USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=18 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: 1 68 ASN :FLIP amide:sc= -0.709 F(o=-12,f=-8.2) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -7.53 K(o=-8.2,f=-12!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -2.65 F(o=-6.5,f=-4.7) USER MOD Set 2.2: 1 33 THR OG1 : rot -150:sc= -2.07 USER MOD Set 3.1: 1 20 SER OG : rot 82:sc= 1.27 USER MOD Set 3.2: 1 23 ASN :FLIP amide:sc= 0.807 F(o=-2.3,f=2.1) USER MOD Single : 1 7 ASN : amide:sc= -0.0208 K(o=-0.021,f=-0.76) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -4.55 X(o=-4.6,f=-5!) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 94:sc= -3.33! USER MOD Single : 1 40 SER OG : rot -59:sc= -0.984 USER MOD Single : 1 41 GLN :FLIP amide:sc= -1.17 F(o=-1.9,f=-1.2) USER MOD Single : 1 43 ASN : amide:sc= -3.41! C(o=-3.4!,f=-6.8!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00672) USER MOD Single : 1 55 LYS NZ :NH3+ 160:sc= -1.19 (180deg=-1.98!) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 1.09 USER MOD Single : 1 71 TYR OH : rot 134:sc= 0.0655 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 153:sc= -0.313 (180deg=-1.26!) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.00394 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.643 17.113 12.687 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.577 16.484 11.399 1.00 0.00 C ATOM 44 C VAL 1 4 -0.373 17.019 10.642 1.00 0.00 C ATOM 45 O VAL 1 4 -0.453 18.046 9.968 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.864 16.731 10.584 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.264 15.472 9.841 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -4.006 17.202 11.476 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.478 15.408 11.545 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.656 17.521 9.862 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -4.173 15.660 9.270 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.463 15.180 9.162 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.444 14.669 10.556 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.897 17.367 10.870 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -4.215 16.443 12.230 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.724 18.134 11.967 1.00 0.00 H new ATOM 58 N CYS 1 5 0.751 16.328 10.778 1.00 0.00 N ATOM 59 CA CYS 1 5 1.984 16.755 10.120 1.00 0.00 C ATOM 60 C CYS 1 5 1.835 16.617 8.610 1.00 0.00 C ATOM 61 O CYS 1 5 2.000 15.533 8.050 1.00 0.00 O ATOM 62 CB CYS 1 5 3.201 15.934 10.599 1.00 0.00 C ATOM 63 SG CYS 1 5 2.996 15.084 12.208 1.00 0.00 S ATOM 0 H CYS 1 5 0.837 15.476 11.332 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.159 17.798 10.383 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.434 15.187 9.840 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.062 16.599 10.667 1.00 0.00 H new ATOM 68 N GLY 1 6 1.502 17.731 7.964 1.00 0.00 N ATOM 69 CA GLY 1 6 1.305 17.733 6.527 1.00 0.00 C ATOM 70 C GLY 1 6 -0.139 17.440 6.154 1.00 0.00 C ATOM 71 O GLY 1 6 -0.425 17.033 5.028 1.00 0.00 O ATOM 0 H GLY 1 6 1.365 18.636 8.414 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.595 18.702 6.122 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 1.957 16.988 6.070 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.048 17.641 7.110 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.471 17.389 6.894 1.00 0.00 C ATOM 77 C ASN 1 7 -2.707 15.922 6.574 1.00 0.00 C ATOM 78 O ASN 1 7 -1.922 15.304 5.855 1.00 0.00 O ATOM 79 CB ASN 1 7 -3.014 18.255 5.753 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.656 19.534 6.252 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -3.355 20.007 7.348 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.548 20.102 5.448 1.00 0.00 N ATOM 0 H ASN 1 7 -0.821 17.979 8.045 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.999 17.648 7.812 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.201 18.502 5.070 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.746 17.683 5.183 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -5.013 20.964 5.731 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.768 19.676 4.548 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.791 15.365 7.108 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.120 13.964 6.871 1.00 0.00 C ATOM 91 C LYS 1 8 -3.995 13.650 5.391 1.00 0.00 C ATOM 92 O LYS 1 8 -4.900 13.947 4.611 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.538 13.657 7.357 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.823 12.171 7.502 1.00 0.00 C ATOM 95 CD LYS 1 8 -6.442 11.596 6.238 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.960 11.586 6.316 1.00 0.00 C ATOM 97 NZ LYS 1 8 -8.551 10.482 5.511 1.00 0.00 N ATOM 0 H LYS 1 8 -4.453 15.860 7.705 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.422 13.340 7.429 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.697 14.144 8.319 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.254 14.089 6.658 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.897 11.642 7.728 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.496 12.009 8.344 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.125 12.184 5.376 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -6.078 10.580 6.083 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -8.269 11.482 7.356 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -8.348 12.541 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -9.588 10.510 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -8.277 10.595 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -8.201 9.569 5.865 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.856 13.079 4.999 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.627 12.769 3.583 1.00 0.00 C ATOM 113 C ILE 1 9 -3.874 12.177 2.945 1.00 0.00 C ATOM 114 O ILE 1 9 -4.561 11.346 3.538 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.423 11.832 3.336 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.495 10.567 4.191 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.122 12.571 3.593 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.571 9.598 3.753 1.00 0.00 C ATOM 0 H ILE 1 9 -2.091 12.825 5.624 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.387 13.723 3.114 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.459 11.520 2.292 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.529 10.062 4.160 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.673 10.850 5.228 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.719 11.900 3.416 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.051 13.427 2.922 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.098 12.917 4.626 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.562 8.725 4.406 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.545 10.085 3.811 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.383 9.285 2.726 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.176 12.640 1.743 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.356 12.185 1.027 1.00 0.00 C ATOM 132 C LEU 1 10 -4.991 11.233 -0.106 1.00 0.00 C ATOM 133 O LEU 1 10 -5.825 10.904 -0.950 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.129 13.396 0.493 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.307 14.416 -0.313 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.625 15.407 0.618 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.281 13.726 -1.203 1.00 0.00 C ATOM 0 H LEU 1 10 -3.619 13.332 1.242 1.00 0.00 H new ATOM 0 HA LEU 1 10 -5.989 11.631 1.720 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.942 13.035 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.585 13.912 1.337 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.995 14.960 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.048 16.121 0.030 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.379 15.940 1.198 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.959 14.872 1.294 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.718 14.476 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.598 13.143 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.792 13.065 -1.903 1.00 0.00 H new ATOM 149 N GLU 1 11 -3.740 10.799 -0.112 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.238 9.884 -1.133 1.00 0.00 C ATOM 151 C GLU 1 11 -1.750 9.609 -0.933 1.00 0.00 C ATOM 152 O GLU 1 11 -0.957 9.737 -1.866 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.465 10.470 -2.529 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.619 11.701 -2.816 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.279 12.647 -3.801 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.503 12.524 -4.014 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.570 13.512 -4.359 1.00 0.00 O ATOM 0 H GLU 1 11 -3.045 11.067 0.585 1.00 0.00 H new ATOM 0 HA GLU 1 11 -3.784 8.945 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.245 9.706 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.518 10.729 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.427 12.230 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -1.652 11.389 -3.210 