USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 32 TYR OH : rot -24:sc= 1.08 USER MOD Set 1.2: A 73 SER OG : rot -100:sc= 0.926 USER MOD Set 2.1: A 39 ASN : amide:sc= 0.578 K(o=1.2,f=-2.3) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -165:sc= 0.608 (180deg=0) USER MOD Set 3.1: A 15 TYR OH : rot -133:sc= 0.26 USER MOD Set 3.2: A 27 MET CE :methyl 160:sc=-0.00721 (180deg=-0.564) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0464 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= -1.22 (180deg=-3.73!) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0.865 (180deg=0.861) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.078) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0442 F(o=-0.68,f=-0.044) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.728 (180deg=0.648) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0.703 (180deg=0.702) USER MOD Single : A 41 MET CE :methyl -117:sc= -1.03 (180deg=-3.19!) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.869 (180deg=0.305) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0.122 (180deg=0.0719) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0519) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.11) USER MOD Single : A 84 SER OG : rot -153:sc= 0.508 USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000298) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 93 LYS NZ :NH3+ -171:sc= -0.681 (180deg=-1.01) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.644 -19.400 2.499 1.00 10.00 N ATOM 2 CA GLY A 1 -15.136 -18.045 2.135 1.00 23.15 C ATOM 3 C GLY A 1 -14.551 -16.959 3.018 1.00 51.53 C ATOM 4 O GLY A 1 -14.091 -17.248 4.129 1.00 55.04 O ATOM 0 H1 GLY A 1 -14.025 -19.759 1.744 1.00 10.00 H new ATOM 0 H2 GLY A 1 -14.110 -19.348 3.390 1.00 10.00 H new ATOM 0 H3 GLY A 1 -15.453 -20.043 2.618 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -14.885 -17.838 1.095 1.00 23.15 H new ATOM 0 HA3 GLY A 1 -16.223 -18.024 2.211 1.00 23.15 H new ATOM 10 N GLY A 2 -14.571 -15.706 2.518 1.00 5.25 N ATOM 11 CA GLY A 2 -14.161 -14.528 3.300 1.00 35.24 C ATOM 12 C GLY A 2 -12.654 -14.423 3.530 1.00 5.51 C ATOM 13 O GLY A 2 -12.222 -13.866 4.540 1.00 10.12 O ATOM 0 H GLY A 2 -14.870 -15.486 1.568 1.00 5.25 H new ATOM 0 HA2 GLY A 2 -14.503 -13.629 2.788 1.00 35.24 H new ATOM 0 HA3 GLY A 2 -14.664 -14.554 4.267 1.00 35.24 H new ATOM 17 N SER A 3 -11.867 -14.964 2.589 1.00 10.51 N ATOM 18 CA SER A 3 -10.388 -14.956 2.640 1.00 73.03 C ATOM 19 C SER A 3 -9.820 -13.504 2.556 1.00 53.20 C ATOM 20 O SER A 3 -10.555 -12.592 2.133 1.00 13.30 O ATOM 21 CB SER A 3 -9.869 -15.846 1.488 1.00 72.12 C ATOM 22 OG SER A 3 -10.319 -15.386 0.230 1.00 64.43 O ATOM 0 H SER A 3 -12.239 -15.426 1.759 1.00 10.51 H new ATOM 0 HA SER A 3 -10.045 -15.355 3.594 1.00 73.03 H new ATOM 0 HB2 SER A 3 -8.779 -15.861 1.502 1.00 72.12 H new ATOM 0 HB3 SER A 3 -10.203 -16.872 1.641 1.00 72.12 H new ATOM 0 HG SER A 3 -9.971 -15.971 -0.476 1.00 64.43 H new ATOM 28 N PRO A 4 -8.503 -13.254 2.935 1.00 1.53 N ATOM 29 CA PRO A 4 -7.914 -11.877 2.988 1.00 45.11 C ATOM 30 C PRO A 4 -8.028 -11.067 1.676 1.00 63.22 C ATOM 31 O PRO A 4 -7.869 -9.854 1.709 1.00 43.43 O ATOM 32 CB PRO A 4 -6.418 -12.118 3.369 1.00 75.23 C ATOM 33 CG PRO A 4 -6.174 -13.576 3.111 1.00 35.13 C ATOM 34 CD PRO A 4 -7.496 -14.260 3.389 1.00 35.11 C ATOM 0 HA PRO A 4 -8.462 -11.264 3.703 1.00 45.11 H new ATOM 0 HB2 PRO A 4 -5.754 -11.496 2.769 1.00 75.23 H new ATOM 0 HB3 PRO A 4 -6.233 -11.867 4.413 1.00 75.23 H new ATOM 0 HG2 PRO A 4 -5.853 -13.745 2.083 1.00 35.13 H new ATOM 0 HG3 PRO A 4 -5.387 -13.963 3.758 1.00 35.13 H new ATOM 0 HD2 PRO A 4 -7.588 -15.197 2.840 1.00 35.11 H new ATOM 0 HD3 PRO A 4 -7.612 -14.497 4.447 1.00 35.11 H new ATOM 42 N ASP A 5 -8.311 -11.749 0.544 1.00 21.43 N ATOM 43 CA ASP A 5 -8.462 -11.110 -0.784 1.00 74.12 C ATOM 44 C ASP A 5 -9.742 -10.245 -0.851 1.00 33.54 C ATOM 45 O ASP A 5 -9.764 -9.181 -1.479 1.00 53.34 O ATOM 46 CB ASP A 5 -8.457 -12.204 -1.895 1.00 44.34 C ATOM 47 CG ASP A 5 -8.115 -11.654 -3.289 1.00 24.20 C ATOM 48 OD1 ASP A 5 -6.912 -11.419 -3.565 1.00 52.24 O ATOM 49 OD2 ASP A 5 -9.029 -11.462 -4.117 1.00 13.41 O ATOM 0 H ASP A 5 -8.442 -12.760 0.525 1.00 21.43 H new ATOM 0 HA ASP A 5 -7.618 -10.440 -0.948 1.00 74.12 H new ATOM 0 HB2 ASP A 5 -7.736 -12.977 -1.630 1.00 44.34 H new ATOM 0 HB3 ASP A 5 -9.437 -12.680 -1.930 1.00 44.34 H new ATOM 54 N GLU A 6 -10.816 -10.719 -0.186 1.00 22.14 N ATOM 55 CA GLU A 6 -12.084 -9.965 -0.046 1.00 63.01 C ATOM 56 C GLU A 6 -11.923 -8.815 0.974 1.00 34.22 C ATOM 57 O GLU A 6 -12.594 -7.780 0.874 1.00 0.54 O ATOM 58 CB GLU A 6 -13.267 -10.889 0.385 1.00 13.41 C ATOM 59 CG GLU A 6 -13.679 -11.985 -0.638 1.00 4.04 C ATOM 60 CD GLU A 6 -12.780 -13.241 -0.649 1.00 72.25 C ATOM 61 OE1 GLU A 6 -11.716 -13.226 -1.301 1.00 60.42 O ATOM 62 OE2 GLU A 6 -13.145 -14.258 -0.014 1.00 21.33 O ATOM 0 H GLU A 6 -10.831 -11.632 0.268 1.00 22.14 H new ATOM 0 HA GLU A 6 -12.320 -9.550 -1.026 1.00 63.01 H new ATOM 0 HB2 GLU A 6 -12.999 -11.376 1.322 1.00 13.41 H new ATOM 0 HB3 GLU A 6 -14.136 -10.263 0.588 1.00 13.41 H new ATOM 0 HG2 GLU A 6 -14.703 -12.292 -0.426 1.00 4.04 H new ATOM 0 HG3 GLU A 6 -13.678 -11.547 -1.636 1.00 4.04 H new ATOM 69 N ASN A 7 -11.025 -9.028 1.953 1.00 2.24 N ATOM 70 CA ASN A 7 -10.662 -8.019 2.967 1.00 24.55 C ATOM 71 C ASN A 7 -9.806 -6.891 2.328 1.00 44.13 C ATOM 72 O ASN A 7 -9.863 -5.735 2.743 1.00 12.43 O ATOM 73 CB ASN A 7 -9.903 -8.715 4.127 1.00 14.14 C ATOM 74 CG ASN A 7 -9.499 -7.777 5.262 1.00 50.42 C ATOM 75 OD1 ASN A 7 -10.214 -6.825 5.589 1.00 74.23 O ATOM 76 ND2 ASN A 7 -8.347 -8.026 5.858 1.00 24.13 N ATOM 0 H ASN A 7 -10.527 -9.911 2.064 1.00 2.24 H new ATOM 0 HA ASN A 7 -11.565 -7.557 3.366 1.00 24.55 H new ATOM 0 HB2 ASN A 7 -10.531 -9.509 4.532 1.00 14.14 H new ATOM 0 HB3 ASN A 7 -9.007 -9.190 3.727 1.00 14.14 H new ATOM 0 HD21 ASN A 7 -8.023 -7.423 6.614 1.00 24.13 H new ATOM 0 HD22 ASN A 7 -7.781 -8.822 5.562 1.00 24.13 H new ATOM 83 N ILE A 8 -9.053 -7.261 1.289 1.00 11.13 N ATOM 84 CA ILE A 8 -8.266 -6.333 0.453 1.00 40.14 C ATOM 85 C ILE A 8 -9.210 -5.424 -0.352 1.00 72.55 C ATOM 86 O ILE A 8 -9.000 -4.210 -0.419 1.00 73.22 O ATOM 87 CB ILE A 8 -7.290 -7.165 -0.476 1.00 5.31 C ATOM 88 CG1 ILE A 8 -6.088 -7.679 0.373 1.00 74.33 C ATOM 89 CG2 ILE A 8 -6.825 -6.385 -1.725 1.00 11.23 C ATOM 90 CD1 ILE A 8 -5.232 -8.728 -0.302 1.00 44.31 C ATOM 0 H ILE A 8 -8.967 -8.234 0.994 1.00 11.13 H new ATOM 0 HA ILE A 8 -7.654 -5.684 1.080 1.00 40.14 H new ATOM 0 HB ILE A 8 -7.845 -8.017 -0.868 1.00 5.31 H new ATOM 0 HG12 ILE A 8 -5.457 -6.829 0.634 1.00 74.33 H new ATOM 0 HG13 ILE A 8 -6.471 -8.090 1.307 1.00 74.33 H new ATOM 0 HG21 ILE A 8 -6.159 -7.012 -2.318 1.00 11.23 H new ATOM 0 HG22 ILE A 8 -7.692 -6.108 -2.324 1.00 11.23 H new ATOM 0 HG23 ILE A 8 -6.295 -5.484 -1.415 1.00 11.23 H new ATOM 0 HD11 ILE A 8 -4.423 -9.022 0.366 1.00 44.31 H new ATOM 0 HD12 ILE A 8 -5.843 -9.599 -0.538 1.00 44.31 H new ATOM 0 HD13 ILE A 8 -4.813 -8.319 -1.221 1.00 44.31 H new ATOM 102 N ALA A 9 -10.270 -6.033 -0.909 1.00 31.34 N ATOM 103 CA ALA A 9 -11.349 -5.310 -1.608 1.00 2.33 C ATOM 104 C ALA A 9 -12.065 -4.319 -0.660 1.00 60.14 C ATOM 105 O ALA A 9 -12.457 -3.221 -1.069 1.00 13.33 O ATOM 106 CB ALA A 9 -12.345 -6.320 -2.189 1.00 63.33 C ATOM 0 H ALA A 9 -10.404 -7.044 -0.888 1.00 31.34 H new ATOM 0 HA ALA A 9 -10.912 -4.727 -2.419 1.00 2.33 H new ATOM 0 HB1 ALA A 9 -13.143 -5.788 -2.706 1.00 63.33 H new ATOM 0 HB2 ALA A 9 -11.831 -6.975 -2.892 1.00 63.33 H new ATOM 0 HB3 ALA A 9 -12.770 -6.917 -1.382 1.00 63.33 H new ATOM 112 N LYS A 10 -12.215 -4.735 0.616 1.00 35.31 N ATOM 113 CA LYS A 10 -12.777 -3.900 1.697 1.00 74.20 C ATOM 114 C LYS A 10 -11.894 -2.658 1.938 1.00 14.33 C ATOM 115 O LYS A 10 -12.402 -1.534 2.025 1.00 60.04 O ATOM 116 CB LYS A 10 -12.888 -4.745 2.996 1.00 71.35 C ATOM 117 CG LYS A 10 -13.492 -4.018 4.220 1.00 71.24 C ATOM 118 CD LYS A 10 -13.378 -4.850 5.522 1.00 75.33 C ATOM 119 CE LYS A 10 -14.013 -6.256 5.421 1.00 60.34 C ATOM 120 NZ LYS A 10 -15.465 -6.220 5.079 1.00 71.23 N ATOM 0 H LYS A 10 -11.947 -5.669 0.926 1.00 35.31 H new ATOM 0 HA LYS A 10 -13.769 -3.557 1.404 1.00 74.20 H new ATOM 0 HB2 LYS A 10 -13.495 -5.625 2.784 1.00 71.35 H new ATOM 0 HB3 LYS A 10 -11.893 -5.100 3.262 1.00 71.35 H new ATOM 0 HG2 LYS A 10 -12.985 -3.063 4.358 1.00 71.24 H new ATOM 0 HG3 LYS A 10 -14.541 -3.796 4.025 1.00 71.24 H new ATOM 0 HD2 LYS A 10 -12.325 -4.955 5.784 1.00 75.33 H new ATOM 0 HD3 LYS A 10 -13.856 -4.303 6.335 1.00 75.33 H new ATOM 0 HE2 LYS A 10 -13.482 -6.834 4.665 1.00 60.34 H new ATOM 0 HE3 LYS A 10 -13.882 -6.776 6.370 1.00 60.34 H new ATOM 0 HZ1 LYS A 10 -15.833 -7.191 5.026 1.00 71.23 H new ATOM 0 HZ2 LYS A 10 -15.981 -5.694 5.812 1.00 71.23 H new ATOM 0 HZ3 LYS A 10 -15.594 -5.750 4.160 1.00 71.23 H new ATOM 134 N PHE A 11 -10.564 -2.883 2.006 1.00 63.43 N ATOM 135 CA PHE A 11 -9.568 -1.812 2.223 1.00 20.41 C ATOM 136 C PHE A 11 -9.489 -0.850 1.017 1.00 43.52 C ATOM 137 O PHE A 11 -9.120 0.310 1.183 1.00 65.55 O ATOM 138 CB PHE A 11 -8.158 -2.401 2.499 1.00 3.40 C ATOM 139 CG PHE A 11 -7.979 -3.184 3.806 1.00 41.04 C ATOM 140 CD1 PHE A 11 -8.596 -2.777 4.992 1.00 22.23 C ATOM 141 CD2 PHE A 11 -7.163 -4.320 3.845 1.00 22.40 C ATOM 142 CE1 PHE A 11 -8.401 -3.481 6.166 1.00 24.01 C ATOM 143 CE2 PHE A 11 -6.968 -5.017 5.020 1.00 73.14 C ATOM 144 CZ PHE A 11 -7.590 -4.602 6.178 1.00 3.23 C ATOM 0 H PHE A 11 -10.151 -3.811 1.912 1.00 63.43 H new ATOM 0 HA PHE A 11 -9.901 -1.252 3.097 1.00 20.41 H new ATOM 0 HB2 PHE A 11 -7.897 -3.059 1.670 1.00 3.40 H new ATOM 0 HB3 PHE A 11 -7.440 -1.581 2.493 1.00 3.40 H new ATOM 0 HD1 PHE A 11 -9.232 -1.904 4.992 1.00 22.23 H new ATOM 0 HD2 PHE A 11 -6.678 -4.657 2.941 1.00 22.40 H new ATOM 0 HE1 PHE A 11 -8.883 -3.155 7.076 1.00 24.01 H new ATOM 0 HE2 PHE A 11 -6.328 -5.887 5.032 1.00 73.14 H new ATOM 0 HZ PHE A 11 -7.444 -5.152 7.096 1.00 3.23 H new ATOM 154 N GLU A 12 -9.809 -1.356 -0.194 1.00 4.21 N ATOM 155 CA GLU A 12 -9.847 -0.543 -1.433 1.00 73.24 C ATOM 156 C GLU A 12 -11.050 0.412 -1.431 1.00 33.12 C ATOM 157 O GLU A 12 -10.963 1.523 -1.959 1.00 4.24 O ATOM 158 CB GLU A 12 -9.866 -1.449 -2.695 1.00 64.33 C ATOM 159 CG GLU A 12 -8.538 -2.191 -2.962 1.00 32.52 C ATOM 160 CD GLU A 12 -8.589 -3.117 -4.184 1.00 34.32 C ATOM 161 OE1 GLU A 12 -9.049 -2.676 -5.265 1.00 41.24 O ATOM 162 OE2 GLU A 12 -8.167 -4.285 -4.082 1.00 73.13 O ATOM 0 H GLU A 12 -10.048 -2.337 -0.342 1.00 4.21 H new ATOM 0 HA GLU A 12 -8.939 0.059 -1.462 1.00 73.24 H new ATOM 0 HB2 GLU A 12 -10.665 -2.183 -2.589 1.00 64.33 H new ATOM 0 HB3 GLU A 12 -10.108 -0.837 -3.564 1.00 64.33 H new ATOM 0 HG2 GLU A 12 -7.744 -1.458 -3.104 1.00 32.52 H new ATOM 0 HG3 GLU A 12 -8.276 -2.778 -2.082 1.00 32.52 H new ATOM 169 N LYS A 13 -12.165 -0.030 -0.816 1.00 61.52 N ATOM 170 CA LYS A 13 -13.353 0.815 -0.616 1.00 2.34 C ATOM 171 C LYS A 13 -13.034 1.916 0.413 1.00 31.35 C ATOM 172 O LYS A 13 -13.319 3.094 0.188 1.00 50.24 O ATOM 173 CB LYS A 13 -14.554 -0.046 -0.149 1.00 4.23 C ATOM 174 CG LYS A 13 -15.875 0.742 0.019 1.00 22.30 C ATOM 175 