USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 528 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 NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 15 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-9.3!) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 28:sc= 0.0243 USER MOD Set 2.2: A 68 HIS :FLIP no HD1:sc= -0.6 F(o=-1.5,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -14:sc= 0.876 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.099) USER MOD Single : A 24 HIS : no HE2:sc= -2.67! C(o=-2.7!,f=-5.1!) USER MOD Single : A 26 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.9!) USER MOD Single : A 27 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 33:sc= 0.444 USER MOD Single : A 45 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.71) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 163:sc= -0.0709 (180deg=-0.682) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 SER OG : rot 169:sc= 0.713 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.868 -23.108 7.198 1.00 0.00 N ATOM 2 CA GLY A 1 8.236 -21.705 7.128 1.00 0.00 C ATOM 3 C GLY A 1 8.065 -20.994 8.455 1.00 0.00 C ATOM 4 O GLY A 1 7.010 -20.424 8.731 1.00 0.00 O ATOM 0 H1 GLY A 1 8.003 -23.549 6.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.467 -23.589 7.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.870 -23.192 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.274 -21.620 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.626 -21.210 6.373 1.00 0.00 H new ATOM 8 N SER A 2 9.105 -21.030 9.282 1.00 0.00 N ATOM 9 CA SER A 2 9.064 -20.388 10.591 1.00 0.00 C ATOM 10 C SER A 2 9.749 -19.026 10.550 1.00 0.00 C ATOM 11 O SER A 2 10.959 -18.921 10.747 1.00 0.00 O ATOM 12 CB SER A 2 9.734 -21.278 11.640 1.00 0.00 C ATOM 13 OG SER A 2 9.061 -22.519 11.762 1.00 0.00 O ATOM 0 H SER A 2 9.986 -21.497 9.069 1.00 0.00 H new ATOM 0 HA SER A 2 8.019 -20.241 10.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.774 -21.451 11.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.740 -20.768 12.603 1.00 0.00 H new ATOM 0 HG SER A 2 9.510 -23.070 12.437 1.00 0.00 H new ATOM 19 N SER A 3 8.965 -17.984 10.293 1.00 0.00 N ATOM 20 CA SER A 3 9.495 -16.627 10.223 1.00 0.00 C ATOM 21 C SER A 3 8.384 -15.599 10.414 1.00 0.00 C ATOM 22 O SER A 3 7.472 -15.494 9.595 1.00 0.00 O ATOM 23 CB SER A 3 10.191 -16.398 8.880 1.00 0.00 C ATOM 24 OG SER A 3 11.284 -17.286 8.714 1.00 0.00 O ATOM 0 H SER A 3 7.961 -18.053 10.130 1.00 0.00 H new ATOM 0 HA SER A 3 10.221 -16.505 11.027 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.477 -16.539 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.543 -15.368 8.820 1.00 0.00 H new ATOM 0 HG SER A 3 11.499 -17.705 9.574 1.00 0.00 H new ATOM 30 N GLY A 4 8.469 -14.841 11.504 1.00 0.00 N ATOM 31 CA GLY A 4 7.466 -13.831 11.785 1.00 0.00 C ATOM 32 C GLY A 4 7.403 -12.762 10.712 1.00 0.00 C ATOM 33 O GLY A 4 7.102 -13.052 9.554 1.00 0.00 O ATOM 0 H GLY A 4 9.215 -14.909 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.490 -14.308 11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.684 -13.365 12.746 1.00 0.00 H new ATOM 37 N SER A 5 7.687 -11.522 11.097 1.00 0.00 N ATOM 38 CA SER A 5 7.656 -10.405 10.160 1.00 0.00 C ATOM 39 C SER A 5 9.001 -9.686 10.127 1.00 0.00 C ATOM 40 O SER A 5 9.910 -10.012 10.890 1.00 0.00 O ATOM 41 CB SER A 5 6.549 -9.421 10.544 1.00 0.00 C ATOM 42 OG SER A 5 5.275 -9.911 10.161 1.00 0.00 O ATOM 0 H SER A 5 7.941 -11.265 12.051 1.00 0.00 H new ATOM 0 HA SER A 5 7.451 -10.802 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.568 -9.250 11.620 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.731 -8.459 10.065 1.00 0.00 H new ATOM 0 HG SER A 5 4.585 -9.265 10.419 1.00 0.00 H new ATOM 48 N SER A 6 9.120 -8.707 9.237 1.00 0.00 N ATOM 49 CA SER A 6 10.355 -7.943 9.100 1.00 0.00 C ATOM 50 C SER A 6 10.065 -6.520 8.632 1.00 0.00 C ATOM 51 O SER A 6 9.384 -6.311 7.629 1.00 0.00 O ATOM 52 CB SER A 6 11.299 -8.634 8.114 1.00 0.00 C ATOM 53 OG SER A 6 12.555 -7.978 8.067 1.00 0.00 O ATOM 0 H SER A 6 8.376 -8.423 8.599 1.00 0.00 H new ATOM 0 HA SER A 6 10.834 -7.894 10.078 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.439 -9.674 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.851 -8.641 7.120 1.00 0.00 H new ATOM 0 HG SER A 6 13.141 -8.439 7.431 1.00 0.00 H new ATOM 59 N GLY A 7 10.587 -5.544 9.368 1.00 0.00 N ATOM 60 CA GLY A 7 10.375 -4.153 9.015 1.00 0.00 C ATOM 61 C GLY A 7 8.914 -3.835 8.764 1.00 0.00 C ATOM 62 O GLY A 7 8.574 -3.177 7.781 1.00 0.00 O ATOM 0 H GLY A 7 11.153 -5.692 10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.750 -3.517 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.954 -3.915 8.123 1.00 0.00 H new ATOM 66 N SER A 8 8.046 -4.305 9.655 1.00 0.00 N ATOM 67 CA SER A 8 6.613 -4.072 9.523 1.00 0.00 C ATOM 68 C SER A 8 6.222 -2.731 10.135 1.00 0.00 C ATOM 69 O SER A 8 5.160 -2.601 10.744 1.00 0.00 O ATOM 70 CB SER A 8 5.828 -5.201 10.195 1.00 0.00 C ATOM 71 OG SER A 8 5.559 -6.250 9.280 1.00 0.00 O ATOM 0 H SER A 8 8.311 -4.849 10.476 1.00 0.00 H new ATOM 0 HA SER A 8 6.369 -4.051 8.461 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.395 -5.589 11.041 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.891 -4.811 10.591 1.00 0.00 H new ATOM 0 HG SER A 8 5.058 -6.960 9.734 1.00 0.00 H new ATOM 77 N GLU A 9 7.088 -1.736 9.969 1.00 0.00 N ATOM 78 CA GLU A 9 6.834 -0.405 10.506 1.00 0.00 C ATOM 79 C GLU A 9 5.881 0.373 9.603 1.00 0.00 C ATOM 80 O GLU A 9 5.073 1.172 10.076 1.00 0.00 O ATOM 81 CB GLU A 9 8.147 0.365 10.663 1.00 0.00 C ATOM 82 CG GLU A 9 8.002 1.661 11.443 1.00 0.00 C ATOM 83 CD GLU A 9 8.121 1.458 12.941 1.00 0.00 C ATOM 84 OE1 GLU A 9 7.855 0.331 13.408 1.00 0.00 O ATOM 85 OE2 GLU A 9 8.479 2.425 13.645 1.00 0.00 O ATOM 0 H GLU A 9 7.971 -1.827 9.467 1.00 0.00 H new ATOM 0 HA GLU A 9 6.368 -0.519 11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.875 -0.272 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.548 0.588 9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.766 2.366 11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.035 2.110 11.217 1.00 0.00 H new ATOM 92 N ALA A 10 5.982 0.133 8.299 1.00 0.00 N ATOM 93 CA ALA A 10 5.129 0.809 7.330 1.00 0.00 C ATOM 94 C ALA A 10 3.660 0.707 7.725 1.00 0.00 C ATOM 95 O ALA A 10 2.862 1.593 7.420 1.00 0.00 O ATOM 96 CB ALA A 10 5.345 0.228 5.941 1.00 0.00 C ATOM 0 H ALA A 10 6.646 -0.524 7.890 1.00 0.00 H new ATOM 0 HA ALA A 10 5.402 1.864 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.701 0.742 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.387 0.359 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.101 -0.834 5.949 1.00 0.00 H new ATOM 102 N TRP A 11 3.310 -0.379 8.405 1.00 0.00 N ATOM 103 CA TRP A 11 1.935 -0.597 8.842 1.00 0.00 C ATOM 104 C TRP A 11 1.418 0.600 9.631 1.00 0.00 C ATOM 105 O TRP A 11 0.223 0.891 9.620 1.00 0.00 O ATOM 106 CB TRP A 11 1.844 -1.864 9.695 1.00 0.00 C ATOM 107 CG TRP A 11 1.664 -3.113 8.886 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.550 -4.145 8.764 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.528 -3.460 8.087 1.00 0.00 C ATOM 110 NE1 TRP A 11 2.033 -5.113 7.937 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.794 -4.716 7.509 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.688 -2.832 7.804 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.112 -5.354 6.665 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.586 -3.466 6.967 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.295 -4.717 6.406 1.00 0.00 C ATOM 0 H TRP A 11 3.958 -1.122 8.666 1.00 0.00 H new ATOM 0 HA TRP A 11 1.313 -0.719 7.955 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.750 -1.955 10.295 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.010 -1.766 10.390 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.515 -4.193 9.246 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.497 -5.985 7.683 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.922 -1.868 8.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.111 -6.317 6.