USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -1 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 50 THR OG1 : rot 108:sc= -0.439 USER MOD Set 2.2: A 61 ASN : amide:sc= -2.16 K(o=-1.8,f=-11!) USER MOD Set 2.3: A 62 THR OG1 : rot 71:sc= 0.824 USER MOD Set 3.1: A 40 THR OG1 : rot 180:sc= 0.934 USER MOD Set 3.2: A 52 THR OG1 : rot 116:sc= 1.3 USER MOD Set 4.1: A 37 ASN : amide:sc= -6.12! C(o=-5.4!,f=-8.6!) USER MOD Set 4.2: A 38 THR OG1 : rot 180:sc= 0.703 USER MOD Single : A 1 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.041) USER MOD Single : A 1 GLN N :NH3+ -148:sc= 0.0292 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 57:sc= 1.17 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 24:sc= 0.29 USER MOD Single : A 20 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.8!) USER MOD Single : A 23 ASN :FLIP amide:sc= -2.47! C(o=-6.9!,f=-2.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc=0.000288 USER MOD Single : A 28 THR OG1 : rot -170:sc= -1.24! USER MOD Single : A 29 ASN : amide:sc= -2.98 X(o=-3,f=-3) USER MOD Single : A 30 SER OG : rot -97:sc= -1.67! USER MOD Single : A 31 GLN : amide:sc= -6.03! C(o=-6!,f=-7.1!) USER MOD Single : A 32 HIS : no HE2:sc= -0.231 X(o=-0.23,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -0.0502 (180deg=-0.966) USER MOD Single : A 42 SER OG : rot 180:sc= -3.07 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.437! USER MOD Single : A 46 ASN : amide:sc=-0.000701 K(o=-0.0007,f=-0.69) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 54 SER OG : rot -165:sc= 0.845! USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= -0.234 (180deg=-2.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 66 SER OG : rot 70:sc= 1.26 USER MOD Single : A 68 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.7!) USER MOD Single : A 70 TYR OH : rot 54:sc= 2.16 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 77 ASN : amide:sc= -0.169 K(o=-0.17,f=-4.2!) USER MOD Single : A 78 SER OG : rot 173:sc= 1.05 USER MOD Single : A 84 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.231 15.680 4.035 1.00 0.00 N ATOM 2 CA GLN A 1 -8.785 15.793 3.711 1.00 0.00 C ATOM 3 C GLN A 1 -8.577 16.272 2.277 1.00 0.00 C ATOM 4 O GLN A 1 -9.522 16.691 1.609 1.00 0.00 O ATOM 5 CB GLN A 1 -8.132 14.424 3.913 1.00 0.00 C ATOM 6 CG GLN A 1 -6.822 14.482 4.682 1.00 0.00 C ATOM 7 CD GLN A 1 -7.022 14.803 6.150 1.00 0.00 C ATOM 8 OE1 GLN A 1 -7.173 13.906 6.979 1.00 0.00 O ATOM 9 NE2 GLN A 1 -7.026 16.090 6.480 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.379 15.891 5.043 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.770 16.356 3.457 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.558 14.714 3.832 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.326 16.529 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -8.827 13.774 4.445 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -7.952 13.969 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -6.308 13.525 4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -6.175 15.236 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -6.897 