USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=23 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 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 54 HIS : no HD1:sc= 0.0658 K(o=0.049,f=-0.94) USER MOD Set 1.2: A 58 MET CE :methyl 163:sc= -0.017 (180deg=-0.494) USER MOD Set 2.1: A 48 THR OG1 : rot -110:sc= 0.387 USER MOD Set 2.2: A 74 SER OG : rot -140:sc= 0.406 USER MOD Set 3.1: A 15 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-12!) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 39 SER OG : rot -144:sc= 0.122 USER MOD Set 5.1: A 23 HIS :FLIP no HD1:sc= -0.265 F(o=-0.9,f=-0.27) USER MOD Set 5.2: A 27 GLN :FLIP amide:sc= 0 X(o=-0.28,f=-0.27) USER MOD Set 6.1: A 13 TYR OH : rot 165:sc= 0 USER MOD Set 6.2: A 66 SER OG : rot 180:sc= 0 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 180:sc= 0 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 12:sc= 0.715 USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.667 F(o=-1.3,f=-0.67) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 37 GLN : amide:sc= -1.3! C(o=-1.3!,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 98:sc= 0.178 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0304) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00469) USER MOD Single : A 68 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.28) USER MOD Single : A 70 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.38) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -56:sc= 0.0712 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.102 -6.063 12.894 1.00 0.00 N ATOM 2 CA GLY A 1 0.930 -6.250 14.071 1.00 0.00 C ATOM 3 C GLY A 1 1.160 -7.713 14.392 1.00 0.00 C ATOM 4 O GLY A 1 0.360 -8.336 15.090 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.025 -5.046 12.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.563 -6.502 12.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.826 -6.506 13.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.891 -5.760 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.458 -5.764 14.925 1.00 0.00 H new ATOM 8 N SER A 2 2.256 -8.265 13.881 1.00 0.00 N ATOM 9 CA SER A 2 2.586 -9.666 14.112 1.00 0.00 C ATOM 10 C SER A 2 3.725 -9.797 15.119 1.00 0.00 C ATOM 11 O SER A 2 4.616 -8.950 15.179 1.00 0.00 O ATOM 12 CB SER A 2 2.974 -10.345 12.797 1.00 0.00 C ATOM 13 OG SER A 2 1.833 -10.583 11.990 1.00 0.00 O ATOM 0 H SER A 2 2.931 -7.763 13.304 1.00 0.00 H new ATOM 0 HA SER A 2 1.703 -10.158 14.520 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.682 -9.718 12.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.479 -11.288 13.006 1.00 0.00 H new ATOM 0 HG SER A 2 2.108 -11.016 11.155 1.00 0.00 H new ATOM 19 N SER A 3 3.687 -10.865 15.910 1.00 0.00 N ATOM 20 CA SER A 3 4.713 -11.106 16.918 1.00 0.00 C ATOM 21 C SER A 3 6.053 -11.425 16.264 1.00 0.00 C ATOM 22 O SER A 3 6.431 -12.589 16.131 1.00 0.00 O ATOM 23 CB SER A 3 4.294 -12.255 17.837 1.00 0.00 C ATOM 24 OG SER A 3 4.842 -12.097 19.134 1.00 0.00 O ATOM 0 H SER A 3 2.957 -11.577 15.872 1.00 0.00 H new ATOM 0 HA SER A 3 4.826 -10.198 17.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.207 -12.296 17.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.624 -13.203 17.412 1.00 0.00 H new ATOM 0 HG SER A 3 4.558 -12.843 19.702 1.00 0.00 H new ATOM 30 N GLY A 4 6.770 -10.382 15.856 1.00 0.00 N ATOM 31 CA GLY A 4 8.060 -10.571 15.221 1.00 0.00 C ATOM 32 C GLY A 4 8.862 -9.286 15.143 1.00 0.00 C ATOM 33 O GLY A 4 8.304 -8.192 15.225 1.00 0.00 O ATOM 0 H GLY A 4 6.480 -9.409 15.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.629 -11.317 15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.912 -10.965 14.216 1.00 0.00 H new ATOM 37 N SER A 5 10.175 -9.419 14.987 1.00 0.00 N ATOM 38 CA SER A 5 11.056 -8.260 14.904 1.00 0.00 C ATOM 39 C SER A 5 11.607 -8.096 13.491 1.00 0.00 C ATOM 40 O SER A 5 12.710 -8.550 13.186 1.00 0.00 O ATOM 41 CB SER A 5 12.209 -8.397 15.900 1.00 0.00 C ATOM 42 OG SER A 5 13.105 -7.303 15.797 1.00 0.00 O ATOM 0 H SER A 5 10.652 -10.318 14.916 1.00 0.00 H new ATOM 0 HA SER A 5 10.473 -7.373 15.153 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.813 -8.453 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.744 -9.328 15.715 1.00 0.00 H new ATOM 0 HG SER A 5 13.832 -7.413 16.445 1.00 0.00 H new ATOM 48 N SER A 6 10.831 -7.443 12.632 1.00 0.00 N ATOM 49 CA SER A 6 11.238 -7.222 11.249 1.00 0.00 C ATOM 50 C SER A 6 10.411 -6.110 10.611 1.00 0.00 C ATOM 51 O SER A 6 9.208 -6.259 10.398 1.00 0.00 O ATOM 52 CB SER A 6 11.091 -8.511 10.439 1.00 0.00 C ATOM 53 OG SER A 6 11.235 -8.261 9.052 1.00 0.00 O ATOM 0 H SER A 6 9.917 -7.058 12.869 1.00 0.00 H new ATOM 0 HA SER A 6 12.285 -6.919 11.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.840 -9.234 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.115 -8.956 10.632 1.00 0.00 H new ATOM 0 HG SER A 6 11.138 -9.101 8.556 1.00 0.00 H new ATOM 59 N GLY A 7 11.066 -4.993 10.307 1.00 0.00 N ATOM 60 CA GLY A 7 10.377 -3.872 9.696 1.00 0.00 C ATOM 61 C GLY A 7 8.952 -3.727 10.192 1.00 0.00 C ATOM 62 O GLY A 7 8.716 -3.195 11.277 1.00 0.00 O ATOM 0 H GLY A 7 12.061 -4.845 10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.926 -2.954 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.370 -4.000 8.614 1.00 0.00 H new ATOM 66 N SER A 8 7.999 -4.199 9.395 1.00 0.00 N ATOM 67 CA SER A 8 6.589 -4.115 9.757 1.00 0.00 C ATOM 68 C SER A 8 6.261 -2.748 10.350 1.00 0.00 C ATOM 69 O SER A 8 5.334 -2.612 11.148 1.00 0.00 O ATOM 70 CB SER A 8 6.230 -5.216 10.757 1.00 0.00 C ATOM 71 OG SER A 8 6.951 -5.062 11.966 1.00 0.00 O ATOM 0 H SER A 8 8.178 -4.643 8.494 1.00 0.00 H new ATOM 0 HA SER A 8 5.999 -4.251 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.160 -5.190 10.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.447 -6.192 10.322 1.00 0.00 H new ATOM 0 HG SER A 8 7.378 -4.180 11.982 1.00 0.00 H new ATOM 77 N GLU A 9 7.029 -1.738 9.953 1.00 0.00 N ATOM 78 CA GLU A 9 6.821 -0.381 10.445 1.00 0.00 C ATOM 79 C GLU A 9 5.870 0.389 9.533 1.00 0.00 C ATOM 80 O GLU A 9 5.080 1.211 9.995 1.00 0.00 O ATOM 81 CB GLU A 9 8.157 0.358 10.550 1.00 0.00 C ATOM 82 CG GLU A 9 8.186 1.411 11.644 1.00 0.00 C ATOM 83 CD GLU A 9 9.592 1.719 12.120 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.484 0.867 11.924 1.00 0.00 O ATOM 85 OE2 GLU A 9 9.800 2.811 12.689 1.00 0.00 O ATOM 0 H GLU A 9 7.800 -1.834 9.292 1.00 0.00 H new ATOM 0 HA GLU A 9 6.372 -0.446 11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.950 -0.367 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.376 0.834 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.723 2.326 11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.587 1.069 12.488 1.00 0.00 H new ATOM 92 N ALA A 10 5.955 0.117 8.235 1.00 0.00 N ATOM 93 CA ALA A 10 5.103 0.783 7.258 1.00 0.00 C ATOM 94 C ALA A 10 3.640 0.740 7.685 1.00 0.00 C ATOM 95 O ALA A 10 2.862 1.636 7.360 1.00 0.00 O ATOM 96 CB ALA A 10 5.273 0.144 5.887 1.00 0.00 C ATOM 0 H ALA A 10 6.605 -0.560 7.836 1.00 0.00 H new ATOM 0 HA ALA A 10 5.407 1.828 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.631 0.651 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.313 0.232 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.998 -0.909 5.940 1.00 0.00 H new ATOM 102 N TRP A 11 3.273 -0.307 8.415 1.00 0.00 N ATOM 103 CA TRP A 11 1.902 -0.467 8.886 1.00 0.00 C ATOM 104 C TRP A 11 1.430 0.782 9.623 1.00 0.00 C ATOM 105 O TRP A 11 0.244 1.107 9.614 1.00 0.00 O ATOM 106 CB TRP A 11 1.795 -1.686 9.804 1.00 0.00 C ATOM 107 CG TRP A 11 1.514 -2.961 9.068 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.300 -4.077 9.033 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.368 -3.249 8.261 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.711 -5.042 8.252 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.524 -4.559 7.767 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.777 -2.529 7.907 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.420 -5.161 6.939 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.713 -3.127 7.086 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.531 -4.433 6.610 1.00 0.00 C ATOM 0 H TRP A 11 3.905 -1.057 8.694 1.00 0.00 H new ATOM 0 HA TRP A 11 1.261 -0.618 8.017 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.725 -1.794 10.362 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.004 -1.514 10.534 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.245 -4.185 9.544 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.095 -5.968 8.064 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.927 -1.523 8.