USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 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 50 HIS HD1 : A 50 HIS ND1 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 15 CYS SG : rot 180:sc= 0.908 USER MOD Set 1.2: A 17 THR OG1 : rot 18:sc= 1.07 USER MOD Set 1.3: A 24 GLN : amide:sc= -0.0163 X(o=2,f=1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.849 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -151:sc= -0.427 (180deg=-1.24!) USER MOD Single : A 33 GLN : amide:sc= 0.309 X(o=0.31,f=-0.017) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.39) USER MOD Single : A 49 ASN : amide:sc= -0.164 X(o=-0.16,f=0.06) USER MOD Single : A 51 SER OG : rot 152:sc= -1.66! USER MOD Single : A 54 ASN :FLIP amide:sc= -0.743 F(o=-3.1,f=-0.74) USER MOD Single : A 57 MET CE :methyl -157:sc= -0.111 (180deg=-0.987) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -0.364 (180deg=-1.61) USER MOD Single : A 63 GLN : amide:sc= -0.707 K(o=-0.71,f=-4.9!) USER MOD Single : A 64 ASN : amide:sc= -0.088 K(o=-0.088,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -0.937 K(o=-0.94,f=-4.6!) USER MOD Single : A 71 GLN : amide:sc= -6.19! C(o=-6.2!,f=-8.2!) USER MOD Single : A 72 GLN : amide:sc= -0.0695 X(o=-0.069,f=-0.57) USER MOD Single : A 77 GLN : amide:sc= -2.49! C(o=-2.5!,f=-6.2!) USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00677) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.689 -39.233 18.194 1.00 0.00 N ATOM 2 CA GLY A 1 -7.049 -37.835 18.047 1.00 0.00 C ATOM 3 C GLY A 1 -6.165 -36.919 18.870 1.00 0.00 C ATOM 4 O GLY A 1 -6.583 -36.413 19.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.322 -39.818 17.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.706 -39.373 17.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.780 -39.512 19.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.980 -37.554 16.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.088 -37.697 18.346 1.00 0.00 H new ATOM 8 N SER A 2 -4.939 -36.707 18.403 1.00 0.00 N ATOM 9 CA SER A 2 -3.991 -35.849 19.106 1.00 0.00 C ATOM 10 C SER A 2 -2.899 -35.358 18.161 1.00 0.00 C ATOM 11 O SER A 2 -2.533 -36.044 17.207 1.00 0.00 O ATOM 12 CB SER A 2 -3.364 -36.603 20.281 1.00 0.00 C ATOM 13 OG SER A 2 -4.234 -36.617 21.400 1.00 0.00 O ATOM 0 H SER A 2 -4.578 -37.117 17.541 1.00 0.00 H new ATOM 0 HA SER A 2 -4.534 -34.984 19.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.136 -37.626 19.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.420 -36.133 20.556 1.00 0.00 H new ATOM 0 HG SER A 2 -5.162 -36.550 21.093 1.00 0.00 H new ATOM 19 N SER A 3 -2.382 -34.164 18.435 1.00 0.00 N ATOM 20 CA SER A 3 -1.333 -33.578 17.608 1.00 0.00 C ATOM 21 C SER A 3 -0.050 -33.389 18.411 1.00 0.00 C ATOM 22 O SER A 3 -0.027 -33.593 19.624 1.00 0.00 O ATOM 23 CB SER A 3 -1.795 -32.235 17.039 1.00 0.00 C ATOM 24 OG SER A 3 -2.197 -31.354 18.074 1.00 0.00 O ATOM 0 H SER A 3 -2.672 -33.584 19.222 1.00 0.00 H new ATOM 0 HA SER A 3 -1.128 -34.262 16.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.986 -31.782 16.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.624 -32.394 16.350 1.00 0.00 H new ATOM 0 HG SER A 3 -2.486 -30.502 17.685 1.00 0.00 H new ATOM 30 N GLY A 4 1.019 -32.997 17.723 1.00 0.00 N ATOM 31 CA GLY A 4 2.292 -32.787 18.387 1.00 0.00 C ATOM 32 C GLY A 4 3.371 -32.311 17.435 1.00 0.00 C ATOM 33 O GLY A 4 4.129 -31.395 17.754 1.00 0.00 O ATOM 0 H GLY A 4 1.026 -32.821 16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.166 -32.054 19.184 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.611 -33.717 18.857 1.00 0.00 H new ATOM 37 N SER A 5 3.441 -32.934 16.263 1.00 0.00 N ATOM 38 CA SER A 5 4.439 -32.573 15.263 1.00 0.00 C ATOM 39 C SER A 5 4.709 -31.071 15.284 1.00 0.00 C ATOM 40 O SER A 5 3.848 -30.269 14.923 1.00 0.00 O ATOM 41 CB SER A 5 3.973 -32.999 13.870 1.00 0.00 C ATOM 42 OG SER A 5 3.863 -34.409 13.778 1.00 0.00 O ATOM 0 H SER A 5 2.818 -33.692 15.983 1.00 0.00 H new ATOM 0 HA SER A 5 5.365 -33.095 15.504 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.009 -32.541 13.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.677 -32.636 13.121 1.00 0.00 H new ATOM 0 HG SER A 5 3.562 -34.656 12.879 1.00 0.00 H new ATOM 48 N SER A 6 5.912 -30.699 15.711 1.00 0.00 N ATOM 49 CA SER A 6 6.296 -29.294 15.783 1.00 0.00 C ATOM 50 C SER A 6 7.540 -29.027 14.942 1.00 0.00 C ATOM 51 O SER A 6 8.653 -29.382 15.328 1.00 0.00 O ATOM 52 CB SER A 6 6.552 -28.887 17.236 1.00 0.00 C ATOM 53 OG SER A 6 6.475 -27.481 17.393 1.00 0.00 O ATOM 0 H SER A 6 6.637 -31.351 16.012 1.00 0.00 H new ATOM 0 HA SER A 6 5.475 -28.698 15.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.822 -29.369 17.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.536 -29.237 17.547 1.00 0.00 H new ATOM 0 HG SER A 6 6.641 -27.247 18.330 1.00 0.00 H new ATOM 59 N GLY A 7 7.342 -28.396 13.787 1.00 0.00 N ATOM 60 CA GLY A 7 8.456 -28.092 12.908 1.00 0.00 C ATOM 61 C GLY A 7 8.092 -27.080 11.841 1.00 0.00 C ATOM 62 O GLY A 7 8.462 -25.910 11.933 1.00 0.00 O ATOM 0 H GLY A 7 6.431 -28.091 13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.288 -27.709 13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.800 -29.010 12.432 1.00 0.00 H new ATOM 66 N MET A 8 7.366 -27.531 10.823 1.00 0.00 N ATOM 67 CA MET A 8 6.953 -26.655 9.732 1.00 0.00 C ATOM 68 C MET A 8 8.003 -25.581 9.469 1.00 0.00 C ATOM 69 O MET A 8 7.683 -24.396 9.380 1.00 0.00 O ATOM 70 CB MET A 8 5.608 -26.002 10.056 1.00 0.00 C ATOM 71 CG MET A 8 5.609 -25.223 11.361 1.00 0.00 C ATOM 72 SD MET A 8 3.948 -24.925 11.994 1.00 0.00 S ATOM 73 CE MET A 8 3.884 -26.102 13.343 1.00 0.00 C ATOM 0 H MET A 8 7.052 -28.497 10.731 1.00 0.00 H new ATOM 0 HA MET A 8 6.847 -27.261 8.832 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.334 -25.331 9.242 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.841 -26.775 10.104 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.185 -25.772 12.107 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.112 -24.268 11.209 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.914 -26.038 13.836 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.028 -27.110 12.954 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.671 -25.875 14.062 1.00 0.00 H new ATOM 83 N TRP A 9 9.256 -26.003 9.347 1.00 0.00 N ATOM 84 CA TRP A 9 10.354 -25.075 9.095 1.00 0.00 C ATOM 85 C TRP A 9 9.889 -23.903 8.238 1.00 0.00 C ATOM 86 O TRP A 9 9.226 -24.092 7.218 1.00 0.00 O ATOM 87 CB TRP A 9 11.513 -25.799 8.408 1.00 0.00 C ATOM 88 CG TRP A 9 11.841 -27.122 9.031 1.00 0.00 C ATOM 89 CD1 TRP A 9 11.152 -28.291 8.882 1.00 0.00 C ATOM 90 CD2 TRP A 9 12.938 -27.409 9.904 1.00 0.00 C ATOM 91 NE1 TRP A 9 11.755 -29.288 9.610 1.00 0.00 N ATOM 92 CE2 TRP A 9 12.854 -28.773 10.245 1.00 0.00 C ATOM 93 CE3 TRP A 9 13.986 -26.647 10.430 1.00 0.00 C ATOM 94 CZ2 TRP A 9 13.776 -29.388 11.088 1.00 0.00 C ATOM 95 CZ3 TRP A 9 14.900 -27.259 11.266 1.00 0.00 C ATOM 96 CH2 TRP A 9 14.791 -28.618 11.588 1.00 0.00 C ATOM 0 H TRP A 9 9.538 -26.981 9.418 1.00 0.00 H new ATOM 0 HA TRP A 9 10.696 -24.686 10.054 1.00 0.00 H new ATOM 0 HB2 TRP A 9 11.265 -25.952 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 9 12.398 -25.163 8.437 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.264 -28.414 8.280 1.00 0.00 H new ATOM 0 HE1 TRP A 9 11.436 -30.255 9.668 1.00 0.00 H new ATOM 0 HE3 TRP A 9 14.079 -25.599 10.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.693 -30.435 11.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 15.713 -26.680 11.678 1.00 0.00 H new ATOM 0 HH2 TRP A 9 15.522 -29.067 12.244 1.00 0.00 H new ATOM 107 N SER A 10 10.243 -22.692 8.656 1.00 0.00 N ATOM 108 CA SER A 10 9.859 -21.489 7.928 1.00 0.00 C ATOM 109 C SER A 10 10.886 -21.155 6.850 1.00 0.00 C ATOM 110 O SER A 10 12.089 -21.133 7.110 1.00 0.00 O ATOM 111 CB SER A 10 9.712 -20.309 8.890 1.00 0.00 C ATOM 112 OG SER A 10 9.365 -19.124 8.195 1.00 0.00 O ATOM 0 H SER A 10 10.795 -22.518 9.496 1.00 0.00 H new ATOM 0 HA SER A 10 8.900 -21.677 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.948 -20.535 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.647 -20.157 9.430 1.00 0.00 H new ATOM 0 HG SER A 10 9.275 -18.385 8.833 1.00 0.00 H new ATOM 118 N TRP A 11 10.403 -20.897 5.641 1.00 0.00 N ATOM 119 CA TRP A 11 11.278 -20.564 4.523 1.00 0.00 C ATOM 120 C TRP A 11 11.508 -19.059 4.440 1.00 0.00 C ATOM 121 O TRP A 11 11.083 -18.308 5.318 1.00 0.00 O ATOM 122 CB TRP A 11 10.680 -21.075 3.211 1.00 0.00 C ATOM 123 CG TRP A 11 9.184 -21.160 3.233 1.00 0.00 C ATOM 124 CD1 TRP A 11 8.302 -20.118 3.199 1.00 0.00 C ATOM 125 CD2 TRP A 11 8.395 -22.353 3.298 1.00 0.00 C ATOM 126 NE1 TRP A 11 7.013 -20.591 3.238 1.00 0.00 N ATOM 127 CE2 TRP A 11 7.042 -21.959 3.298 1.00 0.00 C ATOM 128 CE3 TRP A 11 8.699 -23.716 3.354 1.00 0.00 C ATOM 129 CZ2 TRP A 11 5.999 -22.879 3.353 1.00 0.00 C ATOM 130 CZ3 TRP A 11 7.662 -24.628 3.409 1.00 0.00 C ATOM 131 CH2 TRP A 11 6.325 -24.207 3.407 1.00 0.00 C ATOM 0 H TRP A 11 9.410 -20.912 5.409 1.00 0.00 H new ATOM 0 HA TRP A 11 12.239 -21.050 4.689 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.987 -20.416 2.399 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.090 -22.061 2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.578 -19.075 3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.170 -20.016 3.224 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.726 -24.051 3.