CD LYS A 13 -17.045 -0.098 0.602 1.00 41.34 C ATOM 176 CE LYS A 13 -16.831 -0.558 2.063 1.00 64.20 C ATOM 177 NZ LYS A 13 -15.824 -1.649 2.193 1.00 72.03 N ATOM 0 H LYS A 13 -12.265 -0.976 -0.447 1.00 61.52 H new ATOM 0 HA LYS A 13 -13.625 1.286 -1.561 1.00 2.34 H new ATOM 0 HB2 LYS A 13 -14.712 -0.849 -0.869 1.00 4.23 H new ATOM 0 HB3 LYS A 13 -14.301 -0.516 0.802 1.00 4.23 H new ATOM 0 HG2 LYS A 13 -15.695 1.597 0.671 1.00 22.30 H new ATOM 0 HG3 LYS A 13 -16.175 1.139 -0.951 1.00 22.30 H new ATOM 0 HD2 LYS A 13 -17.961 0.490 0.549 1.00 41.34 H new ATOM 0 HD3 LYS A 13 -17.194 -0.977 -0.025 1.00 41.34 H new ATOM 0 HE2 LYS A 13 -16.513 0.295 2.663 1.00 64.20 H new ATOM 0 HE3 LYS A 13 -17.782 -0.899 2.473 1.00 64.20 H new ATOM 0 HZ1 LYS A 13 -16.195 -2.390 2.821 1.00 72.03 H new ATOM 0 HZ2 LYS A 13 -15.629 -2.055 1.256 1.00 72.03 H new ATOM 0 HZ3 LYS A 13 -14.945 -1.264 2.593 1.00 72.03 H new ATOM 191 N ALA A 14 -12.392 1.508 1.526 1.00 60.22 N ATOM 192 CA ALA A 14 -11.916 2.433 2.577 1.00 62.14 C ATOM 193 C ALA A 14 -10.847 3.401 2.029 1.00 3.15 C ATOM 194 O ALA A 14 -10.719 4.539 2.505 1.00 2.33 O ATOM 195 CB ALA A 14 -11.361 1.639 3.768 1.00 24.24 C ATOM 0 H ALA A 14 -12.188 0.528 1.723 1.00 60.22 H new ATOM 0 HA ALA A 14 -12.764 3.030 2.913 1.00 62.14 H new ATOM 0 HB1 ALA A 14 -11.013 2.330 4.536 1.00 24.24 H new ATOM 0 HB2 ALA A 14 -12.146 1.004 4.180 1.00 24.24 H new ATOM 0 HB3 ALA A 14 -10.529 1.018 3.435 1.00 24.24 H new ATOM 201 N TYR A 15 -10.089 2.931 1.012 1.00 15.42 N ATOM 202 CA TYR A 15 -9.112 3.754 0.295 1.00 32.01 C ATOM 203 C TYR A 15 -9.826 4.813 -0.547 1.00 74.35 C ATOM 204 O TYR A 15 -9.394 5.962 -0.579 1.00 25.10 O ATOM 205 CB TYR A 15 -8.180 2.898 -0.618 1.00 53.15 C ATOM 206 CG TYR A 15 -7.362 3.752 -1.600 1.00 30.51 C ATOM 207 CD1 TYR A 15 -6.431 4.684 -1.133 1.00 54.14 C ATOM 208 CD2 TYR A 15 -7.591 3.704 -2.980 1.00 54.55 C ATOM 209 CE1 TYR A 15 -5.746 5.502 -2.001 1.00 33.51 C ATOM 210 CE2 TYR A 15 -6.910 4.534 -3.845 1.00 11.44 C ATOM 211 CZ TYR A 15 -5.994 5.436 -3.348 1.00 42.13 C ATOM 212 OH TYR A 15 -5.319 6.274 -4.206 1.00 24.21 O ATOM 0 H TYR A 15 -10.144 1.971 0.672 1.00 15.42 H new ATOM 0 HA TYR A 15 -8.489 4.240 1.046 1.00 32.01 H new ATOM 0 HB2 TYR A 15 -7.500 2.318 0.006 1.00 53.15 H new ATOM 0 HB3 TYR A 15 -8.784 2.185 -1.179 1.00 53.15 H new ATOM 0 HD1 TYR A 15 -6.246 4.763 -0.072 1.00 54.14 H new ATOM 0 HD2 TYR A 15 -8.314 3.005 -3.374 1.00 54.55 H new ATOM 0 HE1 TYR A 15 -5.012 6.197 -1.621 1.00 33.51 H new ATOM 0 HE2 TYR A 15 -7.094 4.478 -4.908 1.00 11.44 H new ATOM 0 HH TYR A 15 -5.953 6.678 -4.835 1.00 24.21 H new ATOM 222 N LYS A 16 -10.896 4.406 -1.257 1.00 14.53 N ATOM 223 CA LYS A 16 -11.670 5.325 -2.102 1.00 54.32 C ATOM 224 C LYS A 16 -12.229 6.487 -1.275 1.00 45.24 C ATOM 225 O LYS A 16 -12.134 7.621 -1.700 1.00 71.50 O ATOM 226 CB LYS A 16 -12.800 4.578 -2.866 1.00 45.11 C ATOM 227 CG LYS A 16 -12.304 3.724 -4.062 1.00 1.53 C ATOM 228 CD LYS A 16 -11.673 4.557 -5.208 1.00 70.53 C ATOM 229 CE LYS A 16 -12.666 5.556 -5.827 1.00 54.33 C ATOM 230 NZ LYS A 16 -12.085 6.262 -7.000 1.00 33.40 N ATOM 0 H LYS A 16 -11.241 3.446 -1.260 1.00 14.53 H new ATOM 0 HA LYS A 16 -10.994 5.741 -2.849 1.00 54.32 H new ATOM 0 HB2 LYS A 16 -13.329 3.930 -2.167 1.00 45.11 H new ATOM 0 HB3 LYS A 16 -13.521 5.309 -3.231 1.00 45.11 H new ATOM 0 HG2 LYS A 16 -11.569 3.004 -3.702 1.00 1.53 H new ATOM 0 HG3 LYS A 16 -13.142 3.152 -4.460 1.00 1.53 H new ATOM 0 HD2 LYS A 16 -10.808 5.099 -4.825 1.00 70.53 H new ATOM 0 HD3 LYS A 16 -11.309 3.884 -5.984 1.00 70.53 H new ATOM 0 HE2 LYS A 16 -13.569 5.028 -6.132 1.00 54.33 H new ATOM 0 HE3 LYS A 16 -12.963 6.286 -5.074 1.00 54.33 H new ATOM 0 HZ1 LYS A 16 -12.802 6.888 -7.419 1.00 33.40 H new ATOM 0 HZ2 LYS A 16 -11.267 6.828 -6.695 1.00 33.40 H new ATOM 0 HZ3 LYS A 16 -11.779 5.565 -7.708 1.00 33.40 H new ATOM 244 N LYS A 17 -12.714 6.191 -0.053 1.00 12.40 N ATOM 245 CA LYS A 17 -13.218 7.216 0.887 1.00 0.10 C ATOM 246 C LYS A 17 -12.095 8.215 1.236 1.00 73.24 C ATOM 247 O LYS A 17 -12.283 9.437 1.169 1.00 31.41 O ATOM 248 CB LYS A 17 -13.754 6.550 2.187 1.00 0.21 C ATOM 249 CG LYS A 17 -14.424 7.532 3.179 1.00 14.22 C ATOM 250 CD LYS A 17 -15.702 8.178 2.595 1.00 55.35 C ATOM 251 CE LYS A 17 -16.341 9.212 3.541 1.00 20.42 C ATOM 252 NZ LYS A 17 -17.641 9.717 3.014 1.00 40.32 N ATOM 0 H LYS A 17 -12.768 5.240 0.311 1.00 12.40 H new ATOM 0 HA LYS A 17 -14.036 7.751 0.405 1.00 0.10 H new ATOM 0 HB2 LYS A 17 -14.475 5.779 1.915 1.00 0.21 H new ATOM 0 HB3 LYS A 17 -12.928 6.050 2.692 1.00 0.21 H new ATOM 0 HG2 LYS A 17 -14.675 7.002 4.097 1.00 14.22 H new ATOM 0 HG3 LYS A 17 -13.714 8.315 3.447 1.00 14.22 H new ATOM 0 HD2 LYS A 17 -15.458 8.661 1.649 1.00 55.35 H new ATOM 0 HD3 LYS A 17 -16.429 7.397 2.375 1.00 55.35 H new ATOM 0 HE2 LYS A 17 -16.497 8.760 4.521 1.00 20.42 H new ATOM 0 HE3 LYS A 17 -15.656 10.048 3.681 1.00 20.42 H new ATOM 0 HZ1 LYS A 17 -18.039 10.411 3.679 1.00 40.32 H new ATOM 0 HZ2 LYS A 17 -17.489 10.171 2.091 1.00 40.32 H new ATOM 0 HZ3 LYS A 17 -18.303 8.923 2.904 1.00 40.32 H new ATOM 266 N ALA A 18 -10.918 7.649 1.558 1.00 64.21 N ATOM 267 CA ALA A 18 -9.690 8.405 1.853 1.00 30.55 C ATOM 268 C ALA A 18 -9.291 9.337 0.683 1.00 33.32 C ATOM 269 O ALA A 18 -8.898 10.490 0.892 1.00 71.02 O ATOM 270 CB ALA A 18 -8.560 7.411 2.139 1.00 33.12 C ATOM 0 H ALA A 18 -10.793 6.639 1.621 1.00 64.21 H new ATOM 0 HA ALA A 18 -9.872 9.038 2.722 1.00 30.55 H new ATOM 0 HB1 ALA A 18 -7.643 7.957 2.360 1.00 33.12 H new ATOM 0 HB2 ALA A 18 -8.828 6.791 2.995 1.00 33.12 H new ATOM 0 HB3 ALA A 18 -8.404 6.777 1.266 1.00 33.12 H new ATOM 276 N GLU A 19 -9.441 8.805 -0.546 1.00 11.42 N ATOM 277 CA GLU A 19 -9.015 9.446 -1.804 1.00 44.33 C ATOM 278 C GLU A 19 -9.958 10.593 -2.196 1.00 43.23 C ATOM 279 O GLU A 19 -9.508 11.638 -2.684 1.00 1.12 O ATOM 280 CB GLU A 19 -8.969 8.367 -2.924 1.00 12.45 C ATOM 281 CG GLU A 19 -8.472 8.883 -4.287 1.00 1.10 C ATOM 282 CD GLU A 19 -8.699 7.879 -5.424 1.00 41.50 C ATOM 283 OE1 GLU A 19 -9.844 7.775 -5.897 1.00 44.31 O ATOM 284 OE2 GLU A 19 -7.741 7.192 -5.850 1.00 13.15 O ATOM 0 H GLU A 19 -9.873 7.893 -0.694 1.00 11.42 H new ATOM 0 HA GLU A 19 -8.024 9.879 -1.665 1.00 44.33 H new ATOM 0 HB2 GLU A 19 -8.321 7.552 -2.600 1.00 12.45 H new ATOM 0 HB3 GLU A 19 -9.968 7.949 -3.050 1.00 12.45 H new ATOM 0 HG2 GLU A 19 -8.983 9.816 -4.525 1.00 1.10 H new ATOM 0 HG3 GLU A 19 -7.408 9.111 -4.218 1.00 1.10 H new ATOM 291 N GLU A 20 -11.263 10.401 -1.943 1.00 54.41 N ATOM 292 CA GLU A 20 -12.291 11.418 -2.245 1.00 50.11 C ATOM 293 C GLU A 20 -12.178 12.605 -1.276 1.00 40.24 C ATOM 294 O GLU A 20 -12.610 13.720 -1.584 1.00 10.45 O ATOM 295 CB GLU A 20 -13.715 10.809 -2.186 1.00 3.35 C ATOM 296 CG GLU A 20 -13.952 9.602 -3.123 1.00 61.05 C ATOM 297 CD GLU A 20 -13.600 9.866 -4.596 1.00 42.12 C ATOM 298 OE1 GLU A 20 -14.467 10.380 -5.340 1.00 61.23 O ATOM 299 OE2 GLU A 20 -12.462 9.555 -5.022 1.00 43.13 O ATOM 0 H GLU A 20 -11.635 9.547 -1.528 1.00 54.41 H new ATOM 0 HA GLU A 20 -12.117 11.777 -3.260 1.00 50.11 H new ATOM 0 HB2 GLU A 20 -13.918 10.499 -1.161 1.00 3.35 H new ATOM 0 HB3 GLU A 20 -14.437 11.588 -2.433 1.00 3.35 H new ATOM 0 HG2 GLU A 20 -13.361 8.758 -2.766 1.00 61.05 H new ATOM 0 HG3 GLU A 20 -15.000 9.307 -3.059 1.00 61.05 H new ATOM 306 N LEU A 21 -11.609 12.335 -0.093 1.00 62.24 N ATOM 307 CA LEU A 21 -11.287 13.362 0.906 1.00 2.31 C ATOM 308 C LEU A 21 -9.838 13.890 0.703 1.00 62.30 C ATOM 309 O LEU A 21 -9.429 14.849 1.365 1.00 34.24 O ATOM 310 CB LEU A 21 -11.492 12.766 2.330 1.00 21.43 C ATOM 311 CG LEU A 21 -12.948 12.274 2.664 1.00 21.44 C ATOM 312 CD1 LEU A 21 -13.024 11.604 4.060 1.00 42.01 C ATOM 313 CD2 LEU A 21 -13.973 13.421 2.545 1.00 62.05 C ATOM 0 H LEU A 21 -11.358 11.391 0.199 1.00 62.24 H new ATOM 0 HA LEU A 21 -11.954 14.216 0.787 1.00 2.31 H new ATOM 0 HB2 LEU A 21 -10.808 11.926 2.454 1.00 21.43 H new ATOM 0 HB3 LEU A 21 -11.207 13.520 3.063 1.00 21.43 H new ATOM 0 HG LEU A 21 -13.206 11.517 1.923 1.00 21.44 H new ATOM 0 HD11 LEU A 21 -14.046 11.278 4.252 1.00 42.01 H new ATOM 0 HD12 LEU A 21 -12.358 10.742 4.087 1.00 42.01 H new ATOM 0 HD13 LEU A 21 -12.722 12.320 4.824 1.00 42.01 H new ATOM 0 HD21 LEU A 21 -14.968 13.046 2.783 1.00 62.05 H new ATOM 0 HD22 LEU A 21 -13.710 14.218 3.241 1.00 62.05 H new ATOM 0 HD23 LEU A 21 -13.966 13.811 1.527 1.00 62.05 H new ATOM 325 N ASN A 22 -9.078 13.224 -0.203 1.00 13.51 N ATOM 326 CA ASN A 22 -7.711 13.627 -0.650 1.00 33.40 C ATOM 327 C ASN A 22 -6.723 13.675 0.549 1.00 64.01 C ATOM 328 O ASN A 22 -5.768 14.456 0.585 1.00 33.32 O ATOM 329 CB ASN A 22 -7.806 14.981 -1.437 1.00 13.30 C ATOM 330 CG ASN A 22 -6.534 15.384 -2.201 1.00 72.14 C ATOM 331 OD1 ASN A 22 -6.339 15.015 -3.360 1.00 10.14 O ATOM 332 ND2 ASN A 22 -5.667 16.160 -1.559 1.00 63.31 N ATOM 0 H ASN A 22 -9.403 12.370 -0.657 1.00 13.51 H new ATOM 0 HA ASN A 22 -7.304 12.880 -1.331 1.00 33.40 H new ATOM 0 HB2 ASN A 22 -8.631 14.913 -2.146 1.00 13.30 H new ATOM 0 HB3 ASN A 22 -8.055 15.775 -0.733 1.00 13.30 H new ATOM 0 HD21 ASN A 22 -4.813 16.466 -2.026 1.00 63.31 H new ATOM 0 HD22 ASN A 22 -5.855 16.450 -0.599 1.00 63.31 H new ATOM 339 N GLN A 23 -6.963 12.790 1.519 1.00 60.34 N ATOM 340 CA GLN A 23 -6.177 12.721 2.762 1.00 41.53 C ATOM 341 C GLN A 23 -5.031 11.722 2.573 1.00 41.04 C ATOM 342 O GLN A 23 -5.199 10.534 2.838 1.00 53.42 O ATOM 343 CB GLN A 23 -7.078 12.322 3.959 1.00 15.13 C ATOM 344 CG GLN A 23 -8.188 13.337 4.277 1.00 2.42 C ATOM 345 CD GLN A 23 -8.995 12.973 5.523 1.00 11.10 C ATOM 346 OE1 GLN A 23 -10.017 12.152 5.354 1.00 1.31 O flip ATOM 347 NE2 GLN A 23 -8.670 13.389 6.636 1.00 52.24 N flip ATOM 0 H GLN A 23 -7.710 12.097 1.468 1.00 60.34 H new ATOM 0 HA GLN A 23 -5.759 13.703 2.985 1.00 41.53 H new ATOM 0 HB2 GLN A 23 -7.535 11.355 3.749 1.00 15.13 H new ATOM 0 HB3 GLN A 23 -6.453 12.195 4.843 1.00 15.13 H new ATOM 0 HG2 GLN A 23 -7.742 14.322 4.415 1.00 2.42 H new ATOM 0 HG3 GLN A 23 -8.862 13.409 3.423 1.00 2.42 H new ATOM 0 HE21 GLN A 23 -7.876 14.022 6.732 1.00 52.24 H new ATOM 0 HE22 GLN A 23 -9.195 13.101 7.462 1.00 52.24 H new ATOM 356 N GLY A 24 -3.887 12.235 2.082 1.00 51.14 N ATOM 357 CA GLY A 24 -2.728 11.429 1.686 1.00 15.11 C ATOM 358 C GLY A 24 -2.148 10.493 2.752 1.00 34.45 C ATOM 359 O GLY A 24 -1.488 9.508 2.406 1.00 13.22 O ATOM 0 H GLY A 24 -3.745 13.236 1.949 1.00 51.14 H new ATOM 0 HA2 GLY A 24 -3.010 10.828 0.822 1.00 15.11 H new ATOM 0 HA3 GLY A 24 -1.938 12.105 1.360 1.00 15.11 H new ATOM 363 N GLU A 25 -2.365 10.803 4.050 1.00 23.44 N ATOM 364 CA GLU A 25 -2.007 9.878 5.148 1.00 40.12 C ATOM 365 C GLU A 25 -2.877 8.611 5.062 1.00 24.23 C ATOM 366 O GLU A 25 -2.355 7.506 4.989 1.00 71.53 O ATOM 367 CB GLU A 25 -2.164 10.558 6.536 1.00 72.23 C ATOM 368 CG GLU A 25 -1.886 9.626 7.733 1.00 52.34 C ATOM 369 CD GLU A 25 -1.895 10.350 9.088 1.00 11.10 C ATOM 370 OE1 GLU A 25 -0.988 11.169 9.333 1.00 44.21 O ATOM 371 OE2 GLU A 25 -2.799 10.106 9.905 1.00 33.23 O ATOM 0 H GLU A 25 -2.783 11.680 4.361 1.00 23.44 H new ATOM 0 HA GLU A 25 -0.959 9.601 5.038 1.00 40.12 H new ATOM 0 HB2 GLU A 25 -1.487 11.410 6.589 1.00 72.23 H new ATOM 0 HB3 GLU A 25 -3.177 10.950 6.623 1.00 72.23 H new ATOM 0 HG2 GLU A 25 -2.635 8.834 7.748 1.00 52.34 H new ATOM 0 HG3 GLU A 25 -0.917 9.146 7.593 1.00 52.34 H new ATOM 378 N LEU A 26 -4.205 8.817 5.007 1.00 34.22 N ATOM 379 CA LEU A 26 -5.202 7.735 4.874 1.00 23.21 C ATOM 380 C LEU A 26 -5.002 6.937 3.568 1.00 45.14 C ATOM 381 O LEU A 26 -5.100 5.708 3.568 1.00 40.41 O ATOM 382 CB LEU A 26 -6.647 8.326 4.921 1.00 20.14 C ATOM 383 CG LEU A 26 -7.292 8.497 6.320 1.00 73.34 C ATOM 384 CD1 LEU A 26 -8.672 9.178 6.205 1.00 50.34 C ATOM 385 CD2 LEU A 26 -7.416 7.134 7.024 1.00 62.34 C ATOM 0 H LEU A 26 -4.622 9.747 5.054 1.00 34.22 H new ATOM 0 HA LEU A 26 -5.063 7.051 5.711 1.00 23.21 H new ATOM 0 HB2 LEU A 26 -6.630 9.301 4.434 1.00 20.14 H new ATOM 0 HB3 LEU A 26 -7.295 7.683 4.325 1.00 20.14 H new ATOM 0 HG LEU A 26 -6.646 9.138 6.921 1.00 73.34 H new ATOM 0 HD11 LEU A 26 -9.107 9.288 7.198 1.00 50.34 H new ATOM 0 HD12 LEU A 26 -8.556 10.161 5.749 1.00 50.34 H new ATOM 0 HD13 LEU A 26 -9.329 8.566 5.587 1.00 50.34 H new ATOM 0 HD21 LEU A 26 -7.871 7.271 8.005 1.00 62.34 H new ATOM 0 HD22 LEU A 26 -8.039 6.470 6.425 1.00 62.34 H new ATOM 0 HD23 LEU A 26 -6.426 6.694 7.141 1.00 62.34 H new ATOM 397 N MET A 27 -4.711 7.667 2.480 1.00 21.01 N ATOM 398 CA MET A 27 -4.575 7.099 1.129 1.00 0.02 C ATOM 399 C MET A 27 -3.345 6.186 1.046 1.00 31.14 C ATOM 400 O MET A 27 -3.452 5.028 0.613 1.00 44.15 O ATOM 401 CB MET A 27 -4.485 8.245 0.090 1.00 23.14 C ATOM 402 CG MET A 27 -5.745 9.104 -0.018 1.00 41.35 C ATOM 403 SD MET A 27 -5.483 10.631 -0.946 1.00 74.03 S ATOM 404 CE MET A 27 -4.952 10.017 -2.541 1.00 73.21 C ATOM 0 H MET A 27 -4.562 8.676 2.513 1.00 21.01 H new ATOM 0 HA MET A 27 -5.453 6.492 0.908 1.00 0.02 H new ATOM 0 HB2 MET A 27 -3.644 8.888 0.349 1.00 23.14 H new ATOM 0 HB3 MET A 27 -4.269 7.815 -0.888 1.00 23.14 H new ATOM 0 HG2 MET A 27 -6.533 8.524 -0.499 1.00 41.35 H new ATOM 0 HG3 MET A 27 -6.097 9.350 0.984 1.00 41.35 H new ATOM 0 HE1 MET A 27 -5.097 10.790 -3.295 1.00 73.21 H new ATOM 0 HE2 MET A 27 -3.897 9.749 -2.495 1.00 73.21 H new ATOM 0 HE3 MET A 27 -5.539 9.137 -2.806 1.00 73.21 H new ATOM 414 N GLY A 28 -2.198 6.720 1.503 1.00 74.33 N ATOM 415 CA GLY A 28 -0.942 5.982 1.526 1.00 52.35 C ATOM 416 C GLY A 28 -1.006 4.754 2.423 1.00 30.34 C ATOM 417 O GLY A 28 -0.588 3.673 2.013 1.00 22.10 O ATOM 0 H GLY A 28 -2.125 7.672 1.863 1.00 74.33 H new ATOM 0 HA2 GLY A 28 -0.686 5.675 0.512 1.00 52.35 H new ATOM 0 HA3 GLY A 28 -0.144 6.639 1.871 1.00 52.35 H new ATOM 421 N ARG A 29 -1.574 4.929 3.645 1.00 12.55 N ATOM 422 CA ARG A 29 -1.727 3.838 4.636 1.00 40.25 C ATOM 423 C ARG A 29 -2.614 2.709 4.093 1.00 54.32 C ATOM 424 O ARG A 29 -2.326 1.540 4.326 1.00 24.52 O ATOM 425 CB ARG A 29 -2.339 4.353 5.977 1.00 40.10 C ATOM 426 CG ARG A 29 -1.388 5.193 6.861 1.00 31.43 C ATOM 427 CD ARG A 29 -2.075 5.672 8.160 1.00 20.40 C ATOM 428 NE ARG A 29 -1.176 6.449 9.038 1.00 10.23 N ATOM 429 CZ ARG A 29 -0.878 6.147 10.316 1.00 21.11 C ATOM 430 NH1 ARG A 29 -1.395 5.062 10.902 1.00 33.31 N ATOM 431 NH2 ARG A 29 -0.097 6.965 11.015 1.00 24.41 N ATOM 0 H ARG A 29 -1.936 5.827 3.967 1.00 12.55 H new ATOM 0 HA ARG A 29 -0.724 3.455 4.825 1.00 40.25 H new ATOM 0 HB2 ARG A 29 -3.220 4.953 5.748 1.00 40.10 H new ATOM 0 HB3 ARG A 29 -2.680 3.494 6.555 1.00 40.10 H new ATOM 0 HG2 ARG A 29 -0.509 4.599 7.114 1.00 31.43 H new ATOM 0 HG3 ARG A 29 -1.038 6.057 6.297 1.00 31.43 H new ATOM 0 HD2 ARG A 29 -2.940 6.284 7.902 1.00 20.40 H new ATOM 0 HD3 ARG A 29 -2.449 4.806 8.707 1.00 20.40 H new ATOM 0 HE ARG A 29 -0.745 7.285 8.643 1.00 10.23 H new ATOM 0 HH11 ARG A 29 -2.024 4.451 10.380 1.00 33.31 H new ATOM 0 HH12 ARG A 29 -1.161 4.845 11.871 1.00 33.31 H new ATOM 0 HH21 ARG A 29 0.271 7.812 10.583 1.00 24.41 H new ATOM 0 HH22 ARG A 29 0.135 6.745 11.984 1.00 24.41 H new ATOM 445 N ALA A 30 -3.691 3.085 3.378 1.00 42.24 N ATOM 446 CA ALA A 30 -4.665 2.123 2.838 1.00 61.45 C ATOM 447 C ALA A 30 -3.997 1.200 1.814 1.00 2.23 C ATOM 448 O ALA A 30 -4.035 -0.014 1.964 1.00 74.12 O ATOM 449 CB ALA A 30 -5.865 2.854 2.224 1.00 12.40 C ATOM 0 H ALA A 30 -3.908 4.058 3.161 1.00 42.24 H new ATOM 0 HA ALA A 30 -5.033 1.506 3.658 1.00 61.45 H new ATOM 0 HB1 ALA A 30 -6.573 2.125 1.831 1.00 12.40 H new ATOM 0 HB2 ALA A 30 -6.353 3.458 2.989 1.00 12.40 H new ATOM 0 HB3 ALA A 30 -5.523 3.500 1.415 1.00 12.40 H new ATOM 455 N LEU A 31 -3.324 1.813 0.824 1.00 35.20 N ATOM 456 CA LEU A 31 -2.595 1.096 -0.243 1.00 0.30 C ATOM 457 C LEU A 31 -1.454 0.239 0.333 1.00 61.54 C ATOM 458 O LEU A 31 -1.201 -0.875 -0.137 1.00 41.44 O ATOM 459 CB LEU A 31 -2.028 2.128 -1.246 1.00 64.25 C ATOM 460 CG LEU A 31 -3.094 2.988 -1.984 1.00 11.13 C ATOM 461 CD1 LEU A 31 -2.462 4.249 -2.605 1.00 73.32 C ATOM 462 CD2 LEU A 31 -3.849 2.148 -3.040 1.00 0.21 C ATOM 0 H LEU A 31 -3.269 2.828 0.739 1.00 35.20 H new ATOM 0 HA LEU A 31 -3.289 0.424 -0.748 1.00 0.30 H new ATOM 0 HB2 LEU A 31 -1.351 2.796 -0.713 1.00 64.25 H new ATOM 0 HB3 LEU A 31 -1.433 1.599 -1.990 1.00 64.25 H new ATOM 0 HG LEU A 31 -3.825 3.322 -1.248 1.00 11.13 H new ATOM 0 HD11 LEU A 31 -3.232 4.829 -3.114 1.00 73.32 H new ATOM 0 HD12 LEU A 31 -2.011 4.855 -1.819 1.00 73.32 H new ATOM 0 HD13 LEU A 31 -1.695 3.956 -3.322 1.00 73.32 H new ATOM 0 HD21 LEU A 31 -4.588 2.773 -3.541 1.00 0.21 H new ATOM 0 HD22 LEU A 31 -3.140 1.764 -3.774 1.00 0.21 H new ATOM 0 HD23 LEU A 31 -4.351 1.314 -2.550 1.00 0.21 H new ATOM 474 N TYR A 32 -0.788 0.780 1.366 1.00 73.45 N ATOM 475 CA TYR A 32 0.318 0.107 2.064 1.00 73.42 C ATOM 476 C TYR A 32 -0.182 -1.162 2.783 1.00 32.44 C ATOM 477 O TYR A 32 0.440 -2.221 2.685 1.00 62.33 O ATOM 478 CB TYR A 32 0.978 1.083 3.075 1.00 35.30 C ATOM 479 CG TYR A 32 2.182 0.501 3.820 1.00 43.21 C ATOM 480 CD1 TYR A 32 3.236 -0.084 3.120 1.00 34.34 C ATOM 481 CD2 TYR A 32 2.266 0.527 5.216 1.00 35.31 C ATOM 482 CE1 TYR A 32 4.318 -0.623 3.776 1.00 54.34 C ATOM 483 CE2 TYR A 32 3.354 -0.012 5.874 1.00 30.44 C ATOM 484 CZ TYR A 32 4.377 -0.584 5.149 1.00 23.11 C ATOM 485 OH TYR A 32 5.463 -1.129 5.798 1.00 13.34 O ATOM 0 H TYR A 32 -1.004 1.703 1.742 1.00 73.45 H new ATOM 0 HA TYR A 32 1.063 -0.194 1.328 1.00 73.42 H new ATOM 0 HB2 TYR A 32 1.294 1.980 2.542 1.00 35.30 H new ATOM 0 HB3 TYR A 32 0.230 1.393 3.804 1.00 35.30 H new ATOM 0 HD1 TYR A 32 3.202 -0.115 2.041 1.00 34.34 H new ATOM 0 HD2 TYR A 32 1.467 0.976 5.788 1.00 35.31 H new ATOM 0 HE1 TYR A 32 5.120 -1.076 3.213 1.00 54.34 H new ATOM 0 HE2 TYR A 32 3.403 0.015 6.953 1.00 30.44 H new ATOM 0 HH TYR A 32 5.884 -1.802 5.223 1.00 13.34 H new ATOM 495 N ASN A 33 -1.336 -1.026 3.458 1.00 32.55 N ATOM 496 CA ASN A 33 -1.966 -2.097 4.258 1.00 75.04 C ATOM 497 C ASN A 33 -2.445 -3.237 3.340 1.00 65.05 C ATOM 498 O ASN A 33 -2.239 -4.414 3.645 1.00 41.11 O ATOM 499 CB ASN A 33 -3.146 -1.497 5.075 1.00 2.33 C ATOM 500 CG ASN A 33 -3.769 -2.463 6.083 1.00 51.52 C ATOM 501 OD1 ASN A 33 -3.110 -3.363 6.598 1.00 4.31 O ATOM 502 ND2 ASN A 33 -5.032 -2.255 6.397 1.00 22.33 N ATOM 0 H ASN A 33 -1.868 -0.156 3.465 1.00 32.55 H new ATOM 0 HA ASN A 33 -1.237 -2.516 4.952 1.00 75.04 H new ATOM 0 HB2 ASN A 33 -2.792 -0.614 5.607 1.00 2.33 H new ATOM 0 HB3 ASN A 33 -3.919 -1.164 4.383 1.00 2.33 H new ATOM 0 HD21 ASN A 33 -5.491 -2.850 7.087 1.00 22.33 H new ATOM 0 HD22 ASN A 33 -5.551 -1.499 5.951 1.00 22.33 H new ATOM 509 N ILE A 34 -3.047 -2.845 2.198 1.00 30.33 N ATOM 510 CA ILE A 34 -3.469 -3.763 1.116 1.00 51.51 C ATOM 511 C ILE A 34 -2.264 -4.563 0.600 1.00 55.14 C ATOM 512 O ILE A 34 -2.342 -5.787 0.428 1.00 1.32 O ATOM 513 CB ILE A 34 -4.101 -2.955 -0.084 1.00 54.23 C ATOM 514 CG1 ILE A 34 -5.416 -2.249 0.347 1.00 33.04 C ATOM 515 CG2 ILE A 34 -4.348 -3.853 -1.315 1.00 5.52 C ATOM 516 CD1 ILE A 34 -5.927 -1.212 -0.639 1.00 3.21 C ATOM 0 H ILE A 34 -3.257 -1.867 1.997 1.00 30.33 H new ATOM 0 HA ILE A 34 -4.216 -4.445 1.523 1.00 51.51 H new ATOM 0 HB ILE A 34 -3.377 -2.192 -0.371 1.00 54.23 H new ATOM 0 HG12 ILE A 34 -6.188 -3.004 0.493 1.00 33.04 H new ATOM 0 HG13 ILE A 34 -5.255 -1.767 1.311 1.00 33.04 H new ATOM 0 HG21 ILE A 34 -4.783 -3.258 -2.118 1.00 5.52 H new ATOM 0 HG22 ILE A 34 -3.402 -4.279 -1.651 1.00 5.52 H new ATOM 0 HG23 ILE A 34 -5.033 -4.657 -1.047 1.00 5.52 H new ATOM 0 HD11 ILE A 34 -6.848 -0.770 -0.258 1.00 3.21 H new ATOM 0 HD12 ILE A 34 -5.177 -0.432 -0.768 1.00 3.21 H new ATOM 0 HD13 ILE A 34 -6.124 -1.689 -1.599 1.00 3.21 H new ATOM 528 N GLY A 35 -1.153 -3.835 0.362 1.00 31.05 N ATOM 529 CA GLY A 35 0.085 -4.426 -0.118 1.00 23.44 C ATOM 530 C GLY A 35 0.652 -5.445 0.855 1.00 61.31 C ATOM 531 O GLY A 35 1.123 -6.501 0.443 1.00 23.21 O ATOM 0 H GLY A 35 -1.103 -2.826 0.501 1.00 31.05 H new ATOM 0 HA2 GLY A 35 -0.093 -4.906 -1.080 1.00 23.44 H new ATOM 0 HA3 GLY A 35 0.820 -3.639 -0.286 1.00 23.44 H new ATOM 535 N LEU A 36 0.586 -5.120 2.162 1.00 73.22 N ATOM 536 CA LEU A 36 1.046 -6.013 3.238 1.00 63.35 C ATOM 537 C LEU A 36 0.229 -7.316 3.243 1.00 71.54 C ATOM 538 O LEU A 36 0.802 -8.392 3.361 1.00 14.34 O ATOM 539 CB LEU A 36 0.964 -5.305 4.621 1.00 12.23 C ATOM 540 CG LEU A 36 1.923 -4.087 4.827 1.00 45.01 C ATOM 541 CD1 LEU A 36 1.628 -3.370 6.161 1.00 32.03 C ATOM 542 CD2 LEU A 36 3.403 -4.517 4.744 1.00 34.35 C ATOM 0 H LEU A 36 0.213 -4.232 2.498 1.00 73.22 H new ATOM 0 HA LEU A 36 2.090 -6.263 3.050 1.00 63.35 H new ATOM 0 HB2 LEU A 36 -0.060 -4.965 4.772 1.00 12.23 H new ATOM 0 HB3 LEU A 36 1.173 -6.042 5.397 1.00 12.23 H new ATOM 0 HG LEU A 36 1.739 -3.381 4.018 1.00 45.01 H new ATOM 0 HD11 LEU A 36 2.309 -2.527 6.279 1.00 32.03 H new ATOM 0 HD12 LEU A 36 0.600 -3.009 6.160 1.00 32.03 H new ATOM 0 HD13 LEU A 36 1.767 -4.067 6.987 1.00 32.03 H new ATOM 0 HD21 LEU A 36 4.043 -3.647 4.891 1.00 34.35 H new ATOM 0 HD22 LEU A 36 3.611 -5.256 5.518 1.00 34.35 H new ATOM 0 HD23 LEU A 36 3.601 -4.952 3.764 1.00 34.35 H new ATOM 554 N GLU A 37 -1.102 -7.197 3.050 1.00 72.55 N ATOM 555 CA GLU A 37 -2.018 -8.353 3.001 1.00 71.22 C ATOM 556 C GLU A 37 -1.695 -9.268 1.808 1.00 1.52 C ATOM 557 O GLU A 37 -1.636 -10.492 1.965 1.00 54.41 O ATOM 558 CB GLU A 37 -3.496 -7.896 2.939 1.00 31.40 C ATOM 559 CG GLU A 37 -3.970 -7.053 4.140 1.00 22.33 C ATOM 560 CD GLU A 37 -3.699 -7.715 5.501 1.00 52.23 C ATOM 561 OE1 GLU A 37 -4.364 -8.718 5.826 1.00 32.13 O ATOM 562 OE2 GLU A 37 -2.817 -7.243 6.247 1.00 52.53 O ATOM 0 H GLU A 37 -1.569 -6.299 2.924 1.00 72.55 H new ATOM 0 HA GLU A 37 -1.873 -8.921 3.920 1.00 71.22 H new ATOM 0 HB2 GLU A 37 -3.643 -7.317 2.027 1.00 31.40 H new ATOM 0 HB3 GLU A 37 -4.130 -8.779 2.862 1.00 31.40 H new ATOM 0 HG2 GLU A 37 -3.473 -6.083 4.111 1.00 22.33 H new ATOM 0 HG3 GLU A 37 -5.039 -6.866 4.043 1.00 22.33 H new ATOM 569 N LYS A 38 -1.466 -8.650 0.631 1.00 71.05 N ATOM 570 CA LYS A 38 -1.024 -9.349 -0.594 1.00 24.15 C ATOM 571 C LYS A 38 0.317 -10.096 -0.352 1.00 74.23 C ATOM 572 O LYS A 38 0.485 -11.249 -0.769 1.00 25.35 O ATOM 573 CB LYS A 38 -0.859 -8.325 -1.753 1.00 23.11 C ATOM 574 CG LYS A 38 -2.171 -7.802 -2.379 1.00 52.53 C ATOM 575 CD LYS A 38 -2.940 -8.903 -3.148 1.00 10.20 C ATOM 576 CE LYS A 38 -4.196 -8.369 -3.856 1.00 33.03 C ATOM 577 NZ LYS A 38 -4.927 -9.447 -4.579 1.00 22.34 N ATOM 0 H LYS A 38 -1.583 -7.645 0.503 1.00 71.05 H new ATOM 0 HA LYS A 38 -1.781 -10.085 -0.865 1.00 24.15 H new ATOM 0 HB2 LYS A 38 -0.291 -7.472 -1.381 1.00 23.11 H new ATOM 0 HB3 LYS A 38 -0.262 -8.788 -2.539 1.00 23.11 H new ATOM 0 HG2 LYS A 38 -2.809 -7.399 -1.593 1.00 52.53 H new ATOM 0 HG3 LYS A 38 -1.944 -6.980 -3.058 1.00 52.53 H new ATOM 0 HD2 LYS A 38 -2.277 -9.355 -3.886 1.00 10.20 H new ATOM 0 HD3 LYS A 38 -3.228 -9.692 -2.453 1.00 10.20 H new ATOM 0 HE2 LYS A 38 -4.859 -7.910 -3.122 1.00 33.03 H new ATOM 0 HE3 LYS A 38 -3.911 -7.588 -4.561 1.00 33.03 H new ATOM 0 HZ1 LYS A 38 -5.654 -9.024 -5.191 1.00 22.34 H new ATOM 0 HZ2 LYS A 38 -4.258 -9.990 -5.161 1.00 22.34 H new ATOM 0 HZ3 LYS A 38 -5.381 -10.081 -3.891 1.00 22.34 H new ATOM 591 N ASN A 39 1.226 -9.428 0.371 1.00 24.53 N ATOM 592 CA ASN A 39 2.580 -9.943 0.684 1.00 3.33 C ATOM 593 C ASN A 39 2.512 -11.137 1.674 1.00 35.33 C ATOM 594 O ASN A 39 3.374 -12.010 1.657 1.00 52.54 O ATOM 595 CB ASN A 39 3.449 -8.778 1.253 1.00 5.11 C ATOM 596 CG ASN A 39 4.931 -9.112 1.440 1.00 72.02 C ATOM 597 OD1 ASN A 39 5.506 -9.914 0.704 1.00 11.35 O ATOM 598 ND2 ASN A 39 5.558 -8.483 2.418 1.00 20.34 N ATOM 0 H ASN A 39 1.047 -8.503 0.763 1.00 24.53 H new ATOM 0 HA ASN A 39 3.042 -10.318 -0.229 1.00 3.33 H new ATOM 0 HB2 ASN A 39 3.366 -7.922 0.584 1.00 5.11 H new ATOM 0 HB3 ASN A 39 3.036 -8.472 2.214 1.00 5.11 H new ATOM 0 HD21 ASN A 39 6.550 -8.656 2.582 1.00 20.34 H new ATOM 0 HD22 ASN A 39 5.050 -7.825 3.009 1.00 20.34 H new ATOM 605 N LYS A 40 1.475 -11.153 2.535 1.00 12.14 N ATOM 606 CA LYS A 40 1.228 -12.252 3.504 1.00 63.54 C ATOM 607 C LYS A 40 0.636 -13.500 2.807 1.00 45.30 C ATOM 608 O LYS A 40 0.951 -14.632 3.180 1.00 14.12 O ATOM 609 CB LYS A 40 0.264 -11.760 4.626 1.00 51.21 C ATOM 610 CG LYS A 40 0.856 -10.626 5.489 1.00 60.53 C ATOM 611 CD LYS A 40 -0.182 -9.946 6.418 1.00 61.41 C ATOM 612 CE LYS A 40 0.411 -8.720 7.133 1.00 1.11 C ATOM 613 NZ LYS A 40 -0.571 -8.043 8.023 1.00 40.43 N ATOM 0 H LYS A 40 0.782 -10.406 2.582 1.00 12.14 H new ATOM 0 HA LYS A 40 2.184 -12.537 3.943 1.00 63.54 H new ATOM 0 HB2 LYS A 40 -0.664 -11.414 4.171 1.00 51.21 H new ATOM 0 HB3 LYS A 40 0.009 -12.601 5.270 1.00 51.21 H new ATOM 0 HG2 LYS A 40 1.666 -11.029 6.097 1.00 60.53 H new ATOM 0 HG3 LYS A 40 1.293 -9.873 4.834 1.00 60.53 H new ATOM 0 HD2 LYS A 40 -1.050 -9.641 5.833 1.00 61.41 H new ATOM 0 HD3 LYS A 40 -0.533 -10.665 7.159 1.00 61.41 H new ATOM 0 HE2 LYS A 40 1.275 -9.030 7.721 1.00 1.11 H new ATOM 0 HE3 LYS A 40 0.771 -8.009 6.389 1.00 1.11 H new ATOM 0 HZ1 LYS A 40 -0.125 -7.215 8.466 1.00 40.43 H new ATOM 0 HZ2 LYS A 40 -1.392 -7.736 7.464 1.00 40.43 H new ATOM 0 HZ3 LYS A 40 -0.883 -8.705 8.762 1.00 40.43 H new ATOM 627 N MET A 41 -0.214 -13.268 1.793 1.00 22.14 N ATOM 628 CA MET A 41 -0.981 -14.342 1.103 1.00 34.12 C ATOM 629 C MET A 41 -0.284 -14.824 -0.194 1.00 31.02 C ATOM 630 O MET A 41 -0.895 -15.531 -1.006 1.00 40.42 O ATOM 631 CB MET A 41 -2.410 -13.827 0.800 1.00 54.25 C ATOM 632 CG MET A 41 -2.459 -12.661 -0.192 1.00 1.31 C ATOM 633 SD MET A 41 -4.065 -11.856 -0.262 1.00 30.31 S ATOM 634 CE MET A 41 -5.089 -13.201 -0.811 1.00 4.44 C ATOM 0 H MET A 41 -0.395 -12.335 1.422 1.00 22.14 H new ATOM 0 HA MET A 41 -1.030 -15.206 1.766 1.00 34.12 H new ATOM 0 HB2 MET A 41 -3.005 -14.651 0.405 1.00 54.25 H new ATOM 0 HB3 MET A 41 -2.877 -13.515 1.734 1.00 54.25 H new ATOM 0 HG2 MET A 41 -1.703 -11.926 0.084 1.00 1.31 H new ATOM 0 HG3 MET A 41 -2.200 -13.027 -1.186 1.00 1.31 H new ATOM 0 HE1 MET A 41 -5.515 -12.960 -1.785 1.00 4.44 H new ATOM 0 HE2 MET A 41 -4.488 -14.107 -0.892 1.00 4.44 H new ATOM 0 HE3 MET A 41 -5.893 -13.363 -0.093 1.00 4.44 H new ATOM 644 N GLY A 42 0.986 -14.427 -0.387 1.00 63.31 N ATOM 645 CA GLY A 42 1.801 -14.914 -1.515 1.00 10.15 C ATOM 646 C GLY A 42 1.555 -14.185 -2.835 1.00 4.14 C ATOM 647 O GLY A 42 2.239 -14.464 -3.830 1.00 53.34 O ATOM 0 H GLY A 42 1.471 -13.770 0.224 1.00 63.31 H new ATOM 0 HA2 GLY A 42 2.855 -14.819 -1.253 1.00 10.15 H new ATOM 0 HA3 GLY A 42 1.602 -15.976 -1.658 1.00 10.15 H new ATOM 651 N LYS A 43 0.595 -13.239 -2.845 1.00 14.04 N ATOM 652 CA LYS A 43 0.265 -12.416 -4.029 1.00 20.51 C ATOM 653 C LYS A 43 1.116 -11.135 -4.022 1.00 61.23 C ATOM 654 O LYS A 43 0.615 -10.006 -4.132 1.00 51.21 O ATOM 655 CB LYS A 43 -1.243 -12.102 -4.018 1.00 41.41 C ATOM 656 CG LYS A 43 -2.144 -13.345 -4.167 1.00 23.41 C ATOM 657 CD LYS A 43 -3.635 -12.981 -4.326 1.00 0.15 C ATOM 658 CE LYS A 43 -4.513 -14.213 -4.599 1.00 0.42 C ATOM 659 NZ LYS A 43 -5.929 -13.838 -4.847 1.00 4.22 N ATOM 0 H LYS A 43 0.023 -13.022 -2.029 1.00 14.04 H new ATOM 0 HA LYS A 43 0.494 -12.959 -4.946 1.00 20.51 H new ATOM 0 HB2 LYS A 43 -1.491 -11.596 -3.085 1.00 41.41 H new ATOM 0 HB3 LYS A 43 -1.465 -11.406 -4.827 1.00 41.41 H new ATOM 0 HG2 LYS A 43 -1.820 -13.922 -5.033 1.00 23.41 H new ATOM 0 HG3 LYS A 43 -2.021 -13.985 -3.293 1.00 23.41 H new ATOM 0 HD2 LYS A 43 -3.983 -12.483 -3.421 1.00 0.15 H new ATOM 0 HD3 LYS A 43 -3.747 -12.270 -5.144 1.00 0.15 H new ATOM 0 HE2 LYS A 43 -4.124 -14.753 -5.462 1.00 0.42 H new ATOM 0 HE3 LYS A 43 -4.461 -14.892 -3.748 1.00 0.42 H new ATOM 0 HZ1 LYS A 43 -6.553 -14.601 -4.516 1.00 4.22 H new ATOM 0 HZ2 LYS A 43 -6.151 -12.961 -4.334 1.00 4.22 H new ATOM 0 HZ3 LYS A 43 -6.075 -13.689 -5.866 1.00 4.22 H new ATOM 673 N VAL A 44 2.425 -11.360 -3.961 1.00 64.21 N ATOM 674 CA VAL A 44 3.442 -10.326 -3.721 1.00 43.51 C ATOM 675 C VAL A 44 3.590 -9.374 -4.939 1.00 11.02 C ATOM 676 O VAL A 44 4.111 -8.263 -4.812 1.00 40.21 O ATOM 677 CB VAL A 44 4.824 -10.978 -3.334 1.00 25.45 C ATOM 678 CG1 VAL A 44 5.794 -9.941 -2.742 1.00 51.44 C ATOM 679 CG2 VAL A 44 4.635 -12.152 -2.350 1.00 52.34 C ATOM 0 H VAL A 44 2.825 -12.291 -4.080 1.00 64.21 H new ATOM 0 HA VAL A 44 3.106 -9.721 -2.879 1.00 43.51 H new ATOM 0 HB VAL A 44 5.261 -11.366 -4.254 1.00 25.45 H new ATOM 0 HG11 VAL A 44 6.736 -10.427 -2.487 1.00 51.44 H new ATOM 0 HG12 VAL A 44 5.978 -9.155 -3.475 1.00 51.44 H new ATOM 0 HG13 VAL A 44 5.357 -9.505 -1.844 1.00 51.44 H new ATOM 0 HG21 VAL A 44 5.607 -12.580 -2.103 1.00 52.34 H new ATOM 0 HG22 VAL A 44 4.156 -11.791 -1.440 1.00 52.34 H new ATOM 0 HG23 VAL A 44 4.009 -12.916 -2.811 1.00 52.34 H new ATOM 689 N LYS A 45 3.155 -9.853 -6.114 1.00 63.04 N ATOM 690 CA LYS A 45 3.190 -9.090 -7.383 1.00 44.23 C ATOM 691 C LYS A 45 2.296 -7.838 -7.279 1.00 74.13 C ATOM 692 O LYS A 45 2.707 -6.739 -7.681 1.00 13.31 O ATOM 693 CB LYS A 45 2.757 -9.992 -8.587 1.00 1.45 C ATOM 694 CG LYS A 45 3.807 -11.061 -9.026 1.00 13.22 C ATOM 695 CD LYS A 45 4.140 -12.109 -7.931 1.00 54.25 C ATOM 696 CE LYS A 45 5.284 -13.061 -8.332 1.00 23.45 C ATOM 697 NZ LYS A 45 4.928 -13.929 -9.488 1.00 41.51 N ATOM 0 H LYS A 45 2.764 -10.789 -6.217 1.00 63.04 H new ATOM 0 HA LYS A 45 4.215 -8.765 -7.564 1.00 44.23 H new ATOM 0 HB2 LYS A 45 1.831 -10.502 -8.324 1.00 1.45 H new ATOM 0 HB3 LYS A 45 2.536 -9.351 -9.440 1.00 1.45 H new ATOM 0 HG2 LYS A 45 3.434 -11.580 -9.909 1.00 13.22 H new ATOM 0 HG3 LYS A 45 4.726 -10.553 -9.319 1.00 13.22 H new ATOM 0 HD2 LYS A 45 4.412 -11.591 -7.012 1.00 54.25 H new ATOM 0 HD3 LYS A 45 3.247 -12.695 -7.714 1.00 54.25 H new ATOM 0 HE2 LYS A 45 6.169 -12.475 -8.581 1.00 23.45 H new ATOM 0 HE3 LYS A 45 5.546 -13.687 -7.479 1.00 23.45 H new ATOM 0 HZ1 LYS A 45 5.731 -14.549 -9.717 1.00 41.51 H new ATOM 0 HZ2 LYS A 45 4.100 -14.510 -9.244 1.00 41.51 H new ATOM 0 HZ3 LYS A 45 4.704 -13.335 -10.312 1.00 41.51 H new ATOM 711 N GLU A 46 1.086 -8.008 -6.701 1.00 32.34 N ATOM 712 CA GLU A 46 0.155 -6.893 -6.450 1.00 0.53 C ATOM 713 C GLU A 46 0.617 -6.071 -5.244 1.00 64.31 C ATOM 714 O GLU A 46 0.365 -4.869 -5.193 1.00 45.14 O ATOM 715 CB GLU A 46 -1.306 -7.382 -6.236 1.00 2.42 C ATOM 716 CG GLU A 46 -1.859 -8.317 -7.348 1.00 62.31 C ATOM 717 CD GLU A 46 -1.743 -9.815 -7.014 1.00 1.12 C ATOM 718 OE1 GLU A 46 -0.655 -10.412 -7.214 1.00 65.32 O ATOM 719 OE2 GLU A 46 -2.740 -10.397 -6.524 1.00 14.33 O ATOM 0 H GLU A 46 0.732 -8.916 -6.399 1.00 32.34 H new ATOM 0 HA GLU A 46 0.162 -6.264 -7.340 1.00 0.53 H new ATOM 0 HB2 GLU A 46 -1.361 -7.906 -5.282 1.00 2.42 H new ATOM 0 HB3 GLU A 46 -1.956 -6.511 -6.159 1.00 2.42 H new ATOM 0 HG2 GLU A 46 -2.907 -8.074 -7.526 1.00 62.31 H new ATOM 0 HG3 GLU A 46 -1.323 -8.119 -8.276 1.00 62.31 H new ATOM 726 N ALA A 47 1.298 -6.743 -4.284 1.00 64.54 N ATOM 727 CA ALA A 47 1.889 -6.087 -3.102 1.00 34.24 C ATOM 728 C ALA A 47 2.829 -4.955 -3.527 1.00 1.04 C ATOM 729 O ALA A 47 2.708 -3.842 -3.025 1.00 20.20 O ATOM 730 CB ALA A 47 2.631 -7.100 -2.217 1.00 11.14 C ATOM 0 H ALA A 47 1.450 -7.751 -4.311 1.00 64.54 H new ATOM 0 HA ALA A 47 1.076 -5.661 -2.515 1.00 34.24 H new ATOM 0 HB1 ALA A 47 3.056 -6.587 -1.354 1.00 11.14 H new ATOM 0 HB2 ALA A 47 1.934 -7.866 -1.877 1.00 11.14 H new ATOM 0 HB3 ALA A 47 3.431 -7.567 -2.791 1.00 11.14 H new ATOM 736 N ILE A 48 3.712 -5.264 -4.508 1.00 24.34 N ATOM 737 CA ILE A 48 4.631 -4.293 -5.129 1.00 31.14 C ATOM 738 C ILE A 48 3.855 -3.081 -5.662 1.00 41.52 C ATOM 739 O ILE A 48 4.135 -1.961 -5.258 1.00 10.41 O ATOM 740 CB ILE A 48 5.462 -4.956 -6.297 1.00 71.22 C ATOM 741 CG1 ILE A 48 6.412 -6.058 -5.737 1.00 32.24 C ATOM 742 CG2 ILE A 48 6.258 -3.908 -7.119 1.00 54.23 C ATOM 743 CD1 ILE A 48 7.241 -6.767 -6.791 1.00 40.24 C ATOM 0 H ILE A 48 3.803 -6.205 -4.890 1.00 24.34 H new ATOM 0 HA ILE A 48 5.328 -3.959 -4.360 1.00 31.14 H new ATOM 0 HB ILE A 48 4.749 -5.421 -6.978 1.00 71.22 H new ATOM 0 HG12 ILE A 48 7.084 -5.605 -5.008 1.00 32.24 H new ATOM 0 HG13 ILE A 48 5.815 -6.798 -5.204 1.00 32.24 H new ATOM 0 HG21 ILE A 48 6.813 -4.412 -7.910 1.00 54.23 H new ATOM 0 HG22 ILE A 48 5.566 -3.191 -7.561 1.00 54.23 H new ATOM 0 HG23 ILE A 48 6.954 -3.384 -6.464 1.00 54.23 H new ATOM 0 HD11 ILE A 48 7.872 -7.517 -6.314 1.00 40.24 H new ATOM 0 HD12 ILE A 48 6.579 -7.253 -7.508 1.00 40.24 H new ATOM 0 HD13 ILE A 48 7.868 -6.042 -7.310 1.00 40.24 H new ATOM 755 N GLU A 49 2.837 -3.350 -6.511 1.00 4.04 N ATOM 756 CA GLU A 49 2.014 -2.309 -7.166 1.00 52.53 C ATOM 757 C GLU A 49 1.393 -1.361 -6.126 1.00 31.04 C ATOM 758 O GLU A 49 1.436 -0.144 -6.283 1.00 53.20 O ATOM 759 CB GLU A 49 0.903 -2.963 -8.029 1.00 41.11 C ATOM 760 CG GLU A 49 1.428 -3.900 -9.134 1.00 2.03 C ATOM 761 CD GLU A 49 0.296 -4.566 -9.931 1.00 21.21 C ATOM 762 OE1 GLU A 49 -0.201 -3.952 -10.901 1.00 3.33 O ATOM 763 OE2 GLU A 49 -0.120 -5.687 -9.580 1.00 72.54 O ATOM 0 H GLU A 49 2.563 -4.300 -6.762 1.00 4.04 H new ATOM 0 HA GLU A 49 2.664 -1.722 -7.815 1.00 52.53 H new ATOM 0 HB2 GLU A 49 0.237 -3.527 -7.376 1.00 41.11 H new ATOM 0 HB3 GLU A 49 0.306 -2.176 -8.490 1.00 41.11 H new ATOM 0 HG2 GLU A 49 2.062 -3.333 -9.815 1.00 2.03 H new ATOM 0 HG3 GLU A 49 2.053 -4.671 -8.684 1.00 2.03 H new ATOM 770 N TYR A 50 0.878 -1.942 -5.039 1.00 43.01 N ATOM 771 CA TYR A 50 0.235 -1.203 -3.948 1.00 13.41 C ATOM 772 C TYR A 50 1.239 -0.452 -3.056 1.00 64.22 C ATOM 773 O TYR A 50 0.880 0.575 -2.486 1.00 25.03 O ATOM 774 CB TYR A 50 -0.664 -2.148 -3.122 1.00 64.24 C ATOM 775 CG