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.370 9.243 0.286 1.00 0.00 N ATOM 165 CA GLN 1 12 0.030 8.969 0.584 1.00 0.00 C ATOM 166 C GLN 1 12 0.192 7.723 1.450 1.00 0.00 C ATOM 167 O GLN 1 12 0.615 6.675 0.971 1.00 0.00 O ATOM 168 CB GLN 1 12 0.664 10.180 1.273 1.00 0.00 C ATOM 169 CG GLN 1 12 0.412 11.494 0.548 1.00 0.00 C ATOM 170 CD GLN 1 12 1.311 11.680 -0.659 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.161 10.996 -1.670 1.00 0.00 O ATOM 172 NE2 GLN 1 12 2.252 12.612 -0.557 1.00 0.00 N ATOM 0 H GLN 1 12 -2.005 9.130 1.076 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.541 8.780 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.275 10.255 2.289 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.739 10.020 1.354 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.630 11.534 0.229 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.565 12.321 1.241 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 2.340 13.156 0.301 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 2.886 12.784 -1.337 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.128 7.852 2.730 1.00 0.00 N ATOM 182 CA GLY 1 13 0.002 6.737 3.653 1.00 0.00 C ATOM 183 C GLY 1 13 1.397 6.138 3.648 1.00 0.00 C ATOM 184 O GLY 1 13 1.597 5.019 4.119 1.00 0.00 O ATOM 0 H GLY 1 13 -0.478 8.713 3.150 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.242 7.073 4.661 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -0.722 5.966 3.390 1.00 0.00 H new ATOM 188 N GLU 1 14 2.355 6.898 3.111 1.00 0.00 N ATOM 189 CA GLU 1 14 3.756 6.482 3.014 1.00 0.00 C ATOM 190 C GLU 1 14 4.408 7.131 1.799 1.00 0.00 C ATOM 191 O GLU 1 14 5.626 7.272 1.733 1.00 0.00 O ATOM 192 CB GLU 1 14 3.897 4.958 2.915 1.00 0.00 C ATOM 193 CG GLU 1 14 4.236 4.287 4.235 1.00 0.00 C ATOM 194 CD GLU 1 14 3.430 3.025 4.474 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.663 2.027 3.759 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.564 3.034 5.374 1.00 0.00 O ATOM 0 H GLU 1 14 2.178 7.827 2.728 1.00 0.00 H new ATOM 0 HA GLU 1 14 4.257 6.807 3.926 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.965 4.540 2.534 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.673 4.721 2.187 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 5.298 4.043 4.252 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 4.057 4.988 5.051 1.00 0.00 H new ATOM 203 N ASP 1 15 3.584 7.536 0.839 1.00 0.00 N ATOM 204 CA ASP 1 15 4.073 8.180 -0.373 1.00 0.00 C ATOM 205 C ASP 1 15 5.027 9.316 -0.030 1.00 0.00 C ATOM 206 O ASP 1 15 6.220 9.264 -0.330 1.00 0.00 O ATOM 207 CB ASP 1 15 2.885 8.719 -1.171 1.00 0.00 C ATOM 208 CG ASP 1 15 3.300 9.358 -2.484 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.513 9.585 -2.678 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.411 9.629 -3.318 1.00 0.00 O ATOM 0 H ASP 1 15 2.570 7.429 0.878 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.615 7.447 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.189 7.905 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.351 9.453 -0.568 1.00 0.00 H new ATOM 215 N CYS 1 16 4.480 10.333 0.610 1.00 0.00 N ATOM 216 CA CYS 1 16 5.240 11.498 1.024 1.00 0.00 C ATOM 217 C CYS 1 16 4.386 12.324 1.964 1.00 0.00 C ATOM 218 O CYS 1 16 3.649 13.211 1.534 1.00 0.00 O ATOM 219 CB CYS 1 16 5.669 12.316 -0.195 1.00 0.00 C ATOM 220 SG CYS 1 16 6.888 13.645 0.134 1.00 0.00 S ATOM 0 H CYS 1 16 3.492 10.374 0.858 1.00 0.00 H new ATOM 0 HA CYS 1 16 6.147 11.186 1.543 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.090 11.637 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.781 12.764 -0.641 1.00 0.00 H new ATOM 225 N ASP 1 17 4.479 11.992 3.249 1.00 0.00 N ATOM 226 CA ASP 1 17 3.715 12.651 4.304 1.00 0.00 C ATOM 227 C ASP 1 17 2.600 11.729 4.771 1.00 0.00 C ATOM 228 O ASP 1 17 2.280 10.741 4.110 1.00 0.00 O ATOM 229 CB ASP 1 17 3.132 13.994 3.846 1.00 0.00 C ATOM 230 CG ASP 1 17 2.679 14.857 5.008 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.549 15.433 5.694 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.454 14.955 5.232 1.00 0.00 O ATOM 0 H ASP 1 17 5.092 11.252 3.590 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.396 12.862 5.128 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 3.882 14.534 3.268 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 2.287 13.812 3.182 1.00 0.00 H new ATOM 237 N CYS 1 18 2.019 12.050 5.911 1.00 0.00 N ATOM 238 CA CYS 1 18 0.945 11.246 6.468 1.00 0.00 C ATOM 239 C CYS 1 18 -0.089 12.130 7.139 1.00 0.00 C ATOM 240 O CYS 1 18 -1.272 11.792 7.178 1.00 0.00 O ATOM 241 CB CYS 1 18 1.501 10.236 7.478 1.00 0.00 C ATOM 242 SG CYS 1 18 1.212 8.496 7.024 1.00 0.00 S ATOM 0 H CYS 1 18 2.272 12.864 6.472 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.467 10.704 5.652 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.573 10.399 7.586 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.050 10.426 8.452 1.00 0.00 H new ATOM 247 N GLY 1 19 0.363 13.258 7.679 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.542 14.153 8.354 1.00 0.00 C ATOM 249 C GLY 1 19 -1.083 13.534 9.607 1.00 0.00 C ATOM 250 O GLY 1 19 -0.755 13.969 10.702 1.00 0.00 O ATOM 0 H GLY 1 19 1.336 13.562 7.658 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.025 15.081 8.598 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.365 14.412 7.688 1.00 0.00 H new ATOM 254 N SER 1 20 -1.912 12.512 9.451 1.00 0.00 N ATOM 255 CA SER 1 20 -2.502 11.849 10.593 1.00 0.00 C ATOM 256 C SER 1 20 -1.439 11.447 11.606 1.00 0.00 C ATOM 257 O SER 1 20 -0.737 10.451 11.436 1.00 0.00 O ATOM 258 CB SER 1 20 -3.316 10.641 10.157 1.00 0.00 C ATOM 259 OG SER 1 20 -2.489 9.634 9.599 1.00 0.00 O ATOM 0 H SER 1 20 -2.187 12.129 8.547 1.00 0.00 H new ATOM 0 HA SER 1 20 -3.175 12.556 11.077 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.857 10.237 11.013 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -4.062 10.948 9.424 1.00 0.00 H new ATOM 0 HG SER 1 20 -2.090 9.102 10.319 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.310 12.248 12.673 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.332 12.025 13.734 1.00 0.00 C ATOM 267 C PRO 1 21 -0.324 10.584 14.222 1.00 0.00 C ATOM 268 O PRO 1 21 0.702 10.083 14.683 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.773 12.981 14.856 1.00 0.00 C ATOM 270 CG PRO 1 21 -2.078 13.564 14.411 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.105 13.451 12.921 1.00 0.00 C ATOM 0 HA PRO 1 21 0.685 12.210 13.388 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.885 12.449 15.801 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -0.031 13.763 15.017 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.915 13.027 14.856 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -2.165 14.605 14.723 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.122 13.349 12.541 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.672 14.328 12.441 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.464 9.910 14.101 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.563 8.517 14.515 1.00 0.00 C ATOM 281 C ALA 1 22 -0.440 7.700 13.883 1.00 0.00 C ATOM 282 O ALA 1 22 -0.023 6.673 14.418 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.920 7.945 14.132 1.00 0.00 C ATOM 0 H ALA 1 22 -2.325 10.304 13.722 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.463 8.466 15.599 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.978 6.903 14.448 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.708 8.518 14.622 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -3.048 8.004 13.051 1.00 0.00 H new ATOM 289 N ASN 1 23 0.047 8.178 12.740 1.00 0.00 N ATOM 290 CA ASN 1 23 1.126 7.515 12.024 1.00 0.00 C ATOM 291 C ASN 1 23 2.392 8.375 12.023 1.00 0.00 C ATOM 292 O ASN 1 23 3.501 7.859 11.891 1.00 0.00 O ATOM 293 CB ASN 1 23 0.695 7.210 10.588 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.693 6.601 10.517 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -1.713 7.428 10.716 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 -0.846 5.402 10.286 1.00 0.00 N flip ATOM 0 H ASN 1 23 -0.294 9.028 12.290 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.350 6.579 12.535 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.716 8.129 10.002 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.412 6.526 10.134 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.033 4.803 10.139 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -1.785 5.007 10.241 1.00 0.00 H new ATOM 303 N CYS 1 24 2.220 9.691 12.178 1.00 0.00 N ATOM 304 CA CYS 1 24 3.353 10.617 12.200 1.00 0.00 C ATOM 305 C CYS 1 24 4.362 10.203 13.265 1.00 0.00 C ATOM 306 O CYS 1 24 4.148 10.421 14.457 1.00 0.00 O ATOM 307 CB CYS 1 24 2.866 12.049 12.463 1.00 0.00 C ATOM 308 SG CYS 1 24 4.058 13.358 12.010 1.00 0.00 S ATOM 0 H CYS 1 24 1.309 10.137 12.290 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.842 10.585 11.226 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 1.942 12.211 11.909 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.625 12.147 13.521 1.00 0.00 H new ATOM 313 N GLN 1 25 5.461 9.596 12.824 1.00 0.00 N ATOM 314 CA GLN 1 25 6.506 