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.968 -22.556 3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.886 -25.684 3.454 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.537 -24.945 3.449 1.00 0.00 H new ATOM 142 N ASP A 12 12.181 -18.625 3.380 1.00 0.00 N ATOM 143 CA ASP A 12 12.465 -17.209 3.182 1.00 0.00 C ATOM 144 C ASP A 12 11.723 -16.671 1.963 1.00 0.00 C ATOM 145 O ASP A 12 12.286 -15.928 1.159 1.00 0.00 O ATOM 146 CB ASP A 12 13.970 -16.987 3.018 1.00 0.00 C ATOM 147 CG ASP A 12 14.773 -17.608 4.144 1.00 0.00 C ATOM 148 OD1 ASP A 12 14.586 -17.190 5.307 1.00 0.00 O ATOM 149 OD2 ASP A 12 15.587 -18.512 3.863 1.00 0.00 O ATOM 0 H ASP A 12 12.540 -19.234 2.645 1.00 0.00 H new ATOM 0 HA ASP A 12 12.120 -16.668 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.295 -17.410 2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.174 -15.917 2.977 1.00 0.00 H new ATOM 154 N VAL A 13 10.456 -17.051 1.832 1.00 0.00 N ATOM 155 CA VAL A 13 9.637 -16.607 0.711 1.00 0.00 C ATOM 156 C VAL A 13 9.096 -15.202 0.948 1.00 0.00 C ATOM 157 O VAL A 13 7.928 -14.922 0.680 1.00 0.00 O ATOM 158 CB VAL A 13 8.456 -17.565 0.465 1.00 0.00 C ATOM 159 CG1 VAL A 13 8.947 -18.999 0.341 1.00 0.00 C ATOM 160 CG2 VAL A 13 7.428 -17.439 1.579 1.00 0.00 C ATOM 0 H VAL A 13 9.975 -17.665 2.489 1.00 0.00 H new ATOM 0 HA VAL A 13 10.281 -16.602 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 13 7.977 -17.289 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.098 -19.660 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.643 -19.074 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.453 -19.291 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.600 -18.123 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.893 -17.688 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.053 -16.416 1.614 1.00 0.00 H new ATOM 170 N GLU A 14 9.955 -14.321 1.452 1.00 0.00 N ATOM 171 CA GLU A 14 9.563 -12.943 1.725 1.00 0.00 C ATOM 172 C GLU A 14 9.855 -12.046 0.526 1.00 0.00 C ATOM 173 O GLU A 14 11.013 -11.801 0.188 1.00 0.00 O ATOM 174 CB GLU A 14 10.296 -12.416 2.961 1.00 0.00 C ATOM 175 CG GLU A 14 9.896 -13.114 4.250 1.00 0.00 C ATOM 176 CD GLU A 14 10.414 -12.402 5.484 1.00 0.00 C ATOM 177 OE1 GLU A 14 10.299 -11.160 5.544 1.00 0.00 O ATOM 178 OE2 GLU A 14 10.936 -13.086 6.389 1.00 0.00 O ATOM 0 H GLU A 14 10.926 -14.537 1.679 1.00 0.00 H new ATOM 0 HA GLU A 14 8.490 -12.929 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.370 -12.532 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.101 -11.348 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.809 -13.178 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.276 -14.136 4.238 1.00 0.00 H new ATOM 185 N CYS A 15 8.796 -11.560 -0.113 1.00 0.00 N ATOM 186 CA CYS A 15 8.938 -10.691 -1.276 1.00 0.00 C ATOM 187 C CYS A 15 9.440 -9.310 -0.865 1.00 0.00 C ATOM 188 O CYS A 15 9.769 -9.079 0.299 1.00 0.00 O ATOM 189 CB CYS A 15 7.602 -10.563 -2.009 1.00 0.00 C ATOM 190 SG CYS A 15 6.275 -9.850 -1.008 1.00 0.00 S ATOM 0 H CYS A 15 7.831 -11.753 0.154 1.00 0.00 H new ATOM 0 HA CYS A 15 9.671 -11.140 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.744 -9.946 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.293 -11.550 -2.353 1.00 0.00 H new ATOM 0 HG CYS A 15 5.187 -9.781 -1.716 1.00 0.00 H new ATOM 196 N ASP A 16 9.496 -8.396 -1.827 1.00 0.00 N ATOM 197 CA ASP A 16 9.959 -7.038 -1.566 1.00 0.00 C ATOM 198 C ASP A 16 8.850 -6.198 -0.939 1.00 0.00 C ATOM 199 O ASP A 16 8.725 -5.006 -1.220 1.00 0.00 O ATOM 200 CB ASP A 16 10.442 -6.383 -2.861 1.00 0.00 C ATOM 201 CG ASP A 16 11.538 -5.364 -2.621 1.00 0.00 C ATOM 202 OD1 ASP A 16 12.259 -5.496 -1.610 1.00 0.00 O ATOM 203 OD2 ASP A 16 11.674 -4.433 -3.443 1.00 0.00 O ATOM 0 H ASP A 16 9.226 -8.571 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 16 10.791 -7.092 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.809 -7.153 -3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.600 -5.897 -3.355 1.00 0.00 H new ATOM 208 N THR A 17 8.046 -6.828 -0.088 1.00 0.00 N ATOM 209 CA THR A 17 6.947 -6.140 0.577 1.00 0.00 C ATOM 210 C THR A 17 7.301 -4.684 0.860 1.00 0.00 C ATOM 211 O THR A 17 8.207 -4.396 1.642 1.00 0.00 O ATOM 212 CB THR A 17 6.570 -6.832 1.900 1.00 0.00 C ATOM 213 OG1 THR A 17 6.010 -8.123 1.636 1.00 0.00 O ATOM 214 CG2 THR A 17 5.573 -5.992 2.685 1.00 0.00 C ATOM 0 H THR A 17 8.136 -7.814 0.157 1.00 0.00 H new ATOM 0 HA THR A 17 6.094 -6.178 -0.100 1.00 0.00 H new ATOM 0 HB THR A 17 7.476 -6.945 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.245 -8.402 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.322 -6.501 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.013 -5.021 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.669 -5.852 2.092 1.00 0.00 H new ATOM 222 N CYS A 18 6.580 -3.770 0.220 1.00 0.00 N ATOM 223 CA CYS A 18 6.817 -2.343 0.403 1.00 0.00 C ATOM 224 C CYS A 18 7.006 -2.008 1.880 1.00 0.00 C ATOM 225 O CYS A 18 6.073 -2.116 2.675 1.00 0.00 O ATOM 226 CB CYS A 18 5.653 -1.533 -0.170 1.00 0.00 C ATOM 227 SG CYS A 18 5.767 0.258 0.142 1.00 0.00 S ATOM 0 H CYS A 18 5.826 -3.992 -0.430 1.00 0.00 H new ATOM 0 HA CYS A 18 7.730 -2.081 -0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.603 -1.701 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.721 -1.906 0.255 1.00 0.00 H new ATOM 232 N ALA A 19 8.219 -1.601 2.238 1.00 0.00 N ATOM 233 CA ALA A 19 8.530 -1.248 3.618 1.00 0.00 C ATOM 234 C ALA A 19 7.868 0.069 4.010 1.00 0.00 C ATOM 235 O ALA A 19 7.442 0.244 5.152 1.00 0.00 O ATOM 236 CB ALA A 19 10.036 -1.163 3.815 1.00 0.00 C ATOM 0 H ALA A 19 9.003 -1.507 1.592 1.00 0.00 H new ATOM 0 HA ALA A 19 8.134 -2.031 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.253 -0.899 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.488 -2.128 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.447 -0.402 3.152 1.00 0.00 H new ATOM 242 N ILE A 20 7.787 0.991 3.057 1.00 0.00 N ATOM 243 CA ILE A 20 7.176 2.292 3.304 1.00 0.00 C ATOM 244 C ILE A 20 5.861 2.147 4.061 1.00 0.00 C ATOM 245 O ILE A 20 5.612 2.855 5.038 1.00 0.00 O ATOM 246 CB ILE A 20 6.918 3.051 1.989 1.00 0.00 C ATOM 247 CG1 ILE A 20 8.225 3.231 1.214 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.275 4.400 2.274 1.00 0.00 C ATOM 249 CD1 ILE A 20 8.026 3.383 -0.278 1.00 0.00 C ATOM 0 H ILE A 20 8.136 0.862 2.107 1.00 0.00 H new ATOM 0 HA ILE A 20 7.880 2.861 3.911 1.00 0.00 H new ATOM 0 HB ILE A 20 6.232 2.465 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.746 4.110 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.870 2.373 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.099 4.925 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.326 4.249 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.939 4.994 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.994 3.506 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.533 2.494 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.407 4.258 -0.475 1.00 0.00 H new ATOM 261 N CYS A 21 5.021 1.224 3.605 1.00 0.00 N ATOM 262 CA CYS A 21 3.730 0.984 4.239 1.00 0.00 C ATOM 263 C CYS A 21 3.647 -0.441 4.782 1.00 0.00 C ATOM 264 O CYS A 21 2.691 -0.799 5.470 1.00 0.00 O ATOM 265 CB CYS A 21 2.595 1.228 3.243 1.00 0.00 C ATOM 266 SG CYS A 21 2.618 0.115 1.801 1.00 0.00 S ATOM 0 H CYS A 21 5.211 0.630 2.798 1.00 0.00 H new ATOM 0 HA CYS A 21 3.628 1.679 5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.642 1.116 3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.648 2.259 2.893 1.00 0.00 H new ATOM 271 N ARG A 22 4.655 -1.247 4.467 1.00 0.00 N ATOM 272 CA ARG A 22 4.696 -2.632 4.921 1.00 0.00 C ATOM 273 C ARG A 22 3.561 -3.441 4.301 1.00 0.00 C ATOM 274 O ARG A 22 2.972 -4.304 4.952 1.00 0.00 O ATOM 275 CB ARG A 22 4.607 -2.693 6.447 1.00 0.00 C ATOM 276 CG ARG A 22 5.698 -1.905 7.153 1.00 0.00 C ATOM 277 CD ARG A 22 7.018 -2.660 7.154 1.00 0.00 C ATOM 278 NE ARG A 22 7.874 -2.264 8.269 1.00 0.00 N ATOM 279 CZ ARG A 22 8.844 -3.029 8.758 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.081 -4.222 8.231 1.00 0.00 N ATOM 281 NH2 ARG A 22 9.580 -2.599 9.775 1.00 0.00 N ATOM 0 H ARG A 22 5.454 -0.965 3.899 1.00 0.00 H new ATOM 0 HA ARG A 22 5.644 -3.065 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.635 -2.313 6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.660 -3.735 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.829 -0.941 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.394 -1.700 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.823 -3.731 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.540 -2.479 6.214 1.00 0.00 H new ATOM 0 HE ARG A 22 7.719 -1.351 8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.518 -4.555 7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.826 -4.807 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.401 -1.681 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.325 -3.187 10.150 1.00 0.00 H new ATOM 295 N VAL A 23 3.258 -3.156 3.038 1.00 0.00 N ATOM 296 CA VAL A 23 2.194 -3.858 2.330 1.00 0.00 C ATOM 297 C VAL A 23 2.727 -4.541 1.076 1.00 0.00 C ATOM 298 O VAL A 23 3.618 -4.021 0.406 1.00 0.00 O ATOM 299 CB VAL A 23 1.056 -2.898 1.935 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.041 -3.647 1.193 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.497 -2.200 3.165 1.00 0.00 C ATOM 0 H VAL A 23 3.734 -2.444 2.484 1.00 0.00 H new ATOM 0 HA VAL A 23 1.803 -4.613 3.012 1.00 0.00 H new ATOM 0 HB VAL A 23 1.461 -2.138 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.836 -2.953 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.372 -4.096 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.446 -4.429 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.306 -1.526 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.107 -2.944 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.289 -1.629 3.651 1.00 0.00 H new ATOM 311 N GLN A 24 2.173 -5.708 0.764 1.00 0.00 N ATOM 312 CA GLN A 24 2.593 -6.463 -0.411 1.00 0.00 C ATOM 313 C GLN A 24 2.810 -5.538 -1.603 1.00 0.00 C ATOM 314 O GLN A 24 1.854 -5.077 -2.227 1.00 0.00 O ATOM 315 CB GLN A 24 1.550 -7.527 -0.759 1.00 0.00 C ATOM 316 CG GLN A 24 1.576 -8.731 0.168 1.00 0.00 C ATOM 317 CD GLN A 24 2.560 -9.793 -0.281 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.558 -10.205 -1.441 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.407 -10.242 0.637 1.00 0.00 N ATOM 0 H GLN A 24 1.433 -6.151 1.308 1.00 0.00 H new ATOM 0 HA GLN A 24 3.538 -6.953 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.558 -7.076 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.714 -7.864 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.835 -8.404 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.578 -9.165 0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.373 -9.872 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.092 -10.957 0.393 1.00 0.00 H new ATOM 328 N VAL A 25 4.074 -5.269 -1.915 1.00 0.00 N ATOM 329 CA VAL A 25 4.418 -4.399 -3.033 1.00 0.00 C ATOM 330 C VAL A 25 3.605 -4.752 -4.274 1.00 0.00 C ATOM 331 O VAL A 25 3.211 -3.874 -5.041 1.00 0.00 O ATOM 332 CB VAL A 25 5.917 -4.486 -3.372 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.342 -5.937 -3.547 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.229 -3.677 -4.622 1.00 0.00 C ATOM 0 H VAL A 25 4.877 -5.642 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 25 4.182 -3.380 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 25 6.484 -4.063 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.405 -5.979 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.156 -6.484 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.770 -6.389 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.293 -3.750 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.653 -4.068 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.964 -2.633 -4.455 1.00 0.00 H new ATOM 344 N MET A 26 3.358 -6.044 -4.464 1.00 0.00 N ATOM 345 CA MET A 26 2.591 -6.513 -5.612 1.00 0.00 C ATOM 346 C MET A 26 1.133 -6.079 -5.506 1.00 0.00 C ATOM 347 O MET A 26 0.490 -5.778 -6.512 1.00 0.00 O ATOM 348 CB MET A 26 2.675 -8.037 -5.720 1.00 0.00 C ATOM 349 CG MET A 26 4.099 -8.566 -5.770 1.00 0.00 C ATOM 350 SD MET A 26 4.941 -8.148 -7.309 1.00 0.00 S ATOM 351 CE MET A 26 3.781 -8.788 -8.514 1.00 0.00 C ATOM 0 H MET A 26 3.677 -6.784 -3.839 1.00 0.00 H new ATOM 0 HA MET A 26 3.020 -6.068 -6.510 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.161 -8.482 -4.868 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.145 -8.359 -6.616 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.663 -8.160 -4.930 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.085 -9.649 -5.651 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.318 -9.084 -9.415 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.265 -9.654 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.052 -8.016 -8.763 1.00 0.00 H new ATOM 361 N ASP A 27 0.617 -6.049 -4.282 1.00 0.00 N ATOM 362 CA ASP A 27 -0.766 -5.650 -4.044 1.00 0.00 C ATOM 363 C ASP A 27 -0.849 -4.173 -3.672 1.00 0.00 C ATOM 364 O ASP A 27 0.172 -3.508 -3.497 1.00 0.00 O ATOM 365 CB ASP A 27 -1.381 -6.504 -2.935 1.00 0.00 C ATOM 366 CG ASP A 27 -1.490 -7.966 -3.322 1.00 0.00 C ATOM 367 OD1 ASP A 27 -0.757 -8.393 -4.239 1.00 0.00 O ATOM 368 OD2 ASP A 27 -2.306 -8.683 -2.707 1.00 0.00 O ATOM 0 H ASP A 27 1.135 -6.296 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.327 -5.806 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.775 -6.414 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.372 -6.121 -2.693 1.00 0.00 H new ATOM 373 N ALA A 28 -2.072 -3.666 -3.554 1.00 0.00 N ATOM 374 CA ALA A 28 -2.288 -2.268 -3.202 1.00 0.00 C ATOM 375 C ALA A 28 -2.007 -2.024 -1.724 1.00 0.00 C ATOM 376 O ALA A 28 -2.103 -2.938 -0.904 1.00 0.00 O ATOM 377 CB ALA A 28 -3.711 -1.851 -3.547 1.00 0.00 C ATOM 0 H ALA A 28 -2.928 -4.202 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.592 -1.661 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.859 -0.805 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.878 -1.979 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.416 -2.471 -2.993 1.00 0.00 H new ATOM 383 N CYS A 29 -1.658 -0.787 -1.389 1.00 0.00 N ATOM 384 CA CYS A 29 -1.362 -0.422 -0.009 1.00 0.00 C ATOM 385 C CYS A 29 -2.647 -0.199 0.784 1.00 0.00 C ATOM 386 O CYS A 29 -3.731 -0.088 0.210 1.00 0.00 O ATOM 387 CB CYS A 29 -0.498 0.840 0.033 1.00 0.00 C ATOM 388 SG CYS A 29 -1.267 2.293 -0.752 1.00 0.00 S ATOM 0 H CYS A 29 -1.573 -0.019 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.813 -1.246 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.272 1.079 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.452 0.634 -0.460 1.00 0.00 H new ATOM 393 N LEU A 30 -2.517 -0.135 2.104 1.00 0.00 N ATOM 394 CA LEU A 30 -3.668 0.075 2.976 1.00 0.00 C ATOM 395 C LEU A 30 -4.352 1.402 2.664 1.00 0.00 C ATOM 396 O LEU A 30 -5.472 1.653 3.110 1.00 0.00 O ATOM 397 CB LEU A 30 -3.233 0.045 4.443 1.00 0.00 C ATOM 398 CG LEU A 30 -3.149 -1.338 5.089 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.469 -1.252 6.447 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.536 -1.950 5.223 1.00 0.00 C ATOM 0 H LEU A 30 -1.627 -0.225 2.594 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.380 -0.731 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.255 0.521 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.930 0.652 5.021 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.550 -1.983 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.418 -2.246 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.460 -0.857 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.041 -0.591 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.456 -2.934 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.159 -1.307 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.987 -2.048 4.236 1.00 0.00 H new ATOM 412 N ARG A 31 -3.673 2.246 1.895 1.00 0.00 N ATOM 413 CA ARG A 31 -4.216 3.547 1.523 1.00 0.00 C ATOM 414 C ARG A 31 -5.039 3.445 0.242 1.00 0.00 C ATOM 415 O ARG A 31 -6.076 4.095 0.104 1.00 0.00 O ATOM 416 CB ARG A 31 -3.086 4.561 1.337 1.00 0.00 C ATOM 417 CG ARG A 31 -2.187 4.701 2.554 1.00 0.00 C ATOM 418 CD ARG A 31 -0.981 3.779 2.464 1.00 0.00 C ATOM 419 NE ARG A 31 -0.062 3.969 3.583 1.00 0.00 N ATOM 420 CZ ARG A 31 -0.247 3.435 4.786 1.00 0.00 C ATOM 421 NH1 ARG A 31 -1.312 2.682 5.023 1.00 0.00 N ATOM 422 NH2 ARG A 31 0.634 3.655 5.753 1.00 0.00 N ATOM 0 H ARG A 31 -2.746 2.052 1.517 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.868 3.885 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.480 4.264 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.517 5.534 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.851 5.734 2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.755 4.472 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.318 2.743 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.454 3.962 1.527 1.00 0.00 H new ATOM 0 HE ARG A 31 0.768 4.543 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.991 2.511 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.452 2.273 5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.454 4.234 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.491 3.245 6.676 1.00 0.00 H new ATOM 436 N CYS A 32 -4.570 2.626 -0.693 1.00 0.00 N ATOM 437 CA CYS A 32 -5.261 2.440 -1.964 1.00 0.00 C ATOM 438 C CYS A 32 -6.353 1.382 -1.839 1.00 0.00 C ATOM 439 O CYS A 32 -7.375 1.448 -2.522 1.00 0.00 O ATOM 440 CB CYS A 32 -4.266 2.036 -3.054 1.00 0.00 C ATOM 441 SG CYS A 32 -3.150 3.377 -3.577 1.00 0.00 S ATOM 0 H CYS A 32 -3.714 2.080 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.727 3.387 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.667 1.200 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.820 1.679 -3.922 1.00 0.00 H new ATOM 446 N GLN A 33 -6.130 0.410 -0.961 1.00 0.00 N ATOM 447 CA GLN A 33 -7.095 -0.662 -0.746 1.00 0.00 C ATOM 448 C GLN A 33 -8.377 -0.123 -0.119 1.00 0.00 C ATOM 449 O GLN A 33 -9.476 -0.561 -0.456 1.00 0.00 O ATOM 450 CB GLN A 33 -6.494 -1.748 0.147 1.00 0.00 C ATOM 451 CG GLN A 33 -5.414 -2.570 -0.538 1.00 0.00 C ATOM 452 CD GLN A 33 -5.256 -3.949 0.072 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.179 -4.764 0.039 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.083 -4.219 0.632 1.00 0.00 N ATOM 0 H GLN A 33 -5.290 0.342 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.340 -1.095 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.074 -1.282 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.290 -2.414 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.655 -2.670 -1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.464 -2.039 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.346 -3.514 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.919 -5.131 1.057 1.00 0.00 H new ATOM 463 N ALA A 34 -8.227 0.830 0.795 1.00 0.00 N ATOM 464 CA ALA A 34 -9.372 1.430 1.468 1.00 0.00 C ATOM 465 C ALA A 34 -10.033 2.488 0.590 1.00 0.00 C ATOM 466 O ALA A 34 -11.257 2.610 0.566 1.00 0.00 O ATOM 467 CB ALA A 34 -8.946 2.036 2.797 1.00 0.00 C ATOM 0 H ALA A 34 -7.323 1.203 1.086 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.103 0.644 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.812 2.480 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.527 1.257 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.194 2.805 2.622 1.00 0.00 H new ATOM 473 N GLU A 35 -9.214 3.250 -0.129 1.00 0.00 N ATOM 474 CA GLU A 35 -9.721 4.298 -1.007 1.00 0.00 C ATOM 475 C GLU A 35 -10.156 3.719 -2.350 1.00 0.00 C ATOM 476 O GLU A 35 -10.727 4.421 -3.184 1.00 0.00 O ATOM 477 CB GLU A 35 -8.653 5.372 -1.224 1.00 0.00 C ATOM 478 CG GLU A 35 -8.458 6.287 -0.027 1.00 0.00 C ATOM 479 CD GLU A 35 -7.879 7.635 -0.412 1.00 0.00 C ATOM 480 OE1 GLU A 35 -8.475 8.312 -1.276 1.00 0.00 O ATOM 481 OE2 GLU A 35 -6.830 8.013 0.151 1.00 0.00 O ATOM 0 H GLU A 35 -8.198 3.161 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.589 4.750 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.705 4.888 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.926 5.974 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.416 6.436 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.796 5.803 0.692 1.00 0.00 H new ATOM 488 N ASN A 36 -9.883 2.434 -2.551 1.00 0.00 N ATOM 489 CA ASN A 36 -10.245 1.760 -3.792 1.00 0.00 C ATOM 490 C ASN A 36 -9.537 2.398 -4.984 1.00 0.00 C ATOM 491 O ASN A 36 -10.103 2.508 -6.071 1.00 0.00 O ATOM 492 CB ASN A 36 -11.760 1.809 -4.000 1.00 0.00 C ATOM 493 CG ASN A 36 -12.466 0.611 -3.395 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.667 0.543 -2.182 1.00 0.00 O ATOM 495 ND2 ASN A 36 -12.844 -0.341 -4.239 1.00 0.00 N ATOM 0 H ASN A 36 -9.412 1.838 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.928 0.720 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.155 2.723 -3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.976 1.854 -5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.322 -1.172 -3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.656 -0.242 -5.237 1.00 0.00 H new ATOM 502 N LYS A 37 -8.293 2.816 -4.771 1.00 0.00 N ATOM 503 CA LYS A 37 -7.505 3.440 -5.827 1.00 0.00 C ATOM 504 C LYS A 37 -6.401 2.504 -6.308 1.00 0.00 C ATOM 505 O LYS A 37 -5.372 2.952 -6.813 1.00 0.00 O ATOM 506 CB LYS A 37 -6.894 4.752 -5.327 1.00 0.00 C ATOM 507 CG LYS A 37 -7.923 5.748 -4.822 1.00 0.00 C ATOM 508 CD LYS A 37 -8.480 6.596 -5.953 1.00 0.00 C ATOM 509 CE LYS A 37 -7.453 7.598 -6.457 1.00 0.00 C ATOM 510 NZ LYS A 37 -8.019 8.496 -7.501 1.00 0.00 N ATOM 0 H LYS A 37 -7.810 2.734 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.169 3.651 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.189 4.532 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.324 5.209 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.737 5.214 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.468 6.394 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.793 5.950 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.368 7.126 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.089 8.196 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.594 7.064 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.288 9.164 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.343 7.928 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.823 9.025 -7.106 1.00 0.00 H new ATOM 524 N GLN A 38 -6.623 1.203 -6.149 1.00 0.00 N ATOM 525 CA GLN A 38 -5.647 0.205 -6.568 1.00 0.00 C ATOM 526 C GLN A 38 -5.238 0.420 -8.022 1.00 0.00 C ATOM 527 O GLN A 38 -4.053 0.406 -8.351 1.00 0.00 O ATOM 528 CB GLN A 38 -6.217 -1.203 -6.389 1.00 0.00 C ATOM 529 CG GLN A 38 -6.754 -1.469 -4.993 1.00 0.00 C ATOM 530 CD GLN A 38 -7.908 -2.452 -4.989 1.00 0.00 C ATOM 531 OE1 GLN A 38 -8.013 -3.308 -5.868 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.783 -2.335 -3.996 1.00 0.00 N ATOM 0 H GLN A 38 -7.470 0.816 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.762 0.313 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.018 -1.356 -7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.439 -1.932 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.950 -1.856 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.081 -0.529 -4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.658 -1.611 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.580 -2.969 -3.941 1.00 0.00 H new ATOM 541 N GLU A 39 -6.228 0.619 -8.887 1.00 0.00 N ATOM 542 CA GLU A 39 -5.970 0.836 -10.305 1.00 0.00 C ATOM 543 C GLU A 39 -4.714 1.678 -10.507 1.00 0.00 C ATOM 544 O GLU A 39 -4.034 1.563 -11.527 1.00 0.00 O ATOM 545 CB GLU A 39 -7.169 1.520 -10.965 1.00 0.00 C ATOM 546 CG GLU A 39 -7.068 1.597 -12.480 1.00 0.00 C ATOM 547 CD GLU A 39 -8.231 2.342 -13.105 1.00 0.00 C ATOM 548 OE1 GLU A 39 -8.132 3.578 -13.254 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.241 1.690 -13.444 1.00 0.00 O ATOM 0 H GLU A 39 -7.215 0.634 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.813 -0.136 -10.773 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.077 0.981 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.267 2.529 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.136 2.091 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.026 0.588 -12.889 1.00 0.00 H new ATOM 556 N ASP A 40 -4.415 2.526 -9.530 1.00 0.00 N ATOM 557 CA ASP A 40 -3.241 3.389 -9.599 1.00 0.00 C ATOM 558 C ASP A 40 -2.055 2.751 -8.881 1.00 0.00 C ATOM 559 O ASP A 40 -0.917 2.833 -9.346 1.00 0.00 O ATOM 560 CB ASP A 40 -3.549 4.756 -8.985 1.00 0.00 C ATOM 561 CG ASP A 40 -2.560 5.820 -9.417 1.00 0.00 C ATOM 562 OD1 ASP A 40 -2.404 6.025 -10.639 1.00 0.00 O ATOM 563 OD2 ASP A 40 -1.943 6.450 -8.533 1.00 0.00 O ATOM 0 H ASP A 40 -4.969 2.635 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.979 3.522 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.555 5.061 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.538 4.674 -7.898 1.00 0.00 H new ATOM 568 N CYS A 41 -2.328 2.117 -7.746 1.00 0.00 N ATOM 569 CA CYS A 41 -1.285 1.466 -6.963 1.00 0.00 C ATOM 570 C CYS A 41 -0.571 0.399 -7.788 1.00 0.00 C ATOM 571 O CYS A 41 -0.994 -0.756 -7.828 1.00 0.00 O ATOM 572 CB CYS A 41 -1.881 0.837 -5.702 1.00 0.00 C ATOM 573 SG CYS A 41 -0.739 0.788 -4.284 1.00 0.00 S ATOM 0 H CYS A 41 -3.264 2.040 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.557 2.224 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.773 1.395 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.201 -0.179 -5.932 1.00 0.00 H new ATOM 578 N VAL A 42 0.515 0.795 -8.445 1.00 0.00 N ATOM 579 CA VAL A 42 1.289 -0.127 -9.268 1.00 0.00 C ATOM 580 C VAL A 42 2.636 -0.438 -8.626 1.00 0.00 C ATOM 581 O VAL A 42 3.003 0.152 -7.609 1.00 0.00 O ATOM 582 CB VAL A 42 1.525 0.443 -10.679 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.202 0.635 -11.406 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.295 1.752 -10.602 1.00 0.00 C ATOM 0 H VAL A 42 0.878 1.748 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 42 0.707 -1.045 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 42 2.123 -0.271 -11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.389 1.038 -12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.308 -0.324 -11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.424 1.329 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.453 2.141 -11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.725 2.475 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.259 1.579 -10.124 1.00 0.00 H new ATOM 594 N VAL A 43 3.370 -1.370 -9.226 1.00 0.00 N ATOM 595 CA VAL A 43 4.679 -1.759 -8.714 1.00 0.00 C ATOM 596 C VAL A 43 5.795 -1.004 -9.426 1.00 0.00 C ATOM 597 O VAL A 43 6.074 -1.248 -10.600 1.00 0.00 O ATOM 598 CB VAL A 43 4.916 -3.273 -8.873 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.270 -3.665 -8.301 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.798 -4.060 -8.205 1.00 0.00 C ATOM 0 H VAL A 43 3.081 -1.870 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 43 4.692 -1.505 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 43 4.914 -3.514 -9.936 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.419 -4.738 -8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.057 -3.127 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.305 -3.411 