLU A 53 10.034 -8.758 4.868 1.00 0.00 C ATOM 791 CD GLU A 53 9.703 -10.015 5.686 1.00 0.00 C ATOM 792 OE1 GLU A 53 10.204 -11.103 5.348 1.00 0.00 O ATOM 793 OE2 GLU A 53 8.995 -9.936 6.723 1.00 0.00 O ATOM 0 H GLU A 53 9.899 -6.365 2.793 1.00 0.00 H new ATOM 0 HA GLU A 53 11.048 -9.042 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.442 -8.096 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.892 -9.775 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.109 -8.702 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.754 -7.868 5.431 1.00 0.00 H new ATOM 800 N THR A 54 9.282 -9.770 0.565 1.00 0.00 N ATOM 801 CA THR A 54 8.641 -10.155 -0.680 1.00 0.00 C ATOM 802 C THR A 54 7.722 -11.325 -0.351 1.00 0.00 C ATOM 803 O THR A 54 8.160 -12.272 0.312 1.00 0.00 O ATOM 804 CB THR A 54 9.724 -10.544 -1.709 1.00 0.00 C ATOM 805 OG1 THR A 54 10.716 -11.396 -1.157 1.00 0.00 O ATOM 806 CG2 THR A 54 10.445 -9.300 -2.219 1.00 0.00 C ATOM 0 H THR A 54 9.623 -10.574 1.092 1.00 0.00 H new ATOM 0 HA THR A 54 8.060 -9.343 -1.117 1.00 0.00 H new ATOM 0 HB THR A 54 9.201 -11.064 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.293 -12.042 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.205 -9.592 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.727 -8.633 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.919 -8.786 -1.383 1.00 0.00 H new ATOM 814 N ALA A 55 6.462 -11.287 -0.780 1.00 0.00 N ATOM 815 CA ALA A 55 5.572 -12.431 -0.620 1.00 0.00 C ATOM 816 C ALA A 55 4.589 -12.527 -1.773 1.00 0.00 C ATOM 817 O ALA A 55 4.259 -11.523 -2.398 1.00 0.00 O ATOM 818 CB ALA A 55 4.812 -12.339 0.711 1.00 0.00 C ATOM 0 H ALA A 55 6.038 -10.481 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 55 6.186 -13.332 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.153 -13.201 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.524 -12.326 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.219 -11.424 0.729 1.00 0.00 H new ATOM 824 N PHE A 56 4.055 -13.727 -1.996 1.00 0.00 N ATOM 825 CA PHE A 56 2.984 -13.938 -2.953 1.00 0.00 C ATOM 826 C PHE A 56 1.653 -13.892 -2.218 1.00 0.00 C ATOM 827 O PHE A 56 1.341 -14.815 -1.461 1.00 0.00 O ATOM 828 CB PHE A 56 3.203 -15.238 -3.730 1.00 0.00 C ATOM 829 CG PHE A 56 4.338 -15.101 -4.725 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.159 -14.309 -5.871 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.586 -15.703 -4.492 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.207 -14.142 -6.790 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.642 -15.519 -5.403 1.00 0.00 C ATOM 834 CZ PHE A 56 6.457 -14.735 -6.554 1.00 0.00 C ATOM 0 H PHE A 56 4.356 -14.575 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 56 2.977 -13.144 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.423 -16.047 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.287 -15.509 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.209 -13.826 -6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.735 -16.309 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.051 -13.555 -7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.599 -15.983 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.269 -14.590 -7.251 1.00 0.00 H new ATOM 844 N LEU A 57 0.863 -12.832 -2.411 1.00 0.00 N ATOM 845 CA LEU A 57 -0.443 -12.675 -1.755 1.00 0.00 C ATOM 846 C LEU A 57 -1.531 -12.421 -2.795 1.00 0.00 C ATOM 847 O LEU A 57 -1.277 -11.829 -3.843 1.00 0.00 O ATOM 848 CB LEU A 57 -0.389 -11.569 -0.688 1.00 0.00 C ATOM 849 CG LEU A 57 0.492 -11.948 0.520 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.949 -10.718 1.297 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.254 -12.887 1.476 1.00 0.00 C ATOM 0 H LEU A 57 1.109 -12.057 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.694 -13.602 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.006 -10.654 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.400 -11.355 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 57 1.368 -12.456 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.567 -11.029 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.529 -10.068 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.078 -10.176 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.392 -13.137 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.154 -12.393 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.531 -13.799 0.948 1.00 0.00 H new ATOM 863 N GLY A 58 -2.742 -12.914 -2.527 1.00 0.00 N ATOM 864 CA GLY A 58 -3.865 -12.860 -3.447 1.00 0.00 C ATOM 865 C GLY A 58 -4.766 -11.649 -3.165 1.00 0.00 C ATOM 866 O GLY A 58 -4.707 -11.069 -2.080 1.00 0.00 O ATOM 0 H GLY A 58 -2.967 -13.371 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.495 -12.809 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.449 -13.777 -3.364 1.00 0.00 H new ATOM 870 N PRO A 59 -5.616 -11.245 -4.125 1.00 0.00 N ATOM 871 CA PRO A 59 -6.288 -9.945 -4.121 1.00 0.00 C ATOM 872 C PRO A 59 -7.327 -9.790 -3.012 1.00 0.00 C ATOM 873 O PRO A 59 -7.648 -8.668 -2.627 1.00 0.00 O ATOM 874 CB PRO A 59 -6.918 -9.781 -5.510 1.00 0.00 C ATOM 875 CG PRO A 59 -6.982 -11.201 -6.075 1.00 0.00 C ATOM 876 CD PRO A 59 -5.845 -11.940 -5.374 1.00 0.00 C ATOM 0 HA PRO A 