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.528 -2.989 6.741 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.019 -5.187 5.757 1.00 0.00 H new ATOM 126 N GLU A 12 2.326 1.291 10.313 1.00 0.00 N ATOM 127 CA GLU A 12 1.959 2.457 11.108 1.00 0.00 C ATOM 128 C GLU A 12 1.298 3.522 10.238 1.00 0.00 C ATOM 129 O GLU A 12 0.725 4.487 10.746 1.00 0.00 O ATOM 130 CB GLU A 12 3.194 3.041 11.798 1.00 0.00 C ATOM 131 CG GLU A 12 3.888 2.064 12.732 1.00 0.00 C ATOM 132 CD GLU A 12 3.151 1.888 14.045 1.00 0.00 C ATOM 133 OE1 GLU A 12 2.000 1.404 14.018 1.00 0.00 O ATOM 134 OE2 GLU A 12 3.724 2.234 15.099 1.00 0.00 O ATOM 0 H GLU A 12 3.320 1.064 10.331 1.00 0.00 H new ATOM 0 HA GLU A 12 1.245 2.137 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.903 3.370 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.900 3.925 12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.978 1.097 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.900 2.415 12.932 1.00 0.00 H new ATOM 141 N TYR A 13 1.381 3.340 8.925 1.00 0.00 N ATOM 142 CA TYR A 13 0.794 4.286 7.984 1.00 0.00 C ATOM 143 C TYR A 13 -0.372 3.653 7.231 1.00 0.00 C ATOM 144 O TYR A 13 -0.784 4.140 6.178 1.00 0.00 O ATOM 145 CB TYR A 13 1.851 4.774 6.992 1.00 0.00 C ATOM 146 CG TYR A 13 3.107 5.296 7.653 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.166 4.447 7.946 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.234 6.640 7.984 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.315 4.920 8.551 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.379 7.122 8.588 1.00 0.00 C ATOM 151 CZ TYR A 13 5.416 6.258 8.870 1.00 0.00 C ATOM 152 OH TYR A 13 6.559 6.733 9.471 1.00 0.00 O ATOM 0 H TYR A 13 1.849 2.546 8.488 1.00 0.00 H new ATOM 0 HA TYR A 13 0.418 5.137 8.551 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.116 3.955 6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.421 5.563 6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.090 3.399 7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.423 7.319 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.129 4.246 8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.462 8.169 8.838 1.00 0.00 H new ATOM 0 HH TYR A 13 7.321 6.175 9.211 1.00 0.00 H new ATOM 162 N PHE A 14 -0.900 2.563 7.779 1.00 0.00 N ATOM 163 CA PHE A 14 -2.018 1.861 7.160 1.00 0.00 C ATOM 164 C PHE A 14 -2.877 1.170 8.215 1.00 0.00 C ATOM 165 O PHE A 14 -2.407 0.864 9.312 1.00 0.00 O ATOM 166 CB PHE A 14 -1.506 0.833 6.149 1.00 0.00 C ATOM 167 CG PHE A 14 -0.725 1.441 5.020 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.631 1.692 5.154 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.347 1.762 3.823 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.353 2.251 4.116 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.630 2.320 2.782 1.00 0.00 C ATOM 172 CZ PHE A 14 0.721 2.566 2.929 1.00 0.00 C ATOM 0 H PHE A 14 -0.571 2.147 8.650 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.633 2.596 6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.877 0.108 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.354 0.284 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.130 1.448 6.080 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.404 1.574 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.410 2.441 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.126 2.564 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.282 3.004 2.117 1.00 0.00 H new ATOM 182 N HIS A 15 -4.139 0.927 7.876 1.00 0.00 N ATOM 183 CA HIS A 15 -5.065 0.272 8.793 1.00 0.00 C ATOM 184 C HIS A 15 -6.020 -0.647 8.037 1.00 0.00 C ATOM 185 O HIS A 15 -6.667 -0.231 7.075 1.00 0.00 O ATOM 186 CB HIS A 15 -5.858 1.314 9.582 1.00 0.00 C ATOM 187 CG HIS A 15 -7.160 1.687 8.941 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.193 0.792 8.762 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.593 2.866 8.438 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.206 1.404 8.175 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.867 2.664 7.968 1.00 0.00 N ATOM 0 H HIS A 15 -4.544 1.174 6.973 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.482 -0.332 9.488 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.052 0.929 10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.249 2.211 9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.040 3.793 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.150 0.952 7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.456 3.372 7.530 1.00 0.00 H new ATOM 199 N LEU A 16 -6.103 -1.897 8.478 1.00 0.00 N ATOM 200 CA LEU A 16 -6.978 -2.876 7.842 1.00 0.00 C ATOM 201 C LEU A 16 -8.442 -2.581 8.155 1.00 0.00 C ATOM 202 O LEU A 16 -8.801 -2.318 9.302 1.00 0.00 O ATOM 203 CB LEU A 16 -6.620 -4.288 8.307 1.00 0.00 C ATOM 204 CG LEU A 16 -5.257 -4.817 7.860 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.839 -6.005 8.713 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.289 -5.199 6.388 1.00 0.00 C ATOM 0 H LEU A 16 -5.575 -2.257 9.273 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.835 -2.809 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.656 -4.310 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.388 -4.973 7.948 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.520 -4.025 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.867 -6.368 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.774 -5.698 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.577 -6.801 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.310 -5.573 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.038 -5.975 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.541 -4.323 5.790 1.00 0.00 H new ATOM 218 N ALA A 17 -9.283 -2.629 7.127 1.00 0.00 N ATOM 219 CA ALA A 17 -10.708 -2.371 7.293 1.00 0.00 C ATOM 220 C ALA A 17 -11.473 -3.664 7.554 1.00 0.00 C ATOM 221 O ALA A 17 -11.071 -4.748 7.130 1.00 0.00 O ATOM 222 CB ALA A 17 -11.263 -1.666 6.064 1.00 0.00 C ATOM 0 H ALA A 17 -9.002 -2.844 6.170 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.836 -1.722 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.328 -1.479 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.744 -0.718 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.115 -2.295 5.186 1.00 0.00 H new ATOM 228 N PRO A 18 -12.601 -3.551 8.270 1.00 0.00 N ATOM 229 CA PRO A 18 -13.446 -4.702 8.604 1.00 0.00 C ATOM 230 C PRO A 18 -14.161 -5.269 7.383 1.00 0.00 C ATOM 231 O PRO A 18 -14.466 -4.543 6.437 1.00 0.00 O ATOM 232 CB PRO A 18 -14.458 -4.123 9.595 1.00 0.00 C ATOM 233 CG PRO A 18 -14.520 -2.670 9.269 1.00 0.00 C ATOM 234 CD PRO A 18 -13.140 -2.290 8.808 1.00 0.00 C ATOM 0 HA PRO A 18 -12.864 -5.533 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.434 -4.595 9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.140 -4.284 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.259 -2.476 8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.815 -2.087 10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.171 -1.509 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.532 -1.911 9.629 1.00 0.00 H new ATOM 242 N ALA A 19 -14.427 -6.571 7.410 1.00 0.00 N ATOM 243 CA ALA A 19 -15.109 -7.236 6.307 1.00 0.00 C ATOM 244 C ALA A 19 -16.540 -6.730 6.161 1.00 0.00 C ATOM 245 O ALA A 19 -17.459 -7.248 6.795 1.00 0.00 O ATOM 246 CB ALA A 19 -15.098 -8.743 6.510 1.00 0.00 C ATOM 0 H ALA A 19 -14.180 -7.187 8.185 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.573 -7.001 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.611 -9.226 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.068 -9.096 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.607 -8.988 7.442 1.00 0.00 H new ATOM 252 N ARG A 20 -16.721 -5.714 5.324 1.00 0.00 N ATOM 253 CA ARG A 20 -18.041 -5.137 5.097 1.00 0.00 C ATOM 254 C ARG A 20 -18.580 -5.533 3.726 1.00 0.00 C ATOM 255 O ARG A 20 -17.984 -5.214 2.698 1.00 0.00 O ATOM 256 CB ARG A 20 -17.981 -3.612 5.212 1.00 0.00 C ATOM 257 CG ARG A 20 -17.819 -3.115 6.639 1.00 0.00 C ATOM 258 CD ARG A 20 -19.130 -3.184 7.406 1.00 0.00 C ATOM 259 NE ARG A 20 -19.200 -2.178 8.462 1.00 0.00 N ATOM 260 CZ ARG A 20 -20.336 -1.780 9.024 1.00 0.00 C ATOM 261 NH1 ARG A 20 -21.491 -2.301 8.633 