TYR A 50 -2.015 -2.440 -3.802 1.00 75.30 C ATOM 776 CD1 TYR A 50 -2.971 -1.429 -3.924 1.00 11.23 C ATOM 777 CD2 TYR A 50 -2.335 -3.699 -4.326 1.00 13.10 C ATOM 778 CE1 TYR A 50 -4.185 -1.660 -4.535 1.00 44.11 C ATOM 779 CE2 TYR A 50 -3.554 -3.935 -4.942 1.00 21.12 C ATOM 780 CZ TYR A 50 -4.475 -2.911 -5.042 1.00 0.23 C ATOM 781 OH TYR A 50 -5.688 -3.130 -5.653 1.00 22.13 O ATOM 0 H TYR A 50 0.896 -2.951 -4.890 1.00 43.01 H new ATOM 0 HA TYR A 50 -0.389 -0.433 -4.402 1.00 13.41 H new ATOM 0 HB2 TYR A 50 -0.137 -3.087 -2.955 1.00 64.24 H new ATOM 0 HB3 TYR A 50 -0.845 -1.705 -2.143 1.00 64.24 H new ATOM 0 HD1 TYR A 50 -2.755 -0.446 -3.532 1.00 11.23 H new ATOM 0 HD2 TYR A 50 -1.617 -4.502 -4.248 1.00 13.10 H new ATOM 0 HE1 TYR A 50 -4.909 -0.863 -4.617 1.00 44.11 H new ATOM 0 HE2 TYR A 50 -3.782 -4.912 -5.341 1.00 21.12 H new ATOM 0 HH TYR A 50 -5.738 -4.060 -5.957 1.00 22.13 H new ATOM 791 N PHE A 51 2.473 -0.975 -2.905 1.00 63.20 N ATOM 792 CA PHE A 51 3.552 -0.268 -2.169 1.00 43.33 C ATOM 793 C PHE A 51 4.105 0.887 -3.021 1.00 11.03 C ATOM 794 O PHE A 51 4.615 1.868 -2.480 1.00 73.21 O ATOM 795 CB PHE A 51 4.732 -1.196 -1.794 1.00 11.33 C ATOM 796 CG PHE A 51 4.437 -2.352 -0.845 1.00 33.50 C ATOM 797 CD1 PHE A 51 3.583 -2.203 0.244 1.00 42.24 C ATOM 798 CD2 PHE A 51 5.055 -3.591 -1.039 1.00 62.43 C ATOM 799 CE1 PHE A 51 3.353 -3.258 1.103 1.00 31.45 C ATOM 800 CE2 PHE A 51 4.819 -4.645 -0.182 1.00 75.41 C ATOM 801 CZ PHE A 51 3.968 -4.481 0.888 1.00 1.12 C ATOM 0 H PHE A 51 2.751 -1.882 -3.280 1.00 63.20 H new ATOM 0 HA PHE A 51 3.101 0.102 -1.249 1.00 43.33 H new ATOM 0 HB2 PHE A 51 5.141 -1.611 -2.715 1.00 11.33 H new ATOM 0 HB3 PHE A 51 5.514 -0.583 -1.346 1.00 11.33 H new ATOM 0 HD1 PHE A 51 3.097 -1.254 0.418 1.00 42.24 H new ATOM 0 HD2 PHE A 51 5.728 -3.725 -1.873 1.00 62.43 H new ATOM 0 HE1 PHE A 51 2.691 -3.130 1.947 1.00 31.45 H new ATOM 0 HE2 PHE A 51 5.301 -5.597 -0.350 1.00 75.41 H new ATOM 0 HZ PHE A 51 3.780 -5.306 1.560 1.00 1.12 H new ATOM 811 N LEU A 52 4.019 0.731 -4.360 1.00 70.11 N ATOM 812 CA LEU A 52 4.441 1.763 -5.330 1.00 71.12 C ATOM 813 C LEU A 52 3.446 2.928 -5.274 1.00 44.41 C ATOM 814 O LEU A 52 3.839 4.093 -5.271 1.00 40.42 O ATOM 815 CB LEU A 52 4.514 1.191 -6.780 1.00 62.22 C ATOM 816 CG LEU A 52 5.596 0.095 -7.061 1.00 4.13 C ATOM 817 CD1 LEU A 52 5.502 -0.415 -8.512 1.00 12.41 C ATOM 818 CD2 LEU A 52 7.018 0.599 -6.744 1.00 55.33 C ATOM 0 H LEU A 52 3.655 -0.115 -4.798 1.00 70.11 H new ATOM 0 HA LEU A 52 5.441 2.106 -5.064 1.00 71.12 H new ATOM 0 HB2 LEU A 52 3.538 0.774 -7.029 1.00 62.22 H new ATOM 0 HB3 LEU A 52 4.689 2.022 -7.463 1.00 62.22 H new ATOM 0 HG LEU A 52 5.391 -0.741 -6.392 1.00 4.13 H new ATOM 0 HD11 LEU A 52 6.265 -1.175 -8.681 1.00 12.41 H new ATOM 0 HD12 LEU A 52 4.516 -0.846 -8.683 1.00 12.41 H new ATOM 0 HD13 LEU A 52 5.659 0.415 -9.200 1.00 12.41 H new ATOM 0 HD21 LEU A 52 7.739 -0.191 -6.952 1.00 55.33 H new ATOM 0 HD22 LEU A 52 7.243 1.468 -7.363 1.00 55.33 H new ATOM 0 HD23 LEU A 52 7.079 0.878 -5.692 1.00 55.33 H new ATOM 830 N ARG A 53 2.148 2.560 -5.204 1.00 42.42 N ATOM 831 CA ARG A 53 1.031 3.498 -5.029 1.00 62.20 C ATOM 832 C ARG A 53 1.116 4.187 -3.656 1.00 31.32 C ATOM 833 O ARG A 53 0.942 5.399 -3.556 1.00 70.51 O ATOM 834 CB ARG A 53 -0.327 2.751 -5.138 1.00 32.31 C ATOM 835 CG ARG A 53 -0.679 2.200 -6.533 1.00 74.52 C ATOM 836 CD ARG A 53 -2.004 1.412 -6.508 1.00 74.34 C ATOM 837 NE ARG A 53 -2.411 0.906 -7.828 1.00 4.50 N ATOM 838 CZ ARG A 53 -3.649 0.465 -8.129 1.00 45.42 C ATOM 839 NH1 ARG A 53 -4.621 0.470 -7.207 1.00 62.51 N ATOM 840 NH2 ARG A 53 -3.914 0.016 -9.348 1.00 21.15 N ATOM 0 H ARG A 53 1.848 1.587 -5.269 1.00 42.42 H new ATOM 0 HA ARG A 53 1.096 4.249 -5.816 1.00 62.20 H new ATOM 0 HB2 ARG A 53 -0.321 1.921 -4.431 1.00 32.31 H new ATOM 0 HB3 ARG A 53 -1.120 3.430 -4.826 1.00 32.31 H new ATOM 0 HG2 ARG A 53 -0.757 3.024 -7.242 1.00 74.52 H new ATOM 0 HG3 ARG A 53 0.125 1.553 -6.884 1.00 74.52 H new ATOM 0 HD2 ARG A 53 -1.905 0.572 -5.820 1.00 74.34 H new ATOM 0 HD3 ARG A 53 -2.792 2.054 -6.115 1.00 74.34 H new ATOM 0 HE ARG A 53 -1.708 0.888 -8.567 1.00 4.50 H new ATOM 0 HH11 ARG A 53 -4.428 0.810 -6.265 1.00 62.51 H new ATOM 0 HH12 ARG A 53 -5.554 0.134 -7.447 1.00 62.51 H new ATOM 0 HH21 ARG A 53 -3.181 0.004 -10.058 1.00 21.15 H new ATOM 0 HH22 ARG A 53 -4.850 -0.318 -9.576 1.00 21.15 H new ATOM 854 N ALA A 54 1.398 3.385 -2.610 1.00 72.35 N ATOM 855 CA ALA A 54 1.466 3.864 -1.217 1.00 45.34 C ATOM 856 C ALA A 54 2.567 4.901 -1.056 1.00 2.23 C ATOM 857 O ALA A 54 2.316 6.005 -0.566 1.00 11.44 O ATOM 858 CB ALA A 54 1.709 2.690 -0.259 1.00 74.12 C ATOM 0 H ALA A 54 1.585 2.387 -2.708 1.00 72.35 H new ATOM 0 HA ALA A 54 0.511 4.330 -0.972 1.00 45.34 H new ATOM 0 HB1 ALA A 54 1.757 3.060 0.765 1.00 74.12 H new ATOM 0 HB2 ALA A 54 0.893 1.973 -0.348 1.00 74.12 H new ATOM 0 HB3 ALA A 54 2.650 2.202 -0.513 1.00 74.12 H new ATOM 864 N LYS A 55 3.766 4.539 -1.539 1.00 0.34 N ATOM 865 CA LYS A 55 4.952 5.390 -1.476 1.00 51.05 C ATOM 866 C LYS A 55 4.750 6.644 -2.329 1.00 31.33 C ATOM 867 O LYS A 55 5.199 7.711 -1.957 1.00 21.24 O ATOM 868 CB LYS A 55 6.209 4.604 -1.939 1.00 13.34 C ATOM 869 CG LYS A 55 7.524 5.385 -1.770 1.00 10.40 C ATOM 870 CD LYS A 55 8.772 4.585 -2.189 1.00 51.32 C ATOM 871 CE LYS A 55 10.055 5.414 -2.017 1.00 12.41 C ATOM 872 NZ LYS A 55 10.043 6.655 -2.845 1.00 23.11 N ATOM 0 H LYS A 55 3.935 3.638 -1.987 1.00 0.34 H new ATOM 0 HA LYS A 55 5.107 5.699 -0.442 1.00 51.05 H new ATOM 0 HB2 LYS A 55 6.274 3.674 -1.374 1.00 13.34 H new ATOM 0 HB3 LYS A 55 6.091 4.332 -2.988 1.00 13.34 H new ATOM 0 HG2 LYS A 55 7.473 6.299 -2.361 1.00 10.40 H new ATOM 0 HG3 LYS A 55 7.628 5.685 -0.727 1.00 10.40 H new ATOM 0 HD2 LYS A 55 8.841 3.677 -1.591 1.00 51.32 H new ATOM 0 HD3 LYS A 55 8.675 4.275 -3.229 1.00 51.32 H new ATOM 0 HE2 LYS A 55 10.174 5.682 -0.967 1.00 12.41 H new ATOM 0 HE3 LYS A 55 10.917 4.806 -2.290 1.00 12.41 H new ATOM 0 HZ1 LYS A 55 10.961 7.137 -2.762 1.00 23.11 H new ATOM 0 HZ2 LYS A 55 9.871 6.407 -3.840 1.00 23.11 H new ATOM 0 HZ3 LYS A 55 9.288 7.288 -2.511 1.00 23.11 H new ATOM 886 N LYS A 56 4.027 6.491 -3.458 1.00 72.32 N ATOM 887 CA LYS A 56 3.685 7.599 -4.381 1.00 10.31 C ATOM 888 C LYS A 56 2.891 8.693 -3.651 1.00 51.03 C ATOM 889 O LYS A 56 3.177 9.887 -3.788 1.00 3.33 O ATOM 890 CB LYS A 56 2.866 7.046 -5.575 1.00 61.20 C ATOM 891 CG LYS A 56 2.511 8.065 -6.682 1.00 70.54 C ATOM 892 CD LYS A 56 1.599 7.430 -7.755 1.00 31.54 C ATOM 893 CE LYS A 56 1.303 8.356 -8.943 1.00 21.04 C ATOM 894 NZ LYS A 56 2.532 8.705 -9.710 1.00 52.04 N ATOM 0 H LYS A 56 3.660 5.588 -3.759 1.00 72.32 H new ATOM 0 HA LYS A 56 4.608 8.044 -4.752 1.00 10.31 H new ATOM 0 HB2 LYS A 56 3.427 6.228 -6.028 1.00 61.20 H new ATOM 0 HB3 LYS A 56 1.939 6.621 -5.189 1.00 61.20 H new ATOM 0 HG2 LYS A 56 2.011 8.927 -6.240 1.00 70.54 H new ATOM 0 HG3 LYS A 56 3.425 8.432 -7.149 1.00 70.54 H new ATOM 0 HD2 LYS A 56 2.069 6.519 -8.125 1.00 31.54 H new ATOM 0 HD3 LYS A 56 0.657 7.137 -7.291 1.00 31.54 H new ATOM 0 HE2 LYS A 56 0.588 7.872 -9.608 1.00 21.04 H new ATOM 0 HE3 LYS A 56 0.833 9.270 -8.580 1.00 21.04 H new ATOM 0 HZ1 LYS A 56 2.270 9.247 -10.558 1.00 52.04 H new ATOM 0 HZ2 LYS A 56 3.162 9.279 -9.114 1.00 52.04 H new ATOM 0 HZ3 LYS A 56 3.023 7.833 -9.994 1.00 52.04 H new ATOM 908 N VAL A 57 1.918 8.254 -2.847 1.00 45.10 N ATOM 909 CA VAL A 57 1.064 9.147 -2.057 1.00 12.33 C ATOM 910 C VAL A 57 1.863 9.765 -0.887 1.00 51.32 C ATOM 911 O VAL A 57 1.682 10.941 -0.569 1.00 13.35 O ATOM 912 CB VAL A 57 -0.208 8.383 -1.536 1.00 41.31 C ATOM 913 CG1 VAL A 57 -1.117 9.309 -0.718 1.00 75.12 C ATOM 914 CG2 VAL A 57 -0.995 7.760 -2.713 1.00 12.13 C ATOM 0 H VAL A 57 1.699 7.265 -2.725 1.00 45.10 H new ATOM 0 HA VAL A 57 0.725 9.959 -2.700 1.00 12.33 H new ATOM 0 HB VAL A 57 0.134 7.580 -0.883 1.00 41.31 H new ATOM 0 HG11 VAL A 57 -1.987 8.752 -0.372 1.00 75.12 H new ATOM 0 HG12 VAL A 57 -0.567 9.693 0.141 1.00 75.12 H new ATOM 0 HG13 VAL A 57 -1.444 10.142 -1.341 1.00 75.12 H new ATOM 0 HG21 VAL A 57 -1.871 7.237 -2.329 1.00 12.13 H new ATOM 0 HG22 VAL A 57 -1.314 8.548 -3.395 1.00 12.13 H new ATOM 0 HG23 VAL A 57 -0.356 7.056 -3.246 1.00 12.13 H new ATOM 924 N PHE A 58 2.775 8.970 -0.282 1.00 24.01 N ATOM 925 CA PHE A 58 3.674 9.443 0.802 1.00 13.13 C ATOM 926 C PHE A 58 4.702 10.469 0.278 1.00 14.42 C ATOM 927 O PHE A 58 5.089 11.384 1.000 1.00 21.14 O ATOM 928 CB PHE A 58 4.407 8.256 1.484 1.00 21.22 C ATOM 929 CG PHE A 58 3.516 7.325 2.323 1.00 63.20 C ATOM 930 CD1 PHE A 58 2.611 7.841 3.254 1.00 72.44 C ATOM 931 CD2 PHE A 58 3.610 5.932 2.211 1.00 14.42 C ATOM 932 CE1 PHE A 58 1.830 6.999 4.030 1.00 62.34 C ATOM 933 CE2 PHE A 58 2.833 5.095 2.991 1.00 3.33 C ATOM 934 CZ PHE A 58 1.947 5.628 3.903 1.00 42.22 C ATOM 0 H PHE A 58 2.910 7.989 -0.527 1.00 24.01 H new ATOM 0 HA PHE A 58 3.046 9.936 1.544 1.00 13.13 H new ATOM 0 HB2 PHE A 58 4.898 7.663 0.713 1.00 21.22 H new ATOM 0 HB3 PHE A 58 5.191 8.656 2.126 1.00 21.22 H new ATOM 0 HD1 PHE A 58 2.519 8.911 3.371 1.00 72.44 H new ATOM 0 HD2 PHE A 58 4.303 5.503 1.502 1.00 14.42 H new ATOM 0 HE1 PHE A 58 1.127 7.416 4.736 1.00 62.34 H new ATOM 0 HE2 PHE A 58 2.920 4.024 2.886 1.00 3.33 H new ATOM 0 HZ PHE A 58 1.345 4.975 4.517 1.00 42.22 H new ATOM 944 N ASP A 59 5.121 10.309 -0.990 1.00 40.34 N ATOM 945 CA ASP A 59 6.048 11.251 -1.659 1.00 11.53 C ATOM 946 C ASP A 59 5.301 12.539 -2.050 1.00 71.43 C ATOM 947 O ASP A 59 5.891 13.625 -2.104 1.00 13.41 O ATOM 948 CB ASP A 59 6.715 10.613 -2.919 1.00 44.11 C ATOM 949 CG ASP A 59 7.684 9.437 -2.620 1.00 75.32 C ATOM 950 OD1 ASP A 59 8.402 9.479 -1.603 1.00 12.15 O ATOM 951 OD2 ASP A 59 7.742 8.474 -3.418 1.00 54.14 O ATOM 0 H ASP A 59 4.831 9.529 -1.580 1.00 40.34 H new ATOM 0 HA ASP A 59 6.842 11.492 -0.952 1.00 11.53 H new ATOM 0 HB2 ASP A 59 5.930 10.257 -3.587 1.00 44.11 H new ATOM 0 HB3 ASP A 59 7.262 11.389 -3.455 1.00 44.11 H new ATOM 956 N ALA A 60 3.990 12.401 -2.325 1.00 55.24 N ATOM 957 CA ALA A 60 3.081 13.543 -2.572 1.00 61.32 C ATOM 958 C ALA A 60 2.826 14.319 -1.260 1.00 75.40 C ATOM 959 O ALA A 60 2.599 15.530 -1.285 1.00 55.21 O ATOM 960 CB ALA A 60 1.768 13.053 -3.208 1.00 44.54 C ATOM 0 H ALA A 60 3.528 11.494 -2.383 1.00 55.24 H new ATOM 0 HA ALA A 60 3.553 14.229 -3.275 1.00 61.32 H new ATOM 0 HB1 ALA A 60 1.109 13.903 -3.384 1.00 44.54 H new ATOM 0 HB2 ALA A 60 1.985 12.560 -4.156 1.00 44.54 H new ATOM 0 HB3 ALA A 60 1.279 12.348 -2.536 1.00 44.54 H new ATOM 966 N GLU A 61 2.894 13.606 -0.119 1.00 74.44 N ATOM 967 CA GLU A 61 2.864 14.221 1.230 1.00 20.15 C ATOM 968 C GLU A 61 4.255 14.756 1.627 1.00 63.24 C ATOM 969 O GLU A 61 4.365 15.542 2.567 1.00 71.13 O ATOM 970 CB GLU A 61 2.405 13.171 2.283 1.00 70.05 C ATOM 971 CG GLU A 61 0.965 12.661 2.102 1.00 13.53 C ATOM 972 CD GLU A 61 -0.094 13.761 2.295 1.00 33.13 C ATOM 973 OE1 GLU A 61 -0.503 14.013 3.451 1.00 50.11 O ATOM 974 OE2 GLU A 61 -0.527 14.381 1.295 1.00 34.42 O ATOM 0 H GLU A 61 2.971 12.589 -0.102 1.00 74.44 H new ATOM 0 HA GLU A 61 2.161 15.053 1.203 1.00 20.15 H new ATOM 0 HB2 GLU A 61 3.084 12.319 2.246 