59 -5.560 -9.161 -3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.911 -9.335 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.317 -9.129 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.945 -11.667 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.851 -11.204 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.110 -12.982 -5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.945 -11.941 -5.989 1.00 0.00 H new ATOM 884 N LYS A 60 -7.838 -10.889 -2.450 1.00 0.00 N ATOM 885 CA LYS A 60 -8.736 -10.823 -1.302 1.00 0.00 C ATOM 886 C LYS A 60 -7.995 -10.389 -0.026 1.00 0.00 C ATOM 887 O LYS A 60 -8.663 -9.994 0.930 1.00 0.00 O ATOM 888 CB LYS A 60 -9.447 -12.170 -1.109 1.00 0.00 C ATOM 889 CG LYS A 60 -10.241 -12.696 -2.325 1.00 0.00 C ATOM 890 CD LYS A 60 -11.586 -12.012 -2.622 1.00 0.00 C ATOM 891 CE LYS A 60 -11.464 -10.835 -3.593 1.00 0.00 C ATOM 892 NZ LYS A 60 -12.771 -10.187 -3.838 1.00 0.00 N ATOM 0 H LYS A 60 -7.642 -11.836 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.490 -10.062 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.701 -12.917 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.131 -12.080 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.610 -12.603 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.426 -13.760 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.276 -12.747 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.021 -11.659 -1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.765 -10.102 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.049 -11.185 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.647 -9.395 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.431 -10.880 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.155 -9.830 -2.940 1.00 0.00 H new ATOM 906 N ASP A 61 -6.655 -10.412 0.000 1.00 0.00 N ATOM 907 CA ASP A 61 -5.824 -9.883 1.090 1.00 0.00 C ATOM 908 C ASP A 61 -5.299 -8.475 0.752 1.00 0.00 C ATOM 909 O ASP A 61 -4.535 -7.915 1.539 1.00 0.00 O ATOM 910 CB ASP A 61 -4.606 -10.794 1.387 1.00 0.00 C ATOM 911 CG ASP A 61 -4.928 -12.144 2.014 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.186 -13.111 1.262 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.885 -12.271 3.261 1.00 0.00 O ATOM 0 H ASP A 61 -6.103 -10.811 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.466 -9.844 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.069 -10.966 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.928 -10.258 2.051 1.00 0.00 H new ATOM 918 N LEU A 62 -5.623 -7.892 -0.409 1.00 0.00 N ATOM 919 CA LEU A 62 -5.056 -6.623 -0.887 1.00 0.00 C ATOM 920 C LEU A 62 -6.143 -5.555 -0.984 1.00 0.00 C ATOM 921 O LEU A 62 -7.326 -5.885 -1.073 1.00 0.00 O ATOM 922 CB LEU A 62 -4.386 -6.830 -2.265 1.00 0.00 C ATOM 923 CG LEU A 62 -3.195 -7.809 -2.254 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.693 -8.088 -3.674 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.026 -7.278 -1.417 1.00 0.00 C ATOM 0 H LEU A 62 -6.300 -8.297 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.304 -6.286 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.135 -7.196 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.044 -5.865 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.562 -8.732 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.853 -8.781 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.497 -8.527 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.371 -7.155 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.208 -7.998 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.684 -6.329 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.354 -7.128 -0.388 1.00 0.00 H new ATOM 937 N PHE A 63 -5.742 -4.283 -1.015 1.00 0.00 N ATOM 938 CA PHE A 63 -6.648 -3.161 -1.213 1.00 0.00 C ATOM 939 C PHE A 63 -5.933 -2.081 -2.034 1.00 0.00 C ATOM 940 O PHE A 63 -4.721 -1.901 -1.854 1.00 0.00 O ATOM 941 CB PHE A 63 -7.094 -2.603 0.147 1.00 0.00 C ATOM 942 CG PHE A 63 -7.918 -3.554 0.993 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.297 -3.715 0.756 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.297 -4.302 2.009 1.00 0.00 C ATOM 945 CE1 PHE A 63 -10.040 -4.630 1.524 1.00 0.00 C ATOM 946 CE2 PHE A 63 -8.038 -5.206 2.785 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.409 -5.372 2.539 1.00 0.00 C ATOM 0 H PHE A 63 -4.767 -4.005 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.535 -3.491 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.208 -2.314 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.674 -1.696 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.784 -3.136 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.240 -4.179 2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.095 -4.763 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.555 -5.771 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.982 -6.071 3.130 1.00 0.00 H new ATOM 957 N PRO A 64 -6.649 -1.345 -2.904 1.00 0.00 N ATOM 958 CA PRO A 64 -6.057 -0.297 -3.724 1.00 0.00 C ATOM 959 C PRO A 64 -5.546 0.841 -2.842 1.00 0.00 C ATOM 960 O PRO A 64 -6.281 1.346 -1.994 1.00 0.00 O ATOM 961 CB PRO A 64 -7.148 0.172 -4.691 1.00 0.00 C ATOM 962 CG PRO A 64 -8.461 -0.320 -4.085 1.00 0.00 C ATOM 