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.280 -6.166 6.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.600 -2.579 6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.282 -4.873 5.971 1.00 0.00 H new ATOM 126 N GLU A 12 2.367 1.478 10.259 1.00 0.00 N ATOM 127 CA GLU A 12 2.045 2.692 11.000 1.00 0.00 C ATOM 128 C GLU A 12 1.359 3.714 10.099 1.00 0.00 C ATOM 129 O GLU A 12 0.664 4.611 10.577 1.00 0.00 O ATOM 130 CB GLU A 12 3.314 3.299 11.604 1.00 0.00 C ATOM 131 CG GLU A 12 4.018 2.381 12.589 1.00 0.00 C ATOM 132 CD GLU A 12 5.336 2.951 13.077 1.00 0.00 C ATOM 133 OE1 GLU A 12 5.577 4.157 12.860 1.00 0.00 O ATOM 134 OE2 GLU A 12 6.126 2.191 13.676 1.00 0.00 O ATOM 0 H GLU A 12 3.354 1.222 10.276 1.00 0.00 H new ATOM 0 HA GLU A 12 1.360 2.425 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.004 3.552 10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.057 4.230 12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.365 2.202 13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.197 1.415 12.116 1.00 0.00 H new ATOM 141 N TYR A 13 1.558 3.571 8.794 1.00 0.00 N ATOM 142 CA TYR A 13 0.961 4.483 7.825 1.00 0.00 C ATOM 143 C TYR A 13 -0.232 3.834 7.130 1.00 0.00 C ATOM 144 O TYR A 13 -0.666 4.283 6.068 1.00 0.00 O ATOM 145 CB TYR A 13 2.000 4.910 6.787 1.00 0.00 C ATOM 146 CG TYR A 13 3.291 5.412 7.394 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.268 4.525 7.829 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.534 6.773 7.531 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.449 4.980 8.385 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.712 7.237 8.084 1.00 0.00 C ATOM 151 CZ TYR A 13 5.666 6.336 8.510 1.00 0.00 C ATOM 152 OH TYR A 13 6.841 6.793 9.062 1.00 0.00 O ATOM 0 H TYR A 13 2.128 2.832 8.382 1.00 0.00 H new ATOM 0 HA TYR A 13 0.611 5.365 8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.219 4.064 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.574 5.693 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.102 3.462 7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.789 7.481 7.199 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.198 4.277 8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.885 8.299 8.182 1.00 0.00 H new ATOM 0 HH TYR A 13 6.947 7.747 8.863 1.00 0.00 H new ATOM 162 N PHE A 14 -0.758 2.775 7.736 1.00 0.00 N ATOM 163 CA PHE A 14 -1.901 2.063 7.176 1.00 0.00 C ATOM 164 C PHE A 14 -2.735 1.420 8.281 1.00 0.00 C ATOM 165 O PHE A 14 -2.239 1.161 9.378 1.00 0.00 O ATOM 166 CB PHE A 14 -1.428 0.993 6.190 1.00 0.00 C ATOM 167 CG PHE A 14 -0.701 1.553 5.001 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.606 1.996 5.117 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.326 1.636 3.767 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.278 2.512 4.025 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.659 2.151 2.671 1.00 0.00 C ATOM 172 CZ PHE A 14 0.644 2.590 2.800 1.00 0.00 C ATOM 0 H PHE A 14 -0.411 2.391 8.615 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.524 2.784 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.773 0.295 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.290 0.423 5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.106 1.938 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.345 1.295 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.297 2.854 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.157 2.210 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.166 2.993 1.945 1.00 0.00 H new ATOM 182 N HIS A 15 -4.005 1.166 7.983 1.00 0.00 N ATOM 183 CA HIS A 15 -4.909 0.554 8.949 1.00 0.00 C ATOM 184 C HIS A 15 -5.774 -0.514 8.285 1.00 0.00 C ATOM 185 O HIS A 15 -6.389 -0.270 7.245 1.00 0.00 O ATOM 186 CB HIS A 15 -5.798 1.618 9.594 1.00 0.00 C ATOM 187 CG HIS A 15 -7.112 1.802 8.898 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.045 0.795 8.773 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.647 2.887 8.290 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.097 1.251 8.116 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.880 2.518 7.812 1.00 0.00 N ATOM 0 H HIS A 15 -4.431 1.375 7.080 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.305 0.078 9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.982 1.345 10.633 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.265 2.569 9.603 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -7.940 -0.154 9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.189 3.861 8.198 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.983 0.685 7.870 1.00 0.00 H new ATOM 199 N LEU A 16 -5.815 -1.696 8.889 1.00 0.00 N ATOM 200 CA LEU A 16 -6.604 -2.801 8.356 1.00 0.00 C ATOM 201 C LEU A 16 -8.096 -2.542 8.535 1.00 0.00 C ATOM 202 O LEU A 16 -8.515 -1.922 9.513 1.00 0.00 O ATOM 203 CB LEU A 16 -6.215 -4.110 9.045 1.00 0.00 C ATOM 204 CG LEU A 16 -4.902 -4.745 8.587 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.562 -5.950 9.451 1.00 0.00 C ATOM 206 CD2 LEU A 16 -4.985 -5.145 7.121 1.00 0.00 C ATOM 0 H LEU A 16 -5.311 -1.914 9.749 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.395 -2.883 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.152 -3.928 10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.018 -4.831 8.890 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.107 -4.008 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.624 -6.389 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.459 -5.636 10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.359 -6.690 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.041 -5.595 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.792 -5.865 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.181 -4.262 6.513 1.00 0.00 H new ATOM 218 N ALA A 17 -8.893 -3.022 7.587 1.00 0.00 N ATOM 219 CA ALA A 17 -10.339 -2.846 7.643 1.00 0.00 C ATOM 220 C ALA A 17 -11.009 -4.024 8.342 1.00 0.00 C ATOM 221 O ALA A 17 -10.479 -5.135 8.384 1.00 0.00 O ATOM 222 CB ALA A 17 -10.904 -2.671 6.241 1.00 0.00 C ATOM 0 H ALA A 17 -8.562 -3.536 6.771 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.548 -1.947 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.985 -2.541 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.457 -1.793 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.676 -3.554 5.644 1.00 0.00 H new ATOM 228 N PRO A 18 -12.201 -3.779 8.905 1.00 0.00 N ATOM 229 CA PRO A 18 -12.969 -4.808 9.613 1.00 0.00 C ATOM 230 C PRO A 18 -13.523 -5.870 8.669 1.00 0.00 C ATOM 231 O PRO A 18 -13.957 -5.562 7.560 1.00 0.00 O ATOM 232 CB PRO A 18 -14.110 -4.018 10.258 1.00 0.00 C ATOM 233 CG PRO A 18 -14.269 -2.812 9.399 1.00 0.00 C ATOM 234 CD PRO A 18 -12.892 -2.479 8.893 1.00 0.00 C ATOM 0 HA PRO A 18 -12.355 -5.356 10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.028 -4.604 10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.870 -3.743 11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.951 -3.009 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.688 -1.981 9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.925 -2.050 7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.393 -1.753 9.534 1.00 0.00 H new ATOM 242 N ALA A 19 -13.505 -7.121 9.118 1.00 0.00 N ATOM 243 CA ALA A 19 -14.008 -8.228 8.314 1.00 0.00 C ATOM 244 C ALA A 19 -15.528 -8.175 8.197 1.00 0.00 C ATOM 245 O ALA A 19 -16.242 -8.344 9.185 1.00 0.00 O ATOM 246 CB ALA A 19 -13.569 -9.556 8.912 1.00 0.00 C ATOM 0 H ALA A 19 -13.148 -7.393 10.034 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.589 -8.137 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.952 -10.374 8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.480 -9.601 8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.960 -9.646 9.925 1.00 0.00 H new ATOM 252 N ARG A 20 -16.015 -7.938 6.983 1.00 0.00 N ATOM 253 CA ARG A 20 -17.450 -7.861 6.738 1.00 0.00 C ATOM 254 C ARG A 20 -17.930 -9.067 5.936 1.00 0.00 C ATOM 255 O ARG A 20 -18.921 -9.706 6.290 1.00 0.00 O ATOM 256 CB ARG A 20 -17.793 -6.570 5.992 1.00 0.00 C ATOM 257 CG ARG A 20 -17.600 -5.315 6.827 1.00 0.00 C ATOM 258 CD ARG A 20 -18.736 -5.127 7.821 1.00 0.00 C ATOM 259 NE ARG A 20 -18.540 -5.920 9.032 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.532 -6.306 9.826 1.00 0.00 C ATOM 261 NH1 ARG A 20 -20.783 -5.976 9.537 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.274 -7.026 10.910 1.00 0.00 N ATOM 0 H ARG A 20 -15.437 -7.796 6.155 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.958 -7.862 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.173 -6.501 5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.829 -6.618 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.653 -5.375 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.541 -4.446 6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.815 -4.073 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.679 -5.409 7.352 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.589 -6.192 9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.985 -5.424 8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.543 -6.274 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.313 -7.284 11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.037 -7.322 11.519 1.00 0.00 H new ATOM 276 N ALA A 21 -17.221 -9.372 4.854 1.00 0.00 N ATOM 277 CA ALA A 21 -17.574 -10.502 4.003 1.00 0.00 C ATOM 278 C ALA A 21 -16.982 -11.800 4.541 1.00 0.00 C ATOM 279 O ALA A 21 -16.543 -12.657 3.776 1.00 0.00 O ATOM 280 CB ALA A 21 -17.102 -10.256 2.577 1.00 0.00 C ATOM 0 H ALA A 21 -16.399 -8.853 4.546 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.660 -10.601 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.372 -11.107 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.576 -9.355 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.019 -10.129 2.569 1.00 0.00 H new ATOM 286 N GLY A 22 -16.975 -11.938 5.863 1.00 0.00 N ATOM 287 CA GLY A 22 -16.434 -13.135 6.481 1.00 0.00 C ATOM 288 C GLY A 22 -14.919 -13.167 6.456 1.00 0.00 C ATOM 289 O GLY A 22 -14.273 -13.171 7.504 1.00 0.00 O ATOM 0 H GLY A 22 -17.334 -11.243 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.778 -13.194 7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.821 -14.013 5.965 1.00 0.00 H new ATOM 293 N HIS A 23 -14.349 -13.191 5.255 1.00 0.00 N ATOM 294 CA HIS A 23 -12.899 -13.224 5.097 1.00 0.00 C ATOM 295 C HIS A 23 -12.216 -12.395 6.181 1.00 0.00 C ATOM 296 O HIS A 23 -12.658 -11.293 6.505 1.00 0.00 O ATOM 297 CB HIS A 23 -12.504 -12.704 3.715 1.00 0.00 C ATOM 298 CG HIS A 23 -13.348 -13.250 2.605 1.00 0.00 C ATOM 299 ND1 HIS A 23 -14.027 -14.416 2.501 1.00 0.00 N flip ATOM 300 CD2 HIS A 23 -13.567 -12.573 1.424 1.00 0.00 C flip ATOM 301 CE1 HIS A 23 -14.639 -14.422 1.272 1.00 0.00 C flip ATOM 302 NE2 HIS A 23 -14.346 -13.299 0.642 1.00 0.00 N flip ATOM 0 H HIS A 23 -14.869 -13.188 4.377 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.570 -14.259 5.195 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.574 -11.616 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.461 -12.957 3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.165 -11.602 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.259 -15.216 0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.667 -13.037 -0.290 1.00 0.00 H new ATOM 310 N HIS A 24 -11.136 -12.934 6.738 1.00 0.00 N ATOM 311 CA HIS A 24 -10.391 -12.244 7.785 1.00 0.00 C ATOM 312 C HIS A 24 -10.265 -10.756 7.472 1.00 0.00 C ATOM 313 O HIS A 24 -10.309 -10.334 6.317 1.00 0.00 O ATOM 314 CB HIS A 24 -9.002 -12.862 7.945 1.00 0.00 C ATOM 315 CG HIS A 24 -8.254 -12.997 6.655 1.00 0.00 C ATOM 316 ND1 HIS A 24 -8.658 -12.820 5.375 1.00 0.00 N flip ATOM 317 CD2 HIS A 24 -6.924 -13.355 6.590 1.00 0.00 C flip ATOM 318 CE1 HIS A 24 -7.575 -13.071 4.568 1.00 0.00 C flip ATOM 319 NE2 HIS A 24 -6.542 -13.391 5.326 1.00 0.00 N flip ATOM 0 H HIS A 24 -10.757 -13.846 6.482 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.940 -12.356 8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.418 -12.249 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.102 -13.846 8.402 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.293 -13.572 7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.569 -13.016 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.607 -13.626 4.992 1.00 0.00 H new ATOM 327 N PRO A 25 -10.106 -9.940 8.525 1.00 0.00 N ATOM 328 CA PRO A 25 -9.971 -8.487 8.388 1.00 0.00 C ATOM 329 C PRO A 25 -8.644 -8.086 7.752 1.00 0.00 C ATOM 330 O PRO A 25 -8.388 -6.905 7.520 1.00 0.00 O ATOM 331 CB PRO A 25 -10.045 -7.986 9.832 1.00 0.00 C ATOM 332 CG PRO A 25 -9.588 -9.139 10.657 1.00 0.00 C ATOM 333 CD PRO A 25 -10.045 -10.374 9.931 1.00 0.00 C ATOM 0 HA PRO A 25 -10.737 -8.066 7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.407 -7.115 9.982 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.060 -7.688 10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.504 -9.132 10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.014 -9.095 11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.348 -11.201 10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.017 -10.714 10.289 1.00 0.00 H new ATOM 341 N ASN A 26 -7.804 -9.077 7.472 1.00 0.00 N ATOM 342 CA ASN A 26 -6.503 -8.826 6.862 1.00 0.00 C ATOM 343 C ASN A 26 -6.605 -8.831 5.340 1.00 0.00 C ATOM 344 O ASN A 26 -5.750 -9.389 4.653 1.00 0.00 O ATOM 345 CB ASN A 26 -5.491 -9.879 7.319 1.00 0.00 C ATOM 346 CG ASN A 26 -5.020 -9.648 8.742 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.995 -9.007 8.972 1.00 0.00 O ATOM 348 ND2 ASN A 26 -5.770 -10.171 9.706 1.00 0.00 N ATOM 0 H ASN A 26 -8.000 -10.061 7.658 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.164 -7.841 7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.942 -10.869 7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.632 -9.869 6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.504 -10.048 10.683 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.612 -10.695 9.469 1.00 0.00 H new ATOM 355 N GLN A 27 -7.657 -8.205 4.821 1.00 0.00 N ATOM 356 CA GLN A 27 -7.871 -8.138 3.380 1.00 0.00 C ATOM 357 C GLN A 27 -7.012 -7.044 2.753 1.00 0.00 C ATOM 358 O GLN A 27 -6.006 -7.328 2.102 1.00 0.00 O ATOM 359 CB GLN A 27 -9.347 -7.882 3.074 1.00 0.00 C ATOM 360 CG GLN A 27 -9.667 -7.869 1.588 1.00 0.00 C ATOM 361 CD GLN A 27 -11.079 -8.336 1.291 1.00 0.00 C ATOM 362 OE1 GLN A 27 -11.217 -9.603 0.917 1.00 0.00 O flip ATOM 363 NE2 GLN A 27 -12.035 -7.567 1.397 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.374 -7.738 5.376 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.579 -9.096 2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.949 -8.650 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.639 -6.926 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.533 -6.859 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.959 -8.509 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.883 -6.601 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.979 -7.896 1.194 1.00 0.00 H new ATOM 372 N TYR A 28 -7.416 -5.795 2.953 1.00 0.00 N ATOM 373 CA TYR A 28 -6.685 -4.658 2.405 1.00 0.00 C ATOM 374 C TYR A 28 -6.171 -3.752 3.519 1.00 0.00 C ATOM 375 O TYR A 28 -6.481 -3.955 4.693 1.00 0.00 O ATOM 376 CB TYR A 28 -7.580 -3.860 1.455 1.00 0.00 C ATOM 377 CG TYR A 28 -7.566 -4.375 0.034 1.00 0.00 C ATOM 378 CD1 TYR A 28 -7.637 -5.736 -0.234 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.482 -3.500 -1.042 1.00 0.00 C ATOM 380 CE1 TYR A 28 -7.624 -6.211 -1.531 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.469 -3.965 -2.343 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.540 -5.322 -2.582 1.00 0.00 C ATOM 383 OH TYR A 28 -7.528 -5.791 -3.876 1.00 0.00 O ATOM 0 H TYR A 28 -8.246 -5.544 3.490 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.829 -5.042 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.603 -3.881 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.261 -2.818 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.704 -6.435 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.426 -2.437 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.679 -7.273 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.404 -3.271 -3.168 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.466 -5.036 -4.497 1.00 0.00 H new ATOM 393 N ALA A 29 -5.383 -2.751 3.142 1.00 0.00 N ATOM 394 CA ALA A 29 -4.827 -1.811 4.108 1.00 0.00 C ATOM 395 C ALA A 29 -5.106 -0.370 3.695 1.00 0.00 C ATOM 396 O ALA A 29 -4.757 0.050 2.591 1.00 0.00 O ATOM 397 CB ALA A 29 -3.330 -2.037 4.263 1.00 0.00 C ATOM 0 H ALA A 29 -5.115 -2.570 2.175 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.311 -1.986 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.928 -1.328 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.150 -3.054 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.838 -1.891 3.301 1.00 0.00 H new ATOM 403 N THR A 30 -5.738 0.385 4.588 1.00 0.00 N ATOM 404 CA THR A 30 -6.066 1.779 4.315 1.00 0.00 C ATOM 405 C THR A 30 -4.928 2.703 4.734 1.00 0.00 C ATOM 406 O THR A 30 -4.571 2.772 5.910 1.00 0.00 O ATOM 407 CB THR A 30 -7.354 2.206 5.044 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.414 1.291 4.744 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.763 3.614 4.640 1.00 0.00 C ATOM 0 H THR A 30 -6.033 0.054 5.507 1.00 0.00 H new ATOM 0 HA THR A 30 -6.222 1.863 3.239 1.00 0.00 H new ATOM 0 HB THR A 30 -7.158 2.195 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.228 1.569 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.675 3.893 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.966 4.312 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.941 3.647 3.565 1.00 0.00 H new ATOM 417 N CYS A 31 -4.362 3.414 3.764 1.00 0.00 N ATOM 418 CA CYS A 31 -3.264 4.335 4.031 1.00 0.00 C ATOM 419 C CYS A 31 -3.722 5.480 4.930 1.00 0.00 C ATOM 420 O CYS A 31 -4.623 6.240 4.575 1.00 0.00 O ATOM 421 CB CYS A 31 -2.708 4.893 2.720 1.00 0.00 C ATOM 422 SG CYS A 31 -1.030 5.588 2.859 1.00 0.00 S ATOM 0 H CYS A 31 -4.646 3.370 2.785 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.477 3.784 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.700 4.098 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.381 5.668 2.353 1.00 0.00 H new ATOM 427 N ARG A 32 -3.094 5.597 6.096 1.00 0.00 N ATOM 428 CA ARG A 32 -3.437 6.648 7.046 1.00 0.00 C ATOM 429 C ARG A 32 -2.776 7.968 6.659 1.00 0.00 C ATOM 430 O ARG A 32 -2.941 8.980 7.340 1.00 0.00 O ATOM 431 CB ARG A 32 -3.009 6.247 8.459 1.00 0.00 C ATOM 432 CG ARG A 32 -3.564 4.904 8.905 1.00 0.00 C ATOM 433 CD ARG A 32 -2.843 4.386 10.140 1.00 0.00 C ATOM 434 NE ARG A 32 -2.914 5.330 11.252 1.00 0.00 N ATOM 435 CZ ARG A 32 -2.543 5.035 12.493 1.00 0.00 C ATOM 436 NH1 ARG A 32 -2.075 3.827 12.778 1.00 0.00 N ATOM 437 NH2 ARG A 32 -2.637 5.948 13.450 1.00 0.00 N ATOM 0 H ARG A 32 -2.345 4.977 6.405 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.518 6.783 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.920 6.214 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.334 7.016 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.629 5.002 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.466 4.181 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.281 3.435 10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.799 4.192 9.895 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.268 6.268 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.000 3.123 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.791 3.602 13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.995 6.878 13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.352 5.720 14.402 1.00 0.00 H new ATOM 451 N LEU A 33 -2.028 7.949 5.561 1.00 0.00 N ATOM 452 CA LEU A 33 -1.342 9.144 5.082 1.00 0.00 C ATOM 453 C LEU A 33 -2.207 9.905 4.082 1.00 0.00 C ATOM 454 O LEU A 33 -2.420 11.110 4.219 1.00 0.00 O ATOM 455 CB LEU A 33 -0.008 8.766 4.437 1.00 0.00 C ATOM 456 CG LEU A 33 1.141 8.462 5.399 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.424 8.192 4.629 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.335 9.611 6.377 1.00 0.00 C ATOM 0 H LEU A 33 -1.881 7.119 4.986 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.154 9.792 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.167 7.892 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.300 9.581 3.782 1.00 0.00 H new ATOM 0 HG LEU A 33 0.888 7.567 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.231 7.978 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.279 7.336 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.683 9.068 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.157 9.378 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.567 10.523 5.826 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.421 9.757 6.953 1.00 0.00 H new ATOM 470 N CYS A 34 -2.705 9.192 3.077 1.00 0.00 N ATOM 471 CA CYS A 34 -3.548 9.798 2.054 1.00 0.00 C ATOM 472 C CYS A 34 -4.968 9.242 2.119 1.00 0.00 C ATOM 473 O CYS A 34 -5.940 9.967 1.916 1.00 0.00 O ATOM 474 CB CYS A 34 -2.956 9.554 0.664 1.00 0.00 C ATOM 475 SG CYS A 34 -2.798 7.794 0.223 1.00 0.00 S ATOM 0 H CYS A 34 -2.539 8.194 2.950 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.588 10.871 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.582 10.049 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.972 10.020 0.613 1.00 0.00 H new ATOM 480 N GLY A 35 -5.077 7.948 2.403 1.00 0.00 N ATOM 481 CA GLY A 35 -6.381 7.315 2.491 1.00 0.00 C ATOM 482 C GLY A 35 -6.654 6.388 1.323 1.00 0.00 C ATOM 483 O GLY A 35 -7.809 6.159 0.961 1.00 0.00 O ATOM 0 H GLY A 35 -4.286 7.327 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.446 6.751 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.153 8.084 2.529 1.00 0.00 H new ATOM 487 N ARG A 36 -5.591 5.855 0.731 1.00 0.00 N ATOM 488 CA ARG A 36 -5.722 4.950 -0.405 1.00 0.00 C ATOM 489 C ARG A 36 -5.622 3.495 0.045 1.00 0.00 C ATOM 490 O ARG A 36 -4.849 3.166 0.944 1.00 0.00 O ATOM 491 CB ARG A 36 -4.644 5.248 -1.449 1.00 0.00 C ATOM 492 CG ARG A 36 -5.070 6.269 -2.490 1.00 0.00 C ATOM 493 CD ARG A 36 -4.111 6.295 -3.670 1.00 0.00 C ATOM 494 NE ARG A 36 -4.264 7.505 -4.473 1.00 0.00 N ATOM 495 CZ ARG A 36 -5.246 7.687 -5.349 1.00 0.00 C ATOM 496 NH1 ARG A 36 -6.157 6.742 -5.533 1.00 0.00 N ATOM 497 NH2 ARG A 36 -5.317 8.816 -6.042 1.00 0.00 N ATOM 0 H ARG A 36 -4.629 6.034 1.019 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.704 5.107 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.750 5.610 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.372 4.320 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.075 6.034 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.115 7.258 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.086 6.229 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.283 5.420 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.579 8.252 -4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.105 5.873 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.910 6.884 -6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.617 9.545 -5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.071 8.955 -6.714 1.00 0.00 H new ATOM 511 N GLN A 37 -6.410 2.631 -0.586 1.00 0.00 N ATOM 512 CA GLN A 37 -6.411 1.212 -0.250 1.00 0.00 C ATOM 513 C GLN A 37 -5.253 0.490 -0.933 1.00 0.00 C ATOM 514 O GLN A 37 -5.074 0.592 -2.146 1.00 0.00 O ATOM 515 CB GLN A 37 -7.738 0.570 -0.656 1.00 0.00 C ATOM 516 CG GLN A 37 -8.955 1.267 -0.069 1.00 0.00 C ATOM 517 CD GLN A 37 -9.098 2.697 -0.549 1.00 0.00 C ATOM 518 OE1 GLN A 37 -8.771 3.016 -1.693 1.00 0.00 O ATOM 519 NE2 GLN A 37 -9.589 3.569 0.324 1.00 0.00 N ATOM 0 H GLN A 37 -7.056 2.888 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.287 1.120 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.816 0.574 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.739 -0.473 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.852 0.708 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.884 1.259 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.847 3.262 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.708 4.546 0.057 1.00 0.00 H new ATOM 528 N VAL A 38 -4.470 -0.240 -0.145 1.00 0.00 N ATOM 529 CA VAL A 38 -3.331 -0.980 -0.673 1.00 0.00 C ATOM 530 C VAL A 38 -3.292 -2.399 -0.118 1.00 0.00 C ATOM 531 O VAL A 38 -3.051 -2.605 1.071 1.00 0.00 O ATOM 532 CB VAL A 38 -2.002 -0.275 -0.343 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.825 -1.070 -0.888 1.00 0.00 C ATOM 534 CG2 VAL A 38 -2.000 1.143 -0.895 1.00 0.00 C ATOM 0 H VAL A 38 -4.604 -0.334 0.862 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.454 -1.020 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.900 -0.219 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.105 -0.556 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.818 -2.064 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.917 -1.161 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.054 1.626 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.125 1.112 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.820 1.707 -0.451 1.00 0.00 H new ATOM 544 N SER A 39 -3.530 -3.376 -0.988 1.00 0.00 N ATOM 545 CA SER A 39 -3.525 -4.777 -0.585 1.00 0.00 C ATOM 546 C SER A 39 -2.167 -5.416 -0.857 1.00 0.00 C ATOM 547 O SER A 39 -1.480 -5.058 -1.814 1.00 0.00 O ATOM 548 CB SER A 39 -4.621 -5.546 -1.326 1.00 0.00 C ATOM 549 OG SER A 39 -4.274 -5.745 -2.685 1.00 0.00 O ATOM 0 H SER A 39 -3.729 -3.222 -1.977 1.00 0.00 H new ATOM 0 HA SER A 39 -3.720 -4.822 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.783 -6.510 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.561 -4.997 -1.264 1.00 0.00 H new ATOM 0 HG SER A 39 -5.080 -5.692 -3.240 1.00 0.00 H new ATOM 555 N ARG A 40 -1.785 -6.364 -0.006 1.00 0.00 N ATOM 556 CA ARG A 40 -0.509 -7.053 -0.153 1.00 0.00 C ATOM 557 C ARG A 40 -0.674 -8.338 -0.958 1.00 0.00 C ATOM 558 O ARG A 40 0.008 -8.547 -1.960 1.00 0.00 O ATOM 559 CB ARG A 40 0.084 -7.371 1.221 1.00 0.00 C ATOM 560 CG ARG A 40 0.228 -6.153 2.119 1.00 0.00 C ATOM 561 CD ARG A 40 0.173 -6.536 3.590 1.00 0.00 C ATOM 562 NE ARG A 40 -0.997 -7.353 3.899 1.00 0.00 N ATOM 563 CZ ARG A 40 -2.238 -6.879 3.930 1.00 0.00 C ATOM 564 NH1 ARG A 40 -2.469 -5.599 3.671 1.00 0.00 N ATOM 565 NH2 ARG A 40 -3.251 -7.686 4.219 1.00 0.00 N ATOM 0 H ARG A 40 -2.341 -6.672 0.792 1.00 0.00 H new ATOM 0 HA ARG A 40 0.172 -6.393 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.548 -8.106 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.063 -7.831 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.173 -5.653 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.566 -5.440 1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.078 -7.083 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.156 -5.632 4.199 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.854 -8.342 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.693 -4.976 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.423 -5.238 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.077 -8.671 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.203 -7.321 4.243 1.00 0.00 H new ATOM 579 N GLY A 41 -1.585 -9.198 -0.510 1.00 0.00 N ATOM 580 CA GLY A 41 -1.823 -10.452 -1.200 1.00 0.00 C ATOM 581 C GLY A 41 -2.124 -11.591 -0.245 1.00 0.00 C ATOM 582 O GLY A 41 -2.148 -11.417 0.973 1.00 0.00 O ATOM 0 H GLY A 41 -2.162 -9.048 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.658 -10.331 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.948 -10.705 -1.799 1.00 0.00 H new ATOM 586 N PRO A 42 -2.362 -12.787 -0.802 1.00 0.00 N ATOM 587 CA PRO A 42 -2.669 -13.982 -0.009 1.00 0.00 C ATOM 588 C PRO A 42 -1.463 -14.480 0.780 1.00 0.00 C ATOM 589 O PRO A 42 -1.532 -15.504 1.458 1.00 0.00 O ATOM 590 CB PRO A 42 -3.080 -15.012 -1.065 1.00 0.00 C ATOM 591 CG PRO A 42 -2.397 -14.569 -2.313 1.00 0.00 C ATOM 592 CD PRO A 42 -2.350 -13.067 -2.248 1.00 0.00 C ATOM 0 HA PRO A 42 -3.437 -13.788 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.770 -16.017 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.162 -15.037 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.393 -14.988 -2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.941 -14.905 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.454 -12.672 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.205 -12.616 -2.752 1.00 0.00 H new ATOM 600 N GLY A 43 -0.357 -13.747 0.686 1.00 0.00 N ATOM 601 CA GLY A 43 0.849 -14.131 1.397 1.00 0.00 C ATOM 602 C GLY A 43 1.990 -13.160 1.168 1.00 0.00 C ATOM 603 O GLY A 43 2.983 -13.498 0.523 1.00 0.00 O ATOM 0 H GLY A 43 -0.275 -12.895 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.635 -14.190 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.154 -15.127 1.077 1.00 0.00 H new ATOM 607 N VAL A 44 1.849 -11.948 1.697 1.00 0.00 N ATOM 608 CA VAL A 44 2.877 -10.924 1.547 1.00 0.00 C ATOM 609 C VAL A 44 4.261 -11.486 1.851 1.00 0.00 C ATOM 610 O VAL A 44 4.448 -12.203 2.833 1.00 0.00 O ATOM 611 CB VAL A 44 2.608 -9.721 2.469 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.775 -10.118 3.928 1.00 0.00 C ATOM 613 CG2 VAL A 44 3.529 -8.563 2.114 1.00 0.00 C ATOM 0 H VAL A 44 1.033 -11.651 2.233 1.00 0.00 H new ATOM 0 HA VAL A 44 2.844 -10.591 0.510 1.00 0.00 H new ATOM 0 HB VAL A 44 1.578 -9.395 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.581 -9.255 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.071 -10.914 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.793 -10.470 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.326 -7.721 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.567 -8.874 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.355 -8.263 1.081 1.00 0.00 H new ATOM 623 N ASN A 45 5.228 -11.154 1.003 1.00 0.00 N ATOM 624 CA ASN A 45 6.597 -11.625 1.181 1.00 0.00 C ATOM 625 C ASN A 45 7.251 -10.952 2.384 1.00 0.00 C ATOM 626 O ASN A 45 6.947 -9.804 2.708 1.00 0.00 O ATOM 627 CB ASN A 45 7.420 -11.354 -0.080 1.00 0.00 C ATOM 628 CG ASN A 45 7.068 -10.028 -0.726 1.00 0.00 C ATOM 629 OD1 ASN A 45 6.664 -9.083 -0.049 1.00 0.00 O ATOM 630 ND2 ASN A 45 7.221 -9.954 -2.043 1.00 0.00 N ATOM 0 H ASN A 45 5.089 -10.560 0.185 1.00 0.00 H new ATOM 0 HA ASN A 45 6.565 -12.700 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.480 -11.362 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.257 -12.159 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.000 -9.088 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.559 -10.763 -2.563 1.00 0.00 H new ATOM 637 N VAL A 46 8.153 -11.675 3.041 1.00 0.00 N ATOM 638 CA VAL A 46 8.852 -11.148 4.207 1.00 0.00 C ATOM 639 C VAL A 46 9.991 -10.223 3.793 1.00 0.00 C ATOM 640 O VAL A 46 11.125 -10.662 3.608 1.00 0.00 O ATOM 641 CB VAL A 46 9.419 -12.282 5.082 1.00 0.00 C ATOM 642 CG1 VAL A 46 10.183 -11.711 6.266 1.00 0.00 C ATOM 643 CG2 VAL A 46 8.301 -13.201 5.551 1.00 0.00 C ATOM 0 H VAL A 46 8.416 -12.627 2.786 1.00 0.00 H new ATOM 0 HA VAL A 46 8.121 -10.584 4.786 1.00 0.00 H new ATOM 0 HB VAL A 46 10.114 -12.869 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.576 -12.527 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.008 -11.097 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.513 -11.099 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.719 -13.997 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.581 -12.629 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.801 -13.637 4.686 1.00 0.00 H new ATOM 653 N GLY A 47 9.680 -8.938 3.650 1.00 0.00 N ATOM 654 CA GLY A 47 10.688 -7.970 3.259 1.00 0.00 C ATOM 655 C GLY A 47 10.120 -6.574 3.098 1.00 0.00 C ATOM 656 O GLY A 47 9.679 -5.958 4.069 1.00 0.00 O ATOM 0 H GLY A 47 8.748 -8.550 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.480 -7.952 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.144 -8.284 2.320 1.00 0.00 H new ATOM 660 N THR A 48 10.132 -6.070 1.867 1.00 0.00 N ATOM 661 CA THR A 48 9.617 -4.737 1.582 1.00 0.00 C ATOM 662 C THR A 48 8.096 -4.745 1.481 1.00 0.00 C ATOM 663 O THR A 48 7.536 -4.818 0.387 1.00 0.00 O ATOM 664 CB THR A 48 10.204 -4.176 0.274 1.00 0.00 C ATOM 665 OG1 THR A 48 11.632 -4.110 0.366 1.00 0.00 O ATOM 666 CG2 THR A 48 9.645 -2.792 -0.021 1.00 0.00 C ATOM 0 H THR A 48 10.493 -6.566 1.052 1.00 0.00 H new ATOM 0 HA THR A 48 9.920 -4.097 2.411 1.00 0.00 H new ATOM 0 HB THR A 48 9.923 -4.844 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.914 -3.173 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.074 -2.417 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.561 -2.851 