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.318 -0.860 9.980 1.00 0.00 N ATOM 0 H ARG A 20 -15.971 -5.273 4.792 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.716 -5.526 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.150 -3.243 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.892 -3.188 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.065 -3.714 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.456 -2.087 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.962 -3.043 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.243 -4.176 7.843 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.329 -1.758 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.509 -3.009 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.362 -1.994 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.431 -0.458 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.191 -0.555 10.411 1.00 0.00 H new ATOM 276 N ALA A 21 -19.710 -6.232 3.719 1.00 0.00 N ATOM 277 CA ALA A 21 -20.330 -6.671 2.475 1.00 0.00 C ATOM 278 C ALA A 21 -19.291 -7.243 1.516 1.00 0.00 C ATOM 279 O ALA A 21 -19.315 -6.961 0.319 1.00 0.00 O ATOM 280 CB ALA A 21 -21.076 -5.517 1.821 1.00 0.00 C ATOM 0 H ALA A 21 -20.215 -6.507 4.562 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.042 -7.462 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.534 -5.859 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -21.851 -5.156 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.378 -4.709 1.604 1.00 0.00 H new ATOM 286 N GLY A 22 -18.378 -8.048 2.052 1.00 0.00 N ATOM 287 CA GLY A 22 -17.343 -8.646 1.229 1.00 0.00 C ATOM 288 C GLY A 22 -16.705 -9.853 1.887 1.00 0.00 C ATOM 289 O GLY A 22 -17.223 -10.378 2.873 1.00 0.00 O ATOM 0 H GLY A 22 -18.337 -8.296 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.770 -8.942 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.575 -7.902 1.019 1.00 0.00 H new ATOM 293 N HIS A 23 -15.578 -10.298 1.339 1.00 0.00 N ATOM 294 CA HIS A 23 -14.869 -11.453 1.878 1.00 0.00 C ATOM 295 C HIS A 23 -14.228 -11.117 3.222 1.00 0.00 C ATOM 296 O HIS A 23 -14.234 -9.964 3.654 1.00 0.00 O ATOM 297 CB HIS A 23 -13.800 -11.927 0.894 1.00 0.00 C ATOM 298 CG HIS A 23 -14.257 -11.928 -0.532 1.00 0.00 C ATOM 299 ND1 HIS A 23 -15.036 -12.929 -1.073 1.00 0.00 N ATOM 300 CD2 HIS A 23 -14.043 -11.040 -1.531 1.00 0.00 C ATOM 301 CE1 HIS A 23 -15.279 -12.658 -2.343 1.00 0.00 C ATOM 302 NE2 HIS A 23 -14.688 -11.517 -2.646 1.00 0.00 N ATOM 0 H HIS A 23 -15.137 -9.876 0.522 1.00 0.00 H new ATOM 0 HA HIS A 23 -15.592 -12.254 2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.924 -11.285 0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.487 -12.935 1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.471 -10.126 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.862 -13.266 -3.019 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.707 -11.063 -3.559 1.00 0.00 H new ATOM 310 N HIS A 24 -13.675 -12.133 3.878 1.00 0.00 N ATOM 311 CA HIS A 24 -13.030 -11.945 5.172 1.00 0.00 C ATOM 312 C HIS A 24 -12.200 -10.665 5.186 1.00 0.00 C ATOM 313 O HIS A 24 -11.789 -10.152 4.144 1.00 0.00 O ATOM 314 CB HIS A 24 -12.142 -13.146 5.502 1.00 0.00 C ATOM 315 CG HIS A 24 -10.707 -12.952 5.120 1.00 0.00 C ATOM 316 ND1 HIS A 24 -10.315 -12.261 3.993 1.00 0.00 N ATOM 317 CD2 HIS A 24 -9.567 -13.363 5.723 1.00 0.00 C ATOM 318 CE1 HIS A 24 -8.996 -12.256 3.919 1.00 0.00 C ATOM 319 NE2 HIS A 24 -8.518 -12.918 4.957 1.00 0.00 N ATOM 0 H HIS A 24 -13.661 -13.093 3.535 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.809 -11.859 5.929 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.201 -13.348 6.572 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.530 -14.026 4.990 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.945 -11.822 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.496 -13.935 6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.409 -11.790 3.142 1.00 0.00 H new ATOM 327 N PRO A 25 -11.947 -10.136 6.392 1.00 0.00 N ATOM 328 CA PRO A 25 -11.165 -8.909 6.569 1.00 0.00 C ATOM 329 C PRO A 25 -9.689 -9.109 6.239 1.00 0.00 C ATOM 330 O PRO A 25 -9.295 -10.157 5.729 1.00 0.00 O ATOM 331 CB PRO A 25 -11.341 -8.587 8.055 1.00 0.00 C ATOM 332 CG PRO A 25 -11.636 -9.900 8.694 1.00 0.00 C ATOM 333 CD PRO A 25 -12.405 -10.694 7.675 1.00 0.00 C ATOM 0 HA PRO A 25 -11.500 -8.113 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.440 -8.137 8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.154 -7.878 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.716 -10.413 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.218 -9.768 9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.189 -11.760 7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.481 -10.577 7.803 1.00 0.00 H new ATOM 341 N ASN A 26 -8.879 -8.098 6.535 1.00 0.00 N ATOM 342 CA ASN A 26 -7.446 -8.164 6.269 1.00 0.00 C ATOM 343 C ASN A 26 -7.178 -8.380 4.783 1.00 0.00 C ATOM 344 O ASN A 26 -6.290 -9.144 4.407 1.00 0.00 O ATOM 345 CB ASN A 26 -6.807 -9.291 7.083 1.00 0.00 C ATOM 346 CG ASN A 26 -6.326 -8.822 8.442 1.00 0.00 C ATOM 347 OD1 ASN A 26 -7.051 -8.141 9.169 1.00 0.00 O ATOM 348 ND2 ASN A 26 -5.097 -9.183 8.792 1.00 0.00 N ATOM 0 H ASN A 26 -9.190 -7.224 6.959 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.002 -7.214 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.530 -10.096 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.967 -9.706 6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.719 -8.896 9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.531 -9.748 8.158 1.00 0.00 H new ATOM 355 N GLN A 27 -7.952 -7.700 3.943 1.00 0.00 N ATOM 356 CA GLN A 27 -7.798 -7.818 2.498 1.00 0.00 C ATOM 357 C GLN A 27 -7.210 -6.540 1.907 1.00 0.00 C ATOM 358 O GLN A 27 -6.363 -6.590 1.015 1.00 0.00 O ATOM 359 CB GLN A 27 -9.146 -8.123 1.842 1.00 0.00 C ATOM 360 CG GLN A 27 -10.243 -7.141 2.222 1.00 0.00 C ATOM 361 CD GLN A 27 -11.546 -7.413 1.497 1.00 0.00 C ATOM 362 OE1 GLN A 27 -12.614 -7.450 2.108 1.00 0.00 O ATOM 363 NE2 GLN A 27 -11.465 -7.605 0.185 1.00 0.00 N ATOM 0 H GLN A 27 -8.691 -7.062 4.238 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.111 -8.640 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.023 -8.117 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.458 -9.129 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.413 -7.190 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.912 -6.127 1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.559 -7.566 -0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.309 -7.792 -0.356 1.00 0.00 H new ATOM 372 N TYR A 28 -7.664 -5.398 2.411 1.00 0.00 N ATOM 373 CA TYR A 28 -7.185 -4.107 1.931 1.00 0.00 C ATOM 374 C TYR A 28 -6.635 -3.269 3.081 1.00 0.00 C ATOM 375 O TYR A 28 -7.162 -3.297 4.192 1.00 0.00 O ATOM 376 CB TYR A 28 -8.313 -3.351 1.227 1.00 0.00 C ATOM 377 CG TYR A 28 -8.539 -3.793 -0.201 1.00 0.00 C ATOM 378 CD1 TYR A 28 -7.744 -3.309 -1.233 1.00 0.00 C ATOM 379 CD2 TYR A 28 -9.549 -4.692 -0.518 1.00 0.00 C ATOM 380 CE1 TYR A 28 -7.948 -3.710 -2.539 1.00 0.00 C ATOM 381 CE2 TYR A 28 -9.759 -5.099 -1.821 1.00 0.00 C ATOM 382 CZ TYR A 28 -8.957 -4.605 -2.828 1.00 0.00 C ATOM 383 OH TYR A 28 -9.164 -5.007 -4.128 1.00 0.00 O ATOM 0 H TYR A 28 -8.363 -5.340 3.152 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.379 -4.288 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.236 -3.486 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.086 -2.285 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.954 -2.608 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.181 -5.079 0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.321 -3.325 -3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.547 -5.801 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.912 -5.640 -4.160 1.00 0.00 H new ATOM 393 N ALA A 29 -5.570 -2.523 2.804 1.00 0.00 N ATOM 394 CA ALA A 29 -4.949 -1.674 3.813 1.00 0.00 C ATOM 395 C ALA A 29 -5.236 -0.201 3.543 1.00 0.00 C ATOM 396 O ALA A 29 -4.925 0.317 2.470 1.00 0.00 O ATOM 397 CB ALA A 29 -3.449 -1.922 3.860 1.00 0.00 C ATOM 0 H ALA A 29 -5.120 -2.490 1.889 