963 CD PRO A 64 -8.082 -1.455 -3.141 1.00 0.00 C ATOM 0 HA PRO A 64 -5.195 -0.661 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.144 1.257 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.995 -0.242 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.969 0.482 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.144 -0.668 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.635 -1.380 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.328 -2.422 -3.580 1.00 0.00 H new ATOM 971 N TYR A 65 -4.303 1.272 -3.064 1.00 0.00 N ATOM 972 CA TYR A 65 -3.673 2.366 -2.335 1.00 0.00 C ATOM 973 C TYR A 65 -4.565 3.601 -2.333 1.00 0.00 C ATOM 974 O TYR A 65 -4.949 4.070 -1.274 1.00 0.00 O ATOM 975 CB TYR A 65 -2.317 2.687 -2.969 1.00 0.00 C ATOM 976 CG TYR A 65 -1.663 3.980 -2.502 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.541 4.271 -1.130 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.228 4.930 -3.447 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.985 5.489 -0.697 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.667 6.150 -3.028 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.547 6.441 -1.649 1.00 0.00 C ATOM 982 OH TYR A 65 -0.056 7.650 -1.261 1.00 0.00 O ATOM 0 H TYR A 65 -3.696 0.859 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.523 2.060 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.636 1.861 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.444 2.735 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.879 3.550 -0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.326 4.720 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.893 5.697 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.327 6.866 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 65 0.196 8.170 -2.053 1.00 0.00 H new ATOM 992 N LYS A 66 -4.927 4.115 -3.506 1.00 0.00 N ATOM 993 CA LYS A 66 -5.561 5.418 -3.689 1.00 0.00 C ATOM 994 C LYS A 66 -6.887 5.507 -2.934 1.00 0.00 C ATOM 995 O LYS A 66 -7.240 6.575 -2.423 1.00 0.00 O ATOM 996 CB LYS A 66 -5.747 5.657 -5.198 1.00 0.00 C ATOM 997 CG LYS A 66 -4.399 5.758 -5.944 1.00 0.00 C ATOM 998 CD LYS A 66 -4.566 5.563 -7.456 1.00 0.00 C ATOM 999 CE LYS A 66 -3.209 5.669 -8.166 1.00 0.00 C ATOM 1000 NZ LYS A 66 -3.279 5.182 -9.561 1.00 0.00 N ATOM 0 H LYS A 66 -4.782 3.619 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.923 6.198 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.335 4.844 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.315 6.575 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.949 6.732 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.712 5.007 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.012 4.589 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.250 6.314 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.876 6.707 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.465 5.092 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.343 5.270 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.573 4.184 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.970 5.749 -10.092 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.615 4.391 -2.848 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.866 4.302 -2.108 1.00 0.00 C ATOM 1016 C GLU A 67 -8.550 4.377 -0.609 1.00 0.00 C ATOM 1017 O GLU A 67 -9.000 5.289 0.081 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.626 3.029 -2.540 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.144 3.209 -2.709 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.969 2.939 -1.440 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.694 3.558 -0.388 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.957 2.162 -1.497 1.00 0.00 O ATOM 0 H GLU A 67 -7.345 3.516 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.534 5.135 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.209 2.677 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.447 2.248 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.340 4.228 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.489 2.542 -3.499 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.697 3.480 -0.111 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.419 3.292 1.313 1.00 0.00 C ATOM 1031 C TYR A 68 -6.327 4.224 1.853 1.00 0.00 C ATOM 1032 O TYR A 68 -5.927 4.101 3.009 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.113 1.812 1.559 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.342 0.938 1.386 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.787 0.596 0.099 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.114 0.569 2.499 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.022 -0.035 -0.098 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.338 -0.101 2.329 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.813 -0.367 1.025 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.052 -0.904 0.865 1.00 0.00 O ATOM 0 H TYR A 68 -7.165 2.845 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.306 3.575 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.335 1.484 0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.719 1.687 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.166 0.824 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.765 