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.981 -5.128 -8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.766 -3.816 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.845 -3.801 -8.666 1.00 0.00 H new ATOM 610 N VAL A 44 6.432 -0.084 -8.708 1.00 0.00 N ATOM 611 CA VAL A 44 7.520 0.707 -9.270 1.00 0.00 C ATOM 612 C VAL A 44 8.876 0.136 -8.873 1.00 0.00 C ATOM 613 O VAL A 44 9.239 0.131 -7.697 1.00 0.00 O ATOM 614 CB VAL A 44 7.439 2.176 -8.814 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.502 2.268 -7.297 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.552 2.993 -9.453 1.00 0.00 C ATOM 0 H VAL A 44 6.213 0.132 -7.735 1.00 0.00 H new ATOM 0 HA VAL A 44 7.415 0.665 -10.354 1.00 0.00 H new ATOM 0 HB VAL A 44 6.484 2.588 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.443 3.313 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.667 1.717 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.441 1.840 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.480 4.029 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.519 2.584 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.456 2.953 -10.538 1.00 0.00 H new ATOM 626 N TRP A 45 9.622 -0.343 -9.862 1.00 0.00 N ATOM 627 CA TRP A 45 10.941 -0.916 -9.616 1.00 0.00 C ATOM 628 C TRP A 45 12.022 0.156 -9.684 1.00 0.00 C ATOM 629 O TRP A 45 11.919 1.106 -10.459 1.00 0.00 O ATOM 630 CB TRP A 45 11.237 -2.022 -10.631 1.00 0.00 C ATOM 631 CG TRP A 45 10.400 -3.249 -10.433 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.719 -4.347 -9.685 1.00 0.00 C ATOM 633 CD2 TRP A 45 9.108 -3.505 -10.994 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.702 -5.269 -9.747 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.702 -4.776 -10.542 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.253 -2.783 -11.831 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.481 -5.339 -10.902 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.041 -3.343 -12.187 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.663 -4.610 -11.723 1.00 0.00 C ATOM 0 H TRP A 45 9.337 -0.346 -10.841 1.00 0.00 H new ATOM 0 HA TRP A 45 10.942 -1.343 -8.613 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.071 -1.636 -11.637 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.290 -2.295 -10.564 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.635 -4.472 -9.127 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.693 -6.174 -9.277 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.534 -1.805 -12.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.189 -6.316 -10.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.373 -2.794 -12.834 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.708 -5.019 -12.019 1.00 0.00 H new ATOM 650 N GLY A 46 13.059 -0.002 -8.867 1.00 0.00 N ATOM 651 CA GLY A 46 14.144 0.962 -8.851 1.00 0.00 C ATOM 652 C GLY A 46 15.448 0.375 -9.354 1.00 0.00 C ATOM 653 O GLY A 46 15.573 -0.841 -9.500 1.00 0.00 O ATOM 0 H GLY A 46 13.167 -0.780 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.873 1.819 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.283 1.331 -7.835 1.00 0.00 H new ATOM 657 N GLU A 47 16.421 1.240 -9.622 1.00 0.00 N ATOM 658 CA GLU A 47 17.721 0.799 -10.115 1.00 0.00 C ATOM 659 C GLU A 47 18.419 -0.088 -9.088 1.00 0.00 C ATOM 660 O GLU A 47 19.208 -0.964 -9.443 1.00 0.00 O ATOM 661 CB GLU A 47 18.601 2.006 -10.446 1.00 0.00 C ATOM 662 CG GLU A 47 18.454 2.492 -11.878 1.00 0.00 C ATOM 663 CD GLU A 47 19.587 3.405 -12.304 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.708 3.247 -11.776 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.353 4.278 -13.165 1.00 0.00 O ATOM 0 H GLU A 47 16.334 2.250 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 47 17.560 0.217 -11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.354 2.822 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.644 1.745 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.414 1.632 -12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.507 3.021 -11.983 1.00 0.00 H new ATOM 672 N CYS A 48 18.124 0.147 -7.814 1.00 0.00 N ATOM 673 CA CYS A 48 18.724 -0.628 -6.735 1.00 0.00 C ATOM 674 C CYS A 48 18.150 -2.042 -6.697 1.00 0.00 C ATOM 675 O CYS A 48 18.544 -2.861 -5.868 1.00 0.00 O ATOM 676 CB CYS A 48 18.490 0.064 -5.391 1.00 0.00 C ATOM 677 SG CYS A 48 16.734 0.253 -4.947 1.00 0.00 S ATOM 0 H CYS A 48 17.473 0.868 -7.504 1.00 0.00 H new ATOM 0 HA CYS A 48 19.796 -0.694 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.992 -0.506 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.955 1.049 -5.416 1.00 0.00 H new ATOM 682 N ASN A 49 17.217 -2.320 -7.602 1.00 0.00 N ATOM 683 CA ASN A 49 16.589 -3.635 -7.672 1.00 0.00 C ATOM 684 C ASN A 49 15.586 -3.819 -6.538 1.00 0.00 C ATOM 685 O ASN A 49 15.559 -4.861 -5.882 1.00 0.00 O ATOM 686 CB ASN A 49 17.651 -4.734 -7.613 1.00 0.00 C ATOM 687 CG ASN A 49 17.140 -6.060 -8.142 1.00 0.00 C ATOM 688 OD1 ASN A 49 16.554 -6.852 -7.404 1.00 0.00 O ATOM 689 ND2 ASN A 49 17.362 -6.309 -9.428 1.00 0.00 N ATOM 0 H ASN A 49 16.879 -1.653 -8.296 1.00 0.00 H new ATOM 0 HA ASN A 49 16.056 -3.706 -8.620 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.521 -4.426 -8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.982 -4.860 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.042 -7.185 -9.840 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.852 -5.624 -10.003 1.00 0.00 H new ATOM 696 N HIS A 50 14.761 -2.801 -6.313 1.00 0.00 N ATOM 697 CA HIS A 50 13.754 -2.852 -5.259 1.00 0.00 C ATOM 698 C HIS A 50 12.422 -2.295 -5.752 1.00 0.00 C ATOM 699 O HIS A 50 12.351 -1.165 -6.234 1.00 0.00 O ATOM 700 CB HIS A 50 14.227 -2.066 -4.035 1.00 0.00 C ATOM 701 CG HIS A 50 15.292 -2.765 -3.249 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.152 -2.107 -2.394 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.634 -4.074 -3.190 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.977 -2.980 -1.845 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.684 -4.181 -2.311 1.00 0.00 N ATOM 0 H HIS A 50 14.770 -1.931 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 50 13.610 -3.895 -4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.604 -1.096 -4.360 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.374 -1.874 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.168 -4.883 -3.733 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.758 -2.751 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.160 -5.047 -2.059 1.00 0.00 H new ATOM 713 N SER A 51 11.369 -3.097 -5.630 1.00 0.00 N ATOM 714 CA SER A 51 10.040 -2.686 -6.068 1.00 0.00 C ATOM 715 C SER A 51 9.273 -2.024 -4.927 1.00 0.00 C ATOM 716 O SER A 51 9.364 -2.447 -3.774 1.00 0.00 O ATOM 717 CB SER A 51 9.258 -3.891 -6.592 1.00 0.00 C ATOM 718 OG SER A 51 8.980 -4.812 -5.551 1.00 0.00 O ATOM 0 H SER A 51 11.410 -4.035 -5.232 1.00 0.00 H new ATOM 0 HA SER A 51 10.157 -1.960 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.324 -3.554 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.830 -4.386 -7.377 1.00 0.00 H new ATOM 0 HG SER A 51 8.157 -5.302 -5.759 1.00 0.00 H new ATOM 724 N PHE A 52 8.517 -0.982 -5.257 1.00 0.00 N ATOM 725 CA PHE A 52 7.734 -0.260 -4.261 1.00 0.00 C ATOM 726 C PHE A 52 6.391 0.178 -4.839 1.00 0.00 C ATOM 727 O PHE A 52 6.075 -0.112 -5.993 1.00 0.00 O ATOM 728 CB PHE A 52 8.508 0.960 -3.760 1.00 0.00 C ATOM 729 CG PHE A 52 9.732 0.608 -2.964 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.648 0.396 -1.597 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.966 0.489 -3.582 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.773 0.072 -0.862 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.094 0.165 -2.852 1.00 0.00 C ATOM 734 CZ PHE A 52 11.997 -0.045 -1.490 1.00 0.00 C ATOM 0 H PHE A 52 8.430 -0.619 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 52 7.548 -0.933 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.803 1.569 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.848 1.572 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.693 0.485 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.048 0.651 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.695 -0.090 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.050 0.076 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.877 -0.300 -0.918 1.00 0.00 H new ATOM 744 N HIS A 53 5.604 0.877 -4.027 1.00 0.00 N ATOM 745 CA HIS A 53 4.294 1.355 -4.456 1.00 0.00 C ATOM 746 C HIS A 53 4.397 2.752 -5.059 1.00 0.00 C ATOM 747 O HIS A 53 4.609 3.732 -4.347 1.00 0.00 O ATOM 748 CB HIS A 53 3.321 1.366 -3.277 1.00 0.00 C ATOM 749 CG HIS A 53 2.896 -0.001 -2.838 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.975 -0.430 -1.529 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.385 -1.039 -3.541 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.533 -1.672 -1.447 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.168 -2.064 -2.655 1.00 0.00 N ATOM 0 H HIS A 53 5.850 1.125 -3.069 1.00 0.00 H new ATOM 0 HA HIS A 53 3.919 0.675 -5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.788 1.880 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.437 1.942 -3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.185 -1.057 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.479 -2.266 -0.546 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.787 -2.980 -2.891 1.00 0.00 H new ATOM 761 N ASN A 54 4.247 2.835 -6.378 1.00 0.00 N ATOM 762 CA ASN A 54 4.325 4.113 -7.077 1.00 0.00 C ATOM 763 C ASN A 54 3.783 5.243 -6.207 1.00 0.00 C ATOM 764 O ASN A 54 4.300 6.360 -6.228 1.00 0.00 O ATOM 765 CB ASN A 54 3.544 4.046 -8.391 1.00 0.00 C ATOM 766 CG ASN A 54 2.098 4.472 -8.227 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.342 3.707 -7.448 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.667 5.476 -8.794 1.00 0.00 N flip ATOM 0 H ASN A 54 4.071 2.033 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 54 5.373 4.317 -7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.027 4.685 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.578 3.028 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.285 6.034 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.692 5.750 -8.674 1.00 0.00 H new ATOM 775 N CYS A 55 2.738 4.944 -5.442 1.00 0.00 N ATOM 776 CA CYS A 55 2.125 5.934 -4.564 1.00 0.00 C ATOM 777 C CYS A 55 3.007 6.203 -3.349 1.00 0.00 C ATOM 778 O CYS A 55 3.274 7.355 -3.005 1.00 0.00 O ATOM 779 CB CYS A 55 0.743 5.457 -4.111 1.00 0.00 C ATOM 780 SG CYS A 55 0.762 3.874 -3.209 1.00 0.00 S ATOM 0 H CYS A 55 2.298 4.024 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 55 2.016 6.863 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.298 6.221 -3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.100 5.357 -4.986 1.00 0.00 H new ATOM 785 N CYS A 56 3.456 5.133 -2.702 1.00 0.00 N ATOM 786 CA CYS A 56 4.308 5.252 -1.524 1.00 0.00 C ATOM 787 C CYS A 56 5.647 5.889 -1.884 1.00 0.00 C ATOM 788 O CYS A 56 6.272 6.551 -1.057 1.00 0.00 O ATOM 789 CB CYS A 56 4.537 3.877 -0.894 1.00 0.00 C ATOM 790 SG CYS A 56 3.019 3.076 -0.283 1.00 0.00 S ATOM 0 H CYS A 56 3.244 4.173 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 56 3.802 5.894 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.007 3.226 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.239 3.981 -0.066 1.00 0.00 H new ATOM 795 N MET A 57 6.080 5.682 -3.123 1.00 0.00 N ATOM 796 CA MET A 57 7.344 6.238 -3.593 1.00 0.00 C ATOM 797 C MET A 57 7.226 7.741 -3.822 1.00 0.00 C ATOM 798 O MET A 57 8.085 8.513 -3.394 1.00 0.00 O ATOM 799 CB MET A 57 7.780 5.546 -4.886 1.00 0.00 C ATOM 800 CG MET A 57 9.289 5.475 -5.058 1.00 0.00 C ATOM 801 SD MET A 57 10.043 4.180 -4.055 1.00 0.00 S ATOM 802 CE MET A 57 11.191 5.140 -3.070 1.00 0.00 C ATOM 0 H MET A 57 5.575 5.134 -3.819 1.00 0.00 H new ATOM 0 HA MET A 57 8.097 6.064 -2.824 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.373 4.535 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.350 6.077 -5.735 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.523 5.299 -6.108 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.727 6.437 -4.791 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.994 4.494 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.612 5.940 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.667 5.571 -2.217 1.00 0.00 H new ATOM 812 N SER A 58 6.158 8.150 -4.499 1.00 0.00 N ATOM 813 CA SER A 58 5.930 9.561 -4.788 1.00 0.00 C ATOM 814 C SER A 58 5.697 10.348 -3.502 1.00 0.00 C ATOM 815 O SER A 58 5.939 11.555 -3.445 1.00 0.00 O ATOM 816 CB SER A 58 4.731 9.725 -5.724 1.00 0.00 C ATOM 817 OG SER A 58 4.295 11.072 -5.763 1.00 0.00 O ATOM 0 H SER A 58 5.437 7.524 -4.858 1.00 0.00 H new ATOM 0 HA SER A 58 6.821 9.954 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.002 9.398 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.915 9.085 -5.390 1.00 0.00 H new ATOM 0 HG SER A 58 3.529 11.150 -6.369 1.00 0.00 H new ATOM 823 N LEU A 59 5.224 9.657 -2.470 1.00 0.00 N ATOM 824 CA LEU A 59 4.957 10.290 -1.183 1.00 0.00 C ATOM 825 C LEU A 59 6.153 10.147 -0.247 1.00 0.00 C ATOM 826 O LEU A 59 6.456 11.051 0.530 1.00 0.00 O ATOM 827 CB LEU A 59 3.714 9.675 -0.538 1.00 0.00 C ATOM 828 CG LEU A 59 2.444 9.677 -1.391 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.440 8.668 -0.856 1.00 0.00 C ATOM 830 CD2 LEU A 59 1.833 11.070 -1.433 1.00 0.00 C ATOM 0 H LEU A 59 5.018 8.659 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 59 4.781 11.351 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.943 8.645 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.507 10.211 0.388 1.00 0.00 H new ATOM 0 HG LEU A 59 2.711 9.388 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.543 8.684 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.879 7.671 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.177 8.925 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.931 11.053 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.580 11.387 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.550 11.769 -1.864 1.00 0.00 H new ATOM 842 N TRP A 60 6.829 9.007 -0.330 1.00 0.00 N ATOM 843 CA TRP A 60 7.993 8.746 0.508 1.00 0.00 C ATOM 844 C TRP A 60 9.150 9.666 0.134 1.00 0.00 C ATOM 845 O TRP A 60 9.903 10.117 0.998 1.00 0.00 O ATOM 846 CB TRP A 60 8.425 7.285 0.377 1.00 0.00 C ATOM 847 CG TRP A 60 9.813 7.028 0.881 1.00 0.00 C ATOM 848 CD1 TRP A 60 10.972 7.095 0.162 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.187 6.661 2.214 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.043 6.792 0.967 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.588 6.523 2.230 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.474 6.437 3.395 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.288 6.170 3.382 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.170 6.087 4.537 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.565 5.957 4.524 1.00 0.00 C ATOM 0 H TRP A 60 6.591 8.249 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 60 7.715 8.944 1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 60 7.725 6.656 0.926 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.366 6.989 -0.670 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.037 7.349 -0.886 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.019 6.771 0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.399 6.536 3.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.363 6.068 3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 9.629 5.911 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.080 5.683 5.433 1.00 0.00 H new ATOM 866 N VAL A 61 9.287 9.942 -1.160 1.00 0.00 N ATOM 867 CA VAL A 61 10.352 10.810 -1.648 1.00 0.00 C ATOM 868 C VAL A 61 10.220 12.217 -1.076 1.00 0.00 C ATOM 869 O VAL A 61 11.199 12.958 -0.988 1.00 0.00 O ATOM 870 CB VAL A 61 10.349 10.891 -3.186 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.617 9.522 -3.793 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.028 11.456 -3.687 1.00 0.00 C ATOM 0 H VAL A 61 8.674 9.577 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 61 11.294 10.373 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 61 11.148 11.564 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.611 9.599 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.590 9.160 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.842 8.825 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.043 11.506 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.211 10.811 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.882 12.456 -3.280 1.00 0.00 H new ATOM 882 N LYS A 62 9.002 12.579 -0.687 1.00 0.00 N ATOM 883 CA LYS A 62 8.741 13.897 -0.120 1.00 0.00 C ATOM 884 C LYS A 62 9.579 14.127 1.133 1.00 0.00 C ATOM 885 O LYS A 62 10.146 15.203 1.322 1.00 0.00 O ATOM 886 CB LYS A 62 7.255 14.046 0.213 1.00 0.00 C ATOM 887 CG LYS A 62 6.361 14.125 -1.013 1.00 0.00 C ATOM 888 CD LYS A 62 5.108 14.940 -0.738 1.00 0.00 C ATOM 889 CE LYS A 62 4.296 14.345 0.402 1.00 0.00 C ATOM 890 NZ LYS A 62 4.703 14.900 1.722 1.00 0.00 N ATOM 0 H LYS A 62 8.180 11.978 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 62 9.018 14.645 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.942 13.201 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.114 14.945 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.913 14.573 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.081 13.119 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.386 15.965 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.496 14.983 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.237 14.543 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.420 13.262 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.871 14.966 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.411 14.275 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.112 15.847 1.589 1.00 0.00 H new ATOM 904 N GLN A 63 9.654 13.109 1.984 1.00 0.00 N ATOM 905 CA GLN A 63 10.425 13.202 3.219 1.00 0.00 C ATOM 906 C GLN A 63 11.814 12.598 3.040 1.00 0.00 C ATOM 907 O GLN A 63 12.803 13.134 3.537 1.00 0.00 O ATOM 908 CB GLN A 63 9.690 12.493 4.358 1.00 0.00 C ATOM 909 CG GLN A 63 8.313 13.070 4.646 1.00 0.00 C ATOM 910 CD GLN A 63 8.379 14.403 5.364 1.00 0.00 C ATOM 911 OE1 GLN A 63 9.315 15.180 5.172 1.00 0.00 O ATOM 912 NE2 GLN A 63 7.381 14.677 6.197 1.00 0.00 N ATOM 0 H GLN A 63 9.191 12.211 1.842 1.00 0.00 H new