9.138 13.735 1.00 0.00 C ATOM 315 C GLN 1 25 6.059 7.883 14.476 1.00 0.00 C ATOM 316 O GLN 1 25 4.914 7.787 14.919 1.00 0.00 O ATOM 317 CB GLN 1 25 6.871 10.238 14.738 1.00 0.00 C ATOM 318 CG GLN 1 25 6.938 11.627 14.121 1.00 0.00 C ATOM 319 CD GLN 1 25 8.287 12.290 14.319 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.245 12.002 13.602 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.369 13.184 15.298 1.00 0.00 N ATOM 0 H GLN 1 25 5.651 9.410 11.839 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.390 8.899 13.143 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.136 10.242 15.543 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 7.835 10.002 15.188 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 6.725 11.557 13.054 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 6.162 12.253 14.561 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 7.549 13.392 15.868 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 9.252 13.662 15.479 1.00 0.00 H new ATOM 330 N ASP 1 26 6.968 6.920 14.604 1.00 0.00 N ATOM 331 CA ASP 1 26 6.669 5.664 15.287 1.00 0.00 C ATOM 332 C ASP 1 26 5.731 4.798 14.451 1.00 0.00 C ATOM 333 O ASP 1 26 4.939 4.024 14.989 1.00 0.00 O ATOM 334 CB ASP 1 26 6.047 5.930 16.661 1.00 0.00 C ATOM 335 CG ASP 1 26 6.788 7.005 17.434 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.462 8.197 17.252 1.00 0.00 O ATOM 337 OD2 ASP 1 26 7.693 6.654 18.219 1.00 0.00 O ATOM 0 H ASP 1 26 7.920 6.986 14.243 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.608 5.128 15.423 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.007 6.230 16.534 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 6.044 5.007 17.240 1.00 0.00 H new ATOM 342 N ARG 1 27 5.829 4.932 13.131 1.00 0.00 N ATOM 343 CA ARG 1 27 4.993 4.160 12.217 1.00 0.00 C ATOM 344 C ARG 1 27 5.769 3.798 10.954 1.00 0.00 C ATOM 345 O ARG 1 27 6.992 3.929 10.908 1.00 0.00 O ATOM 346 CB ARG 1 27 3.733 4.948 11.853 1.00 0.00 C ATOM 347 CG ARG 1 27 2.488 4.083 11.726 1.00 0.00 C ATOM 348 CD ARG 1 27 1.658 4.109 12.999 1.00 0.00 C ATOM 349 NE ARG 1 27 1.877 2.921 13.820 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.398 1.715 13.522 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.673 1.534 12.425 1.00 0.00 N ATOM 352 NH2 ARG 1 27 1.644 0.688 14.324 1.00 0.00 N ATOM 0 H ARG 1 27 6.480 5.568 12.670 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.698 3.238 12.719 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 3.559 5.710 12.613 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 3.900 5.469 10.911 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.884 4.434 10.890 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.778 3.057 11.501 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.907 4.999 13.576 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.601 4.182 12.741 1.00 0.00 H new ATOM 0 HE ARG 1 27 2.429 3.021 14.672 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.480 2.321 11.805 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.309 0.608 12.202 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 2.200 0.822 15.169 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 1.277 -0.236 14.096 1.00 0.00 H new ATOM 366 N CYS 1 28 5.053 3.342 9.930 1.00 0.00 N ATOM 367 CA CYS 1 28 5.683 2.964 8.670 1.00 0.00 C ATOM 368 C CYS 1 28 5.647 4.112 7.659 1.00 0.00 C ATOM 369 O CYS 1 28 6.043 3.943 6.505 1.00 0.00 O ATOM 370 CB CYS 1 28 4.996 1.727 8.085 1.00 0.00 C ATOM 371 SG CYS 1 28 5.800 0.153 8.531 1.00 0.00 S ATOM 0 H CYS 1 28 4.040 3.226 9.948 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.728 2.731 8.877 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.961 1.704 8.425 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 4.973 1.816 6.999 1.00 0.00 H new ATOM 376 N CYS 1 29 5.177 5.279 8.094 1.00 0.00 N ATOM 377 CA CYS 1 29 5.100 6.442 7.216 1.00 0.00 C ATOM 378 C CYS 1 29 5.676 7.680 7.893 1.00 0.00 C ATOM 379 O CYS 1 29 5.669 7.792 9.119 1.00 0.00 O ATOM 380 CB CYS 1 29 3.648 6.698 6.795 1.00 0.00 C ATOM 381 SG CYS 1 29 2.620 7.485 8.078 1.00 0.00 S ATOM 0 H CYS 1 29 4.845 5.443 9.045 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.695 6.232 6.327 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.646 7.330 5.907 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.192 5.749 6.512 1.00 0.00 H new ATOM 386 N ASN 1 30 6.173 8.607 7.083 1.00 0.00 N ATOM 387 CA ASN 1 30 6.753 9.839 7.599 1.00 0.00 C ATOM 388 C ASN 1 30 5.861 11.029 7.315 1.00 0.00 C ATOM 389 O ASN 1 30 5.902 11.609 6.228 1.00 0.00 O ATOM 390 CB ASN 1 30 8.128 10.079 6.989 1.00 0.00 C ATOM 391 CG ASN 1 30 9.213 9.253 7.653 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.227 9.248 8.981 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.029 8.625 6.979 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.186 8.528 6.066 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.850 9.727 8.679 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.096 9.842 5.926 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.379 11.136 7.073 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.982 8.657 5.961 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.753 8.073 7.439 1.00 0.00 H new ATOM 400 N ALA 1 31 5.089 11.409 8.320 1.00 0.00 N ATOM 401 CA ALA 1 31 4.214 12.565 8.214 1.00 0.00 C ATOM 402 C ALA 1 31 5.034 13.822 8.453 1.00 0.00 C ATOM 403 O ALA 1 31 4.685 14.911 7.999 1.00 0.00 O ATOM 404 CB ALA 1 31 3.045 12.470 9.196 1.00 0.00 C ATOM 0 H ALA 1 31 5.051 10.932 9.221 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.781 12.600 7.214 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.410 13.350 9.092 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.462 11.574 8.982 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.429 12.419 10.215 1.00 0.00 H new ATOM 410 N ALA 1 32 6.152 13.640 9.154 1.00 0.00 N ATOM 411 CA ALA 1 32 7.069 14.731 9.446 1.00 0.00 C ATOM 412 C ALA 1 32 8.292 14.651 8.540 1.00 0.00 C ATOM 413 O ALA 1 32 9.140 15.543 8.539 1.00 0.00 O ATOM 414 CB ALA 1 32 7.493 14.685 10.906 1.00 0.00 C ATOM 0 H ALA 1 32 6.443 12.738 9.531 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.558 15.675 9.259 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.179 15.507 11.112 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.614 14.778 11.543 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 7.990 13.737 11.111 1.00 0.00 H new ATOM 420 N THR 1 33 8.385 13.557 7.787 1.00 0.00 N ATOM 421 CA THR 1 33 9.509 13.331 6.892 1.00 0.00 C ATOM 422 C THR 1 33 9.044 13.074 5.458 1.00 0.00 C ATOM 423 O THR 1 33 9.809 12.584 4.627 1.00 0.00 O ATOM 424 CB THR 1 33 10.345 12.154 7.406 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.890 11.711 8.677 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.796 12.494 7.563 1.00 0.00 C ATOM 0 H THR 1 33 7.689 12.811 7.782 1.00 0.00 H new ATOM 0 HA THR 1 33 10.122 14.232 6.877 1.00 0.00 H new ATOM 0 HB THR 1 33 10.228 11.377 6.651 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.643 11.341 9.183 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.337 11.621 7.930 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.205 12.796 6.599 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.903 13.313 8.275 1.00 0.00 H new ATOM 434 N CYS 1 34 7.789 13.424 5.182 1.00 0.00 N ATOM 435 CA CYS 1 34 7.185 13.260 3.857 1.00 0.00 C ATOM 436 C CYS 1 34 7.746 12.070 3.076 1.00 0.00 C ATOM 437 O CYS 1 34 8.226 12.234 1.957 1.00 0.00 O ATOM 438 CB CYS 1 34 7.356 14.536 3.025 1.00 0.00 C ATOM 439 SG CYS 1 34 6.126 14.724 1.684 1.00 0.00 S ATOM 0 H CYS 1 34 7.158 13.831 5.873 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.128 13.062 4.034 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.291 15.400 3.687 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.355 14.542 2.590 1.00 0.00 H new ATOM 444 N LYS 1 35 7.679 10.869 3.639 1.00 0.00 N ATOM 445 CA LYS 1 35 8.175 9.697 2.912 1.00 0.00 C ATOM 446 C LYS 1 35 8.010 8.391 3.677 1.00 0.00 C ATOM 447 O LYS 1 35 8.125 8.342 4.898 1.00 0.00 O ATOM 448 CB LYS 1 35 9.641 9.877 2.524 1.00 0.00 C ATOM 449 CG LYS 1 35 9.941 9.416 1.107 1.00 0.00 C ATOM 450 CD LYS 1 35 9.685 10.521 0.096 1.00 0.00 C ATOM 451 CE LYS 1 35 10.629 11.694 0.304 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.624 12.625 -0.858 1.00 0.00 N ATOM 0 H LYS 1 35 7.300 10.679 4.567 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.558 9.625 2.017 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.911 10.928 2.623 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.267 9.320 3.222 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.980 9.094 1.040 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.323 8.551 0.866 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.808 10.128 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.654 10.863 0.182 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.341 12.236 1.205 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.640 11.321 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.281 13.411 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.923 12.114 