0.802 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.365 -0.265 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.912 -0.411 3.190 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.452 -1.070 1.744 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.834 5.176 1.062 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.702 6.034 1.355 1.00 0.00 C ATOM 1052 C LYS A 69 -4.931 6.807 2.650 1.00 0.00 C ATOM 1053 O LYS A 69 -4.008 6.892 3.459 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.488 6.884 0.091 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.624 8.125 0.252 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.502 8.808 -1.122 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.723 10.127 -1.143 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.349 11.189 -0.328 1.00 0.00 N ATOM 0 H LYS A 69 -6.242 5.375 0.149 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.780 5.489 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.039 6.251 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.464 7.193 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.069 8.806 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.638 7.855 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.022 8.113 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.505 8.994 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.711 9.949 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.636 10.473 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.774 12.054 -0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.305 11.385 -0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.409 10.877 0.662 1.00 0.00 H new ATOM 1072 N ASP A 70 -6.142 7.310 2.895 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.474 7.919 4.187 1.00 0.00 C ATOM 1074 C ASP A 70 -6.686 6.861 5.265 1.00 0.00 C ATOM 1075 O ASP A 70 -6.194 7.029 6.374 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.717 8.814 4.104 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.334 10.281 4.023 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -7.105 10.759 2.891 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.283 10.960 5.078 1.00 0.00 O ATOM 0 H ASP A 70 -6.907 7.309 2.220 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.620 8.540 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.307 8.541 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.347 8.648 4.978 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.429 5.792 4.965 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.894 4.824 5.960 1.00 0.00 C ATOM 1086 C LYS A 71 -6.732 4.046 6.581 1.00 0.00 C ATOM 1087 O LYS A 71 -6.739 3.752 7.776 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.900 3.876 5.277 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.784 3.114 6.276 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.709 2.132 5.543 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.840 1.639 6.449 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.716 0.666 5.765 1.00 0.00 N ATOM 0 H LYS A 71 -7.727 5.573 4.014 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.380 5.353 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.536 4.453 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.355 3.159 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.157 2.572 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.380 3.820 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.132 2.617 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.129 1.280 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.415 1.179 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.434 2.490 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.468 0.359 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.143 1.112 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.155 -0.159 5.470 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.766 3.652 5.755 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.717 2.688 6.066 1.00 0.00 C ATOM 1108 C PHE A 72 -3.343 3.354 6.058 1.00 0.00 C ATOM 1109 O PHE A 72 -2.466 2.942 6.823 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.765 1.558 5.021 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.947 0.603 5.062 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.922 0.629 6.082 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.051 -0.360 4.044 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.969 -0.307 6.084 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.080 -1.312 4.063 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.040 -1.291 5.084 1.00 0.00 C ATOM 0 H PHE A 72 -5.691 4.015 4.805 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.883 2.284 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.738 2.015 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.854 0.968 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.863 1.372 6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.331 -0.367 3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.722 -0.270 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.133 -2.063 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.830 -2.027 5.102 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.143 4.388 