16.801 5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -7.158 16.367 7.453 1.00 0.00 H new ATOM 20 N CYS A 2 -7.334 16.209 1.812 1.00 0.00 N ATOM 21 CA CYS A 2 -7.002 16.636 0.457 1.00 0.00 C ATOM 22 C CYS A 2 -7.759 15.808 -0.576 1.00 0.00 C ATOM 23 O CYS A 2 -7.515 14.612 -0.729 1.00 0.00 O ATOM 24 CB CYS A 2 -5.496 16.516 0.218 1.00 0.00 C ATOM 25 SG CYS A 2 -4.526 17.917 0.864 1.00 0.00 S ATOM 0 H CYS A 2 -6.540 15.867 2.353 1.00 0.00 H new ATOM 0 HA CYS A 2 -7.299 17.679 0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.138 15.596 0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.315 16.426 -0.853 1.00 0.00 H new ATOM 30 N THR A 3 -8.681 16.454 -1.283 1.00 0.00 N ATOM 31 CA THR A 3 -9.474 15.778 -2.303 1.00 0.00 C ATOM 32 C THR A 3 -8.817 15.901 -3.674 1.00 0.00 C ATOM 33 O THR A 3 -8.321 14.919 -4.226 1.00 0.00 O ATOM 34 CB THR A 3 -10.888 16.360 -2.349 1.00 0.00 C ATOM 35 OG1 THR A 3 -11.507 16.274 -1.076 1.00 0.00 O ATOM 36 CG2 THR A 3 -11.790 15.664 -3.345 1.00 0.00 C ATOM 0 H THR A 3 -8.897 17.444 -1.168 1.00 0.00 H new ATOM 0 HA THR A 3 -9.531 14.722 -2.041 1.00 0.00 H new ATOM 0 HB THR A 3 -10.763 17.397 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.410 16.653 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.777 16.126 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.366 15.754 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.878 14.610 -3.082 1.00 0.00 H new ATOM 44 N GLY A 4 -8.817 17.114 -4.218 1.00 0.00 N ATOM 45 CA GLY A 4 -8.218 17.343 -5.520 1.00 0.00 C ATOM 46 C GLY A 4 -9.085 16.834 -6.653 1.00 0.00 C ATOM 47 O GLY A 4 -10.183 17.342 -6.880 1.00 0.00 O ATOM 0 H GLY A 4 -9.221 17.942 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.041 18.410 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.246 16.851 -5.561 1.00 0.00 H new ATOM 51 N GLY A 5 -8.592 15.827 -7.368 1.00 0.00 N ATOM 52 CA GLY A 5 -9.345 15.266 -8.474 1.00 0.00 C ATOM 53 C GLY A 5 -8.455 14.580 -9.494 1.00 0.00 C ATOM 54 O GLY A 5 -8.384 13.353 -9.538 1.00 0.00 O ATOM 0 H GLY A 5 -7.685 15.390 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.070 14.549 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.910 16.059 -8.964 1.00 0.00 H new ATOM 58 N ALA A 6 -7.776 15.375 -10.314 1.00 0.00 N ATOM 59 CA ALA A 6 -6.889 14.837 -11.337 1.00 0.00 C ATOM 60 C ALA A 6 -5.553 14.413 -10.736 1.00 0.00 C ATOM 61 O ALA A 6 -5.209 13.231 -10.736 1.00 0.00 O ATOM 62 CB ALA A 6 -6.674 15.863 -12.441 1.00 0.00 C ATOM 0 H ALA A 6 -7.823 16.394 -10.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.361 13.953 -11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.009 15.448 -13.199 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.632 16.114 -12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.226 16.763 -12.019 1.00 0.00 H new ATOM 68 N ASP A 7 -4.803 15.385 -10.227 1.00 0.00 N ATOM 69 CA ASP A 7 -3.504 15.112 -9.622 1.00 0.00 C ATOM 70 C ASP A 7 -3.434 15.672 -8.206 1.00 0.00 C ATOM 71 O ASP A 7 -4.155 16.609 -7.861 1.00 0.00 O ATOM 72 CB ASP A 7 -2.385 15.710 -10.476 1.00 0.00 C ATOM 