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.898 -2.116 0.795 1.00 0.00 H new ATOM 674 N THR A 49 7.431 -4.669 2.630 1.00 0.00 N ATOM 675 CA THR A 49 5.974 -4.668 2.671 1.00 0.00 C ATOM 676 C THR A 49 5.393 -3.800 1.560 1.00 0.00 C ATOM 677 O THR A 49 5.758 -2.634 1.416 1.00 0.00 O ATOM 678 CB THR A 49 5.450 -4.163 4.028 1.00 0.00 C ATOM 679 OG1 THR A 49 6.382 -4.489 5.065 1.00 0.00 O ATOM 680 CG2 THR A 49 4.094 -4.774 4.347 1.00 0.00 C ATOM 0 H THR A 49 7.879 -4.607 3.544 1.00 0.00 H new ATOM 0 HA THR A 49 5.654 -5.700 2.528 1.00 0.00 H new ATOM 0 HB THR A 49 5.337 -3.080 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.947 -3.711 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.745 -4.402 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.379 -4.499 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.185 -5.859 4.388 1.00 0.00 H new ATOM 688 N ALA A 50 4.488 -4.377 0.777 1.00 0.00 N ATOM 689 CA ALA A 50 3.855 -3.655 -0.320 1.00 0.00 C ATOM 690 C ALA A 50 3.594 -2.201 0.059 1.00 0.00 C ATOM 691 O ALA A 50 3.725 -1.300 -0.771 1.00 0.00 O ATOM 692 CB ALA A 50 2.556 -4.339 -0.722 1.00 0.00 C ATOM 0 H ALA A 50 4.176 -5.343 0.882 1.00 0.00 H new ATOM 0 HA ALA A 50 4.536 -3.665 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.094 -3.789 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.766 -5.360 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.876 -4.359 0.130 1.00 0.00 H new ATOM 698 N LEU A 51 3.224 -1.979 1.315 1.00 0.00 N ATOM 699 CA LEU A 51 2.944 -0.633 1.804 1.00 0.00 C ATOM 700 C LEU A 51 4.126 0.296 1.547 1.00 0.00 C ATOM 701 O LEU A 51 3.961 1.392 1.011 1.00 0.00 O ATOM 702 CB LEU A 51 2.623 -0.669 3.299 1.00 0.00 C ATOM 703 CG LEU A 51 1.600 -1.716 3.741 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.550 -1.805 5.259 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.225 -1.389 3.178 1.00 0.00 C ATOM 0 H LEU A 51 3.111 -2.713 2.014 1.00 0.00 H new ATOM 0 HA LEU A 51 2.080 -0.248 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.550 -0.843 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.258 0.314 3.596 1.00 0.00 H new ATOM 0 HG LEU A 51 1.909 -2.686 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.817 -2.555 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.532 -2.087 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.266 -0.837 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.490 -2.145 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.092 -0.410 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.271 -1.377 2.089 1.00 0.00 H new ATOM 717 N TRP A 52 5.316 -0.150 1.932 1.00 0.00 N ATOM 718 CA TRP A 52 6.527 0.641 1.741 1.00 0.00 C ATOM 719 C TRP A 52 6.606 1.181 0.317 1.00 0.00 C ATOM 720 O TRP A 52 6.865 2.366 0.105 1.00 0.00 O ATOM 721 CB TRP A 52 7.765 -0.202 2.050 1.00 0.00 C ATOM 722 CG TRP A 52 8.025 -0.361 3.517 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.786 -1.471 4.276 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.571 0.623 4.403 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.151 -1.237 5.580 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.636 0.040 5.683 1.00 0.00 C ATOM 727 CE3 TRP A 52 9.013 1.938 4.238 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.124 0.729 6.790 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.497 2.621 5.338 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.551 2.016 6.600 1.00 0.00 C ATOM 0 H TRP A 52 5.469 -1.054 2.378 1.00 0.00 H new ATOM 0 HA TRP A 52 6.491 1.486 2.428 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.646 -1.188 1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.635 0.258 1.582 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.371 -2.397 3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.073 -1.905 6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.977 2.412 3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.164 0.265 7.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.839 3.639 5.222 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.937 2.575 7.439 1.00 0.00 H new ATOM 741 N LYS A 53 6.381 0.305 -0.656 1.00 0.00 N ATOM 742 CA LYS A 53 6.425 0.694 -2.061 1.00 0.00 C ATOM 743 C LYS A 53 5.558 1.924 -2.313 1.00 0.00 C ATOM 744 O LYS A 53 5.925 2.805 -3.091 1.00 0.00 O ATOM 745 CB LYS A 53 5.957 -0.463 -2.946 1.00 0.00 C ATOM 746 CG LYS A 53 6.950 -1.609 -3.025 1.00 0.00 C ATOM 747 CD LYS A 53 6.316 -2.857 -3.616 1.00 0.00 C ATOM 748 CE LYS A 53 7.216 -4.072 -3.450 1.00 0.00 C ATOM 749 NZ LYS A 53 8.256 -4.141 -4.513 1.00 0.00 N ATOM 0 H LYS A 53 6.166 -0.679 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 53 7.457 0.941 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.009 -0.841 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.768 -0.087 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.804 -1.311 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.331 -1.831 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.358 -3.044 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.112 -2.696 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.697 -4.037 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.611 -4.978 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.849 -4.983 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.797 -4.200 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.850 -3.288 -4.474 1.00 0.00 H new ATOM 763 N HIS A 54 4.408 1.978 -1.648 1.00 0.00 N ATOM 764 CA HIS A 54 3.491 3.102 -1.799 1.00 0.00 C ATOM 765 C HIS A 54 4.017 4.335 -1.071 1.00 0.00 C ATOM 766 O HIS A 54 3.951 5.450 -1.589 1.00 0.00 O ATOM 767 CB HIS A 54 2.107 2.732 -1.264 1.00 0.00 C ATOM 768 CG HIS A 54 1.111 3.848 -1.356 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.651 4.348 -2.555 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.487 4.559 -0.388 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.213 5.321 -2.321 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.330 5.468 -1.014 1.00 0.00 N ATOM 0 H HIS A 54 4.089 1.257 -1.000 1.00 0.00 H new ATOM 0 HA HIS A 54 3.413 3.335 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.730 1.873 -1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.200 2.424 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.609 4.435 0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.734 5.897 -3.071 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.930 6.147 -0.545 1.00 0.00 H new ATOM 780 N LEU A 55 4.540 4.127 0.133 1.00 0.00 N ATOM 781 CA LEU A 55 5.078 5.222 0.933 1.00 0.00 C ATOM 782 C LEU A 55 6.241 5.900 0.216 1.00 0.00 C ATOM 783 O LEU A 55 6.275 7.123 0.083 1.00 0.00 O ATOM 784 CB LEU A 55 5.536 4.705 2.298 1.00 0.00 C ATOM 785 CG LEU A 55 4.435 4.191 3.225 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.022 3.298 4.308 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.673 5.353 3.844 1.00 0.00 C ATOM 0 H LEU A 55 4.603 3.211 0.576 1.00 0.00 H new ATOM 0 HA LEU A 55 4.286 5.957 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.253 3.900 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.068 5.508 2.809 1.00 0.00 H new ATOM 0 HG LEU A 55 3.736 3.599 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.223 2.942 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.521 2.446 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.743 3.866 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.893 4.968 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.360 5.973 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.219 5.952 3.055 1.00 0.00 H new ATOM 799 N LYS A 56 7.193 5.096 -0.247 1.00 0.00 N ATOM 800 CA LYS A 56 8.357 5.617 -0.954 1.00 0.00 C ATOM 801 C LYS A 56 7.983 6.060 -2.365 1.00 0.00 C ATOM 802 O LYS A 56 8.783 6.685 -3.062 1.00 0.00 O ATOM 803 CB LYS A 56 9.458 4.556 -1.016 1.00 0.00 C ATOM 804 CG LYS A 56 9.789 3.943 0.334 1.00 0.00 C ATOM 805 CD LYS A 56 10.226 2.494 0.196 1.00 0.00 C ATOM 806 CE LYS A 56 11.695 2.389 -0.185 1.00 0.00 C ATOM 807 NZ LYS A 56 11.884 2.371 -1.662 1.00 0.00 N ATOM 0 H LYS A 56 7.181 4.081 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 56 8.726 6.484 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.150 3.765 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.360 5.004 