5.231 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.874 5.090 5.099 1.00 0.00 C ATOM 1128 C GLY A 73 -1.692 6.045 6.266 1.00 0.00 C ATOM 1129 O GLY A 73 -1.829 7.258 6.111 1.00 0.00 O ATOM 0 H GLY A 73 -3.875 4.761 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.053 4.374 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.848 5.641 4.159 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.458 5.500 7.457 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.516 6.222 8.720 1.00 0.00 C ATOM 1135 C LYS A 74 -0.382 5.733 9.599 1.00 0.00 C ATOM 1136 O LYS A 74 -0.076 4.540 9.606 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.891 6.001 9.383 1.00 0.00 C ATOM 1138 CG LYS A 74 -4.028 6.737 8.653 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.983 8.248 8.921 1.00 0.00 C ATOM 1140 CE LYS A 74 -4.589 9.070 7.779 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.071 10.455 7.794 1.00 0.00 N ATOM 0 H LYS A 74 -1.216 4.516 7.571 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.401 7.294 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.111 4.934 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.849 6.341 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.952 6.554 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.989 6.337 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.520 8.465 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.948 8.555 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.355 8.600 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.675 9.083 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.495 10.993 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.316 10.907 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.037 10.440 7.683 1.00 0.00 H new ATOM 1155 N SER A 75 0.260 6.664 10.296 1.00 0.00 N ATOM 1156 CA SER A 75 1.404 6.431 11.137 1.00 0.00 C ATOM 1157 C SER A 75 1.087 5.346 12.159 1.00 0.00 C ATOM 1158 O SER A 75 -0.011 5.261 12.717 1.00 0.00 O ATOM 1159 CB SER A 75 1.811 7.765 11.785 1.00 0.00 C ATOM 1160 OG SER A 75 0.668 8.544 12.094 1.00 0.00 O ATOM 0 H SER A 75 -0.025 7.643 10.282 1.00 0.00 H new ATOM 0 HA SER A 75 2.251 6.067 10.555 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.383 7.574 12.693 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.462 8.319 11.109 1.00 0.00 H new ATOM 0 HG SER A 75 0.949 9.387 12.507 1.00 0.00 H new ATOM 1166 N ASN A 76 2.090 4.506 12.382 1.00 0.00 N ATOM 1167 CA ASN A 76 2.045 3.466 13.414 1.00 0.00 C ATOM 1168 C ASN A 76 3.377 3.425 14.141 1.00 0.00 C ATOM 1169 O ASN A 76 4.404 3.744 13.537 1.00 0.00 O ATOM 1170 CB ASN A 76 1.743 2.080 12.805 1.00 0.00 C ATOM 1171 CG ASN A 76 0.248 1.862 12.632 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -0.417 1.369 13.545 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.312 2.219 11.494 1.00 0.00 N ATOM 0 H ASN A 76 2.962 4.523 11.853 1.00 0.00 H new ATOM 0 HA ASN A 76 1.243 3.708 14.111 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.239 1.990 11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.153 1.301 13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.314 2.089 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.257 2.625 10.751 1.00 0.00 H new ATOM 1180 N LYS A 77 3.401 2.950 15.393 1.00 0.00 N ATOM 1181 CA LYS A 77 4.665 2.615 16.062 1.00 0.00 C ATOM 1182 C LYS A 77 5.174 1.270 15.557 1.00 0.00 C ATOM 1183 O LYS A 77 5.205 0.278 16.295 1.00 0.00 O ATOM 1184 CB LYS A 77 4.554 2.641 17.590 1.00 0.00 C ATOM 1185 CG LYS A 77 4.415 4.069 18.129 1.00 0.00 C ATOM 1186 CD LYS A 77 4.925 4.155 19.574 1.00 0.00 C ATOM 1187 CE LYS A 77 3.912 4.839 20.491 1.00 0.00 C ATOM 1188 NZ LYS A 77 4.528 5.151 21.791 1.00 0.00 N ATOM 0 H LYS A 77 2.568 2.790 15.959 1.00 0.00 H new ATOM 0 HA LYS A 77 5.391 3.387 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.693 2.050 17.901 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.436 2.173 18.026 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.977 4.758 17.498 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.371 4.379 18.088 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.134 3.152 19.946 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.865 4.706 19.596 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.549 5.755 20.024 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.048 4.191 20.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.828 5.616 22.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.853 4.272 22.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.339 5.787 21.647 1.00 0.00 H new ATOM 1202 N ARG A 78 5.553 1.241 14.283 1.00 0.00 N ATOM 1203 CA ARG A 78 6.053 0.089 13.568 1.00 0.00 C ATOM 1204 C ARG A 78 7.278 0.552 12.808 1.00 0.00 C ATOM 1205 O ARG A 78 7.150 1.364 11.889 1.00 0.00 O ATOM 1206 CB ARG A 78 4.963 -0.432 12.627 1.00 0.00 C ATOM 1207 CG ARG A 78 3.855 -1.190 13.354 1.00 0.00 C ATOM 1208 CD ARG A 78 4.283 -2.632 13.630 1.00 0.00 C ATOM 1209 NE ARG A 78 3.325 -3.302 14.507 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.504 -3.654 15.783 1.00 0.00 C ATOM 1211 NH1 ARG A 78 4.654 -3.453 16.422 1.00 0.00 N ATOM 1212 NH2 ARG A 78 2.489 -4.227 16.413 1.00 0.00 N ATOM 0 H ARG A 78 5.514 2.073 13.695 1.00 0.00 H new ATOM 0 HA ARG A 78 6.320 -0.730 14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.526 0.408 12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.416 -1.088 11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.619 -0.689 14.293 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.946 -1.183 12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.365 -3.178 12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.271 -2.640 14.090 1.00 0.00 H new ATOM 0 HE ARG A 78 2.418 -3.526 14.099 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.438 -3.016 15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.752 -3.736 17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.609 -4.386 15.