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.664 13.001 -0.998 1.00 0.00 H new ATOM 466 N LEU 1 36 7.764 7.321 2.931 1.00 0.00 N ATOM 467 CA LEU 1 36 7.614 5.997 3.529 1.00 0.00 C ATOM 468 C LEU 1 36 8.883 5.628 4.295 1.00 0.00 C ATOM 469 O LEU 1 36 9.982 5.657 3.741 1.00 0.00 O ATOM 470 CB LEU 1 36 7.315 4.942 2.456 1.00 0.00 C ATOM 471 CG LEU 1 36 8.500 4.545 1.571 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.064 3.537 0.515 1.00 0.00 C ATOM 473 CD2 LEU 1 36 9.112 5.776 0.919 1.00 0.00 C ATOM 0 H LEU 1 36 7.664 7.342 1.916 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.772 6.023 4.221 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.936 4.046 2.948 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.516 5.317 1.816 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.258 4.076 2.198 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.919 3.266 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 7.673 2.645 1.003 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.288 3.978 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 9.953 5.476 0.293 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 8.362 6.273 0.304 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 9.461 6.462 1.691 1.00 0.00 H new ATOM 485 N THR 1 37 8.731 5.307 5.575 1.00 0.00 N ATOM 486 CA THR 1 37 9.874 4.963 6.416 1.00 0.00 C ATOM 487 C THR 1 37 10.625 3.744 5.893 1.00 0.00 C ATOM 488 O THR 1 37 10.078 2.929 5.151 1.00 0.00 O ATOM 489 CB THR 1 37 9.423 4.704 7.849 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.310 3.831 7.875 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.041 5.964 8.587 1.00 0.00 C ATOM 0 H THR 1 37 7.830 5.277 6.053 1.00 0.00 H new ATOM 0 HA THR 1 37 10.554 5.815 6.392 1.00 0.00 H new ATOM 0 HB THR 1 37 10.282 4.256 8.349 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.620 2.909 7.993 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.729 5.712 9.601 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.898 6.636 8.628 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.219 6.456 8.067 1.00 0.00 H new ATOM 499 N PRO 1 38 11.900 3.607 6.295 1.00 0.00 N ATOM 500 CA PRO 1 38 12.750 2.484 5.888 1.00 0.00 C ATOM 501 C PRO 1 38 12.052 1.139 6.047 1.00 0.00 C ATOM 502 O PRO 1 38 11.276 0.937 6.981 1.00 0.00 O ATOM 503 CB PRO 1 38 13.932 2.586 6.852 1.00 0.00 C ATOM 504 CG PRO 1 38 14.030 4.037 7.163 1.00 0.00 C ATOM 505 CD PRO 1 38 12.615 4.542 7.190 1.00 0.00 C ATOM 0 HA PRO 1 38 13.025 2.536 4.835 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.762 1.997 7.753 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.850 2.214 6.396 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.522 4.200 8.122 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.618 4.560 6.409 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.202 4.527 8.199 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.548 5.570 6.833 1.00 0.00 H new ATOM 513 N GLY 1 39 12.331 0.222 5.128 1.00 0.00 N ATOM 514 CA GLY 1 39 11.720 -1.093 5.184 1.00 0.00 C ATOM 515 C GLY 1 39 10.445 -1.174 4.368 1.00 0.00 C ATOM 516 O GLY 1 39 10.184 -2.182 3.711 1.00 0.00 O ATOM 0 H GLY 1 39 12.969 0.365 4.345 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.429 -1.836 4.819 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.500 -1.345 6.222 1.00 0.00 H new ATOM 520 N SER 1 40 9.649 -0.110 4.409 1.00 0.00 N ATOM 521 CA SER 1 40 8.395 -0.063 3.667 1.00 0.00 C ATOM 522 C SER 1 40 8.635 -0.303 2.179 1.00 0.00 C ATOM 523 O SER 1 40 9.193 0.547 1.486 1.00 0.00 O ATOM 524 CB SER 1 40 7.706 1.288 3.877 1.00 0.00 C ATOM 525 OG SER 1 40 8.487 2.348 3.353 1.00 0.00 O ATOM 0 H SER 1 40 9.851 0.732 4.949 1.00 0.00 H new ATOM 0 HA SER 1 40 7.747 -0.855 4.043 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.729 1.280 3.394 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.535 1.450 4.941 1.00 0.00 H new ATOM 0 HG SER 1 40 9.362 2.359 3.794 1.00 0.00 H new ATOM 531 N GLN 1 41 8.215 -1.468 1.696 1.00 0.00 N ATOM 532 CA GLN 1 41 8.389 -1.818 0.291 1.00 0.00 C ATOM 533 C GLN 1 41 7.435 -1.022 -0.590 1.00 0.00 C ATOM 534 O GLN 1 41 7.741 -0.724 -1.744 1.00 0.00 O ATOM 535 CB GLN 1 41 8.158 -3.318 0.081 1.00 0.00 C ATOM 536 CG GLN 1 41 9.434 -4.142 0.132 1.00 0.00 C ATOM 537 CD GLN 1 41 9.988 -4.445 -1.246 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.084 -3.419 -2.084 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 10.326 -5.587 -1.555 1.00 0.00 N flip ATOM 0 H GLN 1 41 7.753 -2.184 2.256 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.412 -1.571 0.008 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.470 -3.682 0.844 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.674 -3.471 -0.884 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.185 -3.606 0.712 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.237 -5.078 0.654 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.235 -6.346 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.697 -5.775 -2.486 1.00 0.00 H new ATOM 548 N CYS 1 42 6.276 -0.683 -0.039 1.00 0.00 N ATOM 549 CA CYS 1 42 5.278 0.076 -0.779 1.00 0.00 C ATOM 550 C CYS 1 42 4.396 0.883 0.164 1.00 0.00 C ATOM 551 O CYS 1 42 3.986 0.397 1.218 1.00 0.00 O ATOM 552 CB CYS 1 42 4.418 -0.864 -1.621 1.00 0.00 C ATOM 553 SG CYS 1 42 3.155 -0.013 -2.618 1.00 0.00 S ATOM 0 H CYS 1 42 6.005 -0.921 0.915 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.800 0.770 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 5.066 -1.437 -2.285 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.926 -1.579 -0.962 1.00 0.00 H new ATOM 558 N ASN 1 43 4.106 2.117 -0.227 1.00 0.00 N ATOM 559 CA ASN 1 43 3.268 2.995 0.577 1.00 0.00 C ATOM 560 C ASN 1 43 1.820 2.524 0.554 1.00 0.00 C ATOM 561 O ASN 1 43 1.119 2.574 1.565 1.00 0.00 O ATOM 562 CB ASN 1 43 3.359 4.431 0.059 1.00 0.00 C ATOM 563 CG ASN 1 43 3.138 4.520 -1.438 1.00 0.00 C ATOM 564 OD1 ASN 1 43 3.743 3.777 -2.212 1.00 0.00 O ATOM 565 ND2 ASN 1 43 2.268 5.431 -1.854 1.00 0.00 N ATOM 0 H ASN 1 43 4.439 2.532 -1.097 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.627 2.965 1.606 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.619 5.046 0.570 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.339 4.841 0.304 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.078 5.537 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.789 6.025 -1.177 1.00 0.00 H new ATOM 572 N TYR 1 44 1.384 2.062 -0.611 1.00 0.00 N ATOM 573 CA TYR 1 44 0.023 1.572 -0.789 1.00 0.00 C ATOM 574 C TYR 1 44 -0.181 1.087 -2.219 1.00 0.00 C ATOM 575 O TYR 1 44 0.648 1.339 -3.093 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.995 2.669 -0.465 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.011 3.790 -1.477 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.536 3.596 -2.748 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.490 5.034 -1.164 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.542 4.613 -3.679 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.489 6.060 -2.085 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.017 5.847 -3.344 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.019 6.866 -4.269 1.00 0.00 O ATOM 0 H TYR 1 44 1.958 2.016 -1.453 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.130 0.739 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.989 2.226 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.773 3.081 0.519 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.946 2.632 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.077 5.204 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.954 4.447 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.078 7.024 -1.824 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.615 7.667 -3.874 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.289 0.399 -2.454 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.575 -0.099 -3.783 1.00 0.00 C ATOM 595 C GLY 1 45 -2.167 -1.491 -3.769 1.00 0.00 C ATOM 596 O GLY 1 45 -2.499 -2.025 -2.710 1.00 0.00 O ATOM 0 H GLY 1 45 -1.993 0.177 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.267 0.581 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.657 -0.105 -4.370 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.300 -2.078 -4.950 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.861 -3.417 -5.083 1.00 0.00 C ATOM 602 C GLU 1 46 -2.070 -4.436 -4.268 1.00 0.00 C ATOM 603 O GLU 1 46 -2.647 -5.282 -3.585 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.871 -3.833 -6.552 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.048 -3.275 -7.335 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.736 -3.096 -8.808 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.586 -4.117 -9.512 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.640 -1.935 -9.258 1.00 0.00 O ATOM 0 H GLU 1 46 -2.026 -1.647 -5.833 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.881 -3.392 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.944 -3.502 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -2.888 -4.921 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.902 -3.944 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.340 -2.315 -6.910 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.749 -4.356 -4.358 1.00 0.00 N ATOM 616 CA CYS 1 47 0.128 -5.279 -3.645 1.00 0.00 C ATOM 617 C CYS 1 47 0.808 -4.599 -2.464 1.00 0.00 C ATOM 618 O CYS 1 47 1.961 -4.889 -2.162 1.00 0.00 O ATOM 619 CB CYS 1 47 1.197 -5.812 -4.598 1.00 0.00 C ATOM 620 SG CYS 1 47 0.742 -7.353 -5.441 1.00 0.00 S ATOM 0 H CYS 1 47 -0.259 -3.660 -4.919 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.484 -6.098 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.411 -5.051 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.118 -5.976 -4.038 1.00 0.00 H new ATOM 625 N CYS 1 48 0.109 -3.688 -1.803 1.00 0.00 N ATOM 626 CA CYS 1 48 0.698 -2.980 -0.674 1.00 0.00 C ATOM 627 C CYS 1 48 -0.218 -2.988 0.543 1.00 0.00 C ATOM 628 O CYS 1 48 -1.425 -2.775 0.433 1.00 0.00 O ATOM 629 CB CYS 1 48 1.029 -1.544 -1.077 1.00 0.00 C ATOM 630 SG CYS 1 48 1.666 -1.381 -2.779 1.00 0.00 S ATOM 0 H CYS 1 48 -0.851 -3.424 -2.023 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.614 -3.501 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.132 -0.933 -0.975 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.768 -1.144 -0.383 1.00 0.00 H new ATOM 635 N ASP 1 49 0.378 -3.230 1.706 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.360 -3.264 2.962 1.00 0.00 C ATOM 637 C ASP 1 49 0.555 -2.886 4.122 1.00 0.00 C ATOM 638 O ASP 1 49 1.568 -3.545 4.364 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.957 -4.654 3.193 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.432 -4.715 2.848 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.915 -3.806 2.140 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.105 -5.671 3.288 1.00 0.00 O ATOM 0 H ASP 1 49 1.378 -3.407 1.804 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.173 -2.541 2.906 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.415 -5.383 2.591 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.819 -4.937 4.237 1.00 0.00 H new ATOM 647 N GLN 1 50 0.198 -1.818 4.831 1.00 0.00 N ATOM 648 CA GLN 1 50 0.991 -1.346 5.964 1.00 0.00 C ATOM 649 C GLN 1 50 2.339 -0.808 5.492 1.00 0.00 C ATOM 650 O GLN 1 50 2.597 0.394 5.559 1.00 0.00 O ATOM 651 CB GLN 1 50 1.200 -2.473 6.981 1.00 0.00 C ATOM 652 CG GLN 1 50 0.352 -2.326 8.233 1.00 0.00 C ATOM 653 CD GLN 1 50 1.129 -1.750 9.400 1.00 0.00 C ATOM 654 OE1 GLN 1 50 1.284 -2.395 10.437 1.00 0.00 O ATOM 655 NE2 GLN 1 50 1.624 -0.528 9.237 1.00 0.00 N ATOM 0 H GLN 1 50 -0.636 -1.262 4.641 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.444 -0.536 6.447 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.970 -3.427 6.506 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.252 -2.504 7.266 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -0.501 -1.682 8.016 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.047 -3.301 8.513 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 1.472 -0.029 8.361 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.156 -0.089 9.988 1.00 0.00 H new ATOM 664 N CYS 1 51 3.194 -1.705 5.012 1.00 0.00 N ATOM 665 CA CYS 1 51 4.515 -1.321 4.526 1.00 0.00 C ATOM 666 C CYS 1 51 5.264 -2.527 3.965 1.00 0.00 C ATOM 667 O CYS 1 51 6.479 -2.645 4.121 1.00 0.00 O ATOM 668 CB CYS 1 51 5.336 -0.664 5.643 1.00 0.00 C ATOM 669 SG CYS 1 51 4.904 -1.215 7.328 1.00 0.00 S ATOM 0 H CYS 1 51 2.996 -2.704 4.949 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.376 -0.597 3.723 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 6.392 -0.868 5.468 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.206 0.417 5.584 1.00 0.00 H new ATOM 674 N ARG 1 52 4.530 -3.421 3.308 1.00 0.00 N ATOM 675 CA ARG 1 52 5.126 -4.616 2.719 1.00 0.00 C ATOM 676 C ARG 1 52 4.267 -5.139 1.571 1.00 0.00 C ATOM 677 O ARG 1 52 3.055 -4.926 1.548 1.00 0.00 O ATOM 678 CB ARG 1 52 5.297 -5.704 3.782 1.00 0.00 C ATOM 679 CG ARG 1 52 6.686 -5.741 4.398 1.00 0.00 C ATOM 680 CD ARG 1 52 7.555 -6.805 3.747 1.00 0.00 C ATOM 681 NE ARG 1 52 8.980 -6.533 3.926 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.942 -7.415 3.664 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.637 -8.625 3.212 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.212 -7.086 3.854 1.00 0.00 N ATOM 0 H ARG 1 52 3.523 -3.341 3.170 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.106 -4.348 2.325 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.563 -5.547 4.572 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.081 -6.674 3.335 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.160 -4.766 4.289 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.606 -5.939 5.467 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.316 -7.779 4.173 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.327 -6.858 2.682 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.253 -5.613 4.272 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 8.661 -8.883 3.064 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 10.378 -9.297 3.013 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.452 -6.157 4.201 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.949 -7.762 3.653 1.00 0.00 H new ATOM 698 N PHE 1 53 4.898 -5.822 0.619 1.00 0.00 N ATOM 699 CA PHE 1 53 4.175 -6.367 -0.524 1.00 0.00 C ATOM 700 C PHE 1 53 3.277 -7.517 -0.097 1.00 0.00 C ATOM 701 O PHE 1 53 3.675 -8.368 0.698 1.00 0.00 O ATOM 702 CB PHE 1 53 5.141 -6.842 -1.615 1.00 0.00 C ATOM 703 CG PHE 1 53 5.778 -5.718 -2.378 1.00 0.00 C ATOM 704 CD1 PHE 1 53 5.029 -4.621 -2.761 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.121 -5.758 -2.713 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.599 -3.585 -3.461 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.702 -4.721 -3.417 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.940 -3.631 -3.793 1.00 0.00 C ATOM 0 H PHE 1 53 5.901 -6.010 0.617 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.557 -5.567 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.922 -7.450 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.603 -7.485 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.980 -4.578 -2.506 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.720 -6.608 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.999 -2.735 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.750 -4.762 -3.673 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.390 -2.819 -4.344 1.00 0.00 H new ATOM 718 N LYS 1 54 2.064 -7.540 -0.634 1.00 0.00 N ATOM 719 CA LYS 1 54 1.114 -8.594 -0.306 1.00 0.00 C ATOM 720 C LYS 1 54 1.660 -9.951 -0.734 1.00 0.00 C ATOM 721 O LYS 1 54 1.574 -10.318 -1.902 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.231 -8.331 -0.987 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.151 -7.426 -0.185 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.351 -6.980 -1.006 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.639 -7.069 -0.205 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.835 -7.181 -1.085 1.00 0.00 N ATOM 0 H LYS 1 54 1.716 -6.845 -1.295 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.965 -8.600 0.774 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.053 -7.881 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.733 -9.283 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.494 -7.952 0.706 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.596 -6.551 0.155 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.201 -5.954 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.433 -7.600 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.595 -7.933 0.459 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.735 -6.186 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.677 -6.855 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.699 -6.594 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.965 -8.173 -1.369 1.00 0.00 H new ATOM 740 N LYS 1 55 2.229 -10.689 0.219 1.00 0.00 N ATOM 741 CA LYS 1 55 2.804 -12.011 -0.054 1.00 0.00 C ATOM 742 C LYS 1 55 2.118 -12.692 -1.236 1.00 0.00 C ATOM 743 O LYS 1 55 0.889 -12.796 -1.279 1.00 0.00 O ATOM 744 CB LYS 1 55 2.698 -12.898 1.188 1.00 0.00 C ATOM 745 CG LYS 1 55 3.350 -14.261 1.019 1.00 0.00 C ATOM 746 CD LYS 1 55 3.917 -14.773 2.333 1.00 0.00 C ATOM 747 CE LYS 1 55 5.321 -14.243 2.578 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.316 -12.792 2.912 1.00 0.00 N ATOM 0 H LYS 1 55 2.305 -10.394 1.192 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.853 -11.867 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.161 -12.385 2.031 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.646 -13.036 1.437 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.617 -14.971 0.636 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.147 -14.195 0.278 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.265 -14.473 3.153 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.935 -15.863 2.323 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.783 -14.801 3.392 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.932 -14.409 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.204 -12.543 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.227 -12.235 