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.581 4.519 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.916 4.001 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.054 1.970 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.617 1.999 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.242 3.230 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.118 1.482 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.885 2.197 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.302 1.616 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.597 3.288 -2.060 1.00 0.00 H new ATOM 821 N SER A 57 6.763 5.733 -2.780 1.00 0.00 N ATOM 822 CA SER A 57 6.285 6.095 -4.109 1.00 0.00 C ATOM 823 C SER A 57 5.748 7.523 -4.122 1.00 0.00 C ATOM 824 O SER A 57 5.989 8.279 -5.063 1.00 0.00 O ATOM 825 CB SER A 57 5.194 5.124 -4.564 1.00 0.00 C ATOM 826 OG SER A 57 4.532 5.605 -5.720 1.00 0.00 O ATOM 0 H SER A 57 6.088 5.218 -2.215 1.00 0.00 H new ATOM 0 HA SER A 57 7.126 6.035 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.635 4.149 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.472 4.982 -3.760 1.00 0.00 H new ATOM 0 HG SER A 57 3.841 4.965 -5.991 1.00 0.00 H new ATOM 832 N MET A 58 5.019 7.884 -3.071 1.00 0.00 N ATOM 833 CA MET A 58 4.449 9.222 -2.961 1.00 0.00 C ATOM 834 C MET A 58 4.851 9.877 -1.643 1.00 0.00 C ATOM 835 O MET A 58 5.042 11.092 -1.576 1.00 0.00 O ATOM 836 CB MET A 58 2.924 9.159 -3.068 1.00 0.00 C ATOM 837 CG MET A 58 2.259 8.470 -1.888 1.00 0.00 C ATOM 838 SD MET A 58 0.537 8.960 -1.677 1.00 0.00 S ATOM 839 CE MET A 58 -0.039 8.911 -3.372 1.00 0.00 C ATOM 0 H MET A 58 4.809 7.270 -2.284 1.00 0.00 H new ATOM 0 HA MET A 58 4.839 9.826 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.532 10.172 -3.154 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.654 8.634 -3.984 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.311 7.390 -2.027 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.813 8.702 -0.978 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.129 8.890 -3.386 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.314 9.796 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.347 8.017 -3.862 1.00 0.00 H new ATOM 849 N HIS A 59 4.977 9.066 -0.598 1.00 0.00 N ATOM 850 CA HIS A 59 5.357 9.568 0.718 1.00 0.00 C ATOM 851 C HIS A 59 6.861 9.439 0.935 1.00 0.00 C ATOM 852 O HIS A 59 7.328 9.337 2.069 1.00 0.00 O ATOM 853 CB HIS A 59 4.605 8.810 1.813 1.00 0.00 C ATOM 854 CG HIS A 59 3.117 8.834 1.644 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.359 9.974 1.809 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.247 7.848 1.321 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.087 9.688 1.597 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.992 8.405 1.299 1.00 0.00 N ATOM 0 H HIS A 59 4.822 8.059 -0.636 1.00 0.00 H new ATOM 0 HA HIS A 59 5.090 10.624 0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.944 7.774 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.859 9.240 2.782 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.723 10.894 2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.494 6.816 1.119 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.264 10.385 1.657 1.00 0.00 H new ATOM 866 N ARG A 60 7.615 9.444 -0.160 1.00 0.00 N ATOM 867 CA ARG A 60 9.066 9.326 -0.089 1.00 0.00 C ATOM 868 C ARG A 60 9.655 10.399 0.822 1.00 0.00 C ATOM 869 O ARG A 60 10.664 10.174 1.490 1.00 0.00 O ATOM 870 CB ARG A 60 9.677 9.437 -1.487 1.00 0.00 C ATOM 871 CG ARG A 60 11.194 9.531 -1.483 1.00 0.00 C ATOM 872 CD ARG A 60 11.728 9.974 -2.836 1.00 0.00 C ATOM 873 NE ARG A 60 11.524 8.958 -3.865 1.00 0.00 N ATOM 874 CZ ARG A 60 10.447 8.902 -4.639 1.00 0.00 C ATOM 875 NH1 ARG A 60 9.481 9.800 -4.502 1.00 0.00 N ATOM 876 NH2 ARG A 60 10.334 7.947 -5.554 1.00 0.00 N ATOM 0 H ARG A 60 7.245 9.529 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 60 9.306 8.348 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.377 8.570 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.268 10.317 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.514 10.236 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.619 8.562 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.233 10.898 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.792 10.195 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 60 12.249 8.253 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.565 10.536 -3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.654 9.755 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.075 7.255 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.506 7.905 -6.148 1.00 0.00 H new ATOM 890 N GLU A 61 9.018 11.566 0.842 1.00 0.00 N ATOM 891 CA GLU A 61 9.480 12.674 1.670 1.00 0.00 C ATOM 892 C GLU A 61 9.120 12.445 3.135 1.00 0.00 C ATOM 893 O GLU A 61 9.941 12.659 4.027 1.00 0.00 O ATOM 894 CB GLU A 61 8.873 13.991 1.184 1.00 0.00 C ATOM 895 CG GLU A 61 9.538 14.543 -0.066 1.00 0.00 C ATOM 896 CD GLU A 61 10.961 15.003 0.186 1.00 0.00 C ATOM 897 OE1 GLU A 61 11.297 15.282 1.355 1.00 0.00 O ATOM 898 OE2 GLU A 61 11.739 15.084 -0.788 1.00 0.00 O ATOM 0 H GLU A 61 8.181 11.768 0.295 1.00 0.00 H new ATOM 0 HA GLU A 61 10.565 12.730 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.812 13.841 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.946 14.731 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.540 13.777 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.951 15.379 -0.446 1.00 0.00 H new ATOM 905 N GLU A 62 7.887 12.010 3.375 1.00 0.00 N ATOM 906 CA GLU A 62 7.418 11.754 4.732 1.00 0.00 C ATOM 907 C GLU A 62 8.345 10.779 5.453 1.00 0.00 C ATOM 908 O GLU A 62 8.749 11.016 6.592 1.00 0.00 O ATOM 909 CB GLU A 62 5.993 11.197 4.706 1.00 0.00 C ATOM 910 CG GLU A 62 4.919 12.269 4.773 1.00 0.00 C ATOM 911 CD GLU A 62 5.133 13.374 3.757 1.00 0.00 C ATOM 912 OE1 GLU A 62 5.868 14.334 4.069 1.00 0.00 O ATOM 913 OE2 GLU A 62 4.565 13.278 2.649 1.00 0.00 O ATOM 0 H GLU A 62 7.195 11.828 2.648 1.00 0.00 H new ATOM 0 HA GLU A 62 7.421 12.699 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.856 10.614 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.864 10.513 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.944 11.812 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.903 12.699 5.774 1.00 0.00 H new ATOM 920 N LEU A 63 8.677 9.682 4.781 1.00 0.00 N ATOM 921 CA LEU A 63 9.555 8.669 5.357 1.00 0.00 C ATOM 922 C LEU A 63 10.873 9.288 5.814 1.00 0.00 C ATOM 923 O LEU A 63 11.241 9.192 6.984 1.00 0.00 O ATOM 924 CB LEU A 63 9.825 7.561 4.338 1.00 0.00 C ATOM 925 CG LEU A 63 8.597 6.810 3.822 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.989 5.841 2.718 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.906 6.073 4.960 1.00 0.00 C ATOM 0 H LEU A 63 8.352 9.471 3.837 1.00 0.00 H new ATOM 0 HA LEU A 63 9.055 8.241 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.344 7.998 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.505 6.838 4.789 1.00 0.00 H new ATOM 0 HG LEU A 63 7.898 7.537 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.102 5.316 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.439 6.393 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.708 5.119 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.034 5.544 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.598 5.357 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.590 6.789 5.718 1.00 0.00 H new ATOM 939 N GLU A 64 11.577 9.923 4.883 1.00 0.00 N ATOM 940 CA GLU A 64 12.852 10.558 5.191 1.00 0.00 C ATOM 941 C GLU A 64 12.751 11.391 6.466 1.00 0.00 C ATOM 942 O GLU A 64 13.590 11.282 7.361 1.00 0.00 O ATOM 943 CB GLU A 64 13.303 11.442 4.026 1.00 0.00 C ATOM 944 CG GLU A 64 13.481 10.684 2.721 1.00 0.00 C ATOM 945 CD GLU A 64 14.844 10.029 2.609 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.424 9.681 3.659 1.00 0.00 O ATOM 947 OE2 GLU A 64 15.331 9.864 1.470 1.00 0.00 O ATOM 0 H GLU A 64 11.286 10.011 3.909 1.00 0.00 H new ATOM 0 HA GLU A 64 13.591 9.772 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.571 12.236 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.245 11.922 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.707 9.921 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.341 