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.588 -4.510 17.388 1.00 0.00 H new ATOM 1226 N LYS A 79 8.459 0.060 13.188 1.00 0.00 N ATOM 1227 CA LYS A 79 9.655 0.282 12.383 1.00 0.00 C ATOM 1228 C LYS A 79 9.407 -0.275 10.986 1.00 0.00 C ATOM 1229 O LYS A 79 8.604 -1.199 10.822 1.00 0.00 O ATOM 1230 CB LYS A 79 10.893 -0.359 13.026 1.00 0.00 C ATOM 1231 CG LYS A 79 11.428 0.451 14.214 1.00 0.00 C ATOM 1232 CD LYS A 79 10.814 0.040 15.556 1.00 0.00 C ATOM 1233 CE LYS A 79 11.352 0.986 16.628 1.00 0.00 C ATOM 1234 NZ LYS A 79 11.183 0.432 17.981 1.00 0.00 N ATOM 0 H LYS A 79 8.609 -0.487 14.036 1.00 0.00 H new ATOM 0 HA LYS A 79 9.857 1.351 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.644 -1.366 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.677 -0.458 12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.510 0.333 14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.231 1.509 14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.726 0.094 15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.072 -0.992 15.794 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.409 1.180 16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.835 1.943 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.560 1.103 18.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.172 0.270 18.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.697 -0.469 18.054 1.00 0.00 H new ATOM 1248 N GLY A 80 10.042 0.321 9.984 1.00 0.00 N ATOM 1249 CA GLY A 80 9.810 0.024 8.579 1.00 0.00 C ATOM 1250 C GLY A 80 8.444 0.474 8.036 1.00 0.00 C ATOM 1251 O GLY A 80 8.308 0.595 6.824 1.00 0.00 O ATOM 0 H GLY A 80 10.749 1.041 10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.593 0.500 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.907 -1.051 8.430 1.00 0.00 H new ATOM 1255 N PHE A 81 7.422 0.755 8.859 1.00 0.00 N ATOM 1256 CA PHE A 81 6.091 1.077 8.336 1.00 0.00 C ATOM 1257 C PHE A 81 6.079 2.474 7.730 1.00 0.00 C ATOM 1258 O PHE A 81 5.705 2.657 6.573 1.00 0.00 O ATOM 1259 CB PHE A 81 5.026 0.962 9.432 1.00 0.00 C ATOM 1260 CG PHE A 81 3.604 1.146 8.934 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.089 2.436 8.699 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.797 0.022 8.683 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.797 2.589 8.172 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.490 0.184 8.191 1.00 0.00 C ATOM 1265 CZ PHE A 81 0.992 1.468 7.921 1.00 0.00 C ATOM 0 H PHE A 81 7.492 0.765 9.877 1.00 0.00 H new ATOM 0 HA PHE A 81 5.853 0.355 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.110 -0.016 9.905 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.230 1.707 10.202 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.688 3.306 8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.183 -0.969 8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.420 3.578 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.868 -0.682 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.004 1.592 7.523 1.00 0.00 H new ATOM 1275 N ASN A 82 6.468 3.475 8.526 1.00 0.00 N ATOM 1276 CA ASN A 82 6.480 4.861 8.067 1.00 0.00 C ATOM 1277 C ASN A 82 7.521 5.056 6.961 1.00 0.00 C ATOM 1278 O ASN A 82 7.322 5.896 6.086 1.00 0.00 O ATOM 1279 CB ASN A 82 6.717 5.830 9.239 1.00 0.00 C ATOM 1280 CG ASN A 82 5.452 6.169 10.022 1.00 0.00 C ATOM 1281 OD1 ASN A 82 4.412 6.664 9.383 1.00 0.00 O flip ATOM 1282 ND2 ASN A 82 5.386 6.004 11.233 1.00 0.00 N flip ATOM 0 H ASN A 82 6.778 3.348 9.490 1.00 0.00 H new ATOM 0 HA ASN A 82 5.500 5.089 7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.448 5.392 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.153 6.752 8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.184 5.621 11.740 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.533 6.249 11.735 1.00 0.00 H new ATOM 1289 N GLU A 83 8.577 4.243 6.972 1.00 0.00 N ATOM 1290 CA GLU A 83 9.595 4.130 5.948 1.00 0.00 C ATOM 1291 C GLU A 83 8.993 3.590 4.647 1.00 0.00 C ATOM 1292 O GLU A 83 9.309 4.080 3.568 1.00 0.00 O ATOM 1293 CB GLU A 83 10.640 3.178 6.534 1.00 0.00 C ATOM 1294 CG GLU A 83 11.989 3.187 5.842 1.00 0.00 C ATOM 1295 CD GLU A 83 13.028 2.494 6.725 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.590 3.181 7.612 1.00 0.00 O ATOM 1297 OE2 GLU A 83 13.222 1.261 6.600 1.00 0.00 O ATOM 0 H GLU A 83 8.748 3.607 7.751 1.00 0.00 H new ATOM 0 HA GLU A 83 10.038 5.092 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.788 3.430 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.241 