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.379 -1.929 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.998 -1.281 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.261 -2.966 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.012 -1.696 2.887 1.00 0.00 H new ATOM 403 N THR A 30 -5.832 0.471 4.524 1.00 0.00 N ATOM 404 CA THR A 30 -6.163 1.884 4.391 1.00 0.00 C ATOM 405 C THR A 30 -5.019 2.764 4.881 1.00 0.00 C ATOM 406 O THR A 30 -4.730 2.816 6.077 1.00 0.00 O ATOM 407 CB THR A 30 -7.441 2.238 5.175 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.487 1.317 4.848 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.891 3.657 4.863 1.00 0.00 C ATOM 0 H THR A 30 -6.095 0.059 5.419 1.00 0.00 H new ATOM 0 HA THR A 30 -6.333 2.071 3.331 1.00 0.00 H new ATOM 0 HB THR A 30 -7.218 2.170 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.295 1.548 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.795 3.885 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.104 4.358 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.097 3.747 3.797 1.00 0.00 H new ATOM 417 N CYS A 31 -4.371 3.457 3.951 1.00 0.00 N ATOM 418 CA CYS A 31 -3.258 4.337 4.288 1.00 0.00 C ATOM 419 C CYS A 31 -3.713 5.457 5.219 1.00 0.00 C ATOM 420 O CYS A 31 -4.622 6.220 4.892 1.00 0.00 O ATOM 421 CB CYS A 31 -2.648 4.932 3.017 1.00 0.00 C ATOM 422 SG CYS A 31 -0.964 5.590 3.239 1.00 0.00 S ATOM 0 H CYS A 31 -4.598 3.426 2.957 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.502 3.744 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.628 4.165 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.295 5.732 2.656 1.00 0.00 H new ATOM 427 N ARG A 32 -3.074 5.548 6.381 1.00 0.00 N ATOM 428 CA ARG A 32 -3.413 6.574 7.361 1.00 0.00 C ATOM 429 C ARG A 32 -2.716 7.891 7.032 1.00 0.00 C ATOM 430 O ARG A 32 -2.858 8.878 7.755 1.00 0.00 O ATOM 431 CB ARG A 32 -3.023 6.114 8.767 1.00 0.00 C ATOM 432 CG ARG A 32 -3.716 4.834 9.203 1.00 0.00 C ATOM 433 CD ARG A 32 -2.890 4.076 10.230 1.00 0.00 C ATOM 434 NE ARG A 32 -2.962 4.690 11.553 1.00 0.00 N ATOM 435 CZ ARG A 32 -2.544 4.094 12.664 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.026 2.875 12.612 1.00 0.00 N ATOM 437 NH2 ARG A 32 -2.643 4.718 13.831 1.00 0.00 N ATOM 0 H ARG A 32 -2.319 4.924 6.667 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.490 6.735 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.944 5.964 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.260 6.906 9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.692 5.073 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.890 4.199 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.242 3.046 10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.851 4.040 9.904 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.355 5.628 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.947 2.392 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.706 2.420 13.467 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.040 5.656 13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.322 4.259 14.683 1.00 0.00 H new ATOM 451 N LEU A 33 -1.962 7.898 5.939 1.00 0.00 N ATOM 452 CA LEU A 33 -1.242 9.094 5.514 1.00 0.00 C ATOM 453 C LEU A 33 -2.066 9.901 4.516 1.00 0.00 C ATOM 454 O LEU A 33 -2.248 11.108 4.678 1.00 0.00 O ATOM 455 CB LEU A 33 0.102 8.709 4.891 1.00 0.00 C ATOM 456 CG LEU A 33 1.217 8.347 5.872 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.481 7.955 5.121 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.494 9.507 6.817 1.00 0.00 C ATOM 0 H LEU A 33 -1.833 7.090 5.331 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.064 9.713 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.058 7.861 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.444 9.539 4.273 1.00 0.00 H new ATOM 0 HG LEU A 33 0.891 7.492 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.264 7.700 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.275 7.093 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.811 8.790 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.290 9.231 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.800 10.380 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.590 9.742 7.380 1.00 0.00 H new ATOM 470 N CYS A 34 -2.564 9.226 3.486 1.00 0.00 N ATOM 471 CA CYS A 34 -3.371 9.878 2.462 1.00 0.00 C ATOM 472 C CYS A 34 -4.814 9.383 2.509 1.00 0.00 C ATOM 473 O CYS A 34 -5.752 10.152 2.303 1.00 0.00 O ATOM 474 CB CYS A 34 -2.777 9.622 1.075 1.00 0.00 C ATOM 475 SG CYS A 34 -2.647 7.859 0.636 1.00 0.00 S ATOM 0 H CYS A 34 -2.423 8.227 3.338 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.367 10.950 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.391 10.127 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.785 10.071 1.028 1.00 0.00 H new ATOM 480 N GLY A 35 -4.982 8.093 2.782 1.00 0.00 N ATOM 481 CA GLY A 35 -6.313 7.517 2.852 1.00 0.00 C ATOM 482 C GLY A 35 -6.635 6.654 1.648 1.00 0.00 C ATOM 483 O GLY A 35 -7.795 6.534 1.255 1.00 0.00 O ATOM 0 H GLY A 35 -4.221 7.436 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.399 6.918 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.049 8.318 2.928 1.00 0.00 H new ATOM 487 N ARG A 36 -5.605 6.054 1.060 1.00 0.00 N ATOM 488 CA ARG A 36 -5.784 5.200 -0.108 1.00 0.00 C ATOM 489 C ARG A 36 -5.660 3.727 0.271 1.00 0.00 C ATOM 490 O ARG A 36 -4.888 3.368 1.159 1.00 0.00 O ATOM 491 CB ARG A 36 -4.754 5.549 -1.184 1.00 0.00 C ATOM 492 CG ARG A 36 -5.171 6.709 -2.073 1.00 0.00 C ATOM 493 CD ARG A 36 -4.456 6.668 -3.415 1.00 0.00 C ATOM 494 NE ARG A 36 -4.503 7.957 -4.099 1.00 0.00 N ATOM 495 CZ ARG A 36 -3.644 8.317 -5.047 1.00 0.00 C ATOM 496 NH1 ARG A 36 -2.677 7.490 -5.419 1.00 0.00 N ATOM 497 NH2 ARG A 36 -3.751 9.508 -5.623 1.00 0.00 N ATOM 0 H ARG A 36 -4.638 6.144 1.373 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.785 5.373 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.807 5.793 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.579 4.671 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.249 6.677 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.951 7.651 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.417 6.376 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.913 5.906 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.235 8.617 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.591 6.575 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.019 7.769 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.493 10.148 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.091 9.784 -6.351 1.00 0.00 H new ATOM 511 N GLN A 37 -6.427 2.880 -0.409 1.00 0.00 N ATOM 512 CA GLN A 37 -6.403 1.447 -0.142 1.00 0.00 C ATOM 513 C GLN A 37 -5.301 0.762 -0.944 1.00 0.00 C ATOM 514 O GLN A 37 -5.175 0.972 -2.150 1.00 0.00 O ATOM 515 CB GLN A 37 -7.759 0.822 -0.479 1.00 0.00 C ATOM 516 CG GLN A 37 -8.849 1.156 0.527 1.00 0.00 C ATOM 517 CD GLN A 37 -9.979 0.145 0.520 1.00 0.00 C ATOM 518 OE1 GLN A 37 -10.500 -0.212 -0.537 1.00 0.00 O ATOM 519 NE2 GLN A 37 -10.364 -0.321 1.702 1.00 0.00 N ATOM 0 H GLN A 37 -7.072 3.161 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.198 1.304 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.071 1.162 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.647 -0.261 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.415 1.203 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.250 2.145 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.904 0.003 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.120 -1.003 1.760 1.00 0.00 H new ATOM 528 N VAL A 38 -4.505 -0.058 -0.265 1.00 0.00 N ATOM 529 CA VAL A 38 -3.414 -0.774 -0.914 1.00 0.00 C ATOM 530 C VAL A 38 -3.473 -2.265 -0.601 1.00 0.00 C ATOM 531 O VAL A 38 -3.030 -2.705 0.460 1.00 0.00 O ATOM 532 CB VAL A 38 -2.043 -0.223 -0.479 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.918 -1.028 -1.112 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.923 1.250 -0.838 1.00 0.00 C ATOM 0 H VAL A 38 -4.596 -0.243 0.734 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.532 -0.626 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.960 -0.318 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.043 -0.624 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.995 -2.069 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.994 -0.968 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.948 1.623 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.027 1.371 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.707 1.813 -0.332 1.00 0.00 H new ATOM 544 N SER A 39 -4.022 -3.039 -1.532 1.00 0.00 N ATOM 545 CA SER A 39 -4.142 -4.481 -1.355 1.00 0.00 C ATOM 546 C SER A 39 -2.772 -5.118 -1.143 1.00 0.00 C ATOM 547 O SER A 39 -1.925 -5.106 -2.036 1.00 0.00 O ATOM 548 CB SER A 39 -4.827 -5.111 -2.569 1.00 0.00 C ATOM 549 OG SER A 39 -4.117 -4.823 -3.761 1.00 0.00 O ATOM 0 H SER A 39 -4.391 -2.691 -2.417 1.00 0.00 H new ATOM 0 HA SER A 39 -4.750 -4.663 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.894 -6.190 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.847 -4.736 -2.650 1.00 0.00 H new ATOM 0 HG SER A 39 -3.158 -4.774 -3.567 1.00 0.00 H new ATOM 555 N ARG A 40 -2.562 -5.674 0.046 1.00 0.00 N ATOM 556 CA ARG A 40 -1.296 -6.316 0.377 1.00 0.00 C ATOM 557 C ARG A 40 -0.940 -7.382 -0.655 1.00 0.00 C ATOM 558 O ARG A 40 0.093 -7.299 -1.318 1.00 0.00 O ATOM 559 CB ARG A 40 -1.366 -6.943 1.770 1.00 0.00 C ATOM 560 CG ARG A 40 -0.016 -7.044 2.461 1.00 0.00 C ATOM 561 CD ARG A 40 -0.161 -7.497 3.906 1.00 0.00 C ATOM 562 NE ARG A 40 -0.662 -8.866 4.002 1.00 0.00 N ATOM 563 CZ ARG A 40 -1.953 -9.175 4.045 1.00 0.00 C ATOM 564 NH1 ARG A 40 -2.869 -8.218 4.000 1.00 0.00 N ATOM 565 NH2 ARG A 40 -2.329 -10.444 4.133 1.00 0.00 N ATOM 0 H ARG A 40 -3.253 -5.693 0.796 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.518 -5.553 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.039 -6.353 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.799 -7.940 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.619 -7.746 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.483 -6.075 2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.805 -7.428 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.840 -6.825 4.430 1.00 0.00 H new ATOM 0 HE ARG A 40 0.017 -9.626 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.583 -7.241 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.860 -8.458 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.627 -11.183 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.321 -10.681 4.166 1.00 0.00 H new ATOM 579 N GLY A 41 -1.804 -8.385 -0.784 1.00 0.00 N ATOM 580 CA GLY A 41 -1.563 -9.453 -1.736 1.00 0.00 C ATOM 581 C GLY A 41 -1.141 -10.745 -1.064 1.00 0.00 C ATOM 582 O GLY A 41 -1.328 -10.933 0.139 1.00 0.00 O ATOM 0 H GLY A 41 -2.666 -8.476 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.468 -9.628 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.789 -9.142 -2.438 1.00 0.00 H new ATOM 586 N PRO A 42 -0.560 -11.663 -1.849 1.00 0.00 N ATOM 587 CA PRO A 42 -0.100 -12.960 -1.344 1.00 0.00 C ATOM 588 C PRO A 42 1.115 -12.829 -0.432 1.00 0.00 C ATOM 589 O PRO A 42 1.426 -11.741 0.052 1.00 0.00 O ATOM 590 CB PRO A 42 0.268 -13.726 -2.617 1.00 0.00 C ATOM 591 CG PRO A 42 0.590 -12.669 -3.616 1.00 0.00 C ATOM 592 CD PRO A 42 -0.306 -11.506 -3.291 1.00 0.00 C ATOM 0 HA PRO A 42 -0.859 -13.454 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.120 -14.385 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.558 -14.352 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.640 -12.382 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.415 -13.025 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.176 -10.554 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.230 -11.538 -3.868 1.00 0.00 H new ATOM 600 N GLY A 43 1.799 -13.946 -0.200 1.00 0.00 N ATOM 601 CA GLY A 43 2.972 -13.934 0.654 1.00 0.00 C ATOM 602 C GLY A 43 3.759 -12.643 0.540 1.00 0.00 C ATOM 603 O GLY A 43 4.610 -12.503 -0.339 1.00 0.00 O ATOM 0 H GLY A 43 1.561 -14.859 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.665 -14.078 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.617 -14.773 0.393 1.00 0.00 H new ATOM 607 N VAL A 44 3.475 -11.697 1.429 1.00 0.00 N ATOM 608 CA VAL A 44 4.162 -10.411 1.423 1.00 0.00 C ATOM 609 C VAL A 44 5.221 -10.349 2.518 1.00 0.00 C ATOM 610 O VAL A 44 5.420 -9.309 3.144 1.00 0.00 O ATOM 611 CB VAL A 44 3.174 -9.246 1.613 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.653 -9.214 3.042 1.00 0.00 C ATOM 613 CG2 VAL A 44 3.833 -7.924 1.248 1.00 0.00 C ATOM 0 H VAL A 44 2.774 -11.797 2.163 1.00 0.00 H new ATOM 0 HA VAL A 44 4.643 -10.314 0.450 1.00 0.00 H new ATOM 0 HB VAL A 44 2.326 -9.400 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.956 -8.384 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.141 -10.151 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.488 -9.085 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.120 -7.111 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.700 -7.761 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.151 -7.952 0.206 1.00 0.00 H new ATOM 623 N ASN A 45 5.898 -11.471 2.744 1.00 0.00 N ATOM 624 CA ASN A 45 6.937 -11.544 3.764 1.00 0.00 C ATOM 625 C ASN A 45 8.296 -11.166 3.184 1.00 0.00 C ATOM 626 O ASN A 45 9.156 -12.023 2.977 1.00 0.00 O ATOM 627 CB ASN A 45 6.998 -12.953 4.359 1.00 0.00 C ATOM 628 CG ASN A 45 5.653 -13.419 4.880 1.00 0.00 C ATOM 629 OD1 ASN A 45 4.744 -13.717 4.105 1.00 0.00 O ATOM 630 ND2 ASN A 45 5.520 -13.484 6.200 1.00 0.00 N ATOM 0 H ASN A 45 5.745 -12.341 2.234 1.00 0.00 H new ATOM 0 HA ASN A 45 6.688 -10.834 4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.352 -13.650 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.725 -12.970 5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.637 -13.791 6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.300 -13.227 6.804 1.00 0.00 H new ATOM 637 N VAL A 46 8.484 -9.876 2.924 1.00 0.00 N ATOM 638 CA VAL A 46 9.739 -9.382 2.369 1.00 0.00 C ATOM 639 C VAL A 46 10.206 -8.128 3.098 1.00 0.00 C ATOM 640 O VAL A 46 9.395 -7.331 3.568 1.00 0.00 O ATOM 641 CB VAL A 46 9.605 -9.070 0.867 1.00 0.00 C ATOM 642 CG1 VAL A 46 8.690 -7.875 0.650 1.00 0.00 C ATOM 643 CG2 VAL A 46 10.973 -8.824 0.250 1.00 0.00 C ATOM 0 H VAL A 46 7.783 -9.154 3.089 1.00 0.00 H new ATOM 0 HA VAL A 46 10.477 -10.173 2.503 1.00 0.00 H new ATOM 0 HB VAL A 46 9.159 -9.933 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.607 -7.669 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.702 -8.095 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.104 -7.003 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.859 -8.605 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.449 -7.978 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.593 -9.712 0.373 1.00 0.00 H new ATOM 653 N GLY A 47 11.522 -7.958 3.189 1.00 0.00 N ATOM 654 CA GLY A 47 12.076 -6.797 3.862 1.00 0.00 C ATOM 655 C GLY A 47 11.350 -5.516 3.501 1.00 0.00 C ATOM 656 O GLY A 47 11.218 -4.613 4.327 1.00 0.00 O ATOM 0 H GLY A 47 12.214 -8.603 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.026 -6.948 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.130 -6.699 3.602 1.00 0.00 H new ATOM 660 N THR A 48 10.878 -5.435 2.260 1.00 0.00 N ATOM 661 CA THR A 48 10.164 -4.255 1.790 1.00 0.00 C ATOM 662 C THR A 48 8.662 -4.509 1.727 1.00 0.00 C ATOM 663 O THR A 48 8.124 -4.859 0.676 1.00 0.00 O ATOM 664 CB THR A 48 10.658 -3.817 0.398 1.00 0.00 C ATOM 665 OG1 THR A 48 12.033 -3.424 0.468 1.00 0.00 O ATOM 666 CG2 THR A 48 9.822 -2.663 -0.134 1.00 0.00 C ATOM 0 H THR A 48 10.978 -6.173 1.563 1.00 0.00 H new ATOM 0 HA THR A 48 10.365 -3.458 2.506 1.00 0.00 H new ATOM 0 HB THR A 48 10.556 -4.662 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.340 -3.149 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.189 -2.371 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.780 -2.974 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.896 -1.815 0.547 1.00 0.00 H new ATOM 674 N THR A 49 7.988 -4.330 2.859 1.00 0.00 N ATOM 675 CA THR A 49 6.548 -4.540 2.932 1.00 0.00 C ATOM 676 C THR A 49 5.825 -3.788 1.821 1.00 0.00 C ATOM 677 O THR A 49 6.050 -2.595 1.618 