11.369 1.885 1.00 0.00 H new ATOM 954 N LYS A 65 11.719 12.224 6.541 1.00 0.00 N ATOM 955 CA LYS A 65 11.505 13.076 7.705 1.00 0.00 C ATOM 956 C LYS A 65 11.526 12.255 8.991 1.00 0.00 C ATOM 957 O LYS A 65 12.009 12.716 10.025 1.00 0.00 O ATOM 958 CB LYS A 65 10.173 13.818 7.582 1.00 0.00 C ATOM 959 CG LYS A 65 10.184 14.919 6.536 1.00 0.00 C ATOM 960 CD LYS A 65 9.149 15.989 6.841 1.00 0.00 C ATOM 961 CE LYS A 65 9.123 17.062 5.764 1.00 0.00 C ATOM 962 NZ LYS A 65 10.330 17.933 5.819 1.00 0.00 N ATOM 0 H LYS A 65 11.017 12.327 5.809 1.00 0.00 H new ATOM 0 HA LYS A 65 12.316 13.803 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.389 13.102 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.917 14.250 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.175 15.372 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.987 14.490 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.164 15.531 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.370 16.446 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.060 16.591 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.228 17.673 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.258 18.672 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.396 18.376 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.180 17.359 5.647 1.00 0.00 H new ATOM 976 N SER A 66 10.999 11.037 8.919 1.00 0.00 N ATOM 977 CA SER A 66 10.955 10.153 10.078 1.00 0.00 C ATOM 978 C SER A 66 12.260 9.375 10.218 1.00 0.00 C ATOM 979 O SER A 66 12.269 8.236 10.682 1.00 0.00 O ATOM 980 CB SER A 66 9.779 9.182 9.960 1.00 0.00 C ATOM 981 OG SER A 66 8.541 9.861 10.084 1.00 0.00 O ATOM 0 H SER A 66 10.596 10.640 8.070 1.00 0.00 H new ATOM 0 HA SER A 66 10.822 10.768 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.822 8.670 8.999 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.856 8.417 10.732 1.00 0.00 H new ATOM 0 HG SER A 66 7.806 9.218 10.003 1.00 0.00 H new ATOM 987 N GLY A 67 13.361 10.001 9.812 1.00 0.00 N ATOM 988 CA GLY A 67 14.656 9.354 9.901 1.00 0.00 C ATOM 989 C GLY A 67 14.644 7.950 9.327 1.00 0.00 C ATOM 990 O GLY A 67 15.098 7.004 9.972 1.00 0.00 O ATOM 0 H GLY A 67 13.378 10.944 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.396 9.954 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.968 9.314 10.945 1.00 0.00 H new ATOM 994 N HIS A 68 14.122 7.814 8.112 1.00 0.00 N ATOM 995 CA HIS A 68 14.050 6.515 7.453 1.00 0.00 C ATOM 996 C HIS A 68 14.938 6.487 6.212 1.00 0.00 C ATOM 997 O HIS A 68 14.608 7.080 5.186 1.00 0.00 O ATOM 998 CB HIS A 68 12.606 6.193 7.068 1.00 0.00 C ATOM 999 CG HIS A 68 11.815 5.572 8.177 1.00 0.00 C ATOM 1000 ND1 HIS A 68 12.329 4.612 9.022 1.00 0.00 N ATOM 1001 CD2 HIS A 68 10.539 5.781 8.579 1.00 0.00 C ATOM 1002 CE1 HIS A 68 11.404 4.255 9.895 1.00 0.00 C ATOM 1003 NE2 HIS A 68 10.308 4.950 9.648 1.00 0.00 N ATOM 0 H HIS A 68 13.743 8.587 7.564 1.00 0.00 H new ATOM 0 HA HIS A 68 14.408 5.760 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.111 7.110 6.749 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.609 5.518 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.834 6.472 8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.523 3.520 10.677 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.433 4.881 10.167 1.00 0.00 H new ATOM 1011 N GLY A 69 16.068 5.793 6.314 1.00 0.00 N ATOM 1012 CA GLY A 69 16.986 5.701 5.194 1.00 0.00 C ATOM 1013 C GLY A 69 17.625 4.331 5.078 1.00 0.00 C ATOM 1014 O GLY A 69 18.042 3.748 6.079 1.00 0.00 O ATOM 0 H GLY A 69 16.364 5.293 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.452 5.929 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.766 6.454 5.305 1.00 0.00 H new ATOM 1018 N GLN A 70 17.699 3.816 3.855 1.00 0.00 N ATOM 1019 CA GLN A 70 18.290 2.505 3.614 1.00 0.00 C ATOM 1020 C GLN A 70 17.501 1.413 4.329 1.00 0.00 C ATOM 1021 O GLN A 70 18.073 0.441 4.822 1.00 0.00 O ATOM 1022 CB GLN A 70 19.747 2.485 4.078 1.00 0.00 C ATOM 1023 CG GLN A 70 20.711 3.108 3.082 1.00 0.00 C ATOM 1024 CD GLN A 70 21.085 2.159 1.960 1.00 0.00 C ATOM 1025 OE1 GLN A 70 21.418 0.998 2.199 1.00 0.00 O ATOM 1026 NE2 GLN A 70 21.031 2.650 0.727 1.00 0.00 N ATOM 0 H GLN A 70 17.358 4.286 3.017 1.00 0.00 H new ATOM 0 HA GLN A 70 18.256 2.311 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.825 3.016 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.046 1.454 4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.260 4.006 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.615 3.421 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.749 3.619 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 70 21.271 2.058 -0.068 1.00 0.00 H new ATOM 1035 N SER A 71 16.183 1.580 4.383 1.00 0.00 N ATOM 1036 CA SER A 71 15.316 0.610 5.041 1.00 0.00 C ATOM 1037 C SER A 71 14.987 -0.549 4.105 1.00 0.00 C ATOM 1038 O SER A 71 13.873 -1.071 4.113 1.00 0.00 O ATOM 1039 CB SER A 71 14.025 1.285 5.509 1.00 0.00 C ATOM 1040 OG SER A 71 14.303 2.457 6.254 1.00 0.00 O ATOM 0 H SER A 71 15.693 2.378 3.979 1.00 0.00 H new ATOM 0 HA SER A 71 15.846 0.214 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.409 1.537 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.449 0.590 6.120 1.00 0.00 H new ATOM 0 HG SER A 71 13.462 2.870 6.540 1.00 0.00 H new ATOM 1046 N GLY A 72 15.967 -0.946 3.299 1.00 0.00 N ATOM 1047 CA GLY A 72 15.763 -2.040 2.367 1.00 0.00 C ATOM 1048 C GLY A 72 16.734 -2.000 1.204 1.00 0.00 C ATOM 1049 O GLY A 72 16.940 -0.961 0.576 1.00 0.00 O ATOM 0 H GLY A 72 16.898 -0.530 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.872 -2.988 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.743 -2.003 1.986 1.00 0.00 H new ATOM 1053 N PRO A 73 17.352 -3.151 0.903 1.00 0.00 N ATOM 1054 CA PRO A 73 18.318 -3.269 -0.193 1.00 0.00 C ATOM 1055 C PRO A 73 17.657 -3.152 -1.563 1.00 0.00 C ATOM 1056 O PRO A 73 18.335 -3.126 -2.590 1.00 0.00 O ATOM 1057 CB PRO A 73 18.904 -4.669 -0.001 1.00 0.00 C ATOM 1058 CG PRO A 73 17.846 -5.427 0.724 1.00 0.00 C ATOM 1059 CD PRO A 73 17.155 -4.428 1.610 1.00 0.00 C ATOM 0 HA PRO A 73 19.063 -2.473 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.139 -5.134 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.830 -4.635 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.143 -5.881 0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.279 -6.236 1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.097 -4.662 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.592 -4.406 2.608 1.00 0.00 H new ATOM 1067 N SER A 74 16.329 -3.082 -1.570 1.00 0.00 N ATOM 1068 CA SER A 74 15.577 -2.971 -2.814 1.00 0.00 C ATOM 1069 C SER A 74 15.410 -1.509 -3.220 1.00 0.00 C ATOM 1070 O SER A 74 14.318 -1.077 -3.589 1.00 0.00 O ATOM 1071 CB SER A 74 14.205 -3.630 -2.665 1.00 0.00 C ATOM 1072 OG SER A 74 13.443 -3.001 -1.649 1.00 0.00 O ATOM 0 H SER A 74 15.753 -3.100 -0.729 1.00 0.00 H new ATOM 0 HA SER A 74 16.137 -3.485 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.668 -3.577 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.330 -4.687 -2.428 1.00 0.00 H new ATOM 0 HG SER A 74 12.953 -3.680 -1.139 1.00 0.00 H new ATOM 1078 N SER A 75 16.501 -0.753 -3.148 1.00 0.00 N ATOM 1079 CA SER A 75 16.476 0.660 -3.504 1.00 0.00 C ATOM 1080 C SER A 75 17.161 0.895 -4.846 1.00 0.00 C ATOM 1081 O SER A 75 17.898 1.865 -5.019 1.00 0.00 O ATOM 1082 CB SER A 75 17.159 1.493 -2.417 1.00 0.00 C ATOM 1083 OG SER A 75 16.803 2.861 -2.523 1.00 0.00 O ATOM 0 H SER A 75 17.413 -1.096 -2.846 1.00 0.00 H new ATOM 0 HA SER A 75 15.434 0.969 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.877 1.116 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.241 1.388 -2.500 1.00 0.00 H new ATOM 0 HG SER A 75 17.021 3.187 -3.421 1.00 0.00 H new ATOM 1089 N GLY A 76 16.911 -0.001 -5.796 1.00 0.00 N ATOM 1090 CA GLY A 76 17.511 0.125 -7.112 1.00 0.00 C ATOM 1091 C GLY A 76 16.833 1.183 -7.959 1.00 0.00 C ATOM 1092 O GLY A 76 16.781 2.340 -7.544 1.00 0.00 O ATOM 0 H GLY A 76 16.304 -0.812 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.567 0.372 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.459 -0.835 -7.625 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.736 6.843 0.873 1.00 0.00 ZN