1.00 70.05 H new ATOM 0 HB3 GLU A 61 2.498 13.609 3.277 1.00 70.05 H new ATOM 0 HG2 GLU A 61 0.860 12.235 1.104 1.00 13.53 H new ATOM 0 HG3 GLU A 61 0.779 11.857 2.814 1.00 13.53 H new ATOM 981 N HIS A 62 5.295 14.312 0.884 1.00 34.24 N ATOM 982 CA HIS A 62 6.729 14.558 1.187 1.00 23.04 C ATOM 983 C HIS A 62 7.141 13.939 2.541 1.00 64.14 C ATOM 984 O HIS A 62 8.169 14.301 3.109 1.00 63.51 O ATOM 985 CB HIS A 62 7.098 16.073 1.116 1.00 11.43 C ATOM 986 CG HIS A 62 6.946 16.698 -0.246 1.00 24.53 C ATOM 987 ND1 HIS A 62 8.000 17.240 -0.952 1.00 50.13 N ATOM 988 CD2 HIS A 62 5.852 16.887 -1.020 1.00 2.52 C ATOM 989 CE1 HIS A 62 7.556 17.742 -2.084 1.00 53.14 C ATOM 990 NE2 HIS A 62 6.262 17.539 -2.149 1.00 72.14 N ATOM 0 H HIS A 62 5.160 13.760 0.037 1.00 34.24 H new ATOM 0 HA HIS A 62 7.303 14.056 0.408 1.00 23.04 H new ATOM 0 HB2 HIS A 62 6.472 16.618 1.822 1.00 11.43 H new ATOM 0 HB3 HIS A 62 8.130 16.197 1.444 1.00 11.43 H new ATOM 0 HD2 HIS A 62 4.843 16.580 -0.789 1.00 2.52 H new ATOM 0 HE1 HIS A 62 8.156 18.238 -2.833 1.00 53.14 H new ATOM 0 HE2 HIS A 62 5.657 17.823 -2.920 1.00 72.14 H new ATOM 999 N ASP A 63 6.345 12.963 3.013 1.00 50.44 N ATOM 1000 CA ASP A 63 6.601 12.229 4.258 1.00 74.51 C ATOM 1001 C ASP A 63 7.543 11.052 3.952 1.00 34.05 C ATOM 1002 O ASP A 63 7.103 9.998 3.458 1.00 61.42 O ATOM 1003 CB ASP A 63 5.265 11.732 4.872 1.00 15.31 C ATOM 1004 CG ASP A 63 5.445 11.093 6.263 1.00 31.42 C ATOM 1005 OD1 ASP A 63 5.581 11.836 7.253 1.00 0.05 O ATOM 1006 OD2 ASP A 63 5.452 9.853 6.372 1.00 21.43 O ATOM 0 H ASP A 63 5.497 12.661 2.533 1.00 50.44 H new ATOM 0 HA ASP A 63 7.075 12.885 4.988 1.00 74.51 H new ATOM 0 HB2 ASP A 63 4.573 12.570 4.950 1.00 15.31 H new ATOM 0 HB3 ASP A 63 4.810 11.004 4.200 1.00 15.31 H new ATOM 1011 N THR A 64 8.842 11.265 4.213 1.00 74.41 N ATOM 1012 CA THR A 64 9.886 10.282 3.907 1.00 3.54 C ATOM 1013 C THR A 64 9.757 9.023 4.794 1.00 61.10 C ATOM 1014 O THR A 64 10.030 7.932 4.328 1.00 74.42 O ATOM 1015 CB THR A 64 11.321 10.906 4.013 1.00 13.11 C ATOM 1016 OG1 THR A 64 12.313 9.949 3.597 1.00 75.31 O ATOM 1017 CG2 THR A 64 11.640 11.390 5.436 1.00 72.31 C ATOM 0 H THR A 64 9.195 12.121 4.641 1.00 74.41 H new ATOM 0 HA THR A 64 9.741 9.973 2.872 1.00 3.54 H new ATOM 0 HB THR A 64 11.342 11.773 3.353 1.00 13.11 H new ATOM 0 HG1 THR A 64 13.204 10.351 3.666 1.00 75.31 H new ATOM 0 HG21 THR A 64 12.644 11.814 5.460 1.00 72.31 H new ATOM 0 HG22 THR A 64 10.918 12.151 5.732 1.00 72.31 H new ATOM 0 HG23 THR A 64 11.585 10.549 6.127 1.00 72.31 H new ATOM 1025 N ASP A 65 9.265 9.200 6.043 1.00 1.52 N ATOM 1026 CA ASP A 65 9.101 8.115 7.040 1.00 53.43 C ATOM 1027 C ASP A 65 8.192 6.996 6.504 1.00 3.42 C ATOM 1028 O ASP A 65 8.585 5.826 6.470 1.00 52.01 O ATOM 1029 CB ASP A 65 8.530 8.704 8.366 1.00 62.40 C ATOM 1030 CG ASP A 65 8.232 7.638 9.439 1.00 22.21 C ATOM 1031 OD1 ASP A 65 9.155 7.259 10.186 1.00 31.25 O ATOM 1032 OD2 ASP A 65 7.077 7.169 9.535 1.00 54.21 O ATOM 0 H ASP A 65 8.967 10.111 6.391 1.00 1.52 H new ATOM 0 HA ASP A 65 10.078 7.674 7.237 1.00 53.43 H new ATOM 0 HB2 ASP A 65 9.242 9.424 8.770 1.00 62.40 H new ATOM 0 HB3 ASP A 65 7.613 9.251 8.145 1.00 62.40 H new ATOM 1037 N GLY A 66 6.994 7.390 6.051 1.00 72.11 N ATOM 1038 CA GLY A 66 6.003 6.454 5.523 1.00 10.33 C ATOM 1039 C GLY A 66 6.446 5.842 4.210 1.00 75.44 C ATOM 1040 O GLY A 66 6.212 4.652 3.959 1.00 14.13 O ATOM 0 H GLY A 66 6.689 8.363 6.042 1.00 72.11 H new ATOM 0 HA2 GLY A 66 5.827 5.662 6.251 1.00 10.33 H new ATOM 0 HA3 GLY A 66 5.055 6.972 5.380 1.00 10.33 H new ATOM 1044 N ALA A 67 7.111 6.655 3.375 1.00 31.44 N ATOM 1045 CA ALA A 67 7.680 6.200 2.097 1.00 5.02 C ATOM 1046 C ALA A 67 8.817 5.171 2.306 1.00 51.02 C ATOM 1047 O ALA A 67 9.002 4.278 1.474 1.00 72.33 O ATOM 1048 CB ALA A 67 8.164 7.406 1.293 1.00 22.34 C ATOM 0 H ALA A 67 7.269 7.644 3.566 1.00 31.44 H new ATOM 0 HA ALA A 67 6.898 5.690 1.535 1.00 5.02 H new ATOM 0 HB1 ALA A 67 8.585 7.067 0.347 1.00 22.34 H new ATOM 0 HB2 ALA A 67 7.325 8.074 1.098 1.00 22.34 H new ATOM 0 HB3 ALA A 67 8.928 7.939 1.860 1.00 22.34 H new ATOM 1054 N ARG A 68 9.549 5.305 3.432 1.00 1.12 N ATOM 1055 CA ARG A 68 10.611 4.349 3.834 1.00 4.13 C ATOM 1056 C ARG A 68 9.998 3.009 4.266 1.00 11.33 C ATOM 1057 O ARG A 68 10.631 1.972 4.116 1.00 62.43 O ATOM 1058 CB ARG A 68 11.489 4.916 4.996 1.00 11.00 C ATOM 1059 CG ARG A 68 12.426 6.087 4.613 1.00 40.23 C ATOM 1060 CD ARG A 68 13.093 6.741 5.840 1.00 62.05 C ATOM 1061 NE ARG A 68 13.884 7.931 5.481 1.00 34.00 N ATOM 1062 CZ ARG A 68 14.192 8.948 6.318 1.00 3.40 C ATOM 1063 NH1 ARG A 68 13.772 8.957 7.587 1.00 13.54 N ATOM 1064 NH2 ARG A 68 14.915 9.965 5.863 1.00 1.13 N ATOM 0 H ARG A 68 9.424 6.075 4.089 1.00 1.12 H new ATOM 0 HA ARG A 68 11.249 4.194 2.964 1.00 4.13 H new ATOM 0 HB2 ARG A 68 10.829 5.249 5.797 1.00 11.00 H new ATOM 0 HB3 ARG A 68 12.096 4.105 5.399 1.00 11.00 H new ATOM 0 HG2 ARG A 68 13.198 5.722 3.936 1.00 40.23 H new ATOM 0 HG3 ARG A 68 11.856 6.841 4.070 1.00 40.23 H new ATOM 0 HD2 ARG A 68 12.325 7.022 6.561 1.00 62.05 H new ATOM 0 HD3 ARG A 68 13.739 6.013 6.330 1.00 62.05 H new ATOM 0 HE ARG A 68 14.228 7.993 4.523 1.00 34.00 H new ATOM 0 HH11 ARG A 68 13.207 8.186 7.943 1.00 13.54 H new ATOM 0 HH12 ARG A 68 14.017 9.735 8.200 1.00 13.54 H new ATOM 0 HH21 ARG A 68 15.231 9.973 4.893 1.00 1.13 H new ATOM 0 HH22 ARG A 68 15.154 10.738 6.483 1.00 1.13 H new ATOM 1078 N ARG A 69 8.775 3.058 4.846 1.00 14.13 N ATOM 1079 CA ARG A 69 8.019 1.848 5.244 1.00 51.31 C ATOM 1080 C ARG A 69 7.593 1.065 3.988 1.00 31.32 C ATOM 1081 O ARG A 69 7.773 -0.152 3.914 1.00 61.10 O ATOM 1082 CB ARG A 69 6.752 2.220 6.073 1.00 12.22 C ATOM 1083 CG ARG A 69 7.023 3.024 7.361 1.00 32.11 C ATOM 1084 CD ARG A 69 5.727 3.434 8.086 1.00 23.31 C ATOM 1085 NE ARG A 69 5.977 4.369 9.198 1.00 3.14 N ATOM 1086 CZ ARG A 69 5.474 4.270 10.440 1.00 3.34 C ATOM 1087 NH1 ARG A 69 4.657 3.272 10.777 1.00 54.42 N ATOM 1088 NH2 ARG A 69 5.777 5.193 11.339 1.00 61.32 N ATOM 0 H ARG A 69 8.288 3.931 5.050 1.00 14.13 H new ATOM 0 HA ARG A 69 8.670 1.233 5.865 1.00 51.31 H new ATOM 0 HB2 ARG A 69 6.079 2.797 5.439 1.00 12.22 H new ATOM 0 HB3 ARG A 69 6.230 1.301 6.340 1.00 12.22 H new ATOM 0 HG2 ARG A 69 7.639 2.428 8.034 1.00 32.11 H new ATOM 0 HG3 ARG A 69 7.595 3.918 7.113 1.00 32.11 H new ATOM 0 HD2 ARG A 69 5.045 3.897 7.372 1.00 23.31 H new ATOM 0 HD3 ARG A 69 5.231 2.542 8.469 1.00 23.31 H new ATOM 0 HE ARG A 69 6.587 5.164 9.007 1.00 3.14 H new ATOM 0 HH11 ARG A 69 4.403 2.566 10.087 1.00 54.42 H new ATOM 0 HH12 ARG A 69 4.286 3.215 11.725 1.00 54.42 H new ATOM 0 HH21 ARG A 69 6.387 5.970 11.086 1.00 61.32 H new ATOM 0 HH22 ARG A 69 5.400 5.127 12.285 1.00 61.32 H new ATOM 1102 N ALA A 70 7.040 1.803 3.004 1.00 64.31 N ATOM 1103 CA ALA A 70 6.575 1.236 1.723 1.00 64.21 C ATOM 1104 C ALA A 70 7.749 0.689 0.898 1.00 30.25 C ATOM 1105 O ALA A 70 7.612 -0.331 0.223 1.00 24.33 O ATOM 1106 CB ALA A 70 5.777 2.289 0.942 1.00 41.41 C ATOM 0 H ALA A 70 6.903 2.811 3.076 1.00 64.31 H new ATOM 0 HA ALA A 70 5.915 0.394 1.933 1.00 64.21 H new ATOM 0 HB1 ALA A 70 5.438 1.862 -0.002 1.00 41.41 H new ATOM 0 HB2 ALA A 70 4.914 2.601 1.530 1.00 41.41 H new ATOM 0 HB3 ALA A 70 6.412 3.152 0.742 1.00 41.41 H new ATOM 1112 N ALA A 71 8.908 1.362 1.006 1.00 12.31 N ATOM 1113 CA ALA A 71 10.152 0.951 0.334 1.00 5.02 C ATOM 1114 C ALA A 71 10.785 -0.263 1.031 1.00 23.21 C ATOM 1115 O ALA A 71 11.360 -1.130 0.372 1.00 64.51 O ATOM 1116 CB ALA A 71 11.140 2.115 0.301 1.00 14.23 C ATOM 0 H ALA A 71 9.008 2.210 1.564 1.00 12.31 H new ATOM 0 HA ALA A 71 9.906 0.662 -0.688 1.00 5.02 H new ATOM 0 HB1 ALA A 71 12.057 1.800 -0.198 1.00 14.23 H new ATOM 0 HB2 ALA A 71 10.699 2.951 -0.243 1.00 14.23 H new ATOM 0 HB3 ALA A 71 11.370 2.426 1.320 1.00 14.23 H new ATOM 1122 N LYS A 72 10.664 -0.317 2.368 1.00 50.50 N ATOM 1123 CA LYS A 72 11.157 -1.445 3.184 1.00 33.42 C ATOM 1124 C LYS A 72 10.419 -2.729 2.791 1.00 23.22 C ATOM 1125 O LYS A 72 11.038 -3.762 2.521 1.00 11.43 O ATOM 1126 CB LYS A 72 10.937 -1.144 4.694 1.00 34.03 C ATOM 1127 CG LYS A 72 11.376 -2.273 5.653 1.00 23.42 C ATOM 1128 CD LYS A 72 11.010 -1.992 7.131 1.00 21.22 C ATOM 1129 CE LYS A 72 11.721 -0.758 7.706 1.00 43.24 C ATOM 1130 NZ LYS A 72 11.343 -0.507 9.128 1.00 31.44 N ATOM 0 H LYS A 72 10.221 0.420 2.916 1.00 50.50 H new ATOM 0 HA LYS A 72 12.224 -1.578 3.004 1.00 33.42 H new ATOM 0 HB2 LYS A 72 11.482 -0.236 4.952 1.00 34.03 H new ATOM 0 HB3 LYS A 72 9.879 -0.938 4.858 1.00 34.03 H new ATOM 0 HG2 LYS A 72 10.910 -3.208 5.341 1.00 23.42 H new ATOM 0 HG3 LYS A 72 12.454 -2.411 5.572 1.00 23.42 H new ATOM 0 HD2 LYS A 72 9.932 -1.853 7.211 1.00 21.22 H new ATOM 0 HD3 LYS A 72 11.265 -2.864 7.734 1.00 21.22 H new ATOM 0 HE2 LYS A 72 12.800 -0.896 7.637 1.00 43.24 H new ATOM 0 HE3 LYS A 72 11.472 0.117 7.105 1.00 43.24 H new ATOM 0 HZ1 LYS A 72 11.845 0.334 9.477 1.00 31.44 H new ATOM 0 HZ2 LYS A 72 10.317 -0.350 9.192 1.00 31.44 H new ATOM 0 HZ3 LYS A 72 11.603 -1.331 9.707 1.00 31.44 H new ATOM 1144 N SER A 73 9.091 -2.611 2.722 1.00 73.44 N ATOM 1145 CA SER A 73 8.196 -3.706 2.358 1.00 3.21 C ATOM 1146 C SER A 73 8.340 -4.086 0.873 1.00 62.24 C ATOM 1147 O SER A 73 8.120 -5.240 0.509 1.00 73.03 O ATOM 1148 CB SER A 73 6.759 -3.321 2.719 1.00 42.42 C ATOM 1149 OG SER A 73 6.657 -3.008 4.098 1.00 4.21 O ATOM 0 H SER A 73 8.602 -1.738 2.921 1.00 73.44 H new ATOM 0 HA SER A 73 8.470 -4.596 2.924 1.00 3.21 H new ATOM 0 HB2 SER A 73 6.446 -2.464 2.122 1.00 42.42 H new ATOM 0 HB3 SER A 73 6.085 -4.142 2.476 1.00 42.42 H new ATOM 0 HG SER A 73 6.288 -3.776 4.581 1.00 4.21 H new ATOM 1155 N LEU A 74 8.711 -3.100 0.024 1.00 35.12 N ATOM 1156 CA LEU A 74 9.103 -3.344 -1.380 1.00 61.21 C ATOM 1157 C LEU A 74 10.361 -4.215 -1.453 1.00 1.31 C ATOM 1158 O LEU A 74 10.426 -5.127 -2.261 1.00 5.43 O ATOM 1159 CB LEU A 74 9.341 -2.003 -2.155 1.00 24.12 C ATOM 1160 CG LEU A 74 8.082 -1.395 -2.828 1.00 72.31 C ATOM 1161 CD1 LEU A 74 8.337 0.025 -3.355 1.00 5.43 C ATOM 1162 CD2 LEU A 74 7.566 -2.315 -3.952 1.00 51.22 C ATOM 0 H LEU A 74 8.746 -2.117 0.293 1.00 35.12 H new ATOM 0 HA LEU A 74 8.277 -3.872 -1.856 1.00 61.21 H new ATOM 0 HB2 LEU A 74 9.752 -1.270 -1.461 1.00 24.12 H new ATOM 0 HB3 LEU A 74 10.096 -2.175 -2.922 1.00 24.12 H new ATOM 0 HG LEU A 74 7.311 -1.318 -2.062 1.00 72.31 H new ATOM 0 HD11 LEU A 74 7.428 0.410 -3.818 1.00 5.43 H new ATOM 0 HD12 LEU A 74 8.626 0.674 -2.528 1.00 5.43 H new ATOM 0 HD13 LEU A 74 9.138 0.000 -4.094 1.00 5.43 H new ATOM 0 HD21 LEU A 74 6.683 -1.870 -4.410 1.00 51.22 H new ATOM 0 HD22 LEU A 74 8.343 -2.439 -4.706 1.00 51.22 H new ATOM 0 HD23 LEU A 74 7.307 -3.288 -3.535 1.00 51.22 H new ATOM 1174 N SER A 75 11.340 -3.930 -0.583 1.00 63.44 N ATOM 1175 CA SER A 75 12.614 -4.670 -0.532 1.00 35.53 C ATOM 1176 C SER A 75 12.361 -6.144 -0.142 1.00 54.54 C ATOM 1177 O SER A 75 12.957 -7.065 -0.717 1.00 31.23 O ATOM 1178 CB SER A 75 13.576 -3.978 0.460 1.00 64.41 C ATOM 1179 OG SER A 75 14.856 -4.591 0.465 1.00 73.14 O ATOM 0 H SER A 75 11.274 -3.181 0.106 1.00 63.44 H new ATOM 0 HA SER A 75 13.079 -4.665 -1.518 1.00 35.53 