1.00 0.00 O ATOM 678 CB THR A 49 5.983 -4.091 4.293 1.00 0.00 C ATOM 679 OG1 THR A 49 6.846 -4.526 5.349 1.00 0.00 O ATOM 680 CG2 THR A 49 4.585 -4.651 4.510 1.00 0.00 C ATOM 0 H THR A 49 8.417 -4.040 3.738 1.00 0.00 H new ATOM 0 HA THR A 49 6.379 -5.610 2.812 1.00 0.00 H new ATOM 0 HB THR A 49 5.926 -3.003 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.481 -4.235 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.207 -4.321 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.923 -4.294 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.622 -5.740 4.488 1.00 0.00 H new ATOM 688 N ALA A 50 4.955 -4.492 1.105 1.00 0.00 N ATOM 689 CA ALA A 50 4.196 -3.889 0.016 1.00 0.00 C ATOM 690 C ALA A 50 3.815 -2.449 0.343 1.00 0.00 C ATOM 691 O ALA A 50 3.701 -1.608 -0.549 1.00 0.00 O ATOM 692 CB ALA A 50 2.951 -4.712 -0.280 1.00 0.00 C ATOM 0 H ALA A 50 4.758 -5.481 1.259 1.00 0.00 H new ATOM 0 HA ALA A 50 4.829 -3.877 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.394 -4.250 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.242 -5.722 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.323 -4.755 0.610 1.00 0.00 H new ATOM 698 N LEU A 51 3.620 -2.171 1.628 1.00 0.00 N ATOM 699 CA LEU A 51 3.251 -0.832 2.073 1.00 0.00 C ATOM 700 C LEU A 51 4.349 0.174 1.742 1.00 0.00 C ATOM 701 O LEU A 51 4.100 1.185 1.086 1.00 0.00 O ATOM 702 CB LEU A 51 2.980 -0.831 3.579 1.00 0.00 C ATOM 703 CG LEU A 51 2.054 -1.934 4.095 1.00 0.00 C ATOM 704 CD1 LEU A 51 2.154 -2.050 5.608 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.617 -1.665 3.672 1.00 0.00 C ATOM 0 H LEU A 51 3.711 -2.855 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 2.343 -0.538 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.934 -0.912 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.550 0.133 3.850 1.00 0.00 H new ATOM 0 HG LEU A 51 2.369 -2.881 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.488 -2.839 5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.180 -2.290 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.865 -1.104 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.028 -2.460 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.290 -0.709 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.558 -1.634 2.584 1.00 0.00 H new ATOM 717 N TRP A 52 5.563 -0.112 2.199 1.00 0.00 N ATOM 718 CA TRP A 52 6.699 0.767 1.949 1.00 0.00 C ATOM 719 C TRP A 52 6.670 1.303 0.522 1.00 0.00 C ATOM 720 O TRP A 52 6.706 2.514 0.302 1.00 0.00 O ATOM 721 CB TRP A 52 8.011 0.022 2.200 1.00 0.00 C ATOM 722 CG TRP A 52 8.286 -0.225 3.652 1.00 0.00 C ATOM 723 CD1 TRP A 52 8.116 -1.398 4.331 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.778 0.724 4.605 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.472 -1.235 5.648 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.882 0.058 5.841 1.00 0.00 C ATOM 727 CE3 TRP A 52 9.142 2.072 4.533 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.334 0.695 6.994 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.590 2.702 5.678 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.684 2.014 6.895 1.00 0.00 C ATOM 0 H TRP A 52 5.786 -0.945 2.744 1.00 0.00 H new ATOM 0 HA TRP A 52 6.631 1.611 2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.984 -0.933 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.834 0.597 1.774 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.755 -2.318 3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.437 -1.959 6.366 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.074 2.611 3.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.406 0.167 7.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.873 3.743 5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.040 2.535 7.772 1.00 0.00 H new ATOM 741 N LYS A 53 6.603 0.395 -0.446 1.00 0.00 N ATOM 742 CA LYS A 53 6.567 0.776 -1.853 1.00 0.00 C ATOM 743 C LYS A 53 5.699 2.012 -2.059 1.00 0.00 C ATOM 744 O LYS A 53 6.070 2.928 -2.794 1.00 0.00 O ATOM 745 CB LYS A 53 6.036 -0.381 -2.702 1.00 0.00 C ATOM 746 CG LYS A 53 7.085 -1.431 -3.025 1.00 0.00 C ATOM 747 CD LYS A 53 6.581 -2.424 -4.058 1.00 0.00 C ATOM 748 CE LYS A 53 7.629 -3.480 -4.374 1.00 0.00 C ATOM 749 NZ LYS A 53 7.228 -4.332 -5.527 1.00 0.00 N ATOM 0 H LYS A 53 6.573 -0.611 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 53 7.584 1.012 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.208 -0.857 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.634 0.018 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.986 -0.944 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.362 -1.962 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.676 -2.907 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.310 -1.894 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.579 -2.994 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.788 -4.107 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.968 -5.039 -5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.334 -4.816 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.101 -3.737 -6.371 1.00 0.00 H new ATOM 763 N HIS A 54 4.542 2.034 -1.405 1.00 0.00 N ATOM 764 CA HIS A 54 3.621 3.160 -1.515 1.00 0.00 C ATOM 765 C HIS A 54 4.151 4.371 -0.754 1.00 0.00 C ATOM 766 O HIS A 54 4.112 5.497 -1.252 1.00 0.00 O ATOM 767 CB HIS A 54 2.241 2.772 -0.983 1.00 0.00 C ATOM 768 CG HIS A 54 1.241 3.885 -1.047 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.656 4.305 -2.223 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.721 4.665 -0.070 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.179 5.296 -1.967 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.159 5.533 -0.668 1.00 0.00 N ATOM 0 H HIS A 54 4.220 1.284 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 54 3.534 3.425 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.865 1.924 -1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.339 2.441 0.051 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.839 3.912 -3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.955 4.614 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.777 5.823 -2.696 1.00 0.00 H new ATOM 780 N LEU A 55 4.646 4.133 0.456 1.00 0.00 N ATOM 781 CA LEU A 55 5.183 5.205 1.287 1.00 0.00 C ATOM 782 C LEU A 55 6.336 5.914 0.584 1.00 0.00 C ATOM 783 O LEU A 55 6.521 7.122 0.734 1.00 0.00 O ATOM 784 CB LEU A 55 5.656 4.647 2.630 1.00 0.00 C ATOM 785 CG LEU A 55 4.573 4.045 3.526 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.199 3.239 4.653 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.674 5.138 4.084 1.00 0.00 C ATOM 0 H LEU A 55 4.687 3.208 0.883 1.00 0.00 H new ATOM 0 HA LEU A 55 4.387 5.930 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.408 3.881 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.150 5.448 3.180 1.00 0.00 H new ATOM 0 HG LEU A 55 3.962 3.373 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.413 2.819 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.799 2.432 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.835 3.888 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.909 4.691 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.271 5.836 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.197 5.671 3.262 1.00 0.00 H new ATOM 799 N LYS A 56 7.109 5.155 -0.187 1.00 0.00 N ATOM 800 CA LYS A 56 8.242 5.709 -0.917 1.00 0.00 C ATOM 801 C LYS A 56 7.829 6.131 -2.324 1.00 0.00 C ATOM 802 O LYS A 56 8.599 6.769 -3.042 1.00 0.00 O ATOM 803 CB LYS A 56 9.377 4.686 -0.993 1.00 0.00 C ATOM 804 CG LYS A 56 9.730 4.069 0.350 1.00 0.00 C ATOM 805 CD LYS A 56 10.232 2.644 0.194 1.00 0.00 C ATOM 806 CE LYS A 56 11.743 2.601 0.024 1.00 0.00 C ATOM 807 NZ LYS A 56 12.198 1.316 -0.576 1.00 0.00 N ATOM 0 H LYS A 56 6.970 4.154 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 56 8.592 6.591 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.094 3.893 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.263 5.168 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.494 4.673 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.853 4.078 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.946 2.059 