USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ -163:sc= 0.322 (180deg=0.187) USER MOD Set 1.2: A 45 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 37:sc= 1.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.0402 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -1.69! (180deg=-5.28!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.038 (180deg=-0.346) USER MOD Single : A 31 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7.3!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 130:sc= -1.18 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 151:sc= -0.253 (180deg=-0.996) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -35:sc= 0.775 USER MOD Single : A 56 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00976 K(o=-0.0098,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= -3.01! C(o=-3!,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.256 -16.598 -1.795 1.00 0.00 N ATOM 2 CA GLY A 1 -3.826 -15.930 -3.009 1.00 0.00 C ATOM 3 C GLY A 1 -4.879 -14.987 -3.557 1.00 0.00 C ATOM 4 O GLY A 1 -5.839 -15.421 -4.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.501 -17.231 -1.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.462 -15.889 -1.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.113 -17.154 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.912 -15.371 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.583 -16.677 -3.765 1.00 0.00 H new ATOM 8 N SER A 2 -4.701 -13.695 -3.307 1.00 0.00 N ATOM 9 CA SER A 2 -5.646 -12.688 -3.776 1.00 0.00 C ATOM 10 C SER A 2 -5.224 -12.134 -5.133 1.00 0.00 C ATOM 11 O SER A 2 -4.033 -12.012 -5.422 1.00 0.00 O ATOM 12 CB SER A 2 -5.757 -11.549 -2.759 1.00 0.00 C ATOM 13 OG SER A 2 -7.007 -10.890 -2.866 1.00 0.00 O ATOM 0 H SER A 2 -3.911 -13.320 -2.782 1.00 0.00 H new ATOM 0 HA SER A 2 -6.620 -13.164 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.636 -11.945 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.950 -10.834 -2.920 1.00 0.00 H new ATOM 0 HG SER A 2 -7.054 -10.168 -2.205 1.00 0.00 H new ATOM 19 N SER A 3 -6.207 -11.801 -5.962 1.00 0.00 N ATOM 20 CA SER A 3 -5.938 -11.264 -7.290 1.00 0.00 C ATOM 21 C SER A 3 -6.098 -9.746 -7.305 1.00 0.00 C ATOM 22 O SER A 3 -7.210 -9.229 -7.393 1.00 0.00 O ATOM 23 CB SER A 3 -6.877 -11.897 -8.319 1.00 0.00 C ATOM 24 OG SER A 3 -8.227 -11.547 -8.062 1.00 0.00 O ATOM 0 H SER A 3 -7.198 -11.894 -5.737 1.00 0.00 H new ATOM 0 HA SER A 3 -4.908 -11.506 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.598 -11.570 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.769 -12.981 -8.296 1.00 0.00 H new ATOM 0 HG SER A 3 -8.270 -10.620 -7.746 1.00 0.00 H new ATOM 30 N GLY A 4 -4.976 -9.039 -7.220 1.00 0.00 N ATOM 31 CA GLY A 4 -5.011 -7.588 -7.225 1.00 0.00 C ATOM 32 C GLY A 4 -5.571 -7.026 -8.516 1.00 0.00 C ATOM 33 O GLY A 4 -6.469 -7.614 -9.119 1.00 0.00 O ATOM 0 H GLY A 4 -4.043 -9.445 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.616 -7.239 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.003 -7.203 -7.072 1.00 0.00 H new ATOM 37 N SER A 5 -5.042 -5.883 -8.942 1.00 0.00 N ATOM 38 CA SER A 5 -5.499 -5.239 -10.167 1.00 0.00 C ATOM 39 C SER A 5 -4.318 -4.880 -11.064 1.00 0.00 C ATOM 40 O SER A 5 -4.356 -5.099 -12.276 1.00 0.00 O ATOM 41 CB SER A 5 -6.304 -3.980 -9.838 1.00 0.00 C ATOM 42 OG SER A 5 -7.671 -4.290 -9.629 1.00 0.00 O ATOM 0 H SER A 5 -4.296 -5.384 -8.456 1.00 0.00 H new ATOM 0 HA SER A 5 -6.139 -5.942 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.895 -3.505 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.211 -3.262 -10.652 1.00 0.00 H new ATOM 0 HG SER A 5 -8.164 -3.470 -9.419 1.00 0.00 H new ATOM 48 N SER A 6 -3.270 -4.329 -10.461 1.00 0.00 N ATOM 49 CA SER A 6 -2.079 -3.935 -11.205 1.00 0.00 C ATOM 50 C SER A 6 -0.853 -3.919 -10.298 1.00 0.00 C ATOM 51 O SER A 6 -0.877 -3.339 -9.213 1.00 0.00 O ATOM 52 CB SER A 6 -2.279 -2.556 -11.837 1.00 0.00 C ATOM 53 OG SER A 6 -2.681 -1.604 -10.867 1.00 0.00 O ATOM 0 H SER A 6 -3.221 -4.145 -9.459 1.00 0.00 H new ATOM 0 HA SER A 6 -1.915 -4.668 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.352 -2.230 -12.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.031 -2.618 -12.623 1.00 0.00 H new ATOM 0 HG SER A 6 -2.234 -1.795 -10.016 1.00 0.00 H new ATOM 59 N GLY A 7 0.220 -4.559 -10.752 1.00 0.00 N ATOM 60 CA GLY A 7 1.442 -4.607 -9.970 1.00 0.00 C ATOM 61 C GLY A 7 1.241 -5.269 -8.621 1.00 0.00 C ATOM 62 O GLY A 7 0.109 -5.498 -8.197 1.00 0.00 O ATOM 0 H GLY A 7 0.265 -5.045 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.205 -5.150 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.815 -3.594 -9.822 1.00 0.00 H new ATOM 66 N MET A 8 2.343 -5.579 -7.946 1.00 0.00 N ATOM 67 CA MET A 8 2.283 -6.220 -6.637 1.00 0.00 C ATOM 68 C MET A 8 2.709 -5.252 -5.538 1.00 0.00 C ATOM 69 O MET A 8 3.896 -5.118 -5.244 1.00 0.00 O ATOM 70 CB MET A 8 3.173 -7.463 -6.612 1.00 0.00 C ATOM 71 CG MET A 8 2.726 -8.512 -5.607 1.00 0.00 C ATOM 72 SD MET A 8 1.024 -9.047 -5.875 1.00 0.00 S ATOM 73 CE MET A 8 0.428 -9.137 -4.188 1.00 0.00 C ATOM 0 H MET A 8 3.288 -5.397 -8.284 1.00 0.00 H new ATOM 0 HA MET A 8 1.251 -6.519 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.189 -7.908 -7.607 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.195 -7.163 -6.381 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.389 -9.375 -5.669 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.822 -8.109 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.614 -9.456 -4.187 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.027 -9.855 -3.628 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.508 -8.155 -3.721 1.00 0.00 H new ATOM 83 N GLU A 9 1.733 -4.580 -4.935 1.00 0.00 N ATOM 84 CA GLU A 9 2.010 -3.624 -3.870 1.00 0.00 C ATOM 85 C GLU A 9 1.071 -3.842 -2.686 1.00 0.00 C ATOM 86 O GLU A 9 -0.145 -3.703 -2.811 1.00 0.00 O ATOM 87 CB GLU A 9 1.868 -2.192 -4.390 1.00 0.00 C ATOM 88 CG GLU A 9 2.870 -1.837 -5.475 1.00 0.00 C ATOM 89 CD GLU A 9 2.694 -2.672 -6.728 1.00 0.00 C ATOM 90 OE1 GLU A 9 1.540 -3.032 -7.044 1.00 0.00 O ATOM 91 OE2 GLU A 9 3.710 -2.964 -7.394 1.00 0.00 O ATOM 0 H GLU A 9 0.745 -4.680 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 9 3.035 -3.781 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.859 -2.054 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.986 -1.499 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.767 -0.782 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.880 -1.975 -5.090 1.00 0.00 H new ATOM 98 N GLU A 10 1.646 -4.184 -1.537 1.00 0.00 N ATOM 99 CA GLU A 10 0.861 -4.422 -0.333 1.00 0.00 C ATOM 100 C GLU A 10 1.154 -3.363 0.727 1.00 0.00 C ATOM 101 O GLU A 10 2.282 -3.242 1.202 1.00 0.00 O ATOM 102 CB GLU A 10 1.157 -5.815 0.229 1.00 0.00 C ATOM 103 CG GLU A 10 0.124 -6.299 1.232 1.00 0.00 C ATOM 104 CD GLU A 10 -1.234 -6.537 0.603 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.396 -7.565 -0.087 1.00 0.00 O ATOM 106 OE2 GLU A 10 -2.136 -5.695 0.801 1.00 0.00 O ATOM 0 H GLU A 10 2.652 -4.302 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.194 -4.362 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.211 -6.526 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.137 -5.804 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.474 -7.223 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.026 -5.564 2.031 1.00 0.00 H new ATOM 113 N TRP A 11 0.130 -2.599 1.089 1.00 0.00 N ATOM 114 CA TRP A 11 0.277 -1.549 2.090 1.00 0.00 C ATOM 115 C TRP A 11 -0.502 -1.891 3.356 1.00 0.00 C ATOM 116 O TRP A 11 -1.725 -2.023 3.326 1.00 0.00 O ATOM 117 CB TRP A 11 -0.201 -0.209 1.528 1.00 0.00 C ATOM 118 CG TRP A 11 0.838 0.496 0.709 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.289 0.135 -0.528 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.555 1.681 1.071 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.244 1.024 -0.958 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.425 1.983 0.004 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.545 2.518 2.189 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.275 3.084 0.027 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.391 3.611 2.211 