H new ATOM 0 HB2 SER A 75 13.678 -2.926 0.194 1.00 64.41 H new ATOM 0 HB3 SER A 75 13.152 -4.014 1.463 1.00 64.41 H new ATOM 0 HG SER A 75 15.438 -4.127 1.102 1.00 73.14 H new ATOM 1185 N GLU A 76 11.426 -6.330 0.812 1.00 20.34 N ATOM 1186 CA GLU A 76 10.925 -7.650 1.240 1.00 71.41 C ATOM 1187 C GLU A 76 10.143 -8.340 0.098 1.00 12.34 C ATOM 1188 O GLU A 76 10.215 -9.563 -0.070 1.00 62.14 O ATOM 1189 CB GLU A 76 10.018 -7.467 2.489 1.00 72.43 C ATOM 1190 CG GLU A 76 10.726 -6.814 3.701 1.00 42.42 C ATOM 1191 CD GLU A 76 9.770 -6.478 4.865 1.00 73.21 C ATOM 1192 OE1 GLU A 76 9.261 -7.412 5.513 1.00 5.43 O ATOM 1193 OE2 GLU A 76 9.539 -5.279 5.146 1.00 52.32 O ATOM 0 H GLU A 76 10.992 -5.555 1.314 1.00 20.34 H new ATOM 0 HA GLU A 76 11.771 -8.289 1.494 1.00 71.41 H new ATOM 0 HB2 GLU A 76 9.159 -6.856 2.213 1.00 72.43 H new ATOM 0 HB3 GLU A 76 9.633 -8.441 2.790 1.00 72.43 H new ATOM 0 HG2 GLU A 76 11.504 -7.486 4.063 1.00 42.42 H new ATOM 0 HG3 GLU A 76 11.222 -5.900 3.373 1.00 42.42 H new ATOM 1200 N ALA A 77 9.432 -7.522 -0.700 1.00 10.02 N ATOM 1201 CA ALA A 77 8.571 -7.989 -1.791 1.00 30.43 C ATOM 1202 C ALA A 77 9.383 -8.524 -2.984 1.00 3.53 C ATOM 1203 O ALA A 77 9.094 -9.615 -3.484 1.00 34.41 O ATOM 1204 CB ALA A 77 7.628 -6.856 -2.235 1.00 33.23 C ATOM 0 H ALA A 77 9.443 -6.507 -0.600 1.00 10.02 H new ATOM 0 HA ALA A 77 7.979 -8.823 -1.414 1.00 30.43 H new ATOM 0 HB1 ALA A 77 6.991 -7.210 -3.046 1.00 33.23 H new ATOM 0 HB2 ALA A 77 7.007 -6.549 -1.393 1.00 33.23 H new ATOM 0 HB3 ALA A 77 8.217 -6.007 -2.581 1.00 33.23 H new ATOM 1210 N TYR A 78 10.411 -7.761 -3.407 1.00 65.41 N ATOM 1211 CA TYR A 78 11.232 -8.102 -4.585 1.00 44.11 C ATOM 1212 C TYR A 78 11.965 -9.444 -4.390 1.00 42.02 C ATOM 1213 O TYR A 78 12.104 -10.205 -5.340 1.00 10.05 O ATOM 1214 CB TYR A 78 12.238 -6.959 -4.917 1.00 43.30 C ATOM 1215 CG TYR A 78 11.582 -5.663 -5.444 1.00 43.31 C ATOM 1216 CD1 TYR A 78 10.743 -5.684 -6.562 1.00 75.13 C ATOM 1217 CD2 TYR A 78 11.790 -4.429 -4.820 1.00 25.02 C ATOM 1218 CE1 TYR A 78 10.143 -4.528 -7.029 1.00 73.02 C ATOM 1219 CE2 TYR A 78 11.186 -3.276 -5.281 1.00 41.41 C ATOM 1220 CZ TYR A 78 10.364 -3.330 -6.385 1.00 2.52 C ATOM 1221 OH TYR A 78 9.750 -2.178 -6.846 1.00 25.13 O ATOM 0 H TYR A 78 10.694 -6.897 -2.945 1.00 65.41 H new ATOM 0 HA TYR A 78 10.558 -8.214 -5.434 1.00 44.11 H new ATOM 0 HB2 TYR A 78 12.810 -6.723 -4.020 1.00 43.30 H new ATOM 0 HB3 TYR A 78 12.947 -7.321 -5.661 1.00 43.30 H new ATOM 0 HD1 TYR A 78 10.560 -6.619 -7.070 1.00 75.13 H new ATOM 0 HD2 TYR A 78 12.438 -4.377 -3.958 1.00 25.02 H new ATOM 0 HE1 TYR A 78 9.502 -4.565 -7.897 1.00 73.02 H new ATOM 0 HE2 TYR A 78 11.357 -2.336 -4.778 1.00 41.41 H new ATOM 0 HH TYR A 78 10.009 -1.421 -6.281 1.00 25.13 H new ATOM 1231 N GLN A 79 12.367 -9.735 -3.139 1.00 61.20 N ATOM 1232 CA GLN A 79 13.029 -11.009 -2.769 1.00 34.11 C ATOM 1233 C GLN A 79 12.163 -12.240 -3.118 1.00 14.32 C ATOM 1234 O GLN A 79 12.684 -13.282 -3.528 1.00 41.22 O ATOM 1235 CB GLN A 79 13.374 -11.011 -1.248 1.00 41.32 C ATOM 1236 CG GLN A 79 14.513 -10.059 -0.855 1.00 52.01 C ATOM 1237 CD GLN A 79 14.733 -9.972 0.658 1.00 62.24 C ATOM 1238 OE1 GLN A 79 15.464 -10.768 1.241 1.00 51.33 O ATOM 1239 NE2 GLN A 79 14.119 -8.993 1.306 1.00 41.23 N ATOM 0 H GLN A 79 12.244 -9.096 -2.353 1.00 61.20 H new ATOM 0 HA GLN A 79 13.947 -11.081 -3.353 1.00 34.11 H new ATOM 0 HB2 GLN A 79 12.481 -10.741 -0.685 1.00 41.32 H new ATOM 0 HB3 GLN A 79 13.645 -12.024 -0.950 1.00 41.32 H new ATOM 0 HG2 GLN A 79 15.436 -10.391 -1.331 1.00 52.01 H new ATOM 0 HG3 GLN A 79 14.295 -9.063 -1.242 1.00 52.01 H new ATOM 0 HE21 GLN A 79 13.517 -8.345 0.799 1.00 41.23 H new ATOM 0 HE22 GLN A 79 14.249 -8.888 2.312 1.00 41.23 H new ATOM 1248 N LYS A 80 10.846 -12.090 -2.948 1.00 71.21 N ATOM 1249 CA LYS A 80 9.865 -13.163 -3.191 1.00 74.34 C ATOM 1250 C LYS A 80 9.474 -13.245 -4.685 1.00 64.22 C ATOM 1251 O LYS A 80 9.141 -14.309 -5.194 1.00 1.43 O ATOM 1252 CB LYS A 80 8.614 -12.911 -2.301 1.00 2.11 C ATOM 1253 CG LYS A 80 8.962 -12.695 -0.806 1.00 13.43 C ATOM 1254 CD LYS A 80 7.729 -12.371 0.068 1.00 22.33 C ATOM 1255 CE LYS A 80 8.108 -12.080 1.532 1.00 2.41 C ATOM 1256 NZ LYS A 80 6.912 -11.872 2.392 1.00 54.30 N ATOM 0 H LYS A 80 10.423 -11.216 -2.636 1.00 71.21 H new ATOM 0 HA LYS A 80 10.313 -14.121 -2.929 1.00 74.34 H new ATOM 0 HB2 LYS A 80 8.081 -12.036 -2.674 1.00 2.11 H new ATOM 0 HB3 LYS A 80 7.935 -13.759 -2.391 1.00 2.11 H new ATOM 0 HG2 LYS A 80 9.447 -13.592 -0.420 1.00 13.43 H new ATOM 0 HG3 LYS A 80 9.682 -11.881 -0.722 1.00 13.43 H new ATOM 0 HD2 LYS A 80 7.208 -11.508 -0.348 1.00 22.33 H new ATOM 0 HD3 LYS A 80 7.033 -13.209 0.035 1.00 22.33 H new ATOM 0 HE2 LYS A 80 8.696 -12.909 1.925 1.00 2.41 H new ATOM 0 HE3 LYS A 80 8.741 -11.193 1.572 1.00 2.41 H new ATOM 0 HZ1 LYS A 80 7.202 -11.436 3.290 1.00 54.30 H new ATOM 0 HZ2 LYS A 80 6.239 -11.247 1.905 1.00 54.30 H new ATOM 0 HZ3 LYS A 80 6.458 -12.788 2.583 1.00 54.30 H new ATOM 1270 N VAL A 81 9.518 -12.095 -5.374 1.00 35.03 N ATOM 1271 CA VAL A 81 9.036 -11.949 -6.769 1.00 4.11 C ATOM 1272 C VAL A 81 10.124 -12.291 -7.812 1.00 4.24 C ATOM 1273 O VAL A 81 9.799 -12.773 -8.900 1.00 1.14 O ATOM 1274 CB VAL A 81 8.481 -10.489 -6.981 1.00 22.22 C ATOM 1275 CG1 VAL A 81 8.115 -10.188 -8.460 1.00 3.43 C ATOM 1276 CG2 VAL A 81 7.253 -10.265 -6.076 1.00 14.31 C ATOM 0 H VAL A 81 9.890 -11.230 -4.982 1.00 35.03 H new ATOM 0 HA VAL A 81 8.233 -12.669 -6.925 1.00 4.11 H new ATOM 0 HB VAL A 81 9.280 -9.799 -6.710 1.00 22.22 H new ATOM 0 HG11 VAL A 81 7.739 -9.168 -8.541 1.00 3.43 H new ATOM 0 HG12 VAL A 81 9.002 -10.299 -9.084 1.00 3.43 H new ATOM 0 HG13 VAL A 81 7.347 -10.886 -8.794 1.00 3.43 H new ATOM 0 HG21 VAL A 81 6.871 -9.255 -6.224 1.00 14.31 H new ATOM 0 HG22 VAL A 81 6.477 -10.987 -6.330 1.00 14.31 H new ATOM 0 HG23 VAL A 81 7.541 -10.394 -5.033 1.00 14.31 H new ATOM 1286 N GLU A 82 11.403 -12.071 -7.467 1.00 20.11 N ATOM 1287 CA GLU A 82 12.552 -12.343 -8.380 1.00 53.23 C ATOM 1288 C GLU A 82 12.813 -13.875 -8.512 1.00 53.33 C ATOM 1289 O GLU A 82 11.883 -14.669 -8.328 1.00 30.31 O ATOM 1290 CB GLU A 82 13.812 -11.559 -7.893 1.00 52.32 C ATOM 1291 CG GLU A 82 13.669 -10.029 -8.032 1.00 65.11 C ATOM 1292 CD GLU A 82 14.874 -9.241 -7.502 1.00 13.21 C ATOM 1293 OE1 GLU A 82 15.023 -9.133 -6.269 1.00 3.54 O ATOM 1294 OE2 GLU A 82 15.682 -8.729 -8.311 1.00 21.45 O ATOM 0 H GLU A 82 11.680 -11.703 -6.557 1.00 20.11 H new ATOM 0 HA GLU A 82 12.308 -11.987 -9.381 1.00 53.23 H new ATOM 0 HB2 GLU A 82 14.004 -11.806 -6.849 1.00 52.32 H new ATOM 0 HB3 GLU A 82 14.680 -11.889 -8.463 1.00 52.32 H new ATOM 0 HG2 GLU A 82 13.520 -9.782 -9.083 1.00 65.11 H new ATOM 0 HG3 GLU A 82 12.774 -9.708 -7.499 1.00 65.11 H new ATOM 1301 N GLY A 83 14.053 -14.273 -8.889 1.00 12.13 N ATOM 1302 CA GLY A 83 14.407 -15.688 -9.109 1.00 33.12 C ATOM 1303 C GLY A 83 14.469 -16.505 -7.814 1.00 63.52 C ATOM 1304 O GLY A 83 15.557 -16.822 -7.318 1.00 61.34 O ATOM 0 H GLY A 83 14.825 -13.626 -9.047 1.00 12.13 H new ATOM 0 HA2 GLY A 83 13.676 -16.138 -9.780 1.00 33.12 H new ATOM 0 HA3 GLY A 83 15.374 -15.740 -9.610 1.00 33.12 H new ATOM 1308 N SER A 84 13.290 -16.823 -7.270 1.00 23.21 N ATOM 1309 CA SER A 84 13.120 -17.619 -6.048 1.00 1.23 C ATOM 1310 C SER A 84 12.579 -19.012 -6.430 1.00 72.22 C ATOM 1311 O SER A 84 11.574 -19.111 -7.148 1.00 54.54 O ATOM 1312 CB SER A 84 12.148 -16.878 -5.096 1.00 61.52 C ATOM 1313 OG SER A 84 10.957 -16.514 -5.771 1.00 3.21 O ATOM 0 H SER A 84 12.403 -16.526 -7.678 1.00 23.21 H new ATOM 0 HA SER A 84 14.072 -17.749 -5.534 1.00 1.23 H new ATOM 0 HB2 SER A 84 11.908 -17.517 -4.246 1.00 61.52 H new ATOM 0 HB3 SER A 84 12.632 -15.986 -4.698 1.00 61.52 H new ATOM 0 HG SER A 84 10.565 -15.726 -5.341 1.00 3.21 H new ATOM 1319 N GLY A 85 13.263 -20.076 -5.963 1.00 12.52 N ATOM 1320 CA GLY A 85 12.908 -21.457 -6.305 1.00 74.50 C ATOM 1321 C GLY A 85 11.751 -21.987 -5.469 1.00 15.15 C ATOM 1322 O GLY A 85 11.961 -22.752 -4.523 1.00 71.45 O ATOM 0 H GLY A 85 14.070 -19.998 -5.344 1.00 12.52 H new ATOM 0 HA2 GLY A 85 12.643 -21.509 -7.361 1.00 74.50 H new ATOM 0 HA3 GLY A 85 13.778 -22.098 -6.163 1.00 74.50 H new ATOM 1326 N ASP A 86 10.531 -21.541 -5.798 1.00 12.42 N ATOM 1327 CA ASP A 86 9.303 -21.985 -5.125 1.00 33.12 C ATOM 1328 C ASP A 86 8.835 -23.299 -5.754 1.00 34.15 C ATOM 1329 O ASP A 86 8.265 -23.286 -6.857 1.00 52.31 O ATOM 1330 CB ASP A 86 8.193 -20.910 -5.259 1.00 51.21 C ATOM 1331 CG ASP A 86 8.583 -19.549 -4.664 1.00 20.44 C ATOM 1332 OD1 ASP A 86 8.679 -19.450 -3.422 1.00 42.44 O ATOM 1333 OD2 ASP A 86 8.769 -18.576 -5.429 1.00 31.53 O ATOM 0 H ASP A 86 10.368 -20.861 -6.540 1.00 12.42 H new ATOM 0 HA ASP A 86 9.509 -22.136 -4.065 1.00 33.12 H new ATOM 0 HB2 ASP A 86 7.949 -20.780 -6.313 1.00 51.21 H new ATOM 0 HB3 ASP A 86 7.290 -21.268 -4.765 1.00 51.21 H new ATOM 1338 N LYS A 87 9.127 -24.431 -5.083 1.00 42.42 N ATOM 1339 CA LYS A 87 8.680 -25.753 -5.545 1.00 11.43 C ATOM 1340 C LYS A 87 7.151 -25.864 -5.372 1.00 2.31 C ATOM 1341 O LYS A 87 6.646 -26.128 -4.268 1.00 33.15 O ATOM 1342 CB LYS A 87 9.415 -26.915 -4.811 1.00 41.54 C ATOM 1343 CG LYS A 87 9.051 -28.326 -5.334 1.00 34.54 C ATOM 1344 CD LYS A 87 9.405 -28.517 -6.826 1.00 50.15 C ATOM 1345 CE LYS A 87 8.858 -29.838 -7.389 1.00 62.42 C ATOM 1346 NZ LYS A 87 9.360 -31.036 -6.660 1.00 42.41 N ATOM 0 H LYS A 87 9.670 -24.452 -4.220 1.00 42.42 H new ATOM 0 HA LYS A 87 8.933 -25.849 -6.601 1.00 11.43 H new ATOM 0 HB2 LYS A 87 10.491 -26.769 -4.910 1.00 41.54 H new ATOM 0 HB3 LYS A 87 9.183 -26.863 -3.747 1.00 41.54 H new ATOM 0 HG2 LYS A 87 9.575 -29.075 -4.741 1.00 34.54 H new ATOM 0 HG3 LYS A 87 7.984 -28.498 -5.193 1.00 34.54 H new ATOM 0 HD2 LYS A 87 9.002 -27.684 -7.402 1.00 50.15 H new ATOM 0 HD3 LYS A 87 10.488 -28.494 -6.946 1.00 50.15 H new ATOM 0 HE2 LYS A 87 7.769 -29.822 -7.343 1.00 62.42 H new ATOM 0 HE3 LYS A 87 9.132 -29.919 -8.441 1.00 62.42 H new ATOM 0 HZ1 LYS A 87 8.970 -31.896 -7.096 1.00 42.41 H new ATOM 0 HZ2 LYS A 87 10.398 -31.063 -6.710 1.00 42.41 H new ATOM 0 HZ3 LYS A 87 9.062 -30.987 -5.665 1.00 42.41 H new ATOM 1360 N GLY A 88 6.445 -25.585 -6.471 1.00 11.35 N ATOM 1361 CA GLY A 88 4.997 -25.615 -6.519 1.00 33.52 C ATOM 1362 C GLY A 88 4.514 -25.326 -7.920 1.00 45.02 C ATOM 1363 O GLY A 88 5.316 -25.019 -8.814 1.00 75.43 O ATOM 0 H GLY A 88 6.877 -25.330 -7.359 1.00 11.35 H new ATOM 0 HA2 GLY A 88 4.636 -26.591 -6.196 1.00 33.52 H new ATOM 0 HA3 GLY A 88 4.588 -24.879 -5.827 1.00 33.52 H new ATOM 1367 N LYS A 89 3.201 -25.418 -8.115 1.00 72.22 N ATOM 1368 CA LYS A 89 2.577 -25.249 -9.433 1.00 50.15 C ATOM 1369 C LYS A 89 2.136 -23.787 -9.633 1.00 1.22 C ATOM 1370 O LYS A 89 0.963 -23.436 -9.438 1.00 22.33 O ATOM 1371 CB LYS A 89 1.391 -26.236 -9.582 1.00 31.21 C ATOM 1372 CG LYS A 89 1.772 -27.715 -9.318 1.00 52.53 C ATOM 1373 CD LYS A 89 0.540 -28.653 -9.303 1.00 3.33 C ATOM 1374 CE LYS A 89 0.894 -30.104 -8.927 1.00 63.50 C ATOM 1375 NZ LYS A 89 1.812 -30.745 -9.908 1.00 41.12 N ATOM 0 H LYS A 89 2.536 -25.612 -7.366 1.00 72.22 H new ATOM 0 HA LYS A 89 3.304 -25.478 -10.212 1.00 50.15 