ATOM 0 HA GLN A 63 10.537 14.257 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.588 11.436 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.296 12.552 5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.771 13.193 3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.746 12.363 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.625 14.004 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.371 15.560 6.707 1.00 0.00 H new ATOM 921 N ASN A 64 11.879 11.477 2.328 1.00 0.00 N ATOM 922 CA ASN A 64 13.148 10.800 2.085 1.00 0.00 C ATOM 923 C ASN A 64 13.239 10.320 0.639 1.00 0.00 C ATOM 924 O ASN A 64 12.563 9.370 0.246 1.00 0.00 O ATOM 925 CB ASN A 64 13.307 9.614 3.039 1.00 0.00 C ATOM 926 CG ASN A 64 13.596 10.052 4.461 1.00 0.00 C ATOM 927 OD1 ASN A 64 12.743 10.639 5.127 1.00 0.00 O ATOM 928 ND2 ASN A 64 14.804 9.768 4.934 1.00 0.00 N ATOM 0 H ASN A 64 11.069 11.019 1.910 1.00 0.00 H new ATOM 0 HA ASN A 64 13.953 11.513 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.397 9.014 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.116 8.974 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.056 10.038 5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.480 9.280 4.347 1.00 0.00 H new ATOM 935 N ASN A 65 14.081 10.983 -0.146 1.00 0.00 N ATOM 936 CA ASN A 65 14.262 10.624 -1.548 1.00 0.00 C ATOM 937 C ASN A 65 15.301 9.517 -1.697 1.00 0.00 C ATOM 938 O ASN A 65 16.152 9.565 -2.586 1.00 0.00 O ATOM 939 CB ASN A 65 14.687 11.850 -2.360 1.00 0.00 C ATOM 940 CG ASN A 65 14.375 11.702 -3.836 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.269 11.316 -4.213 1.00 0.00 O ATOM 942 ND2 ASN A 65 15.353 12.009 -4.681 1.00 0.00 N ATOM 0 H ASN A 65 14.649 11.772 0.164 1.00 0.00 H new ATOM 0 HA ASN A 65 13.309 10.257 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.180 12.733 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.757 12.014 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.202 11.929 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.255 12.325 -4.324 1.00 0.00 H new ATOM 949 N ARG A 66 15.226 8.520 -0.821 1.00 0.00 N ATOM 950 CA ARG A 66 16.160 7.401 -0.854 1.00 0.00 C ATOM 951 C ARG A 66 15.458 6.096 -0.491 1.00 0.00 C ATOM 952 O ARG A 66 14.630 6.056 0.420 1.00 0.00 O ATOM 953 CB ARG A 66 17.323 7.652 0.107 1.00 0.00 C ATOM 954 CG ARG A 66 18.135 8.892 -0.228 1.00 0.00 C ATOM 955 CD ARG A 66 19.031 9.302 0.930 1.00 0.00 C ATOM 956 NE ARG A 66 19.254 10.745 0.965 1.00 0.00 N ATOM 957 CZ ARG A 66 18.414 11.605 1.530 1.00 0.00 C ATOM 958 NH1 ARG A 66 17.300 11.169 2.104 1.00 0.00 N ATOM 959 NH2 ARG A 66 18.686 12.903 1.522 1.00 0.00 N ATOM 0 H ARG A 66 14.528 8.465 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 66 16.548 7.314 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.932 7.747 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.982 6.784 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.745 8.701 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.462 9.713 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.579 8.982 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.989 8.789 0.846 1.00 0.00 H new ATOM 0 HE ARG A 66 20.101 11.112 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.087 10.171 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.657 11.831 2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.541 13.242 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.040 13.562 1.956 1.00 0.00 H new ATOM 973 N CYS A 67 15.793 5.030 -1.210 1.00 0.00 N ATOM 974 CA CYS A 67 15.195 3.723 -0.966 1.00 0.00 C ATOM 975 C CYS A 67 15.242 3.373 0.519 1.00 0.00 C ATOM 976 O CYS A 67 16.302 3.348 1.143 1.00 0.00 O ATOM 977 CB CYS A 67 15.919 2.648 -1.778 1.00 0.00 C ATOM 978 SG CYS A 67 15.049 1.049 -1.837 1.00 0.00 S ATOM 0 H CYS A 67 16.476 5.046 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 67 14.152 3.764 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.060 3.010 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.911 2.494 -1.354 1.00 0.00 H new ATOM 983 N PRO A 68 14.064 3.095 1.098 1.00 0.00 N ATOM 984 CA PRO A 68 13.944 2.740 2.516 1.00 0.00 C ATOM 985 C PRO A 68 14.529 1.366 2.821 1.00 0.00 C ATOM 986 O PRO A 68 14.390 0.853 3.932 1.00 0.00 O ATOM 987 CB PRO A 68 12.432 2.743 2.754 1.00 0.00 C ATOM 988 CG PRO A 68 11.837 2.470 1.416 1.00 0.00 C ATOM 989 CD PRO A 68 12.760 3.106 0.415 1.00 0.00 C ATOM 0 HA PRO A 68 14.492 3.430 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.144 1.981 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.095 3.702 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.749 1.398 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.833 2.889 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.790 2.543 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.446 4.119 0.166 1.00 0.00 H new ATOM 997 N LEU A 69 15.185 0.774 1.829 1.00 0.00 N ATOM 998 CA LEU A 69 15.793 -0.542 1.992 1.00 0.00 C ATOM 999 C LEU A 69 17.314 -0.452 1.918 1.00 0.00 C ATOM 1000 O LEU A 69 18.021 -1.017 2.754 1.00 0.00 O ATOM 1001 CB LEU A 69 15.275 -1.501 0.919 1.00 0.00 C ATOM 1002 CG LEU A 69 13.857 -2.035 1.123 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.413 -2.848 -0.083 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.781 -2.873 2.391 1.00 0.00 C ATOM 0 H LEU A 69 15.309 1.184 0.903 1.00 0.00 H new ATOM 0 HA LEU A 69 15.517 -0.923 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.315 -0.992 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.956 -2.350 0.860 1.00 0.00 H new ATOM 0 HG LEU A 69 13.182 -1.186 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.401 -3.220 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.428 -2.218 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.091 -3.690 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.765 -3.245 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.469 -3.715 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.055 -2.260 3.249 1.00 0.00 H new ATOM 1016 N CYS A 70 17.812 0.263 0.915 1.00 0.00 N ATOM 1017 CA CYS A 70 19.248 0.429 0.733 1.00 0.00 C ATOM 1018 C CYS A 70 19.639 1.903 0.803 1.00 0.00 C ATOM 1019 O CYS A 70 20.762 2.274 0.463 1.00 0.00 O ATOM 1020 CB CYS A 70 19.685 -0.162 -0.609 1.00 0.00 C ATOM 1021 SG CYS A 70 18.773 0.495 -2.043 1.00 0.00 S ATOM 0 H CYS A 70 17.241 0.737 0.215 1.00 0.00 H new ATOM 0 HA CYS A 70 19.755 -0.102 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.749 0.030 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.558 -1.244 -0.576 1.00 0.00 H new ATOM 1026 N GLN A 71 18.703 2.736 1.247 1.00 0.00 N ATOM 1027 CA GLN A 71 18.949 4.169 1.361 1.00 0.00 C ATOM 1028 C GLN A 71 19.878 4.652 0.252 1.00 0.00 C ATOM 1029 O GLN A 71 20.732 5.510 0.475 1.00 0.00 O ATOM 1030 CB GLN A 71 19.554 4.496 2.728 1.00 0.00 C ATOM 1031 CG GLN A 71 20.543 3.453 3.221 1.00 0.00 C ATOM 1032 CD GLN A 71 19.865 2.183 3.694 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.253 1.078 3.312 1.00 0.00 O ATOM 1034 NE2 GLN A 71 18.844 2.333 4.530 1.00 0.00 N ATOM 0 H GLN A 71 17.769 2.444 1.533 1.00 0.00 H new ATOM 0 HA GLN A 71 17.994 4.685 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.055 5.462 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.750 4.596 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.240 3.211 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.130 3.872 4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.556 3.267 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.348 1.514 4.881 1.00 0.00 H new ATOM 1043 N GLN A 72 19.705 4.095 -0.942 1.00 0.00 N ATOM 1044 CA GLN A 72 20.529 4.469 -2.086 1.00 0.00 C ATOM 1045 C GLN A 72 19.755 5.367 -3.044 1.00 0.00 C ATOM 1046 O GLN A 72 18.525 5.333 -3.086 1.00 0.00 O ATOM 1047 CB GLN A 72 21.017 3.219 -2.820 1.00 0.00 C ATOM 1048 CG GLN A 72 22.210 2.551 -2.158 1.00 0.00 C ATOM 1049 CD GLN A 72 23.062 1.770 -3.140 1.00 0.00 C ATOM 1050 OE1 GLN A 72 23.351 2.242 -4.240 1.00 0.00 O ATOM 1051 NE2 GLN A 72 23.469 0.569 -2.746 1.00 0.00 N ATOM 0 H GLN A 72 19.002 3.384 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 72 21.391 5.023 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.198 2.502 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.283 3.489 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.824 3.310 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.857 1.880 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.205 0.218 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.045 -0.002 -3.364 1.00 0.00 H new ATOM 1060 N ASP A 73 20.482 6.171 -3.812 1.00 0.00 N ATOM 1061 CA ASP A 73 19.863 7.078 -4.772 1.00 0.00 C ATOM 1062 C ASP A 73 18.730 6.386 -5.522 1.00 0.00 C ATOM 1063 O ASP A 73 18.967 5.625 -6.460 1.00 0.00 O ATOM 1064 CB ASP A 73 20.907 7.595 -5.764 1.00 0.00 C ATOM 1065 CG ASP A 73 21.550 6.478 -6.561 1.00 0.00 C ATOM 1066 OD1 ASP A 73 21.582 5.335 -6.061 1.00 0.00 O ATOM 1067 OD2 ASP A 73 22.023 6.748 -7.686 1.00 0.00 O ATOM 0 H ASP A 73 21.501 6.213 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 73 19.447 7.922 -4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 73 20.436 8.301 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.679 8.142 -5.223 1.00 0.00 H new ATOM 1072 N TRP A 74 17.499 6.654 -5.102 1.00 0.00 N ATOM 1073 CA TRP A 74 16.328 6.055 -5.733 1.00 0.00 C ATOM 1074 C TRP A 74 16.184 6.532 -7.174 1.00 0.00 C ATOM 1075 O TRP A 74 16.186 7.734 -7.444 1.00 0.00 O ATOM 1076 CB TRP A 74 15.066 6.396 -4.940 1.00 0.00 C ATOM 1077 CG TRP A 74 13.806 5.909 -5.591 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.839 6.673 -6.179 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.378 4.548 -5.717 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.835 5.869 -6.664 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.142 4.562 -6.394 1.00 0.00 C ATOM 1082 CE3 TRP A 74 13.919 3.320 -5.327 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.441 3.395 -6.685 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.221 2.163 -5.617 1.00 0.00 C ATOM 1085 CH2 TRP A 74 11.994 2.207 -6.291 1.00 0.00 C ATOM 0 H TRP A 74 17.285 7.282 -4.327 1.00 0.00 H new ATOM 0 HA TRP A 74 16.462 4.973 -5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.143 5.961 -3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.006 7.477 -4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.860 7.750 -6.252 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.997 6.193 -7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.865 3.276 -4.