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.245 3.887 1.135 1.00 0.00 C ATOM 0 H TRP A 11 -0.811 -2.687 0.705 1.00 0.00 H new ATOM 0 HA TRP A 11 1.334 -1.471 2.346 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.086 -0.376 0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.502 0.436 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.946 -0.723 -1.086 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.738 0.978 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.888 2.315 3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.935 3.298 -0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.394 4.263 3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.892 4.750 1.181 1.00 0.00 H new ATOM 137 N SER A 12 0.214 -2.031 4.467 1.00 0.00 N ATOM 138 CA SER A 12 -0.411 -2.362 5.742 1.00 0.00 C ATOM 139 C SER A 12 -1.019 -1.119 6.387 1.00 0.00 C ATOM 140 O SER A 12 -0.543 -0.003 6.180 1.00 0.00 O ATOM 141 CB SER A 12 0.613 -2.991 6.688 1.00 0.00 C ATOM 142 OG SER A 12 -0.027 -3.667 7.757 1.00 0.00 O ATOM 0 H SER A 12 1.227 -1.920 4.510 1.00 0.00 H new ATOM 0 HA SER A 12 -1.209 -3.080 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.241 -3.690 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.270 -2.217 7.085 1.00 0.00 H new ATOM 0 HG SER A 12 0.649 -4.062 8.346 1.00 0.00 H new ATOM 148 N ALA A 13 -2.074 -1.323 7.168 1.00 0.00 N ATOM 149 CA ALA A 13 -2.748 -0.221 7.845 1.00 0.00 C ATOM 150 C ALA A 13 -1.740 0.753 8.445 1.00 0.00 C ATOM 151 O ALA A 13 -1.689 1.922 8.063 1.00 0.00 O ATOM 152 CB ALA A 13 -3.676 -0.754 8.925 1.00 0.00 C ATOM 0 H ALA A 13 -2.481 -2.241 7.348 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.340 0.319 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.172 0.079 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.425 -1.405 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.097 -1.319 9.655 1.00 0.00 H new ATOM 158 N SER A 14 -0.938 0.264 9.385 1.00 0.00 N ATOM 159 CA SER A 14 0.066 1.094 10.041 1.00 0.00 C ATOM 160 C SER A 14 0.718 2.047 9.045 1.00 0.00 C ATOM 161 O SER A 14 0.789 3.253 9.280 1.00 0.00 O ATOM 162 CB SER A 14 1.134 0.216 10.696 1.00 0.00 C ATOM 163 OG SER A 14 0.771 -0.125 12.023 1.00 0.00 O ATOM 0 H SER A 14 -0.964 -0.703 9.710 1.00 0.00 H new ATOM 0 HA SER A 14 -0.432 1.684 10.810 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.273 -0.692 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.089 0.742 10.701 1.00 0.00 H new ATOM 0 HG SER A 14 1.469 -0.688 12.419 1.00 0.00 H new ATOM 169 N GLU A 15 1.192 1.497 7.931 1.00 0.00 N ATOM 170 CA GLU A 15 1.838 2.299 6.899 1.00 0.00 C ATOM 171 C GLU A 15 0.841 3.250 6.245 1.00 0.00 C ATOM 172 O GLU A 15 1.021 4.467 6.265 1.00 0.00 O ATOM 173 CB GLU A 15 2.468 1.394 5.839 1.00 0.00 C ATOM 174 CG GLU A 15 3.745 0.713 6.300 1.00 0.00 C ATOM 175 CD GLU A 15 4.254 -0.310 5.303 1.00 0.00 C ATOM 176 OE1 GLU A 15 3.436 -0.834 4.519 1.00 0.00 O ATOM 177 OE2 GLU A 15 5.473 -0.586 5.307 1.00 0.00 O ATOM 0 H GLU A 15 1.141 0.500 7.721 1.00 0.00 H new ATOM 0 HA GLU A 15 2.621 2.891 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.745 0.632 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.683 1.986 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.515 1.467 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.566 0.224 7.257 1.00 0.00 H new ATOM 184 N ALA A 16 -0.213 2.685 5.664 1.00 0.00 N ATOM 185 CA ALA A 16 -1.240 3.481 5.004 1.00 0.00 C ATOM 186 C ALA A 16 -1.500 4.779 5.761 1.00 0.00 C ATOM 187 O ALA A 16 -1.421 5.868 5.192 1.00 0.00 O ATOM 188 CB ALA A 16 -2.527 2.678 4.871 1.00 0.00 C ATOM 0 H ALA A 16 -0.378 1.679 5.637 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.881 3.738 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.285 3.285 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.337 1.782 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.881 2.391 5.861 1.00 0.00 H new ATOM 194 N CYS A 17 -1.811 4.656 7.047 1.00 0.00 N ATOM 195 CA CYS A 17 -2.084 5.820 7.883 1.00 0.00 C ATOM 196 C CYS A 17 -0.914 6.799 7.850 1.00 0.00 C ATOM 197 O CYS A 17 -1.085 7.975 7.525 1.00 0.00 O ATOM 198 CB CYS A 17 -2.361 5.386 9.323 1.00 0.00 C ATOM 199 SG CYS A 17 -3.322 6.581 10.281 1.00 0.00 S ATOM 0 H CYS A 17 -1.880 3.762 7.533 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.966 6.323 7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.894 4.435 9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.411 5.211 9.828 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.507 6.124 11.484 1.00 0.00 H new ATOM 205 N LEU A 18 0.272 6.307 8.188 1.00 0.00 N ATOM 206 CA LEU A 18 1.470 7.139 8.199 1.00 0.00 C ATOM 207 C LEU A 18 1.508 8.055 6.980 1.00 0.00 C ATOM 208 O LEU A 18 1.785 9.249 7.095 1.00 0.00 O ATOM 209 CB LEU A 18 2.723 6.263 8.231 1.00 0.00 C ATOM 210 CG LEU A 18 3.246 5.890 9.620 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.202 4.711 9.531 1.00 0.00 C ATOM 212 CD2 LEU A 18 3.925 7.084 10.273 1.00 0.00 C ATOM 0 H LEU A 18 0.430 5.336 8.458 1.00 0.00 H new ATOM 0 HA LEU A 18 1.444 7.758 9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.513 5.343 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.517 6.780 7.692 1.00 0.00 H new ATOM 0 HG LEU A 18 2.399 5.597 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.564 4.460 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.682 3.852 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.047 4.975 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.290 6.800 11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.762 7.409 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.209 7.900 10.372 1.00 0.00 H new ATOM 224 N PHE A 19 1.226 7.489 5.812 1.00 0.00 N ATOM 225 CA PHE A 19 1.226 8.254 4.570 1.00 0.00 C ATOM 226 C PHE A 19 0.211 9.392 4.633 1.00 0.00 C ATOM 227 O PHE A 19 0.559 10.558 4.451 1.00 0.00 O ATOM 228 CB PHE A 19 0.914 7.341 3.383 1.00 0.00 C ATOM 229 CG PHE A 19 0.943 8.048 2.059 1.00 0.00 C ATOM 230 CD1 PHE A 19 2.096 8.680 1.621 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.182 8.083 1.251 1.00 0.00 C ATOM 232 CE1 PHE A 19 2.127 9.332 0.403 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.157 8.733 0.032 1.00 0.00 C ATOM 234 CZ PHE A 19 0.998 9.359 -0.393 1.00 0.00 C ATOM 0 H PHE A 19 0.994 6.502 5.699 1.00 0.00 H new ATOM 0 HA PHE A 19 2.219 8.683 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.634 6.523 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.070 6.896 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.981 8.663 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.089 7.596 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.033 9.820 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.041 8.751 -0.588 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.019 9.868 -1.345 1.00 0.00 H new ATOM 244 N GLU A 20 -1.046 9.042 4.890 1.00 0.00 N ATOM 245 CA GLU A 20 -2.111 10.034 4.974 1.00 0.00 C ATOM 246 C GLU A 20 -1.657 11.255 5.767 1.00 0.00 C ATOM 247 O GLU A 20 -1.736 12.384 5.287 1.00 0.00 O ATOM 248 CB GLU A 20 -3.355 9.423 5.623 1.00 0.00 C ATOM 249 CG GLU A 20 -4.272 8.716 4.639 1.00 0.00 C ATOM 250 CD GLU A 20 -5.589 8.298 5.265 1.00 0.00 C ATOM 251 OE1 GLU A 20 -5.987 8.915 6.275 1.00 0.00 O ATOM 252 OE2 GLU A 20 -6.219 7.354 4.746 1.00 0.00 O ATOM 0 H GLU A 20 -1.351 8.081 5.043 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.357 10.353 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.043 8.714 6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.915 10.211 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.469 9.375 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.766 7.835 4.245 1.00 0.00 H new ATOM 259 N GLU A 21 -1.181 11.017 6.986 1.00 0.00 N ATOM 260 CA GLU A 21 -0.715 12.098 7.846 1.00 0.00 C ATOM 261 C GLU A 21 0.501 12.793 7.239 1.00 0.00 C ATOM 262 O GLU A 21 0.619 14.017 7.287 1.00 0.00 O ATOM 263 CB GLU A 21 -0.366 11.561 9.236 1.00 0.00 C ATOM 264 CG GLU A 21 0.583 10.374 9.209 1.00 0.00 C ATOM 265 CD GLU A 21 0.891 9.842 10.594 1.00 0.00 C ATOM 266 OE1 GLU A 21 1.588 10.543 11.359 1.00 0.00 O ATOM 267 OE2 GLU A 21 0.438 8.723 10.915 1.00 0.00 O ATOM 0 H GLU A 21 -1.108 10.087 