H new ATOM 0 HB2 LYS A 89 0.600 -25.945 -8.891 1.00 31.21 H new ATOM 0 HB3 LYS A 89 0.983 -26.150 -10.589 1.00 31.21 H new ATOM 0 HG2 LYS A 89 2.469 -28.049 -10.086 1.00 52.53 H new ATOM 0 HG3 LYS A 89 2.291 -27.788 -8.362 1.00 52.53 H new ATOM 0 HD2 LYS A 89 -0.194 -28.269 -8.595 1.00 3.33 H new ATOM 0 HD3 LYS A 89 0.070 -28.642 -10.286 1.00 3.33 H new ATOM 0 HE2 LYS A 89 1.357 -30.116 -7.940 1.00 63.50 H new ATOM 0 HE3 LYS A 89 -0.022 -30.690 -8.856 1.00 63.50 H new ATOM 0 HZ1 LYS A 89 2.017 -31.719 -9.607 1.00 41.12 H new ATOM 0 HZ2 LYS A 89 1.362 -30.760 -10.846 1.00 41.12 H new ATOM 0 HZ3 LYS A 89 2.699 -30.204 -9.958 1.00 41.12 H new ATOM 1389 N ILE A 90 3.122 -22.922 -9.953 1.00 43.20 N ATOM 1390 CA ILE A 90 2.866 -21.529 -10.353 1.00 2.23 C ATOM 1391 C ILE A 90 2.501 -21.529 -11.845 1.00 11.43 C ATOM 1392 O ILE A 90 3.350 -21.842 -12.690 1.00 42.04 O ATOM 1393 CB ILE A 90 4.100 -20.550 -10.120 1.00 54.13 C ATOM 1394 CG1 ILE A 90 4.547 -20.476 -8.614 1.00 1.21 C ATOM 1395 CG2 ILE A 90 3.769 -19.122 -10.654 1.00 43.33 C ATOM 1396 CD1 ILE A 90 5.352 -21.668 -8.104 1.00 71.41 C ATOM 0 H ILE A 90 4.111 -23.171 -9.940 1.00 43.20 H new ATOM 0 HA ILE A 90 2.059 -21.152 -9.725 1.00 2.23 H new ATOM 0 HB ILE A 90 4.939 -20.965 -10.679 1.00 54.13 H new ATOM 0 HG12 ILE A 90 5.141 -19.573 -8.474 1.00 1.21 H new ATOM 0 HG13 ILE A 90 3.656 -20.370 -7.994 1.00 1.21 H new ATOM 0 HG21 ILE A 90 4.622 -18.464 -10.487 1.00 43.33 H new ATOM 0 HG22 ILE A 90 3.553 -19.174 -11.721 1.00 43.33 H new ATOM 0 HG23 ILE A 90 2.900 -18.729 -10.127 1.00 43.33 H new ATOM 0 HD11 ILE A 90 5.607 -21.513 -7.056 1.00 71.41 H new ATOM 0 HD12 ILE A 90 4.758 -22.577 -8.202 1.00 71.41 H new ATOM 0 HD13 ILE A 90 6.266 -21.767 -8.689 1.00 71.41 H new ATOM 1408 N PHE A 91 1.236 -21.223 -12.163 1.00 53.14 N ATOM 1409 CA PHE A 91 0.785 -21.126 -13.558 1.00 52.41 C ATOM 1410 C PHE A 91 1.330 -19.805 -14.144 1.00 70.15 C ATOM 1411 O PHE A 91 0.789 -18.720 -13.884 1.00 21.24 O ATOM 1412 CB PHE A 91 -0.762 -21.210 -13.634 1.00 20.15 C ATOM 1413 CG PHE A 91 -1.312 -21.536 -15.027 1.00 10.14 C ATOM 1414 CD1 PHE A 91 -0.994 -22.749 -15.645 1.00 2.34 C ATOM 1415 CD2 PHE A 91 -2.147 -20.658 -15.715 1.00 33.13 C ATOM 1416 CE1 PHE A 91 -1.494 -23.067 -16.893 1.00 11.12 C ATOM 1417 CE2 PHE A 91 -2.645 -20.977 -16.964 1.00 25.12 C ATOM 1418 CZ PHE A 91 -2.315 -22.179 -17.554 1.00 52.22 C ATOM 0 H PHE A 91 0.507 -21.038 -11.474 1.00 53.14 H new ATOM 0 HA PHE A 91 1.167 -21.959 -14.148 1.00 52.41 H new ATOM 0 HB2 PHE A 91 -1.107 -21.971 -12.934 1.00 20.15 H new ATOM 0 HB3 PHE A 91 -1.182 -20.260 -13.305 1.00 20.15 H new ATOM 0 HD1 PHE A 91 -0.347 -23.449 -15.138 1.00 2.34 H new ATOM 0 HD2 PHE A 91 -2.409 -19.712 -15.265 1.00 33.13 H new ATOM 0 HE1 PHE A 91 -1.241 -24.012 -17.351 1.00 11.12 H new ATOM 0 HE2 PHE A 91 -3.294 -20.284 -17.479 1.00 25.12 H new ATOM 0 HZ PHE A 91 -2.700 -22.424 -18.533 1.00 52.22 H new ATOM 1428 N GLN A 92 2.424 -19.915 -14.914 1.00 52.20 N ATOM 1429 CA GLN A 92 3.240 -18.758 -15.349 1.00 35.44 C ATOM 1430 C GLN A 92 2.683 -18.077 -16.626 1.00 62.12 C ATOM 1431 O GLN A 92 3.429 -17.393 -17.344 1.00 12.42 O ATOM 1432 CB GLN A 92 4.723 -19.208 -15.539 1.00 31.30 C ATOM 1433 CG GLN A 92 4.944 -20.304 -16.605 1.00 60.33 C ATOM 1434 CD GLN A 92 6.421 -20.625 -16.867 1.00 42.11 C ATOM 1435 OE1 GLN A 92 7.272 -20.502 -15.986 1.00 20.15 O ATOM 1436 NE2 GLN A 92 6.741 -21.017 -18.086 1.00 14.22 N ATOM 0 H GLN A 92 2.773 -20.810 -15.257 1.00 52.20 H new ATOM 0 HA GLN A 92 3.192 -18.001 -14.566 1.00 35.44 H new ATOM 0 HB2 GLN A 92 5.319 -18.336 -15.808 1.00 31.30 H new ATOM 0 HB3 GLN A 92 5.102 -19.571 -14.583 1.00 31.30 H new ATOM 0 HG2 GLN A 92 4.435 -21.214 -16.288 1.00 60.33 H new ATOM 0 HG3 GLN A 92 4.479 -19.988 -17.539 1.00 60.33 H new ATOM 0 HE21 GLN A 92 6.017 -21.111 -18.798 1.00 14.22 H new ATOM 0 HE22 GLN A 92 7.713 -21.226 -18.316 1.00 14.22 H new ATOM 1445 N LYS A 93 1.367 -18.237 -16.884 1.00 1.40 N ATOM 1446 CA LYS A 93 0.675 -17.544 -17.986 1.00 31.14 C ATOM 1447 C LYS A 93 0.470 -16.063 -17.592 1.00 2.15 C ATOM 1448 O LYS A 93 -0.597 -15.670 -17.098 1.00 72.43 O ATOM 1449 CB LYS A 93 -0.684 -18.234 -18.293 1.00 21.44 C ATOM 1450 CG LYS A 93 -1.423 -17.712 -19.562 1.00 1.11 C ATOM 1451 CD LYS A 93 -2.939 -18.087 -19.598 1.00 54.23 C ATOM 1452 CE LYS A 93 -3.837 -17.110 -18.806 1.00 14.22 C ATOM 1453 NZ LYS A 93 -3.454 -16.974 -17.371 1.00 0.45 N ATOM 0 H LYS A 93 0.760 -18.847 -16.336 1.00 1.40 H new ATOM 0 HA LYS A 93 1.280 -17.594 -18.892 1.00 31.14 H new ATOM 0 HB2 LYS A 93 -0.512 -19.304 -18.407 1.00 21.44 H new ATOM 0 HB3 LYS A 93 -1.340 -18.107 -17.432 1.00 21.44 H new ATOM 0 HG2 LYS A 93 -1.324 -16.628 -19.610 1.00 1.11 H new ATOM 0 HG3 LYS A 93 -0.935 -18.117 -20.449 1.00 1.11 H new ATOM 0 HD2 LYS A 93 -3.273 -18.115 -20.635 1.00 54.23 H new ATOM 0 HD3 LYS A 93 -3.066 -19.092 -19.195 1.00 54.23 H new ATOM 0 HE2 LYS A 93 -3.796 -16.129 -19.278 1.00 14.22 H new ATOM 0 HE3 LYS A 93 -4.871 -17.450 -18.866 1.00 14.22 H new ATOM 0 HZ1 LYS A 93 -4.182 -16.428 -16.868 1.00 0.45 H new ATOM 0 HZ2 LYS A 93 -3.371 -17.918 -16.943 1.00 0.45 H new ATOM 0 HZ3 LYS A 93 -2.541 -16.480 -17.301 1.00 0.45 H new ATOM 1467 N GLU A 94 1.542 -15.274 -17.762 1.00 13.12 N ATOM 1468 CA GLU A 94 1.567 -13.845 -17.420 1.00 42.53 C ATOM 1469 C GLU A 94 0.797 -13.055 -18.495 1.00 33.13 C ATOM 1470 O GLU A 94 0.898 -13.368 -19.684 1.00 42.54 O ATOM 1471 CB GLU A 94 3.051 -13.368 -17.300 1.00 1.43 C ATOM 1472 CG GLU A 94 3.258 -11.861 -17.012 1.00 71.34 C ATOM 1473 CD GLU A 94 2.585 -11.372 -15.716 1.00 24.42 C ATOM 1474 OE1 GLU A 94 3.024 -11.779 -14.617 1.00 31.01 O ATOM 1475 OE2 GLU A 94 1.611 -10.585 -15.794 1.00 64.12 O ATOM 0 H GLU A 94 2.424 -15.614 -18.145 1.00 13.12 H new ATOM 0 HA GLU A 94 1.081 -13.671 -16.460 1.00 42.53 H new ATOM 0 HB2 GLU A 94 3.532 -13.939 -16.506 1.00 1.43 H new ATOM 0 HB3 GLU A 94 3.567 -13.615 -18.228 1.00 1.43 H new ATOM 0 HG2 GLU A 94 4.327 -11.656 -16.953 1.00 71.34 H new ATOM 0 HG3 GLU A 94 2.869 -11.285 -17.851 1.00 71.34 H new ATOM 1482 N GLY A 95 0.010 -12.054 -18.053 1.00 15.04 N ATOM 1483 CA GLY A 95 -0.760 -11.195 -18.951 1.00 45.14 C ATOM 1484 C GLY A 95 0.162 -10.383 -19.856 1.00 31.32 C ATOM 1485 O GLY A 95 0.820 -9.451 -19.381 1.00 32.33 O ATOM 0 H GLY A 95 -0.104 -11.825 -17.066 1.00 15.04 H new ATOM 0 HA2 GLY A 95 -1.428 -11.805 -19.560 1.00 45.14 H new ATOM 0 HA3 GLY A 95 -1.387 -10.522 -18.367 1.00 45.14 H new ATOM 1489 N GLU A 96 0.255 -10.801 -21.133 1.00 64.52 N ATOM 1490 CA GLU A 96 1.116 -10.182 -22.156 1.00 40.15 C ATOM 1491 C GLU A 96 0.649 -8.737 -22.488 1.00 61.21 C ATOM 1492 O GLU A 96 -0.098 -8.510 -23.446 1.00 55.25 O ATOM 1493 CB GLU A 96 1.183 -11.097 -23.425 1.00 34.15 C ATOM 1494 CG GLU A 96 -0.188 -11.571 -23.976 1.00 4.52 C ATOM 1495 CD GLU A 96 -0.084 -12.237 -25.358 1.00 25.21 C ATOM 1496 OE1 GLU A 96 0.226 -13.442 -25.428 1.00 61.30 O ATOM 1497 OE2 GLU A 96 -0.299 -11.555 -26.386 1.00 64.35 O ATOM 0 H GLU A 96 -0.278 -11.595 -21.488 1.00 64.52 H new ATOM 0 HA GLU A 96 2.128 -10.092 -21.760 1.00 40.15 H new ATOM 0 HB2 GLU A 96 1.706 -10.557 -24.214 1.00 34.15 H new ATOM 0 HB3 GLU A 96 1.784 -11.975 -23.188 1.00 34.15 H new ATOM 0 HG2 GLU A 96 -0.632 -12.275 -23.272 1.00 4.52 H new ATOM 0 HG3 GLU A 96 -0.862 -10.717 -24.041 1.00 4.52 H new ATOM 1504 N SER A 97 1.088 -7.780 -21.634 1.00 61.43 N ATOM 1505 CA SER A 97 0.730 -6.351 -21.717 1.00 31.14 C ATOM 1506 C SER A 97 -0.803 -6.141 -21.595 1.00 41.25 C ATOM 1507 O SER A 97 -1.520 -6.135 -22.607 1.00 63.43 O ATOM 1508 CB SER A 97 1.281 -5.705 -23.019 1.00 52.41 C ATOM 1509 OG SER A 97 2.691 -5.826 -23.111 1.00 22.22 O ATOM 0 H SER A 97 1.713 -7.989 -20.855 1.00 61.43 H new ATOM 0 HA SER A 97 1.200 -5.849 -20.871 1.00 31.14 H new ATOM 0 HB2 SER A 97 0.818 -6.180 -23.884 1.00 52.41 H new ATOM 0 HB3 SER A 97 1.004 -4.651 -23.047 1.00 52.41 H new ATOM 0 HG SER A 97 3.001 -5.410 -23.942 1.00 22.22 H new ATOM 1515 N ILE A 98 -1.307 -6.010 -20.347 1.00 51.23 N ATOM 1516 CA ILE A 98 -2.747 -5.772 -20.090 1.00 74.31 C ATOM 1517 C ILE A 98 -3.075 -4.294 -20.434 1.00 11.15 C ATOM 1518 O ILE A 98 -3.021 -3.402 -19.574 1.00 44.40 O ATOM 1519 CB ILE A 98 -3.208 -6.115 -18.602 1.00 20.43 C ATOM 1520 CG1 ILE A 98 -2.799 -7.569 -18.158 1.00 5.15 C ATOM 1521 CG2 ILE A 98 -4.743 -5.929 -18.445 1.00 11.10 C ATOM 1522 CD1 ILE A 98 -1.369 -7.713 -17.661 1.00 2.24 C ATOM 0 H ILE A 98 -0.739 -6.065 -19.502 1.00 51.23 H new ATOM 0 HA ILE A 98 -3.306 -6.456 -20.728 1.00 74.31 H new ATOM 0 HB ILE A 98 -2.687 -5.415 -17.949 1.00 20.43 H new ATOM 0 HG12 ILE A 98 -3.476 -7.895 -17.369 1.00 5.15 H new ATOM 0 HG13 ILE A 98 -2.944 -8.244 -19.001 1.00 5.15 H new ATOM 0 HG21 ILE A 98 -5.036 -6.168 -17.423 1.00 11.10 H new ATOM 0 HG22 ILE A 98 -5.009 -4.895 -18.666 1.00 11.10 H new ATOM 0 HG23 ILE A 98 -5.263 -6.593 -19.136 1.00 11.10 H new ATOM 0 HD11 ILE A 98 -1.184 -8.750 -17.379 1.00 2.24 H new ATOM 0 HD12 ILE A 98 -0.678 -7.423 -18.453 1.00 2.24 H new ATOM 0 HD13 ILE A 98 -1.218 -7.069 -16.794 1.00 2.24 H new ATOM 1534 N LEU A 99 -3.348 -4.050 -21.726 1.00 25.22 N ATOM 1535 CA LEU A 99 -3.610 -2.702 -22.256 1.00 3.23 C ATOM 1536 C LEU A 99 -5.102 -2.367 -22.115 1.00 53.10 C ATOM 1537 O LEU A 99 -5.918 -2.725 -22.972 1.00 21.24 O ATOM 1538 CB LEU A 99 -3.152 -2.609 -23.741 1.00 43.51 C ATOM 1539 CG LEU A 99 -1.633 -2.858 -24.007 1.00 30.43 C ATOM 1540 CD1 LEU A 99 -1.311 -2.816 -25.518 1.00 14.11 C ATOM 1541 CD2 LEU A 99 -0.760 -1.860 -23.216 1.00 24.44 C ATOM 0 H LEU A 99 -3.393 -4.783 -22.434 1.00 25.22 H new ATOM 0 HA LEU A 99 -3.039 -1.972 -21.682 1.00 3.23 H new ATOM 0 HB2 LEU A 99 -3.725 -3.331 -24.323 1.00 43.51 H new ATOM 0 HB3 LEU A 99 -3.409 -1.619 -24.118 1.00 43.51 H new ATOM 0 HG LEU A 99 -1.394 -3.860 -23.652 1.00 30.43 H new ATOM 0 HD11 LEU A 99 -0.246 -2.993 -25.668 1.00 14.11 H new ATOM 0 HD12 LEU A 99 -1.883 -3.587 -26.034 1.00 14.11 H new ATOM 0 HD13 LEU A 99 -1.576 -1.838 -25.920 1.00 14.11 H new ATOM 0 HD21 LEU A 99 0.293 -2.056 -23.420 1.00 24.44 H new ATOM 0 HD22 LEU A 99 -1.005 -0.842 -23.520 1.00 24.44 H new ATOM 0 HD23 LEU A 99 -0.951 -1.976 -22.149 1.00 24.44 H new ATOM 1553 N GLU A 100 -5.456 -1.729 -20.998 1.00 4.30 N ATOM 1554 CA GLU A 100 -6.842 -1.329 -20.715 1.00 42.32 C ATOM 1555 C GLU A 100 -7.101 0.067 -21.330 1.00 5.25 C ATOM 1556 O GLU A 100 -6.797 1.083 -20.675 1.00 14.44 O ATOM 1557 CB GLU A 100 -7.107 -1.355 -19.180 1.00 73.43 C ATOM 1558 CG GLU A 100 -6.939 -2.744 -18.532 1.00 71.22 C ATOM 1559 CD GLU A 100 -7.373 -2.787 -17.053 1.00 71.02 C ATOM 1560 OE1 GLU A 100 -8.562 -3.069 -16.775 1.00 33.45 O ATOM 1561 OE2 GLU A 100 -6.532 -2.535 -16.160 1.00 40.10 O ATOM 1562 OXT GLU A 100 -7.560 0.139 -22.490 1.00 38.16 O ATOM 0 H GLU A 100 -4.795 -1.474 -20.264 1.00 4.30 H new ATOM 0 HA GLU A 100 -7.538 -2.034 -21.169 1.00 42.32 H new ATOM 0 HB2 GLU A 100 -6.427 -0.655 -18.694 1.00 73.43 H new ATOM 0 HB3 GLU A 100 -8.120 -0.999 -18.992 1.00 73.43 H new ATOM 0 HG2 GLU A 100 -7.522 -3.472 -19.095 1.00 71.22 H new ATOM 0 HG3 GLU A 100 -5.894 -3.047 -18.605 1.00 71.22 H new TER 1569 GLU A 100