73 CG ASP A 7 -2.522 15.349 -11.942 1.00 0.00 C ATOM 74 OD1 ASP A 7 -3.306 16.017 -12.648 1.00 0.00 O ATOM 75 OD2 ASP A 7 -1.844 14.398 -12.385 1.00 0.00 O ATOM 0 H ASP A 7 -5.072 16.369 -10.221 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.375 14.031 -9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.390 16.795 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.422 15.358 -10.106 1.00 0.00 H new ATOM 80 N CYS A 8 -2.561 15.092 -7.388 1.00 0.00 N ATOM 81 CA CYS A 8 -2.396 15.533 -6.007 1.00 0.00 C ATOM 82 C CYS A 8 -0.919 15.723 -5.670 1.00 0.00 C ATOM 83 O CYS A 8 -0.350 14.967 -4.883 1.00 0.00 O ATOM 84 CB CYS A 8 -3.027 14.522 -5.048 1.00 0.00 C ATOM 85 SG CYS A 8 -4.816 14.758 -4.790 1.00 0.00 S ATOM 0 H CYS A 8 -1.957 14.316 -7.658 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.901 16.492 -5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.856 13.517 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.520 14.586 -4.085 1.00 0.00 H new ATOM 90 N THR A 9 -0.305 16.736 -6.272 1.00 0.00 N ATOM 91 CA THR A 9 1.104 17.025 -6.035 1.00 0.00 C ATOM 92 C THR A 9 1.265 18.187 -5.059 1.00 0.00 C ATOM 93 O THR A 9 1.592 19.305 -5.456 1.00 0.00 O ATOM 94 CB THR A 9 1.809 17.349 -7.353 1.00 0.00 C ATOM 95 OG1 THR A 9 1.324 18.564 -7.895 1.00 0.00 O ATOM 96 CG2 THR A 9 1.636 16.276 -8.405 1.00 0.00 C ATOM 0 H THR A 9 -0.761 17.370 -6.928 1.00 0.00 H new ATOM 0 HA THR A 9 1.561 16.139 -5.595 1.00 0.00 H new ATOM 0 HB THR A 9 2.868 17.422 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.439 19.283 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.161 16.570 -9.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.046 15.336 -8.037 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.576 16.148 -8.624 1.00 0.00 H new ATOM 104 N SER A 10 1.033 17.913 -3.779 1.00 0.00 N ATOM 105 CA SER A 10 1.154 18.934 -2.745 1.00 0.00 C ATOM 106 C SER A 10 0.915 18.338 -1.361 1.00 0.00 C ATOM 107 O SER A 10 1.614 18.669 -0.404 1.00 0.00 O ATOM 108 CB SER A 10 0.160 20.069 -3.002 1.00 0.00 C ATOM 109 OG SER A 10 0.390 21.157 -2.123 1.00 0.00 O ATOM 0 H SER A 10 0.760 16.993 -3.433 1.00 0.00 H new ATOM 0 HA SER A 10 2.168 19.332 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.248 20.407 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.858 19.702 -2.872 1.00 0.00 H new ATOM 0 HG SER A 10 -0.257 21.870 -2.308 1.00 0.00 H new ATOM 115 N CYS A 11 -0.075 17.458 -1.264 1.00 0.00 N ATOM 116 CA CYS A 11 -0.406 16.815 0.001 1.00 0.00 C ATOM 117 C CYS A 11 0.338 15.492 0.151 1.00 0.00 C ATOM 118 O CYS A 11 0.773 14.898 -0.836 1.00 0.00 O ATOM 119 CB CYS A 11 -1.914 16.577 0.100 1.00 0.00 C ATOM 120 SG CYS A 11 -2.925 18.015 -0.381 1.00 0.00 S ATOM 0 H CYS A 11 -0.663 17.174 -2.048 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.096 17.480 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.180 15.731 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.161 16.299 1.125 1.00 0.00 H new ATOM 125 N THR A 12 0.481 15.037 1.391 1.00 0.00 N ATOM 126 CA THR A 12 1.173 13.783 1.669 1.00 0.00 C ATOM 127 C THR A 12 0.494 