7.399 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.521 12.826 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.084 12.362 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.285 11.270 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.146 9.578 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.513 10.668 8.722 1.00 0.00 H new ATOM 274 N ALA A 22 1.403 12.001 6.669 1.00 0.00 N ATOM 275 CA ALA A 22 2.609 12.538 6.051 1.00 0.00 C ATOM 276 C ALA A 22 2.271 13.644 5.057 1.00 0.00 C ATOM 277 O ALA A 22 2.726 14.780 5.197 1.00 0.00 O ATOM 278 CB ALA A 22 3.388 11.428 5.362 1.00 0.00 C ATOM 0 H ALA A 22 1.321 10.985 6.622 1.00 0.00 H new ATOM 0 HA ALA A 22 3.229 12.969 6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.286 11.843 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.670 10.672 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.767 10.972 4.592 1.00 0.00 H new ATOM 284 N LEU A 23 1.468 13.306 4.053 1.00 0.00 N ATOM 285 CA LEU A 23 1.069 14.271 3.035 1.00 0.00 C ATOM 286 C LEU A 23 0.689 15.606 3.669 1.00 0.00 C ATOM 287 O LEU A 23 0.986 16.669 3.124 1.00 0.00 O ATOM 288 CB LEU A 23 -0.107 13.728 2.223 1.00 0.00 C ATOM 289 CG LEU A 23 -0.193 14.196 0.770 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.049 13.774 -0.002 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.447 13.648 0.105 1.00 0.00 C ATOM 0 H LEU A 23 1.081 12.371 3.923 1.00 0.00 H new ATOM 0 HA LEU A 23 1.918 14.433 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.056 12.639 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.031 14.007 2.729 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.248 15.285 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.970 14.116 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.932 14.216 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.136 12.688 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.491 13.992 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.423 12.558 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.327 14.001 0.642 1.00 0.00 H new ATOM 303 N GLU A 24 0.035 15.542 4.824 1.00 0.00 N ATOM 304 CA GLU A 24 -0.383 16.747 5.532 1.00 0.00 C ATOM 305 C GLU A 24 0.758 17.305 6.377 1.00 0.00 C ATOM 306 O GLU A 24 0.841 18.511 6.610 1.00 0.00 O ATOM 307 CB GLU A 24 -1.592 16.448 6.421 1.00 0.00 C ATOM 308 CG GLU A 24 -2.789 15.904 5.659 1.00 0.00 C ATOM 309 CD GLU A 24 -3.735 15.116 6.545 1.00 0.00 C ATOM 310 OE1 GLU A 24 -4.623 15.738 7.164 1.00 0.00 O ATOM 311 OE2 GLU A 24 -3.587 13.879 6.619 1.00 0.00 O ATOM 0 H GLU A 24 -0.217 14.670 5.289 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.662 17.496 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.301 15.728 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.886 17.361 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.331 16.732 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.439 15.265 4.848 1.00 0.00 H new ATOM 318 N LYS A 25 1.637 16.418 6.833 1.00 0.00 N ATOM 319 CA LYS A 25 2.775 16.820 7.651 1.00 0.00 C ATOM 320 C LYS A 25 3.789 17.605 6.825 1.00 0.00 C ATOM 321 O LYS A 25 4.034 18.784 7.081 1.00 0.00 O ATOM 322 CB LYS A 25 3.445 15.590 8.267 1.00 0.00 C ATOM 323 CG LYS A 25 4.769 15.895 8.947 1.00 0.00 C ATOM 324 CD LYS A 25 4.578 16.223 10.419 1.00 0.00 C ATOM 325 CE LYS A 25 4.371 17.715 10.634 1.00 0.00 C ATOM 326 NZ LYS A 25 2.930 18.087 10.587 1.00 0.00 N ATOM 0 H LYS A 25 1.583 15.416 6.650 1.00 0.00 H new ATOM 0 HA LYS A 25 2.408 17.465 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.767 15.143 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.610 14.847 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.436 15.038 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.251 16.734 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.719 15.676 10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.449 15.890 10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.790 18.005 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.915 18.271 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.773 18.771 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.357 17.236 10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.652 18.514 11.494 1.00 0.00 H new ATOM 340 N TYR A 26 4.376 16.943 5.833 1.00 0.00 N ATOM 341 CA TYR A 26 5.365 17.579 4.970 1.00 0.00 C ATOM 342 C TYR A 26 4.718 18.094 3.689 1.00 0.00 C ATOM 343 O TYR A 26 4.676 19.298 3.441 1.00 0.00 O ATOM 344 CB TYR A 26 6.484 16.593 4.630 1.00 0.00 C ATOM 345 CG TYR A 26 7.398 16.289 5.795 1.00 0.00 C ATOM 346 CD1 TYR A 26 7.947 17.311 6.558 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.712 14.978 6.133 1.00 0.00 C ATOM 348 CE1 TYR A 26 8.784 17.038 7.623 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.547 14.695 7.196 1.00 0.00 C ATOM 350 CZ TYR A 26 9.080 15.728 7.938 1.00 0.00 C ATOM 351 OH TYR A 26 9.912 15.452 8.999 1.00 0.00 O ATOM 0 H TYR A 26 4.184 15.967 5.607 1.00 0.00 H new ATOM 0 HA TYR A 26 5.789 18.427 5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.041 15.663 4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.077 16.998 3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.716 18.338 6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.296 14.167 5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.204 17.845 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.781 13.670 7.445 1.00 0.00 H new ATOM 0 HH TYR A 26 10.018 14.482 9.088 1.00 0.00 H new ATOM 361 N GLY A 27 4.213 17.171 2.876 1.00 0.00 N ATOM 362 CA GLY A 27 3.574 17.551 1.629 1.00 0.00 C ATOM 363 C GLY A 27 3.983 16.658 0.473 1.00 0.00 C ATOM 364 O GLY A 27 4.519 15.569 0.678 1.00 0.00 O ATOM 0 H GLY A 27 4.235 16.168 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.492 17.509 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.829 18.584 1.394 1.00 0.00 H new ATOM 368 N LYS A 28 3.728 17.119 -0.746 1.00 0.00 N ATOM 369 CA LYS A 28 4.071 16.356 -1.941 1.00 0.00 C ATOM 370 C LYS A 28 5.495 15.816 -1.850 1.00 0.00 C ATOM 371 O LYS A 28 5.853 14.864 -2.543 1.00 0.00 O ATOM 372 CB LYS A 28 3.924 17.229 -3.189 1.00 0.00 C ATOM 373 CG LYS A 28 2.486 17.396 -3.647 1.00 0.00 C ATOM 374 CD LYS A 28 1.969 16.142 -4.332 1.00 0.00 C ATOM 375 CE LYS A 28 2.516 16.012 -5.745 1.00 0.00 C ATOM 376 NZ LYS A 28 1.996 17.082 -6.641 1.00 0.00 N ATOM 0 H LYS A 28 3.284 18.018 -0.933 1.00 0.00 H new ATOM 0 HA LYS A 28 3.384 15.513 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.349 18.212 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.506 16.791 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.855 17.630 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.417 18.241 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.252 15.265 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.880 16.166 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.605 16.057 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.247 15.036 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.101 16.786 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.991 17.250 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.533 17.959 -6.483 1.00 0.00 H new ATOM 390 N ASP A 29 6.302 16.430 -0.991 1.00 0.00 N ATOM 391 CA ASP A 29 7.686 16.009 -0.808 1.00 0.00 C ATOM 392 C ASP A 29 7.754 14.571 -0.304 1.00 0.00 C ATOM 393 O ASP A 29 7.604 14.313 0.890 1.00 0.00 O ATOM 394 CB ASP A 29 8.399 16.941 0.173 1.00 0.00 C ATOM 395 CG ASP A 29 9.060 18.116 -0.522 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.976 17.883 -1.338 1.00 0.00 O ATOM 397 OD2 ASP A 29 8.662 19.267 -0.249 1.00 0.00 O ATOM 0 H ASP A 29 6.021 17.221 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 29 8.187 16.060 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.681 17.312 0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.152 16.377 0.723 1.00 0.00 H new ATOM 402 N PHE A 30 7.983 13.637 -1.221 1.00 0.00 N ATOM 403 CA PHE A 30 8.069 12.225 -0.871 1.00 0.00 C ATOM 404 C PHE A 30 9.396 11.915 -0.184 1.00 0.00 C ATOM 405 O PHE A 30 9.501 10.962 0.587 1.00 0.00 O ATOM 406 CB PHE A 30 7.915 11.356 -2.121 1.00 0.00 C ATOM 407 CG PHE A 30 6.842 11.836 -3.055 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.591 