2.164 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.918 2.679 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.297 4.213 5.639 1.00 0.00 H new ATOM 1304 N GLY A 84 8.099 2.603 4.727 1.00 0.00 N ATOM 1305 CA GLY A 84 7.391 2.090 3.569 1.00 0.00 C ATOM 1306 C GLY A 84 6.412 3.113 3.009 1.00 0.00 C ATOM 1307 O GLY A 84 6.261 3.200 1.789 1.00 0.00 O ATOM 0 H GLY A 84 7.850 2.141 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.109 1.813 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.852 1.183 3.844 1.00 0.00 H new ATOM 1311 N LEU A 85 5.782 3.913 3.880 1.00 0.00 N ATOM 1312 CA LEU A 85 4.955 5.029 3.438 1.00 0.00 C ATOM 1313 C LEU A 85 5.796 6.073 2.700 1.00 0.00 C ATOM 1314 O LEU A 85 5.278 6.677 1.768 1.00 0.00 O ATOM 1315 CB LEU A 85 4.157 5.680 4.586 1.00 0.00 C ATOM 1316 CG LEU A 85 2.846 4.970 4.987 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.201 5.721 6.158 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.821 4.902 3.844 1.00 0.00 C ATOM 0 H LEU A 85 5.833 3.803 4.893 1.00 0.00 H new ATOM 0 HA LEU A 85 4.222 4.615 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.801 5.734 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.919 6.705 4.301 1.00 0.00 H new ATOM 0 HG LEU A 85 3.115 3.949 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.275 5.223 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.886 5.729 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.983 6.746 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.923 4.391 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.564 5.912 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.248 4.354 3.004 1.00 0.00 H new ATOM 1330 N TRP A 86 7.070 6.280 3.059 1.00 0.00 N ATOM 1331 CA TRP A 86 7.916 7.219 2.331 1.00 0.00 C ATOM 1332 C TRP A 86 8.038 6.802 0.866 1.00 0.00 C ATOM 1333 O TRP A 86 7.877 7.655 -0.008 1.00 0.00 O ATOM 1334 CB TRP A 86 9.291 7.391 2.999 1.00 0.00 C ATOM 1335 CG TRP A 86 10.164 8.445 2.383 1.00 0.00 C ATOM 1336 CD1 TRP A 86 10.406 9.684 2.858 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.926 8.359 1.151 1.00 0.00 C ATOM 1338 NE1 TRP A 86 11.246 10.360 1.993 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.534 9.611 0.873 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.122 7.334 0.221 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.231 9.848 -0.324 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.783 7.554 -0.995 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.327 8.819 -1.279 1.00 0.00 C ATOM 0 H TRP A 86 7.528 5.813 3.841 1.00 0.00 H new ATOM 0 HA TRP A 86 7.437 8.198 2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 86 9.140 7.634 4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.818 6.437 2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 86 10.004 10.087 3.776 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.608 11.298 2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.753 6.344 0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.688 10.809 -0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.874 6.753 -1.713 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.816 9.000 -2.225 1.00 0.00 H new ATOM 1354 N GLU A 87 8.320 5.520 0.603 1.00 0.00 N ATOM 1355 CA GLU A 87 8.521 5.021 -0.756 1.00 0.00 C ATOM 1356 C GLU A 87 7.223 5.162 -1.534 1.00 0.00 C ATOM 1357 O GLU A 87 7.221 5.848 -2.547 1.00 0.00 O ATOM 1358 CB GLU A 87 9.021 3.572 -0.764 1.00 0.00 C ATOM 1359 CG GLU A 87 10.553 3.499 -0.813 1.00 0.00 C ATOM 1360 CD GLU A 87 11.158 3.519 -2.220 1.00 0.00 C ATOM 1361 OE1 GLU A 87 11.315 4.624 -2.781 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.586 2.457 -2.731 1.00 0.00 O ATOM 0 H GLU A 87 8.414 4.805 1.325 1.00 0.00 H new ATOM 0 HA GLU A 87 9.297 5.617 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.661 3.058 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.604 3.048 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.960 4.337 -0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.875 2.588 -0.309 1.00 0.00 H new ATOM 1369 N ILE A 88 6.124 4.561 -1.064 1.00 0.00 N ATOM 1370 CA ILE A 88 4.887 4.467 -1.842 1.00 0.00 C ATOM 1371 C ILE A 88 4.345 5.856 -2.220 1.00 0.00 C ATOM 1372 O ILE A 88 3.771 6.050 -3.294 1.00 0.00 O ATOM 1373 CB ILE A 88 3.874 3.603 -1.060 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.825 3.003 -2.010 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.201 4.372 0.090 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.029 1.897 -1.321 1.00 0.00 C ATOM 0 H ILE A 88 6.068 4.130 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 88 5.084 3.976 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 88 4.438 2.790 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.147 3.786 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.318 2.603 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.499 3.716 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.961 4.714 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.666 5.232 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.294 1.490 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.707 1.104 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.517 2.306 -0.450 1.00 0.00 H