13.032 2.811 1.00 0.00 C ATOM 128 O THR A 12 1.147 12.319 3.573 1.00 0.00 O ATOM 129 CB THR A 12 2.638 14.050 2.016 1.00 0.00 C ATOM 130 OG1 THR A 12 2.761 15.219 2.806 1.00 0.00 O ATOM 131 CG2 THR A 12 3.518 14.224 0.798 1.00 0.00 C ATOM 0 H THR A 12 0.128 15.517 2.219 1.00 0.00 H new ATOM 0 HA THR A 12 1.129 13.164 0.773 1.00 0.00 H new ATOM 0 HB THR A 12 2.972 13.168 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.705 15.372 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.544 14.410 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.484 13.319 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.161 15.069 0.209 1.00 0.00 H new ATOM 139 N GLY A 13 -0.819 13.200 2.922 1.00 0.00 N ATOM 140 CA GLY A 13 -1.565 12.534 3.973 1.00 0.00 C ATOM 141 C GLY A 13 -2.301 11.306 3.475 1.00 0.00 C ATOM 142 O GLY A 13 -1.837 10.180 3.654 1.00 0.00 O ATOM 0 H GLY A 13 -1.380 13.785 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.882 12.245 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.282 13.233 4.404 1.00 0.00 H new ATOM 146 N ALA A 14 -3.454 11.521 2.848 1.00 0.00 N ATOM 147 CA ALA A 14 -4.255 10.422 2.326 1.00 0.00 C ATOM 148 C ALA A 14 -4.757 10.722 0.917 1.00 0.00 C ATOM 149 O ALA A 14 -5.159 11.845 0.615 1.00 0.00 O ATOM 150 CB ALA A 14 -5.428 10.136 3.254 1.00 0.00 C ATOM 0 H ALA A 14 -3.853 12.446 2.690 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.619 9.538 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.018 9.313 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.053 9.865 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.053 11.025 3.334 1.00 0.00 H new ATOM 156 N CYS A 15 -4.731 9.707 0.060 1.00 0.00 N ATOM 157 CA CYS A 15 -5.185 9.855 -1.319 1.00 0.00 C ATOM 158 C CYS A 15 -6.671 9.526 -1.433 1.00 0.00 C ATOM 159 O CYS A 15 -7.056 8.357 -1.479 1.00 0.00 O ATOM 160 CB CYS A 15 -4.371 8.943 -2.242 1.00 0.00 C ATOM 161 SG CYS A 15 -3.478 9.819 -3.568 1.00 0.00 S ATOM 0 H CYS A 15 -4.400 8.772 0.296 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.036 10.891 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.651 8.387 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.041 8.212 -2.694 1.00 0.00 H new ATOM 166 N THR A 16 -7.502 10.563 -1.472 1.00 0.00 N ATOM 167 CA THR A 16 -8.947 10.382 -1.574 1.00 0.00 C ATOM 168 C THR A 16 -9.500 11.109 -2.795 1.00 0.00 C ATOM 169 O THR A 16 -9.276 12.306 -2.971 1.00 0.00 O ATOM 170 CB THR A 16 -9.635 10.895 -0.309 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.349 12.267 -0.103 1.00 0.00 O ATOM 172 CG2 THR A 16 -9.221 10.147 0.938 1.00 0.00 C ATOM 0 H THR A 16 -7.200 11.537 -1.435 1.00 0.00 H new ATOM 0 HA THR A 16 -9.149 9.316 -1.684 1.00 0.00 H new ATOM 0 HB THR A 16 -10.701 10.736 -0.473 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.109 12.683 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.745 10.559 1.800 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.474 9.092 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.146 10.249 1.084 1.00 0.00 H new ATOM 180 N GLY A 17 -10.221 10.374 -3.638 1.00 0.00 N ATOM 181 CA