12.187 -2.573 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.083 11.938 -4.416 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.601 12.628 -3.431 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.098 12.380 -5.279 1.00 0.00 C ATOM 412 CZ PHE A 30 4.855 12.725 -4.785 1.00 0.00 C ATOM 0 H PHE A 30 8.112 13.833 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 30 7.259 11.999 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.865 11.329 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.691 10.333 -1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.387 12.115 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.053 11.669 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.630 12.896 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.300 12.455 -6.337 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.083 13.070 -5.457 1.00 0.00 H new ATOM 422 N ASN A 31 10.408 12.729 -0.470 1.00 0.00 N ATOM 423 CA ASN A 31 11.729 12.543 0.120 1.00 0.00 C ATOM 424 C ASN A 31 11.672 12.677 1.638 1.00 0.00 C ATOM 425 O ASN A 31 11.858 11.702 2.365 1.00 0.00 O ATOM 426 CB ASN A 31 12.715 13.559 -0.458 1.00 0.00 C ATOM 427 CG ASN A 31 13.991 13.653 0.356 1.00 0.00 C ATOM 428 OD1 ASN A 31 13.969 14.046 1.522 1.00 0.00 O ATOM 429 ND2 ASN A 31 15.112 13.292 -0.257 1.00 0.00 N ATOM 0 H ASN A 31 10.338 13.523 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 31 12.070 11.537 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.961 13.281 -1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.240 14.539 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.002 13.334 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.084 12.972 -1.225 1.00 0.00 H new ATOM 436 N ASP A 32 11.413 13.892 2.108 1.00 0.00 N ATOM 437 CA ASP A 32 11.330 14.156 3.540 1.00 0.00 C ATOM 438 C ASP A 32 10.649 13.000 4.266 1.00 0.00 C ATOM 439 O ASP A 32 11.144 12.517 5.285 1.00 0.00 O ATOM 440 CB ASP A 32 10.566 15.456 3.797 1.00 0.00 C ATOM 441 CG ASP A 32 11.120 16.621 3.000 1.00 0.00 C ATOM 442 OD1 ASP A 32 11.122 16.539 1.753 1.00 0.00 O ATOM 443 OD2 ASP A 32 11.552 17.613 3.622 1.00 0.00 O ATOM 0 H ASP A 32 11.257 14.710 1.519 1.00 0.00 H new ATOM 0 HA ASP A 32 12.344 14.257 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.516 15.313 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.608 15.694 4.860 1.00 0.00 H new ATOM 448 N ILE A 33 9.512 12.563 3.737 1.00 0.00 N ATOM 449 CA ILE A 33 8.764 11.464 4.335 1.00 0.00 C ATOM 450 C ILE A 33 9.571 10.170 4.309 1.00 0.00 C ATOM 451 O ILE A 33 9.961 9.648 5.353 1.00 0.00 O ATOM 452 CB ILE A 33 7.424 11.235 3.610 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.572 12.505 3.654 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.677 10.067 4.237 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.662 12.663 2.456 1.00 0.00 C ATOM 0 H ILE A 33 9.088 12.953 2.895 1.00 0.00 H new ATOM 0 HA ILE A 33 8.565 11.744 5.369 1.00 0.00 H new ATOM 0 HB ILE A 33 7.628 10.993 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.967 12.496 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.229 13.372 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.732 9.917 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.282 9.164 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.481 10.282 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.088 13.584 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.262 12.704 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.980 11.815 2.403 1.00 0.00 H new ATOM 467 N ARG A 34 9.820 9.660 3.106 1.00 0.00 N ATOM 468 CA ARG A 34 10.582 8.427 2.943 1.00 0.00 C ATOM 469 C ARG A 34 11.855 8.460 3.785 1.00 0.00 C ATOM 470 O ARG A 34 12.429 7.418 4.099 1.00 0.00 O ATOM 471 CB ARG A 34 10.937 8.213 1.471 1.00 0.00 C ATOM 472 CG ARG A 34 11.922 7.079 1.240 1.00 0.00 C ATOM 473 CD ARG A 34 12.475 7.101 -0.176 1.00 0.00 C ATOM 474 NE ARG A 34 13.666 7.939 -0.286 1.00 0.00 N ATOM 475 CZ ARG A 34 14.590 7.783 -1.227 1.00 0.00 C ATOM 476 NH1 ARG A 34 14.461 6.826 -2.135 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.647 8.585 -1.261 1.00 0.00 N ATOM 0 H ARG A 34 9.506 10.081 2.232 1.00 0.00 H new ATOM 0 HA ARG A 34 9.962 7.598 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.024 8.009 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.357 9.135 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.742 7.157 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.429 6.124 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.717 6.085 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.709 7.469 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 34 13.795 8.685 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.651 6.207 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.172 6.708 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.750 9.322 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.356 8.464 -1.984 1.00 0.00 H new ATOM 491 N GLN A 35 12.290 9.664 4.144 1.00 0.00 N ATOM 492 CA GLN A 35 13.495 9.831 4.947 1.00 0.00 C ATOM 493 C GLN A 35 13.273 9.337 6.373 1.00 0.00 C ATOM 494 O GLN A 35 13.908 8.378 6.813 1.00 0.00 O ATOM 495 CB GLN A 35 13.922 11.300 4.965 1.00 0.00 C ATOM 496 CG GLN A 35 15.324 11.520 5.509 1.00 0.00 C ATOM 497 CD GLN A 35 16.403 11.152 4.509 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.794 9.989 4.400 1.00 0.00 O ATOM 499 NE2 GLN A 35 16.891 12.143 3.772 1.00 0.00 N ATOM 0 H GLN A 35 11.826 10.537 3.892 1.00 0.00 H new ATOM 0 HA GLN A 35 14.287 9.235 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.868 11.698 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.214 11.868 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.439 12.566 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.455 10.927 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.538 13.092 3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.619 11.955 3.083 1.00 0.00 H new ATOM 508 N ASP A 36 12.370 9.997 7.089 1.00 0.00 N ATOM 509 CA ASP A 36 12.063 9.624 8.464 1.00 0.00 C ATOM 510 C ASP A 36 10.789 8.787 8.529 1.00 0.00 C ATOM 511 O ASP A 36 10.815 7.630 8.947 1.00 0.00 O ATOM 512 CB ASP A 36 11.912 10.875 9.332 1.00 0.00 C ATOM 513 CG ASP A 36 13.223 11.306 9.959 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.286 10.991 9.386 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.186 11.960 11.023 1.00 0.00 O ATOM 0 H ASP A 36 11.837 10.794 6.739 1.00 0.00 H new ATOM 0 HA ASP A 36 12.889 9.024 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.518 11.690 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.182 10.682 10.119 1.00 0.00 H new ATOM 520 N PHE A 37 9.675 9.381 8.115 1.00 0.00 N ATOM 521 CA PHE A 37 8.391 8.691 8.129 1.00 0.00 C ATOM 522 C PHE A 37 8.562 7.215 7.783 1.00 0.00 C ATOM 523 O PHE A 37 8.293 6.338 8.605 1.00 0.00 O ATOM 524 CB PHE A 37 7.424 9.349 7.140 1.00 0.00 C ATOM 525 CG PHE A 37 6.610 10.457 7.745 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.200 11.662 8.085 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.254 10.290 7.974 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.453 12.684 8.641 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.502 11.308 8.530 1.00 0.00 C ATOM 530 CZ PHE A 37 5.103 12.506 8.864 1.00 0.00 C ATOM 0 H PHE A 37 9.636 10.339 7.766 1.00 0.00 H new ATOM 0 HA PHE A 37 7.979 8.765 9.135 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.992 9.744 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.751 8.590 6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.257 11.806 7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.779 9.355 7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.925 13.620 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.445 11.167 8.703 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.517 13.302 9.299 1.00 0.00 H new ATOM 540 N LEU A 38 9.013 6.948 6.562 1.00 0.00 N ATOM 541 CA LEU A 38 9.221 5.577 6.107 1.00 0.00 C ATOM 542 C LEU A 38 10.576 5.431 5.422 1.00 0.00 C ATOM 543 O LEU A 38 10.722 5.666 4.222 1.00 0.00 O ATOM 544 CB LEU A 38 8.105 5.163 5.146 1.00 0.00 C ATOM 545 CG LEU A 38 6.686 5.185 5.718 