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.754 2.181 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.061 3.430 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.221 2.738 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.233 1.327 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.917 0.527 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.762 1.196 -1.512 1.00 0.00 H new ATOM 821 N SER A 57 6.609 5.771 -2.711 1.00 0.00 N ATOM 822 CA SER A 57 6.096 6.110 -4.033 1.00 0.00 C ATOM 823 C SER A 57 5.532 7.527 -4.049 1.00 0.00 C ATOM 824 O SER A 57 5.679 8.254 -5.031 1.00 0.00 O ATOM 825 CB SER A 57 5.013 5.113 -4.453 1.00 0.00 C ATOM 826 OG SER A 57 4.433 5.483 -5.692 1.00 0.00 O ATOM 0 H SER A 57 5.958 5.245 -2.128 1.00 0.00 H new ATOM 0 HA SER A 57 6.923 6.058 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.444 4.115 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.240 5.066 -3.686 1.00 0.00 H new ATOM 0 HG SER A 57 3.745 4.830 -5.939 1.00 0.00 H new ATOM 832 N MET A 58 4.886 7.913 -2.954 1.00 0.00 N ATOM 833 CA MET A 58 4.300 9.244 -2.841 1.00 0.00 C ATOM 834 C MET A 58 4.746 9.927 -1.552 1.00 0.00 C ATOM 835 O MET A 58 5.014 11.128 -1.535 1.00 0.00 O ATOM 836 CB MET A 58 2.773 9.158 -2.885 1.00 0.00 C ATOM 837 CG MET A 58 2.172 8.417 -1.702 1.00 0.00 C ATOM 838 SD MET A 58 0.401 8.709 -1.527 1.00 0.00 S ATOM 839 CE MET A 58 -0.134 8.575 -3.231 1.00 0.00 C ATOM 0 H MET A 58 4.755 7.323 -2.132 1.00 0.00 H new ATOM 0 HA MET A 58 4.647 9.839 -3.685 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.361 10.167 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.472 8.660 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.350 7.348 -1.819 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.679 8.727 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.214 8.429 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.125 9.488 -3.767 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.361 7.726 -3.702 1.00 0.00 H new ATOM 849 N HIS A 59 4.822 9.153 -0.474 1.00 0.00 N ATOM 850 CA HIS A 59 5.236 9.684 0.820 1.00 0.00 C ATOM 851 C HIS A 59 6.752 9.608 0.979 1.00 0.00 C ATOM 852 O HIS A 59 7.269 9.609 2.096 1.00 0.00 O ATOM 853 CB HIS A 59 4.554 8.915 1.952 1.00 0.00 C ATOM 854 CG HIS A 59 3.058 8.963 1.893 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.332 10.111 2.128 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.152 7.995 1.620 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.043 9.847 2.005 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.907 8.570 1.696 1.00 0.00 N ATOM 0 H HIS A 59 4.603 8.157 -0.471 1.00 0.00 H new ATOM 0 HA HIS A 59 4.935 10.731 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.877 7.875 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.885 9.322 2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.728 11.022 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.368 6.963 1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.238 10.555 2.135 1.00 0.00 H new ATOM 866 N ARG A 60 7.457 9.543 -0.145 1.00 0.00 N ATOM 867 CA ARG A 60 8.913 9.465 -0.130 1.00 0.00 C ATOM 868 C ARG A 60 9.505 10.535 0.782 1.00 0.00 C ATOM 869 O ARG A 60 10.473 10.285 1.499 1.00 0.00 O ATOM 870 CB ARG A 60 9.468 9.623 -1.547 1.00 0.00 C ATOM 871 CG ARG A 60 10.977 9.793 -1.594 1.00 0.00 C ATOM 872 CD ARG A 60 11.532 9.469 -2.973 1.00 0.00 C ATOM 873 NE ARG A 60 12.954 9.784 -3.078 1.00 0.00 N ATOM 874 CZ ARG A 60 13.730 9.355 -4.068 1.00 0.00 C ATOM 875 NH1 ARG A 60 13.223 8.599 -5.032 1.00 0.00 N ATOM 876 NH2 ARG A 60 15.015 9.684 -4.094 1.00 0.00 N ATOM 0 H ARG A 60 7.044 9.543 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 60 9.196 8.486 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.191 8.749 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.999 10.487 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.237 10.817 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.441 9.143 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.378 8.411 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.980 10.030 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 60 13.374 10.365 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.235 8.345 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.821 8.271 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.407 10.266 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.610 9.355 -4.854 1.00 0.00 H new ATOM 890 N GLU A 61 8.917 11.727 0.747 1.00 0.00 N ATOM 891 CA GLU A 61 9.389 12.834 1.570 1.00 0.00 C ATOM 892 C GLU A 61 9.052 12.602 3.040 1.00 0.00 C ATOM 893 O GLU A 61 9.865 12.873 3.923 1.00 0.00 O ATOM 894 CB GLU A 61 8.769 14.151 1.096 1.00 0.00 C ATOM 895 CG GLU A 61 9.308 14.630 -0.241 1.00 0.00 C ATOM 896 CD GLU A 61 10.778 14.997 -0.180 1.00 0.00 C ATOM 897 OE1 GLU A 61 11.249 15.382 0.910 1.00 0.00 O ATOM 898 OE2 GLU A 61 11.456 14.900 -1.224 1.00 0.00 O ATOM 0 H GLU A 61 8.114 11.950 0.159 1.00 0.00 H new ATOM 0 HA GLU A 61 10.473 12.892 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.689 14.028 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.950 14.919 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.163 13.849 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.734 15.496 -0.570 1.00 0.00 H new ATOM 905 N GLU A 62 7.849 12.098 3.294 1.00 0.00 N ATOM 906 CA GLU A 62 7.404 11.830 4.656 1.00 0.00 C ATOM 907 C GLU A 62 8.369 10.886 5.367 1.00 0.00 C ATOM 908 O GLU A 62 8.825 11.165 6.477 1.00 0.00 O ATOM 909 CB GLU A 62 5.997 11.229 4.649 1.00 0.00 C ATOM 910 CG GLU A 62 5.259 11.393 5.967 1.00 0.00 C ATOM 911 CD GLU A 62 5.822 10.511 7.065 1.00 0.00 C ATOM 912 OE1 GLU A 62 6.437 9.475 6.738 1.00 0.00 O ATOM 913 OE2 GLU A 62 5.647 10.859 8.252 1.00 0.00 O ATOM 0 H GLU A 62 7.165 11.867 2.574 1.00 0.00 H new ATOM 0 HA GLU A 62 7.383 12.776 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.415 11.697 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.065 10.168 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.311 12.435 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.205 11.157 5.821 1.00 0.00 H new ATOM 920 N LEU A 63 8.675 9.766 4.721 1.00 0.00 N ATOM 921 CA LEU A 63 9.586 8.778 5.291 1.00 0.00 C ATOM 922 C LEU A 63 10.958 9.390 5.553 1.00 0.00 C ATOM 923 O LEU A 63 11.410 9.457 6.695 1.00 0.00 O ATOM 924 CB LEU A 63 9.721 7.579 4.351 1.00 0.00 C ATOM 925 CG LEU A 63 8.427 6.830 4.029 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.696 5.697 3.051 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.788 6.297 5.303 1.00 0.00 C ATOM 0 H LEU A 63 8.306 9.519 3.803 1.00 0.00 H new ATOM 0 HA LEU A 63 9.171 8.442 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.160 7.924 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.425 6.874 4.793 1.00 0.00 H new ATOM 0 HG LEU A 63 7.732 7.528 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.764 5.175 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.108 6.104 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.409 4.999 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.868 5.767 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.478 5.614 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.559 7.128 5.970 1.00 0.00 H new ATOM 939 N GLU A 64 11.615 9.837 4.487 1.00 0.00 N ATOM 940 CA GLU A 64 12.935 10.445 4.603 1.00 0.00 C ATOM 941 C GLU A 64 13.020 11.329 5.844 1.00 0.00 C ATOM 942 O GLU A 64 13.974 11.243 6.618 1.00 0.00 O ATOM 943 CB GLU A 64 13.253 11.269 3.354 1.00 0.00 C ATOM 944 CG GLU A 64 13.563 10.424 2.130 1.00 0.00 C ATOM 945 CD GLU A 64 14.187 11.230 1.007 1.00 0.00 C ATOM 946 OE1 GLU A 64 13.987 12.463 0.980 1.00 0.00 O ATOM 947 OE2 GLU A 64 14.875 10.629 0.156 1.00 0.00 O ATOM 0 H GLU A 64 11.255 9.789 3.534 1.00 0.00 H new ATOM 0 HA GLU A 64 13.668 9.644 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.406 11.918 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.105 11.916 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.239 9.617 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.644 9.959 1.772 1.00 0.00 H new ATOM 954 N LYS A 65 12.015 12.179 6.027 1.00 0.00 N ATOM 955 CA LYS A 65 11.974 13.079 