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.494 3.426 -7.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.629 1.208 -5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.474 1.285 -6.504 1.00 0.00 H new ATOM 1096 N VAL A 75 16.058 5.584 -8.097 1.00 0.00 N ATOM 1097 CA VAL A 75 15.910 5.909 -9.511 1.00 0.00 C ATOM 1098 C VAL A 75 14.853 5.029 -10.169 1.00 0.00 C ATOM 1099 O VAL A 75 15.090 3.850 -10.436 1.00 0.00 O ATOM 1100 CB VAL A 75 17.242 5.745 -10.266 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.064 6.073 -11.741 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.319 6.620 -9.643 1.00 0.00 C ATOM 0 H VAL A 75 16.055 4.585 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 75 15.596 6.951 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 75 17.559 4.705 -10.185 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.016 5.952 -12.258 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.326 5.400 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.723 7.103 -11.846 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.253 6.491 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.012 7.665 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.465 6.332 -8.602 1.00 0.00 H new ATOM 1112 N VAL A 76 13.686 5.609 -10.429 1.00 0.00 N ATOM 1113 CA VAL A 76 12.593 4.879 -11.059 1.00 0.00 C ATOM 1114 C VAL A 76 13.053 4.199 -12.343 1.00 0.00 C ATOM 1115 O VAL A 76 13.161 4.837 -13.390 1.00 0.00 O ATOM 1116 CB VAL A 76 11.408 5.809 -11.380 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.312 5.047 -12.109 1.00 0.00 C ATOM 1118 CG2 VAL A 76 10.869 6.444 -10.106 1.00 0.00 C ATOM 0 H VAL A 76 13.473 6.583 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 76 12.268 4.121 -10.347 1.00 0.00 H new ATOM 0 HB VAL A 76 11.761 6.605 -12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.484 5.721 -12.327 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.707 4.644 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.959 4.229 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.032 7.098 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.532 5.663 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.657 7.027 -9.628 1.00 0.00 H new ATOM 1128 N GLN A 77 13.322 2.900 -12.255 1.00 0.00 N ATOM 1129 CA GLN A 77 13.772 2.133 -13.411 1.00 0.00 C ATOM 1130 C GLN A 77 12.614 1.860 -14.366 1.00 0.00 C ATOM 1131 O GLN A 77 12.647 2.266 -15.528 1.00 0.00 O ATOM 1132 CB GLN A 77 14.399 0.813 -12.961 1.00 0.00 C ATOM 1133 CG GLN A 77 15.039 0.026 -14.093 1.00 0.00 C ATOM 1134 CD GLN A 77 15.354 -1.405 -13.704 1.00 0.00 C ATOM 1135 OE1 GLN A 77 15.143 -2.333 -14.485 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.863 -1.591 -12.492 1.00 0.00 N ATOM 0 H GLN A 77 13.236 2.357 -11.396 1.00 0.00 H new ATOM 0 HA GLN A 77 14.523 2.723 -13.937 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.153 1.019 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.632 0.198 -12.490 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.370 0.026 -14.954 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.957 0.525 -14.403 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.021 -0.793 -11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.096 -2.532 -12.176 1.00 0.00 H new ATOM 1145 N ARG A 78 11.593 1.170 -13.869 1.00 0.00 N ATOM 1146 CA ARG A 78 10.427 0.842 -14.679 1.00 0.00 C ATOM 1147 C ARG A 78 9.169 0.770 -13.817 1.00 0.00 C ATOM 1148 O ARG A 78 9.235 0.440 -12.633 1.00 0.00 O ATOM 1149 CB ARG A 78 10.639 -0.489 -15.402 1.00 0.00 C ATOM 1150 CG ARG A 78 10.621 -1.695 -14.476 1.00 0.00 C ATOM 1151 CD ARG A 78 12.018 -2.043 -13.987 1.00 0.00 C ATOM 1152 NE ARG A 78 12.788 -2.763 -14.997 1.00 0.00 N ATOM 1153 CZ ARG A 78 12.713 -4.077 -15.181 1.00 0.00 C ATOM 1154 NH1 ARG A 78 11.905 -4.810 -14.427 1.00 0.00 N ATOM 1155 NH2 ARG A 78 13.445 -4.659 -16.121 1.00 0.00 N ATOM 0 H ARG A 78 11.550 0.827 -12.909 1.00 0.00 H new ATOM 0 HA ARG A 78 10.296 1.632 -15.418 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.863 -0.610 -16.158 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.593 -0.459 -15.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.976 -1.489 -13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.194 -2.550 -14.999 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.545 -1.129 -13.714 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.945 -2.651 -13.085 1.00 0.00 H new ATOM 0 HE ARG A 78 13.418 -2.228 -15.594 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.339 -4.365 -13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.849 -5.818 -14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.066 -4.098 -16.704 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.387 -5.668 -16.261 1.00 0.00 H new ATOM 1169 N ILE A 79 8.027 1.080 -14.420 1.00 0.00 N ATOM 1170 CA ILE A 79 6.755 1.050 -13.708 1.00 0.00 C ATOM 1171 C ILE A 79 5.793 0.053 -14.344 1.00 0.00 C ATOM 1172 O ILE A 79 5.710 -0.053 -15.567 1.00 0.00 O ATOM 1173 CB ILE A 79 6.092 2.440 -13.680 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.036 3.466 -13.049 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.777 2.384 -12.918 1.00 0.00 C ATOM 1176 CD1 ILE A 79 6.774 4.886 -13.501 1.00 0.00 C ATOM 0 H ILE A 79 7.956 1.355 -15.400 1.00 0.00 H new ATOM 0 HA ILE A 79 6.973 0.740 -12.686 1.00 0.00 H new ATOM 0 HB ILE A 79 5.883 2.748 -14.705 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.942 3.415 -11.964 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.064 3.200 -13.293 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.320 3.374 -12.907 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.104 1.679 -13.406 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.963 2.059 -11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.480 5.559 -13.014 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.897 4.952 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.757 5.171 -13.233 1.00 0.00 H new ATOM 1188 N GLY A 80 5.064 -0.676 -13.504 1.00 0.00 N ATOM 1189 CA GLY A 80 4.114 -1.654 -14.003 1.00 0.00 C ATOM 1190 C GLY A 80 3.616 -2.585 -12.915 1.00 0.00 C ATOM 1191 O GLY A 80 4.331 -2.866 -11.953 1.00 0.00 O ATOM 0 H GLY A 80 5.114 -0.607 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.266 -1.136 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.582 -2.241 -14.793 1.00 0.00 H new ATOM 1195 N LYS A 81 2.386 -3.065 -13.067 1.00 0.00 N ATOM 1196 CA LYS A 81 1.792 -3.969 -12.090 1.00 0.00 C ATOM 1197 C LYS A 81 1.939 -5.421 -12.534 1.00 0.00 C ATOM 1198 O LYS A 81 2.152 -6.290 -11.689 1.00 0.00 O ATOM 1199 CB LYS A 81 0.312 -3.634 -11.888 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.562 -4.002 -13.074 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.814 -2.804 -13.974 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.915 -1.913 -13.421 1.00 0.00 C ATOM 1203 NZ LYS A 81 -3.269 -2.476 -13.682 1.00 0.00 N ATOM 0 H LYS A 81 1.781 -2.843 -13.858 1.00 0.00 H new ATOM 0 HA LYS A 81 2.320 -3.840 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.052 -4.156 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.213 -2.566 -11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.083 -4.795 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.513 -4.397 -12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.105 -2.227 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.089 -3.148 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.775 -1.787 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.841 -0.923 -13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.993 -1.807 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.388 -2.636 -14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.373 -3.378 -13.176 1.00 0.00 H new TER 1217 LYS A 81 HETATM 1218 ZN ZN A 201 3.504 0.918 -0.029 1.00 0.00 ZN HETATM 1219 ZN ZN A 401 -1.060 2.699 -2.892 1.00 0.00 ZN HETATM 1220 ZN ZN A 601 16.822 -0.348 -2.634 1.00 0.00 ZN