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.672 5.468 4.620 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.371 3.867 6.410 1.00 0.00 C ATOM 0 H LEU A 38 9.241 7.662 5.870 1.00 0.00 H new ATOM 0 HA LEU A 38 9.202 4.924 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.136 5.822 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.316 4.155 4.788 1.00 0.00 H new ATOM 0 HG LEU A 38 6.624 5.985 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.669 5.480 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.886 6.437 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.734 4.691 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.358 3.900 6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.451 3.051 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.078 3.705 7.223 1.00 0.00 H new ATOM 559 N PRO A 39 11.593 5.032 6.201 1.00 0.00 N ATOM 560 CA PRO A 39 12.954 4.843 5.691 1.00 0.00 C ATOM 561 C PRO A 39 13.063 3.638 4.763 1.00 0.00 C ATOM 562 O PRO A 39 13.807 3.662 3.783 1.00 0.00 O ATOM 563 CB PRO A 39 13.780 4.619 6.959 1.00 0.00 C ATOM 564 CG PRO A 39 12.810 4.083 7.953 1.00 0.00 C ATOM 565 CD PRO A 39 11.492 4.736 7.639 1.00 0.00 C ATOM 0 HA PRO A 39 13.287 5.692 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.594 3.916 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.231 5.548 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.735 2.998 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.127 4.313 8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.654 4.074 7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.342 5.642 8.226 1.00 0.00 H new ATOM 573 N TRP A 40 12.317 2.586 5.079 1.00 0.00 N ATOM 574 CA TRP A 40 12.330 1.370 4.273 1.00 0.00 C ATOM 575 C TRP A 40 11.578 1.578 2.962 1.00 0.00 C ATOM 576 O TRP A 40 12.041 1.168 1.897 1.00 0.00 O ATOM 577 CB TRP A 40 11.708 0.210 5.052 1.00 0.00 C ATOM 578 CG TRP A 40 10.336 0.511 5.572 1.00 0.00 C ATOM 579 CD1 TRP A 40 9.155 0.376 4.899 1.00 0.00 C ATOM 580 CD2 TRP A 40 10.002 1.001 6.877 1.00 0.00 C ATOM 581 NE1 TRP A 40 8.108 0.751 5.706 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.601 1.138 6.924 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.750 1.333 8.009 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.937 1.595 8.059 1.00 0.00 C ATOM 585 CZ3 TRP A 40 10.089 1.788 9.134 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.694 1.915 9.153 1.00 0.00 C ATOM 0 H TRP A 40 11.696 2.550 5.887 1.00 0.00 H new ATOM 0 HA TRP A 40 13.367 1.129 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.660 -0.667 4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.358 -0.046 5.889 1.00 0.00 H new ATOM 0 HD1 TRP A 40 9.058 0.026 3.882 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.123 0.743 5.441 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.826 1.236 8.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.862 1.694 8.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.658 2.050 10.014 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.207 2.272 10.048 1.00 0.00 H new ATOM 597 N LYS A 41 10.416 2.218 3.046 1.00 0.00 N ATOM 598 CA LYS A 41 9.600 2.482 1.867 1.00 0.00 C ATOM 599 C LYS A 41 10.415 3.193 0.791 1.00 0.00 C ATOM 600 O LYS A 41 11.333 3.956 1.095 1.00 0.00 O ATOM 601 CB LYS A 41 8.383 3.329 2.243 1.00 0.00 C ATOM 602 CG LYS A 41 7.421 2.627 3.185 1.00 0.00 C ATOM 603 CD LYS A 41 6.693 1.487 2.492 1.00 0.00 C ATOM 604 CE LYS A 41 5.423 1.972 1.810 1.00 0.00 C ATOM 605 NZ LYS A 41 4.822 0.920 0.944 1.00 0.00 N ATOM 0 H LYS A 41 10.018 2.564 3.919 1.00 0.00 H new ATOM 0 HA LYS A 41 9.260 1.526 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.724 4.254 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.850 3.608 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.969 2.241 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.695 3.345 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.351 1.028 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.444 0.716 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.699 2.278 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.647 2.853 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.145 1.357 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.573 0.444 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.328 0.223 1.537 1.00 0.00 H new ATOM 619 N SER A 42 10.072 2.941 -0.468 1.00 0.00 N ATOM 620 CA SER A 42 10.773 3.555 -1.590 1.00 0.00 C ATOM 621 C SER A 42 10.267 4.975 -1.834 1.00 0.00 C ATOM 622 O SER A 42 9.388 5.464 -1.125 1.00 0.00 O ATOM 623 CB SER A 42 10.594 2.713 -2.854 1.00 0.00 C ATOM 624 OG SER A 42 11.622 1.746 -2.972 1.00 0.00 O ATOM 0 H SER A 42 9.313 2.316 -0.737 1.00 0.00 H new ATOM 0 HA SER A 42 11.833 3.603 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.624 2.216 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.598 3.361 -3.730 1.00 0.00 H new ATOM 0 HG SER A 42 11.484 1.220 -3.787 1.00 0.00 H new ATOM 630 N LEU A 43 10.829 5.629 -2.845 1.00 0.00 N ATOM 631 CA LEU A 43 10.436 6.992 -3.185 1.00 0.00 C ATOM 632 C LEU A 43 9.111 7.005 -3.940 1.00 0.00 C ATOM 633 O LEU A 43 8.147 7.643 -3.514 1.00 0.00 O ATOM 634 CB LEU A 43 11.523 7.661 -4.028 1.00 0.00 C ATOM 635 CG LEU A 43 11.450 9.186 -4.130 1.00 0.00 C ATOM 636 CD1 LEU A 43 10.245 9.608 -4.956 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.394 9.811 -2.744 1.00 0.00 C ATOM 0 H LEU A 43 11.557 5.238 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 43 10.309 7.550 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.494 7.391 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.480 7.247 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 43 12.351 9.541 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.209 10.696 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.327 9.190 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.334 9.241 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.342 10.896 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.511 9.449 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.288 9.536 -2.185 1.00 0.00 H new ATOM 649 N THR A 44 9.068 6.294 -5.062 1.00 0.00 N ATOM 650 CA THR A 44 7.861 6.222 -5.876 1.00 0.00 C ATOM 651 C THR A 44 6.770 5.421 -5.173 1.00 0.00 C ATOM 652 O THR A 44 5.623 5.860 -5.087 1.00 0.00 O ATOM 653 CB THR A 44 8.146 5.583 -7.249 1.00 0.00 C ATOM 654 OG1 THR A 44 9.328 6.155 -7.819 1.00 0.00 O ATOM 655 CG2 THR A 44 6.972 5.785 -8.194 1.00 0.00 C ATOM 0 H THR A 44 9.856 5.759 -5.428 1.00 0.00 H new ATOM 0 HA THR A 44 7.519 7.246 -6.024 1.00 0.00 H new ATOM 0 HB THR A 44 8.294 4.513 -7.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.503 5.743 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.196 5.325 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.080 5.323 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.796 6.852 -8.333 1.00 0.00 H new ATOM 663 N SER A 45 7.136 4.248 -4.668 1.00 0.00 N ATOM 664 CA SER A 45 6.187 3.385 -3.975 1.00 0.00 C ATOM 665 C SER A 45 5.217 4.210 -3.133 1.00 0.00 C ATOM 666 O SER A 45 4.000 4.083 -3.266 1.00 0.00 O ATOM 667 CB SER A 45 6.929 2.386 -3.085 1.00 0.00 C ATOM 668 OG SER A 45 6.111 1.270 -2.779 1.00 0.00 O ATOM 0 H SER A 45 8.083 3.873 -4.726 1.00 0.00 H new ATOM 0 HA SER A 45 5.616 2.838 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.835 2.049 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.240 2.877 -2.163 1.00 0.00 H new ATOM 0 HG SER A 45 6.609 0.646 -2.211 1.00 0.00 H new ATOM 674 N ILE A 46 5.767 5.055 -2.267 1.00 0.00 N ATOM 675 CA ILE A 46 4.952 5.900 -1.404 1.00 0.00 C ATOM 676 C ILE A 46 3.981 6.745 -2.222 1.00 0.00 C ATOM 677 O ILE A 46 2.850 6.990 -1.801 1.00 0.00 O ATOM 678 CB ILE A 46 5.826 6.833 -0.543 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.739 6.011 0.369 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.951 7.769 0.278 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.977 6.759 0.815 1.00 0.00 C ATOM 0 H ILE A 46 6.773 5.172 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 46 4.389 5.234 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 46 6.450 7.436 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.176 5.699 