7.174 1.00 0.00 C ATOM 956 C LYS A 65 12.216 12.318 8.473 1.00 0.00 C ATOM 957 O LYS A 65 13.091 12.677 9.260 1.00 0.00 O ATOM 958 CB LYS A 65 10.624 13.797 7.235 1.00 0.00 C ATOM 959 CG LYS A 65 10.454 14.867 6.170 1.00 0.00 C ATOM 960 CD LYS A 65 9.018 15.358 6.096 1.00 0.00 C ATOM 961 CE LYS A 65 8.663 15.834 4.696 1.00 0.00 C ATOM 962 NZ LYS A 65 7.344 16.523 4.662 1.00 0.00 N ATOM 0 H LYS A 65 11.218 12.264 5.396 1.00 0.00 H new ATOM 0 HA LYS A 65 12.767 13.817 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.826 13.062 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.509 14.254 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.115 15.706 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.753 14.468 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.342 14.555 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.874 16.173 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.436 16.513 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.645 14.982 4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.139 16.832 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.602 15.868 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.369 17.351 5.291 1.00 0.00 H new ATOM 976 N SER A 66 11.436 11.263 8.690 1.00 0.00 N ATOM 977 CA SER A 66 11.565 10.452 9.895 1.00 0.00 C ATOM 978 C SER A 66 12.790 9.547 9.812 1.00 0.00 C ATOM 979 O SER A 66 13.566 9.619 8.860 1.00 0.00 O ATOM 980 CB SER A 66 10.306 9.608 10.104 1.00 0.00 C ATOM 981 OG SER A 66 9.340 10.312 10.865 1.00 0.00 O ATOM 0 H SER A 66 10.708 10.950 8.047 1.00 0.00 H new ATOM 0 HA SER A 66 11.688 11.124 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.883 9.335 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.567 8.679 10.612 1.00 0.00 H new ATOM 0 HG SER A 66 8.545 9.752 10.983 1.00 0.00 H new ATOM 987 N GLY A 67 12.957 8.694 10.818 1.00 0.00 N ATOM 988 CA GLY A 67 14.089 7.786 10.841 1.00 0.00 C ATOM 989 C GLY A 67 13.863 6.555 9.986 1.00 0.00 C ATOM 990 O GLY A 67 14.129 5.433 10.418 1.00 0.00 O ATOM 0 H GLY A 67 12.329 8.616 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.978 8.310 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.284 7.480 11.869 1.00 0.00 H new ATOM 994 N HIS A 68 13.368 6.763 8.770 1.00 0.00 N ATOM 995 CA HIS A 68 13.105 5.660 7.853 1.00 0.00 C ATOM 996 C HIS A 68 13.791 5.894 6.511 1.00 0.00 C ATOM 997 O HIS A 68 13.231 5.597 5.456 1.00 0.00 O ATOM 998 CB HIS A 68 11.599 5.490 7.646 1.00 0.00 C ATOM 999 CG HIS A 68 10.848 5.215 8.913 1.00 0.00 C ATOM 1000 ND1 HIS A 68 9.757 5.816 9.443 1.00 0.00 N flip ATOM 1001 CD2 HIS A 68 11.202 4.218 9.797 1.00 0.00 C flip ATOM 1002 CE1 HIS A 68 9.474 5.177 10.625 1.00 0.00 C flip ATOM 1003 NE2 HIS A 68 10.361 4.216 10.815 1.00 0.00 N flip ATOM 0 H HIS A 68 13.141 7.685 8.397 1.00 0.00 H new ATOM 0 HA HIS A 68 13.509 4.749 8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.200 6.393 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.427 4.672 6.946 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.037 3.544 9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.659 5.420 11.291 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.391 3.581 11.612 1.00 0.00 H new ATOM 1011 N GLY A 69 15.007 6.430 6.558 1.00 0.00 N ATOM 1012 CA GLY A 69 15.749 6.695 5.340 1.00 0.00 C ATOM 1013 C GLY A 69 15.757 5.509 4.396 1.00 0.00 C ATOM 1014 O GLY A 69 15.328 5.619 3.248 1.00 0.00 O ATOM 0 H GLY A 69 15.491 6.685 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.313 7.556 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.775 6.960 5.594 1.00 0.00 H new ATOM 1018 N GLN A 70 16.249 4.373 4.880 1.00 0.00 N ATOM 1019 CA GLN A 70 16.314 3.163 4.069 1.00 0.00 C ATOM 1020 C GLN A 70 15.751 1.967 4.831 1.00 0.00 C ATOM 1021 O GLN A 70 16.102 1.735 5.988 1.00 0.00 O ATOM 1022 CB GLN A 70 17.757 2.881 3.649 1.00 0.00 C ATOM 1023 CG GLN A 70 18.731 2.825 4.816 1.00 0.00 C ATOM 1024 CD GLN A 70 20.092 2.292 4.415 1.00 0.00 C ATOM 1025 OE1 GLN A 70 20.337 2.000 3.244 1.00 0.00 O ATOM 1026 NE2 GLN A 70 20.987 2.163 5.387 1.00 0.00 N ATOM 0 H GLN A 70 16.608 4.265 5.829 1.00 0.00 H new ATOM 0 HA GLN A 70 15.708 3.321 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.792 1.933 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.082 3.654 2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 70 18.846 3.824 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 70 18.315 2.194 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.741 2.417 6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 70 21.921 1.810 5.177 1.00 0.00 H new ATOM 1035 N SER A 71 14.876 1.212 4.175 1.00 0.00 N ATOM 1036 CA SER A 71 14.262 0.042 4.792 1.00 0.00 C ATOM 1037 C SER A 71 14.481 -1.202 3.936 1.00 0.00 C ATOM 1038 O SER A 71 13.579 -2.022 3.770 1.00 0.00 O ATOM 1039 CB SER A 71 12.764 0.275 4.997 1.00 0.00 C ATOM 1040 OG SER A 71 12.261 -0.533 6.047 1.00 0.00 O ATOM 0 H SER A 71 14.576 1.389 3.216 1.00 0.00 H new ATOM 0 HA SER A 71 14.735 -0.117 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.584 1.326 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.229 0.052 4.074 1.00 0.00 H new ATOM 0 HG SER A 71 11.354 -0.243 6.277 1.00 0.00 H new ATOM 1046 N GLY A 72 15.689 -1.335 3.395 1.00 0.00 N ATOM 1047 CA GLY A 72 16.006 -2.480 2.562 1.00 0.00 C ATOM 1048 C GLY A 72 17.179 -2.219 1.639 1.00 0.00 C ATOM 1049 O GLY A 72 17.084 -1.451 0.681 1.00 0.00 O ATOM 0 H GLY A 72 16.453 -0.670 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.231 -3.336 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.132 -2.746 1.967 1.00 0.00 H new ATOM 1053 N PRO A 73 18.319 -2.866 1.926 1.00 0.00 N ATOM 1054 CA PRO A 73 19.538 -2.714 1.126 1.00 0.00 C ATOM 1055 C PRO A 73 19.409 -3.350 -0.254 1.00 0.00 C ATOM 1056 O PRO A 73 19.528 -4.566 -0.400 1.00 0.00 O ATOM 1057 CB PRO A 73 20.599 -3.443 1.954 1.00 0.00 C ATOM 1058 CG PRO A 73 19.834 -4.436 2.760 1.00 0.00 C ATOM 1059 CD PRO A 73 18.505 -3.795 3.052 1.00 0.00 C ATOM 0 HA PRO A 73 19.772 -1.667 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 73 21.333 -3.933 1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 73 21.146 -2.751 2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.705 -5.369 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.361 -4.679 3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.705 -4.533 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 73 18.513 -3.271 4.008 1.00 0.00 H new ATOM 1067 N SER A 74 19.167 -2.520 -1.263 1.00 0.00 N ATOM 1068 CA SER A 74 19.019 -3.002 -2.631 1.00 0.00 C ATOM 1069 C SER A 74 19.003 -1.839 -3.619 1.00 0.00 C ATOM 1070 O SER A 74 18.068 -1.039 -3.637 1.00 0.00 O ATOM 1071 CB SER A 74 17.734 -3.821 -2.769 1.00 0.00 C ATOM 1072 OG SER A 74 17.672 -4.465 -4.030 1.00 0.00 O ATOM 0 H SER A 74 19.069 -1.510 -1.159 1.00 0.00 H new ATOM 0 HA SER A 74 19.874 -3.638 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.687 -4.566 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.869 -3.169 -2.647 1.00 0.00 H new ATOM 0 HG SER A 74 16.842 -4.983 -4.092 1.00 0.00 H new ATOM 1078 N SER A 75 20.046 -1.753 -4.438 1.00 0.00 N ATOM 1079 CA SER A 75 20.155 -0.686 -5.426 1.00 0.00 C ATOM 1080 C SER A 75 18.899 -0.614 -6.289 1.00 0.00 C ATOM 1081 O SER A 75 18.629 -1.509 -7.089 1.00 0.00 O ATOM 1082 CB SER A 75 21.383 -0.905 -6.311 1.00 0.00 C ATOM 1083 OG SER A 75 21.894 0.327 -6.790 1.00 0.00 O ATOM 0 H SER A 75 20.827 -2.409 -4.437 1.00 0.00 H new ATOM 0 HA SER A 75 20.264 0.259 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.155 -1.427 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.119 -1.544 -7.153 1.00 0.00 H new ATOM 0 HG SER A 75 22.679 0.159 -7.352 1.00 0.00 H new ATOM 1089 N GLY A 76 18.133 0.460 -6.121 1.00 0.00 N ATOM 1090 CA GLY A 76 16.914 0.630 -6.890 1.00 0.00 C ATOM 1091 C GLY A 76 16.615 2.086 -7.188 1.00 0.00 C ATOM 1092 O GLY A 76 16.616 2.470 -8.356 1.00 0.00 O ATOM 0 H GLY A 76 18.335 1.215 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.000 0.081 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.078 0.196 -6.341 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.643 6.840 1.251 1.00 0.00 ZN