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 4.513 -12.583 3.539 1.00 0.00 H new ATOM 762 N ALA 1 56 2.920 -13.143 -2.200 1.00 0.00 N ATOM 763 CA ALA 1 56 2.392 -13.805 -3.385 1.00 0.00 C ATOM 764 C ALA 1 56 1.265 -14.750 -3.016 1.00 0.00 C ATOM 765 O ALA 1 56 1.368 -15.516 -2.058 1.00 0.00 O ATOM 766 CB ALA 1 56 3.481 -14.562 -4.118 1.00 0.00 C ATOM 0 H ALA 1 56 3.936 -13.061 -2.181 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.001 -13.033 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.058 -15.046 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.263 -13.868 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 3.907 -15.317 -3.458 1.00 0.00 H new ATOM 772 N GLY 1 57 0.183 -14.673 -3.765 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.962 -15.512 -3.482 1.00 0.00 C ATOM 774 C GLY 1 57 -2.125 -14.699 -2.963 1.00 0.00 C ATOM 775 O GLY 1 57 -3.250 -15.193 -2.874 1.00 0.00 O ATOM 0 H GLY 1 57 0.073 -14.047 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.261 -16.041 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.688 -16.269 -2.747 1.00 0.00 H new ATOM 779 N THR 1 58 -1.856 -13.436 -2.636 1.00 0.00 N ATOM 780 CA THR 1 58 -2.888 -12.539 -2.148 1.00 0.00 C ATOM 781 C THR 1 58 -3.700 -11.994 -3.318 1.00 0.00 C ATOM 782 O THR 1 58 -3.194 -11.208 -4.119 1.00 0.00 O ATOM 783 CB THR 1 58 -2.264 -11.381 -1.371 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.540 -11.857 -0.250 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.289 -10.391 -0.874 1.00 0.00 C ATOM 0 H THR 1 58 -0.929 -13.016 -2.702 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.546 -13.097 -1.481 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.601 -10.877 -2.075 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.672 -12.204 -0.544 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.788 -9.591 -0.329 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.829 -9.970 -1.722 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.991 -10.896 -0.211 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.953 -12.417 -3.421 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.812 -11.965 -4.507 1.00 0.00 C ATOM 795 C VAL 1 59 -6.152 -10.484 -4.364 1.00 0.00 C ATOM 796 O VAL 1 59 -6.806 -10.080 -3.403 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.124 -12.774 -4.573 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.905 -12.636 -3.275 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.969 -12.332 -5.760 1.00 0.00 C ATOM 0 H VAL 1 59 -5.395 -13.067 -2.771 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.252 -12.122 -5.429 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.871 -13.826 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.827 -13.214 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.303 -13.008 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.146 -11.587 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.890 -12.915 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.212 -11.274 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.411 -12.490 -6.683 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.709 -9.679 -5.326 1.00 0.00 N ATOM 810 CA CYS 1 60 -5.978 -8.243 -5.296 1.00 0.00 C ATOM 811 C CYS 1 60 -7.067 -7.854 -6.297 1.00 0.00 C ATOM 812 O CYS 1 60 -7.666 -6.784 -6.187 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.709 -7.446 -5.596 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.201 -8.114 -4.827 1.00 0.00 S ATOM 0 H CYS 1 60 -5.166 -9.993 -6.131 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.327 -8.004 -4.291 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.565 -7.408 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.851 -6.420 -5.257 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.310 -8.718 -7.279 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.318 -8.448 -8.304 1.00 0.00 C ATOM 821 C ARG 1 61 -8.890 -9.744 -8.877 1.00 0.00 C ATOM 822 O ARG 1 61 -8.527 -10.841 -8.454 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.716 -7.600 -9.434 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.464 -6.299 -9.686 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.497 -5.924 -11.168 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.280 -6.316 -11.885 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.064 -5.858 -11.598 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.893 -4.953 -10.643 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.015 -6.298 -12.281 1.00 0.00 N ATOM 0 H ARG 1 61 -6.825 -9.609 -7.388 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.131 -7.895 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -6.678 -7.371 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.707 -8.187 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.485 -6.392 -9.315 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -7.991 -5.496 -9.121 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.358 -6.399 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.636 -4.847 -11.262 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.371 -6.982 -12.652 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.697 -4.603 -10.122 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.957 -4.607 -10.430 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.142 -6.985 -13.024 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.082 -5.949 -12.063 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.783 -9.600 -9.850 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.408 -10.740 -10.503 1.00 0.00 C ATOM 845 C ILE 1 62 -11.389 -10.264 -11.561 1.00 0.00 C ATOM 846 O ILE 1 62 -12.170 -9.341 -11.330 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.142 -11.652 -9.500 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.856 -12.797 -10.227 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.135 -10.846 -8.681 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.918 -13.725 -10.967 1.00 0.00 C ATOM 0 H ILE 1 62 -10.091 -8.695 -10.205 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.611 -11.322 -10.967 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.402 -12.084 -8.826 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.428 -13.376 -9.502 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.571 -12.377 -10.935 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.645 -11.504 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.606 -10.067 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.867 -10.387 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.494 -14.510 -11.457 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.364 -13.160 -11.717 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.219 -14.174 -10.261 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.338 -10.893 -12.723 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.220 -10.524 -13.818 1.00 0.00 C ATOM 864 C ALA 1 63 -13.688 -10.730 -13.430 1.00 0.00 C ATOM 865 O ALA 1 63 -14.285 -9.865 -12.790 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.846 -11.284 -15.086 1.00 0.00 C ATOM 0 H ALA 1 63 -10.698 -11.659 -12.932 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.093 -9.462 -14.028 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.517 -10.995 -15.895 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.819 -11.046 -15.364 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.934 -12.356 -14.907 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.268 -11.871 -13.797 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.659 -12.156 -13.455 1.00 0.00 C ATOM 874 C ARG 1 64 -15.852 -13.629 -13.108 1.00 0.00 C ATOM 875 O ARG 1 64 -16.222 -14.432 -13.962 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.579 -11.770 -14.616 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.974 -11.359 -14.175 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.929 -10.197 -13.196 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.157 -9.407 -13.227 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.519 -8.638 -14.252 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.750 -8.552 -15.330 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.653 -7.952 -14.198 1.00 0.00 N ATOM 0 H ARG 1 64 -13.801 -12.607 -14.327 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.917 -11.562 -12.578 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.125 -10.949 -15.171 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.657 -12.613 -15.302 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.565 -11.079 -15.047 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.475 -12.208 -13.710 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.769 -10.579 -12.188 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.080 -9.556 -13.433 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.774 -9.447 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.876 -9.077 -15.376 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -19.032 -7.961 -16.112 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.247 -8.014 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.931 -7.363 -14.983 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.615 -13.981 -11.851 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.778 -15.360 -11.433 1.00 0.00 C ATOM 898 C GLY 1 65 -14.534 -15.911 -10.773 1.00 0.00 C ATOM 899 O GLY 1 65 -14.234 -15.588 -9.624 1.00 0.00 O ATOM 0 H GLY 1 65 -15.314 -13.340 -11.117 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.616 -15.430 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.029 -15.973 -12.299 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.805 -16.742 -11.508 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.578 -17.339 -10.995 1.00 0.00 C ATOM 905 C ASP 1 66 -11.947 -18.273 -12.022 1.00 0.00 C ATOM 906 O ASP 1 66 -12.258 -19.463 -12.075 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.851 -18.098 -9.694 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.757 -17.891 -8.665 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.599 -16.748 -8.187 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.057 -18.873 -8.337 1.00 0.00 O ATOM 0 H ASP 1 66 -14.042 -17.018 -12.461 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.876 -16.530 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.804 -17.771 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.946 -19.162 -9.910 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.054 -17.718 -12.830 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.358 -18.481 -13.861 1.00 0.00 C ATOM 917 C TRP 1 67 -8.857 -18.426 -13.630 1.00 0.00 C ATOM 918 O TRP 1 67 -8.224 -19.421 -13.276 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.682 -17.920 -15.252 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.481 -16.651 -15.221 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.083 -15.425 -14.758 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.825 -16.488 -15.673 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.102 -14.521 -14.888 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.180 -15.146 -15.453 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.762 -17.348 -16.244 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.432 -14.646 -15.783 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.009 -16.852 -16.574 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.334 -15.510 -16.343 1.00 0.00 C ATOM 0 H TRP 1 67 -10.792 -16.733 -12.791 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.694 -19.517 -13.807 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.750 -17.739 -15.787 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.233 -18.672 -15.818 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.108 -15.204 -14.350 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.064 -13.541 -14.609 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.518 -18.384 -16.425 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.686 -13.612 -15.604 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.743 -17.509 -17.016 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.316 -15.149 -16.612 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.308 -17.241 -13.832 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.886 -16.995 -13.651 1.00 0.00 C ATOM 941 C ASN 1 68 -6.651 -16.214 -12.369 1.00 0.00 C ATOM 942 O ASN 1 68 -5.607 -16.341 -11.730 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.327 -16.203 -14.831 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.998 -16.554 -16.147 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.224 -16.071 -16.339 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.423 -17.252 -16.983 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.836 -16.420 -14.127 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.377 -17.957 -13.592 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.451 -15.137 -14.638 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.256 -16.390 -14.913 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.483 -17.602 -16.796 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.886 -17.480 -17.863 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.639 -15.404 -12.003 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.563 -14.594 -10.800 1.00 0.00 C ATOM 955 C ASP 1 69 -6.434 -13.587 -10.872 1.00 0.00 C ATOM 956 O ASP 1 69 -5.601 -13.619 -11.777 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.341 -15.477 -9.583 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.625 -16.091 -9.061 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.318 -16.772 -9.846 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.938 -15.890 -7.869 1.00 0.00 O ATOM 0 H ASP 1 69 -8.506 -15.293 -12.529 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.509 -14.060 -10.715 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.641 -16.272 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.877 -14.888 -8.792 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.401 -12.714 -9.878 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.365 -11.709 -9.775 1.00 0.00 C ATOM 967 C ASP 1 70 -4.639 -11.885 -8.463 1.00 0.00 C ATOM 968 O ASP 1 70 -5.218 -11.688 -7.398 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.954 -10.307 -9.874 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.879 -9.245 -9.954 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.769 -9.491 -9.442 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.146 -8.169 -10.525 1.00 0.00 O ATOM 0 H ASP 1 70 -7.089 -12.685 -9.126 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.664 -11.832 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.593 -10.243 -10.755 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.587 -10.118 -9.007 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.386 -12.304 -8.536 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.621 -12.556 -7.332 1.00 0.00 C ATOM 979 C TYR 1 71 -1.303 -11.820 -7.286 1.00 0.00 C ATOM 980 O TYR 1 71 -0.621 -11.654 -8.297 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.364 -14.043 -7.208 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.582 -14.793 -6.775 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.984 -14.748 -5.458 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.332 -15.531 -7.675 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -5.101 -15.420 -5.030 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.457 -16.212 -7.267 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.842 -16.157 -5.938 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.964 -16.834 -5.520 1.00 0.00 O ATOM 0 H TYR 1 71 -2.884 -12.474 -9.407 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.217 -12.184 -6.499 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.022 -14.432 -8.167 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.561 -14.212 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.408 -14.172 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.030 -15.573 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.400 -15.374 -3.993 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.034 -16.784 -7.978 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.698 -16.671 -6.149 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.948 -11.405 -6.082 1.00 0.00 N ATOM 999 CA CYS 1 72 0.296 -10.705 -5.852 1.00 0.00 C ATOM 1000 C CYS 1 72 1.476 -11.636 -6.084 1.00 0.00 C ATOM 1001 O CYS 1 72 1.314 -12.856 -6.139 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.334 -10.163 -4.429 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.487 -8.776 -4.211 1.00 0.00 S ATOM 0 H CYS 1 72 -1.512 -11.544 -5.244 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.363 -9.872 -6.552 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.668 -9.840 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.614 -10.968 -3.750 1.00 0.00 H new ATOM 1008 N THR 1 73 2.659 -11.057 -6.219 1.00 0.00 N ATOM 1009 CA THR 1 73 3.866 -11.839 -6.447 1.00 0.00 C ATOM 1010 C THR 1 73 4.914 -11.561 -5.369 1.00 0.00 C ATOM 1011 O THR 1 73 6.018 -12.104 -5.411 1.00 0.00 O ATOM 1012 CB THR 1 73 4.434 -11.529 -7.832 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.210 -10.344 -7.804 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.361 -11.352 -8.888 1.00 0.00 C ATOM 0 H THR 1 73 2.810 -10.049 -6.175 1.00 0.00 H new ATOM 0 HA THR 1 73 3.604 -12.896 -6.396 1.00 0.00 H new ATOM 0 HB THR 1 73 5.045 -12.392 -8.095 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.566 -10.165 -8.699 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.828 -11.134 -9.848 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.775 -12.268 -8.969 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.707 -10.527 -8.607 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.561 -10.715 -4.402 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.481 -10.387 -3.330 1.00 0.00 C ATOM 1024 C GLY 1 74 6.771 -9.772 -3.836 1.00 0.00 C ATOM 1025 O GLY 1 74 7.809 -9.868 -3.181 1.00 0.00 O ATOM 0 H GLY 1 74 3.654 -10.252 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.998 -9.694 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.711 -11.290 -2.764 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.710 -9.142 -5.005 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.889 -8.515 -5.591 