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.041 5.104 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.582 8.422 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.338 8.373 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.305 7.183 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.578 6.117 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.562 7.048 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.683 7.652 1.366 1.00 0.00 H new ATOM 693 N ILE A 47 4.429 7.186 -3.392 1.00 0.00 N ATOM 694 CA ILE A 47 3.598 8.001 -4.271 1.00 0.00 C ATOM 695 C ILE A 47 2.368 7.228 -4.736 1.00 0.00 C ATOM 696 O ILE A 47 1.239 7.700 -4.603 1.00 0.00 O ATOM 697 CB ILE A 47 4.385 8.483 -5.503 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.605 9.299 -5.069 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.488 9.305 -6.417 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.576 9.578 -6.195 1.00 0.00 C ATOM 0 H ILE A 47 5.363 6.993 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 47 3.281 8.868 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 47 4.733 7.611 -6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.268 10.246 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.126 8.764 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.059 9.638 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.649 8.694 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.113 10.172 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.416 10.160 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.942 8.635 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.071 10.140 -6.980 1.00 0.00 H new ATOM 712 N GLU A 48 2.597 6.037 -5.282 1.00 0.00 N ATOM 713 CA GLU A 48 1.506 5.199 -5.767 1.00 0.00 C ATOM 714 C GLU A 48 0.272 5.347 -4.883 1.00 0.00 C ATOM 715 O GLU A 48 -0.833 5.584 -5.376 1.00 0.00 O ATOM 716 CB GLU A 48 1.942 3.733 -5.811 1.00 0.00 C ATOM 717 CG GLU A 48 2.631 3.341 -7.106 1.00 0.00 C ATOM 718 CD GLU A 48 2.919 1.855 -7.188 1.00 0.00 C ATOM 719 OE1 GLU A 48 1.954 1.062 -7.194 1.00 0.00 O ATOM 720 OE2 GLU A 48 4.111 1.484 -7.246 1.00 0.00 O ATOM 0 H GLU A 48 3.526 5.632 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 48 1.251 5.526 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.617 3.538 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.067 3.098 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.005 3.633 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.566 3.894 -7.197 1.00 0.00 H new ATOM 727 N TYR A 49 0.466 5.208 -3.576 1.00 0.00 N ATOM 728 CA TYR A 49 -0.632 5.324 -2.623 1.00 0.00 C ATOM 729 C TYR A 49 -1.461 6.575 -2.897 1.00 0.00 C ATOM 730 O TYR A 49 -2.690 6.525 -2.927 1.00 0.00 O ATOM 731 CB TYR A 49 -0.092 5.359 -1.194 1.00 0.00 C ATOM 732 CG TYR A 49 -1.154 5.144 -0.139 1.00 0.00 C ATOM 733 CD1 TYR A 49 -2.131 6.104 0.096 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.181 3.982 0.621 1.00 0.00 C ATOM 735 CE1 TYR A 49 -3.104 5.911 1.058 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.150 3.780 1.585 1.00 0.00 C ATOM 737 CZ TYR A 49 -3.110 4.748 1.800 1.00 0.00 C ATOM 738 OH TYR A 49 -4.076 4.552 2.759 1.00 0.00 O ATOM 0 H TYR A 49 1.373 5.015 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.275 4.452 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.676 4.593 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.391 6.321 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.130 7.016 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.431 3.223 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.856 6.667 1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.156 2.870 2.167 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.487 3.671 2.634 1.00 0.00 H new ATOM 748 N TYR A 50 -0.778 7.697 -3.097 1.00 0.00 N ATOM 749 CA TYR A 50 -1.450 8.963 -3.366 1.00 0.00 C ATOM 750 C TYR A 50 -2.603 8.770 -4.345 1.00 0.00 C ATOM 751 O TYR A 50 -3.754 9.084 -4.036 1.00 0.00 O ATOM 752 CB TYR A 50 -0.456 9.982 -3.926 1.00 0.00 C ATOM 753 CG TYR A 50 -1.101 11.276 -4.371 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.717 12.119 -3.455 1.00 0.00 C ATOM 755 CD2 TYR A 50 -1.095 11.653 -5.708 1.00 0.00 C ATOM 756 CE1 TYR A 50 -2.309 13.301 -3.857 1.00 0.00 C ATOM 757 CE2 TYR A 50 -1.683 12.834 -6.120 1.00 0.00 C ATOM 758 CZ TYR A 50 -2.289 13.654 -5.190 1.00 0.00 C ATOM 759 OH TYR A 50 -2.876 14.831 -5.595 1.00 0.00 O ATOM 0 H TYR A 50 0.240 7.756 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.855 9.338 -2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.293 10.202 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.069 9.538 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.734 11.846 -2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.623 11.012 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.785 13.945 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.668 13.113 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.773 14.931 -6.564 1.00 0.00 H new ATOM 769 N TYR A 51 -2.287 8.252 -5.526 1.00 0.00 N ATOM 770 CA TYR A 51 -3.297 8.017 -6.553 1.00 0.00 C ATOM 771 C TYR A 51 -4.534 7.351 -5.959 1.00 0.00 C ATOM 772 O TYR A 51 -5.617 7.933 -5.938 1.00 0.00 O ATOM 773 CB TYR A 51 -2.723 7.148 -7.672 1.00 0.00 C ATOM 774 CG TYR A 51 -1.607 7.814 -8.446 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.830 8.990 -9.152 1.00 0.00 C ATOM 776 CD2 TYR A 51 -0.329 7.269 -8.468 1.00 0.00 C ATOM 777 CE1 TYR A 51 -0.813 9.602 -9.860 1.00 0.00 C ATOM 778 CE2 TYR A 51 0.694 7.875 -9.172 1.00 0.00 C ATOM 779 CZ TYR A 51 0.447 9.041 -9.867 1.00 0.00 C ATOM 780 OH TYR A 51 1.462 9.648 -10.569 1.00 0.00 O ATOM 0 H TYR A 51 -1.340 7.987 -5.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.590 8.982 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.351 6.217 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.524 6.883 -8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.815 9.433 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.132 6.356 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.004 10.515 -10.405 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.682 7.438 -9.178 1.00 0.00 H new ATOM 0 HH TYR A 51 2.286 9.126 -10.470 1.00 0.00 H new ATOM 790 N MET A 52 -4.362 6.124 -5.477 1.00 0.00 N ATOM 791 CA MET A 52 -5.463 5.377 -4.880 1.00 0.00 C ATOM 792 C MET A 52 -6.214 6.233 -3.864 1.00 0.00 C ATOM 793 O MET A 52 -7.395 6.531 -4.043 1.00 0.00 O ATOM 794 CB MET A 52 -4.941 4.106 -4.207 1.00 0.00 C ATOM 795 CG MET A 52 -6.029 3.277 -3.546 1.00 0.00 C ATOM 796 SD MET A 52 -5.411 2.288 -2.171 1.00 0.00 S ATOM 797 CE MET A 52 -4.922 3.573 -1.023 1.00 0.00 C ATOM 0 H MET A 52 -3.472 5.627 -5.488 1.00 0.00 H new ATOM 0 HA MET A 52 -6.154 5.100 -5.676 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.431 3.494 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.199 4.380 -3.457 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.817 3.939 -3.187 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.480 2.618 -4.288 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.012 3.202 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.888 3.859 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.568 4.441 -1.152 1.00 0.00 H new ATOM 807 N TRP A 53 -5.521 6.625 -2.801 1.00 0.00 N ATOM 808 CA TRP A 53 -6.123 7.445 -1.757 1.00 0.00 C ATOM 809 C TRP A 53 -7.000 8.537 -2.361 1.00 0.00 C ATOM 810 O TRP A 53 -8.033 8.900 -1.798 1.00 0.00 O ATOM 811 CB TRP A 53 -5.036 8.074 -0.883 1.00 0.00 C ATOM 812 CG TRP A 53 -5.561 8.651 0.395 1.00 0.00 C ATOM 813 CD1 TRP A 53 -5.980 7.960 1.496 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.726 10.040 0.705 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.397 8.835 2.471 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.249 10.117 2.010 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.480 11.225 0.006 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -6.531 11.332 2.629 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.761 12.431 0.621 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.281 12.477 1.921 1.00 0.00 C ATOM 0 H TRP A 53 -4.542 6.388 -2.640 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.749 6.801 -1.140 