new ATOM 1388 N GLU A 89 4.564 6.841 -1.352 1.00 0.00 N ATOM 1389 CA GLU A 89 4.211 8.227 -1.580 1.00 0.00 C ATOM 1390 C GLU A 89 5.032 8.786 -2.742 1.00 0.00 C ATOM 1391 O GLU A 89 4.451 9.297 -3.702 1.00 0.00 O ATOM 1392 CB GLU A 89 4.381 8.997 -0.262 1.00 0.00 C ATOM 1393 CG GLU A 89 3.147 8.685 0.604 1.00 0.00 C ATOM 1394 CD GLU A 89 3.077 9.374 1.965 1.00 0.00 C ATOM 1395 OE1 GLU A 89 4.102 9.765 2.574 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.931 9.549 2.444 1.00 0.00 O ATOM 0 H GLU A 89 5.005 6.685 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 89 3.168 8.332 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.296 8.693 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.460 10.068 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.256 8.956 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.107 7.608 0.765 1.00 0.00 H new ATOM 1403 N ASN A 90 6.358 8.643 -2.694 1.00 0.00 N ATOM 1404 CA ASN A 90 7.268 9.146 -3.721 1.00 0.00 C ATOM 1405 C ASN A 90 7.230 8.311 -5.012 1.00 0.00 C ATOM 1406 O ASN A 90 7.599 8.809 -6.077 1.00 0.00 O ATOM 1407 CB ASN A 90 8.686 9.247 -3.135 1.00 0.00 C ATOM 1408 CG ASN A 90 8.783 10.442 -2.191 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.706 11.592 -2.621 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.874 10.231 -0.888 1.00 0.00 N ATOM 0 H ASN A 90 6.835 8.167 -1.928 1.00 0.00 H new ATOM 0 HA ASN A 90 6.935 10.141 -4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.932 8.330 -2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.413 9.350 -3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.880 11.021 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.938 9.278 -0.529 1.00 0.00 H new ATOM 1417 N SER A 91 6.741 7.073 -4.974 1.00 0.00 N ATOM 1418 CA SER A 91 6.527 6.185 -6.111 1.00 0.00 C ATOM 1419 C SER A 91 5.170 6.411 -6.806 1.00 0.00 C ATOM 1420 O SER A 91 4.839 5.716 -7.771 1.00 0.00 O ATOM 1421 CB SER A 91 6.662 4.753 -5.588 1.00 0.00 C ATOM 1422 OG SER A 91 7.992 4.503 -5.157 1.00 0.00 O ATOM 0 H SER A 91 6.467 6.638 -4.093 1.00 0.00 H new ATOM 0 HA SER A 91 7.269 6.392 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.970 4.595 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.389 4.046 -6.372 1.00 0.00 H new ATOM 0 HG SER A 91 8.111 4.848 -4.248 1.00 0.00 H new ATOM 1428 N GLY A 92 4.370 7.382 -6.361 1.00 0.00 N ATOM 1429 CA GLY A 92 3.095 7.742 -6.959 1.00 0.00 C ATOM 1430 C GLY A 92 2.891 9.257 -6.895 1.00 0.00 C ATOM 1431 O GLY A 92 3.867 10.002 -6.750 1.00 0.00 O ATOM 0 H GLY A 92 4.604 7.954 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.064 7.407 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.284 7.236 -6.436 1.00 0.00 H new ATOM 1435 N PRO A 93 1.656 9.744 -7.073 1.00 0.00 N ATOM 1436 CA PRO A 93 1.357 11.163 -7.093 1.00 0.00 C ATOM 1437 C PRO A 93 1.418 11.699 -5.663 1.00 0.00 C ATOM 1438 O PRO A 93 0.445 11.606 -4.906 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.030 11.277 -7.724 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.701 9.960 -7.334 1.00 0.00 C ATOM 1441 CD PRO A 93 0.442 8.954 -7.193 1.00 0.00 C ATOM 0 HA PRO A 93 2.067 11.757 -7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.578 12.137 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.028 11.394 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.254 10.061 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.414 9.641 -8.094 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.300 8.321 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.490 8.293 -8.059 1.00 0.00 H new ATOM 1449 N SER A 94 2.572 12.229 -5.270 1.00 0.00 N ATOM 1450 CA SER A 94 2.739 12.845 -3.968 1.00 0.00 C ATOM 1451 C SER A 94 1.870 14.106 -3.873 1.00 0.00 C ATOM 1452 O SER A 94 1.242 14.337 -2.832 1.00 0.00 O ATOM 1453 CB SER A 94 4.226 13.132 -3.731 1.00 0.00 C ATOM 1454 OG SER A 94 4.416 13.488 -2.381 1.00 0.00 O ATOM 0 H SER A 94 3.413 12.241 -5.847 1.00 0.00 H new ATOM 0 HA SER A 94 2.405 12.170 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.823 12.253 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.562 13.938 -4.384 1.00 0.00 H new ATOM 0 HG SER A 94 5.365 13.672 -2.222 1.00 0.00 H new ATOM 1460 N SER A 95 1.798 14.903 -4.948 1.00 0.00 N ATOM 1461 CA SER A 95 1.121 16.200 -4.958 1.00 0.00 C ATOM 1462 C SER A 95 1.643 17.092 -3.814 1.00 0.00 C ATOM 1463 O SER A 95 2.806 16.960 -3.422 1.00 0.00 O ATOM 1464 CB SER A 95 -0.397 15.968 -4.932 1.00 0.00 C ATOM 1465 OG SER A 95 -0.793 15.070 -5.948 1.00 0.00 O ATOM 0 H SER A 95 2.215 14.658 -5.846 1.00 0.00 H new ATOM 0 HA SER A 95 1.345 16.748 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.691 15.574 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.915 16.918 -5.060 1.00 0.00 H new ATOM 0 HG SER A 95 -1.763 14.938 -5.908 1.00 0.00 H new ATOM 1471 N GLY A 96 0.832 18.016 -3.297 1.00 0.00 N ATOM 1472 CA GLY A 96 1.254 19.047 -2.362 1.00 0.00 C ATOM 1473 C GLY A 96 1.562 20.272 -3.187 1.00 0.00 C ATOM 1474 O GLY A 96 0.668 20.693 -3.959 1.00 0.00 O ATOM 0 H GLY A 96 -0.161 18.065 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.469 19.256 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.132 18.726 -1.801 1.00 0.00 H new TER 1478 GLY A 96