1.00 0.00 C ATOM 1031 C LYS 1 75 7.547 -7.185 -6.261 1.00 0.00 C ATOM 1032 O LYS 1 75 8.362 -6.631 -6.998 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.535 -9.454 -6.612 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.649 -10.892 -6.132 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.953 -11.527 -6.582 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.850 -13.043 -6.620 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.696 -13.501 -7.443 1.00 0.00 N ATOM 0 H LYS 1 75 5.861 -9.052 -5.563 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.591 -8.316 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.952 -9.433 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.530 -9.082 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.586 -10.920 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.809 -11.472 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.218 -11.154 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.755 -11.233 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.772 -13.459 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.746 -13.425 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.896 -14.447 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.841 -13.540 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 8.544 -12.836 -8.228 1.00 0.00 H new ATOM 1051 N SER 1 76 6.345 -6.671 -6.008 1.00 0.00 N ATOM 1052 CA SER 1 76 5.928 -5.406 -6.601 1.00 0.00 C ATOM 1053 C SER 1 76 4.638 -4.887 -5.970 1.00 0.00 C ATOM 1054 O SER 1 76 3.955 -5.605 -5.241 1.00 0.00 O ATOM 1055 CB SER 1 76 5.737 -5.568 -8.110 1.00 0.00 C ATOM 1056 OG SER 1 76 4.666 -6.450 -8.398 1.00 0.00 O ATOM 0 H SER 1 76 5.650 -7.107 -5.402 1.00 0.00 H new ATOM 0 HA SER 1 76 6.715 -4.677 -6.409 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.542 -4.595 -8.561 1.00 0.00 H new ATOM 0 HB3 SER 1 76 6.655 -5.948 -8.557 1.00 0.00 H new ATOM 0 HG SER 1 76 4.564 -6.535 -9.369 1.00 0.00 H new ATOM 1062 N SER 1 77 4.316 -3.632 -6.268 1.00 0.00 N ATOM 1063 CA SER 1 77 3.110 -2.992 -5.747 1.00 0.00 C ATOM 1064 C SER 1 77 1.923 -3.216 -6.679 1.00 0.00 C ATOM 1065 O SER 1 77 0.876 -2.587 -6.524 1.00 0.00 O ATOM 1066 CB SER 1 77 3.346 -1.493 -5.558 1.00 0.00 C ATOM 1067 OG SER 1 77 3.868 -0.906 -6.738 1.00 0.00 O ATOM 0 H SER 1 77 4.878 -3.033 -6.873 1.00 0.00 H new ATOM 0 HA SER 1 77 2.880 -3.444 -4.782 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.409 -1.005 -5.289 1.00 0.00 H new ATOM 0 HB3 SER 1 77 4.038 -1.332 -4.731 1.00 0.00 H new ATOM 0 HG SER 1 77 4.008 0.053 -6.592 1.00 0.00 H new ATOM 1073 N ASP 1 78 2.089 -4.111 -7.648 1.00 0.00 N ATOM 1074 CA ASP 1 78 1.025 -4.407 -8.599 1.00 0.00 C ATOM 1075 C ASP 1 78 0.605 -5.871 -8.512 1.00 0.00 C ATOM 1076 O ASP 1 78 1.418 -6.748 -8.221 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.478 -4.078 -10.022 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.145 -2.653 -10.420 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.024 -2.424 -10.921 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.005 -1.767 -10.232 1.00 0.00 O ATOM 0 H ASP 1 78 2.948 -4.642 -7.795 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.165 -3.787 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.554 -4.233 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.003 -4.768 -10.720 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.674 -6.120 -8.763 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.225 -7.470 -8.713 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.758 -7.893 -10.085 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.794 -7.399 -10.530 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.351 -7.523 -7.680 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.132 -8.803 -6.407 1.00 0.00 S ATOM 0 H CYS 1 79 -1.354 -5.399 -9.005 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.431 -8.160 -8.427 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.429 -6.551 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.295 -7.697 -8.196 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.061 -8.814 -10.777 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.482 -9.291 -12.102 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.727 -10.177 -12.038 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.779 -11.133 -11.265 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.277 -10.101 -12.582 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.388 -10.561 -11.332 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.189 -9.458 -10.330 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.755 -8.468 -12.762 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.587 -10.944 -13.200 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.394 -9.492 -13.187 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.049 -11.494 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.448 -10.749 -11.500 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.100 -9.847 -9.316 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 1.025 -8.758 -10.331 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.726 -9.848 -12.858 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.980 -10.610 -12.899 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.984 -11.668 -13.996 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.823 -12.568 -14.006 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.176 -9.678 -13.077 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.151 -8.843 -14.323 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.102 -8.610 -15.169 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.255 -8.117 -14.850 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.495 -7.767 -16.181 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.817 -7.454 -16.005 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.575 -7.967 -14.445 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -7.660 -6.646 -16.759 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.418 -7.168 -15.192 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -8.956 -6.514 -16.340 1.00 0.00 C ATOM 0 H TRP 1 81 -3.693 -9.059 -13.504 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.061 -11.125 -11.942 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.087 -10.277 -13.078 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.231 -9.014 -12.214 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.112 -9.027 -15.058 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.900 -7.430 -16.938 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.937 -8.468 -13.559 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.305 -6.140 -17.645 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.447 -7.046 -14.887 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -9.635 -5.893 -16.906 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.044 -11.551 -14.908 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.920 -12.490 -16.018 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.177 -12.485 -16.883 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.657 -13.537 -17.305 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.654 -13.902 -15.491 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.179 -14.164 -15.259 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.401 -14.279 -16.206 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.787 -14.262 -13.994 1.00 0.00 N ATOM 0 H ASN 1 82 -3.344 -10.809 -14.908 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.078 -12.174 -16.634 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.197 -14.047 -14.557 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.042 -14.631 -16.202 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.806 -14.439 -13.776 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.466 -14.160 -13.240 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.704 -11.293 -17.145 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.906 -11.151 -17.959 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.738 -10.038 -18.988 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.639 -9.880 -19.839 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.115 -10.862 -17.069 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.213 -11.775 -15.888 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.547 -11.339 -14.623 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.013 -13.109 -15.782 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.546 -12.365 -13.791 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.226 -13.449 -14.471 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -5.708 -9.334 -18.935 1.00 0.00 O ATOM 0 H HIS 1 83 -5.318 -10.412 -16.806 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.070 -12.089 -18.490 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.061 -9.831 -16.719 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.024 -10.950 -17.664 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.761 -10.375 -14.369 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.737 -13.781 -16.581 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.769 -12.323 -12.735 1.00 0.00 H new