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.285 7.319 -0.651 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.534 8.859 -1.449 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.983 6.884 1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.758 8.573 3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.078 11.199 -0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.932 11.370 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.576 13.353 0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.489 13.435 2.374 1.00 0.00 H new ATOM 831 N LYS A 54 -6.583 9.058 -3.510 1.00 0.00 N ATOM 832 CA LYS A 54 -7.331 10.106 -4.192 1.00 0.00 C ATOM 833 C LYS A 54 -8.582 9.539 -4.856 1.00 0.00 C ATOM 834 O LYS A 54 -9.641 10.169 -4.850 1.00 0.00 O ATOM 835 CB LYS A 54 -6.451 10.791 -5.240 1.00 0.00 C ATOM 836 CG LYS A 54 -7.126 11.962 -5.931 1.00 0.00 C ATOM 837 CD LYS A 54 -6.916 13.258 -5.166 1.00 0.00 C ATOM 838 CE LYS A 54 -7.260 14.471 -6.018 1.00 0.00 C ATOM 839 NZ LYS A 54 -8.724 14.747 -6.024 1.00 0.00 N ATOM 0 H LYS A 54 -5.729 8.770 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.638 10.841 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.536 11.141 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.157 10.057 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.730 12.067 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.194 11.763 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.534 13.256 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.878 13.324 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.727 15.344 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.917 14.306 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.918 15.580 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.231 13.924 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.047 14.929 -5.052 1.00 0.00 H new ATOM 853 N THR A 55 -8.454 8.345 -5.426 1.00 0.00 N ATOM 854 CA THR A 55 -9.573 7.693 -6.093 1.00 0.00 C ATOM 855 C THR A 55 -10.686 7.363 -5.105 1.00 0.00 C ATOM 856 O THR A 55 -11.864 7.591 -5.380 1.00 0.00 O ATOM 857 CB THR A 55 -9.130 6.398 -6.801 1.00 0.00 C ATOM 858 OG1 THR A 55 -8.665 5.448 -5.836 1.00 0.00 O ATOM 859 CG2 THR A 55 -8.028 6.684 -7.809 1.00 0.00 C ATOM 0 H THR A 55 -7.586 7.810 -5.439 1.00 0.00 H new ATOM 0 HA THR A 55 -9.948 8.395 -6.838 1.00 0.00 H new ATOM 0 HB THR A 55 -9.989 5.987 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.203 5.918 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.731 5.755 -8.297 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.393 7.386 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.169 7.115 -7.296 1.00 0.00 H new ATOM 867 N THR A 56 -10.305 6.823 -3.951 1.00 0.00 N ATOM 868 CA THR A 56 -11.270 6.461 -2.921 1.00 0.00 C ATOM 869 C THR A 56 -12.358 7.519 -2.790 1.00 0.00 C ATOM 870 O THR A 56 -12.184 8.659 -3.223 1.00 0.00 O ATOM 871 CB THR A 56 -10.588 6.270 -1.554 1.00 0.00 C ATOM 872 OG1 THR A 56 -9.984 7.498 -1.132 1.00 0.00 O ATOM 873 CG2 THR A 56 -9.531 5.178 -1.622 1.00 0.00 C ATOM 0 H THR A 56 -9.334 6.627 -3.707 1.00 0.00 H new ATOM 0 HA THR A 56 -11.721 5.517 -3.229 1.00 0.00 H new ATOM 0 HB THR A 56 -11.349 5.972 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.316 7.778 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.064 5.062 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.998 4.237 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.773 5.451 -2.356 1.00 0.00 H new ATOM 881 N ASP A 57 -13.481 7.136 -2.191 1.00 0.00 N ATOM 882 CA ASP A 57 -14.599 8.055 -2.002 1.00 0.00 C ATOM 883 C ASP A 57 -14.359 8.959 -0.798 1.00 0.00 C ATOM 884 O ASP A 57 -15.245 9.146 0.037 1.00 0.00 O ATOM 885 CB ASP A 57 -15.901 7.276 -1.820 1.00 0.00 C ATOM 886 CG ASP A 57 -15.733 6.070 -0.915 1.00 0.00 C ATOM 887 OD1 ASP A 57 -15.816 6.238 0.320 1.00 0.00 O ATOM 888 OD2 ASP A 57 -15.519 4.959 -1.443 1.00 0.00 O ATOM 0 H ASP A 57 -13.641 6.196 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.681 8.679 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.661 7.937 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.264 6.948 -2.794 1.00 0.00 H new ATOM 893 N ARG A 58 -13.156 9.519 -0.713 1.00 0.00 N ATOM 894 CA ARG A 58 -12.800 10.403 0.390 1.00 0.00 C ATOM 895 C ARG A 58 -12.874 11.865 -0.039 1.00 0.00 C ATOM 896 O ARG A 58 -13.651 12.646 0.512 1.00 0.00 O ATOM 897 CB ARG A 58 -11.393 10.080 0.897 1.00 0.00 C ATOM 898 CG ARG A 58 -11.196 10.373 2.375 1.00 0.00 C ATOM 899 CD ARG A 58 -11.043 11.864 2.631 1.00 0.00 C ATOM 900 NE ARG A 58 -12.335 12.535 2.748 1.00 0.00 N ATOM 901 CZ ARG A 58 -12.513 13.679 3.400 1.00 0.00 C ATOM 902 NH1 ARG A 58 -11.487 14.277 3.988 1.00 0.00 N ATOM 903 NH2 ARG A 58 -13.720 14.228 3.463 1.00 0.00 N ATOM 0 H ARG A 58 -12.412 9.376 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.515 10.242 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.183 9.026 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.668 10.655 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.047 9.991 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.312 9.848 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.471 12.018 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.473 12.315 1.819 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.145 12.102 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.558 13.859 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.627 15.155 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.512 13.772 3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.855 15.106 3.964 1.00 0.00 H new ATOM 917 N TYR A 59 -12.062 12.229 -1.024 1.00 0.00 N ATOM 918 CA TYR A 59 -12.032 13.598 -1.524 1.00 0.00 C ATOM 919 C TYR A 59 -12.224 13.629 -3.038 1.00 0.00 C ATOM 920 O TYR A 59 -11.258 13.593 -3.799 1.00 0.00 O ATOM 921 CB TYR A 59 -10.710 14.272 -1.153 1.00 0.00 C ATOM 922 CG TYR A 59 -10.811 15.775 -1.024 1.00 0.00 C ATOM 923 CD1 TYR A 59 -11.125 16.567 -2.121 1.00 0.00 C ATOM 924 CD2 TYR A 59 -10.592 16.402 0.196 1.00 0.00 C ATOM 925 CE1 TYR A 59 -11.217 17.940 -2.008 1.00 0.00 C ATOM 926 CE2 TYR A 59 -10.684 17.775 0.319 1.00 0.00 C ATOM 927 CZ TYR A 59 -10.996 18.540 -0.785 1.00 0.00 C ATOM 928 OH TYR A 59 -11.089 19.908 -0.668 1.00 0.00 O ATOM 0 H TYR A 59 -11.415 11.595 -1.493 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.853 14.145 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.353 13.858 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.964 14.030 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.300 16.101 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.346 15.806 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.461 18.541 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.512 18.247 1.275 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.906 20.170 0.258 1.00 0.00 H new ATOM 938 N VAL A 60 -13.481 13.696 -3.467 1.00 0.00 N ATOM 939 CA VAL A 60 -13.802 13.734 -4.889 1.00 0.00 C ATOM 940 C VAL A 60 -15.104 14.485 -5.138 1.00 0.00 C ATOM 941 O VAL A 60 -16.096 14.276 -4.440 1.00 0.00 O ATOM 942 CB VAL A 60 -13.920 12.314 -5.475 1.00 0.00 C ATOM 943 CG1 VAL A 60 -15.090 11.573 -4.846 1.00 0.00 C ATOM 944 CG2 VAL A 60 -14.068 12.374 -6.987 1.00 0.00 C ATOM 0 H VAL A 60 -14.293 13.725 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.984 14.257 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.007 11.766 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.158 10.572 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.938 11.500 -3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -16.014 12.116 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.150 11.363 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.965 12.938 -7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.195 12.864 -7.419 1.00 0.00 H new ATOM 954 N GLN A 61 -15.095 15.360 -6.138 1.00 0.00 N ATOM 955 CA GLN A 61 -16.276 16.143 -6.480 1.00 0.00 C ATOM 956 C GLN A 61 -16.765 16.942 -5.277 1.00 0.00 C ATOM 957 O GLN A 61 -17.967 17.028 -5.025 1.00 0.00 O ATOM 958 CB GLN A 61 -17.391 15.228 -6.987 1.00 0.00 C ATOM 959 CG GLN A 61 -17.158 14.708 -8.396 1.00 0.00 C ATOM 960 CD GLN A 61 -17.723 15.630 -9.459 1.00 0.00 C ATOM 961 OE1 GLN A 61 -18.051 16.785 -9.185 1.00 0.00 O ATOM 962 NE2 GLN A 61 -17.840 15.124 -10.682 1.00 0.00 N ATOM 0 H GLN A 61 -14.282 15.545 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 61 -16.002 16.842 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -17.491 14.381 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.336 15.771 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.088 14.583 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -17.613 13.723 -8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.556 14.162 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.214 15.698 -11.438 1.00 0.00 H new ATOM 971 N GLN A 62 -15.827 17.525 -4.537 1.00 0.00 N ATOM 972 CA GLN A 62 -16.164 18.316 -3.359 1.00 0.00 C ATOM 973 C GLN A 62 -16.963 19.555 -3.748 1.00 0.00 C ATOM 974 O GLN A 62 -16.429 20.489 -4.349 1.00 0.00 O ATOM 975 CB GLN A 62 -14.893 18.727 -2.614 1.00 0.00 C ATOM 976 CG GLN A 62 -15.144 19.172 -1.183 1.00 0.00 C ATOM 977 CD GLN A 62 -16.120 20.329 -1.095 1.00 0.00 C ATOM 978 OE1 GLN A 62 -15.821 21.442 -1.529 1.00 0.00 O ATOM 979 NE2 GLN A 62 -17.294 20.071 -0.531 1.00 0.00 N ATOM 0 H GLN A 62 -14.828 17.464 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.778 17.701 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.198 17.888 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.409 19.538 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.530 18.331 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.198 19.464 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.499 19.133 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.991 20.810 -0.444 1.00 0.00 H new ATOM 988 N LYS A 63 -18.246 19.559 -3.400 1.00 0.00 N ATOM 989 CA LYS A 63 -19.119 20.684 -3.711 1.00 0.00 C ATOM 990 C LYS A 63 -18.397 22.011 -3.494 1.00 0.00 C ATOM 991 O LYS A 63 -17.983 22.327 -2.378 1.00 0.00 O ATOM 992 CB LYS A 63 -20.381 20.630 -2.846 1.00 0.00 C ATOM 993 CG LYS A 63 -21.504 21.520 -3.352 1.00 0.00 C ATOM 994 CD LYS A 63 -22.166 20.932 -4.587 1.00 0.00 C ATOM 995 CE LYS A 63 -23.066 19.760 -4.232 1.00 0.00 C ATOM 996 NZ LYS A 63 -23.411 18.943 -5.430 1.00 0.00 N ATOM 0 H LYS A 63 -18.704 18.795 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.402 20.613 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.737 19.601 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.126 20.924 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -22.248 21.651 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.109 22.509 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.751 21.702 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.400 20.604 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.569 19.131 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.981 20.131 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -24.026 18.154 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.908 19.537 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.540 18.567 -5.857 1.00 0.00 H new ATOM 1010 N ARG A 64 -18.251 22.782 -4.565 1.00 0.00 N ATOM 1011 CA ARG A 64 -17.579 24.073 -4.492 1.00 0.00 C ATOM 1012 C ARG A 64 -18.452 25.176 -5.085 1.00 0.00 C ATOM 1013 O ARG A 64 -19.314 24.914 -5.924 1.00 0.00 O ATOM 1014 CB ARG A 64 -16.239 24.019 -5.227 1.00 0.00 C ATOM 1015 CG ARG A 64 -15.205 24.992 -4.684 1.00 0.00 C ATOM 1016 CD ARG A 64 -14.698 24.561 -3.317 1.00 0.00 C ATOM 1017 NE ARG A 64 -14.138 25.680 -2.563 1.00 0.00 N ATOM 1018 CZ ARG A 64 -14.059 25.707 -1.238 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -14.501 24.681 -0.523 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -13.536 26.762 -0.624 1.00 0.00 N ATOM 0 H ARG A 64 -18.589 22.535 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.400 24.300 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.841 23.006 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -16.405 24.231 -6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.368 25.060 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.643 25.988 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.516 24.116 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.938 23.789 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.788 26.485 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.903 23.869 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.439 24.704 0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.195 27.553 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.476 26.782 0.394 1.00 0.00 H new ATOM 1034 N SER A 65 -18.223 26.408 -4.643 1.00 0.00 N ATOM 1035 CA SER A 65 -18.992 27.549 -5.127 1.00 0.00 C ATOM 1036 C SER A 65 -18.740 27.783 -6.613 1.00 0.00 C ATOM 1037 O SER A 65 -17.679 28.269 -7.006 1.00 0.00 O ATOM 1038 CB SER A 65 -18.632 28.807 -4.333 1.00 0.00 C ATOM 1039 OG SER A 65 -19.352 28.863 -3.114 1.00 0.00 O ATOM 0 H SER A 65 -17.511 26.642 -3.951 1.00 0.00 H new ATOM 0 HA SER A 65 -20.050 27.329 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.562 28.818 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 -18.851 29.693 -4.930 1.00 0.00 H new ATOM 0 HG SER A 65 -19.103 29.675 -2.624 1.00 0.00 H new ATOM 1045 N GLY A 66 -19.723 27.431 -7.436 1.00 0.00 N ATOM 1046 CA GLY A 66 -19.589 27.610 -8.870 1.00 0.00 C ATOM 1047 C GLY A 66 -20.060 26.399 -9.652 1.00 0.00 C ATOM 1048 O GLY A 66 -20.006 25.266 -9.173 1.00 0.00 O ATOM 0 H GLY A 66 -20.609 27.025 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.162 28.484 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.545 27.812 -9.112 1.00 0.00 H new ATOM 1052 N PRO A 67 -20.535 26.633 -10.884 1.00 0.00 N ATOM 1053 CA PRO A 67 -21.027 25.565 -11.758 1.00 0.00 C ATOM 1054 C PRO A 67 -19.905 24.661 -12.257 1.00 0.00 C ATOM 1055 O PRO A 67 -18.727 24.995 -12.137 1.00 0.00 O ATOM 1056 CB PRO A 67 -21.660 26.325 -12.925 1.00 0.00 C ATOM 1057 CG PRO A 67 -20.955 27.637 -12.950 1.00 0.00 C ATOM 1058 CD PRO A 67 -20.628 27.959 -11.518 1.00 0.00 C ATOM 0 HA PRO A 67 -21.718 24.900 -11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.530 25.788 -13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -22.732 26.455 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -20.049 27.582 -13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -21.585 28.410 -13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.692 28.511 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -21.402 28.572 -11.057 1.00 0.00 H new ATOM 1066 N SER A 68 -20.280 23.515 -12.817 1.00 0.00 N ATOM 1067 CA SER A 68 -19.304 22.561 -13.332 1.00 0.00 C ATOM 1068 C SER A 68 -19.535 22.295 -14.816 1.00 0.00 C ATOM 1069 O SER A 68 -18.588 22.110 -15.580 1.00 0.00 O ATOM 1070 CB SER A 68 -19.381 21.248 -12.549 1.00 0.00 C ATOM 1071 OG SER A 68 -20.671 20.671 -12.645 1.00 0.00 O ATOM 0 H SER A 68 -21.252 23.225 -12.926 1.00 0.00 H new ATOM 0 HA SER A 68 -18.311 22.992 -13.208 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.637 20.549 -12.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.138 21.431 -11.502 1.00 0.00 H new ATOM 0 HG SER A 68 -20.693 19.833 -12.138 1.00 0.00 H new ATOM 1077 N SER A 69 -20.802 22.276 -15.217 1.00 0.00 N ATOM 1078 CA SER A 69 -21.160 22.029 -16.609 1.00 0.00 C ATOM 1079 C SER A 69 -20.425 22.992 -17.539 1.00 0.00 C ATOM 1080 O SER A 69 -20.568 24.208 -17.429 1.00 0.00 O ATOM 1081 CB SER A 69 -22.671 22.169 -16.802 1.00 0.00 C ATOM 1082 OG SER A 69 -23.337 20.954 -16.507 1.00 0.00 O ATOM 0 H SER A 69 -21.598 22.429 -14.598 1.00 0.00 H new ATOM 0 HA SER A 69 -20.862 21.011 -16.860 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.051 22.962 -16.158 1.00 0.00 H new ATOM 0 HB3 SER A 69 -22.884 22.464 -17.830 1.00 0.00 H new ATOM 0 HG SER A 69 -24.302 21.070 -16.636 1.00 0.00 H new ATOM 1088 N GLY A 70 -19.638 22.435 -18.454 1.00 0.00 N ATOM 1089 CA GLY A 70 -18.892 23.258 -19.389 1.00 0.00 C ATOM 1090 C GLY A 70 -17.563 23.717 -18.824 1.00 0.00 C ATOM 1091 O GLY A 70 -16.808 24.424 -19.493 1.00 0.00 O ATOM 0 H GLY A 70 -19.503 21.430 -18.565 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.718 22.695 -20.306 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.489 24.129 -19.658 1.00 0.00 H new TER 1095 GLY A 70