GLY A 17 -10.793 10.964 -4.837 1.00 0.00 C ATOM 182 C GLY A 17 -9.787 11.806 -5.598 1.00 0.00 C ATOM 183 O GLY A 17 -10.011 12.994 -5.837 1.00 0.00 O ATOM 0 H GLY A 17 -10.419 9.381 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.167 10.172 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.648 11.582 -4.563 1.00 0.00 H new ATOM 187 N CYS A 18 -8.672 11.191 -5.974 1.00 0.00 N ATOM 188 CA CYS A 18 -7.622 11.890 -6.706 1.00 0.00 C ATOM 189 C CYS A 18 -6.912 10.952 -7.675 1.00 0.00 C ATOM 190 O CYS A 18 -6.487 9.860 -7.300 1.00 0.00 O ATOM 191 CB CYS A 18 -6.608 12.496 -5.733 1.00 0.00 C ATOM 192 SG CYS A 18 -5.660 13.892 -6.421 1.00 0.00 S ATOM 0 H CYS A 18 -8.471 10.209 -5.784 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.089 12.690 -7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.134 12.833 -4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.912 11.718 -5.419 1.00 0.00 H new ATOM 197 N GLY A 19 -6.782 11.388 -8.923 1.00 0.00 N ATOM 198 CA GLY A 19 -6.121 10.575 -9.928 1.00 0.00 C ATOM 199 C GLY A 19 -4.733 10.134 -9.503 1.00 0.00 C ATOM 200 O GLY A 19 -4.555 9.026 -8.999 1.00 0.00 O ATOM 0 H GLY A 19 -7.122 12.290 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.730 9.695 -10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.050 11.140 -10.857 1.00 0.00 H new ATOM 204 N ASN A 20 -3.748 11.000 -9.713 1.00 0.00 N ATOM 205 CA ASN A 20 -2.368 10.689 -9.356 1.00 0.00 C ATOM 206 C ASN A 20 -2.097 10.970 -7.879 1.00 0.00 C ATOM 207 O ASN A 20 -2.650 11.904 -7.299 1.00 0.00 O ATOM 208 CB ASN A 20 -1.402 11.499 -10.223 1.00 0.00 C ATOM 209 CG ASN A 20 -1.743 11.416 -11.698 1.00 0.00 C ATOM 210 OD1 ASN A 20 -2.796 11.883 -12.130 1.00 0.00 O ATOM 211 ND2 ASN A 20 -0.851 10.818 -12.478 1.00 0.00 N ATOM 0 H ASN A 20 -3.879 11.922 -10.128 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.211 9.625 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.421 12.542 -9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.386 11.137 -10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.026 10.731 -13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.009 10.445 -12.076 1.00 0.00 H new ATOM 218 N CYS A 21 -1.233 10.153 -7.284 1.00 0.00 N ATOM 219 CA CYS A 21 -0.869 10.302 -5.879 1.00 0.00 C ATOM 220 C CYS A 21 0.571 10.804 -5.758 1.00 0.00 C ATOM 221 O CYS A 21 1.433 10.423 -6.550 1.00 0.00 O ATOM 222 CB CYS A 21 -1.024 8.962 -5.152 1.00 0.00 C ATOM 223 SG CYS A 21 -1.582 9.102 -3.422 1.00 0.00 S ATOM 0 H CYS A 21 -0.770 9.377 -7.756 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.534 11.032 -5.418 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.735 8.345 -5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.067 8.440 -5.171 1.00 0.00 H new ATOM 228 N PRO A 22 0.854 11.675 -4.771 1.00 0.00 N ATOM 229 CA PRO A 22 2.195 12.223 -4.573 1.00 0.00 C ATOM 230 C PRO A 22 3.108 11.293 -3.779 1.00 0.00 C ATOM 231 O PRO A 22 4.262 11.633 -3.530 1.00 0.00 O ATOM 232 CB PRO A 22 1.926 13.499 -3.781 1.00 0.00 C ATOM 233 CG PRO A 22 0.693 13.207 -2.991 1.00 0.00 C ATOM 234 CD PRO A 22 -0.105 12.196 -3.779 1.00 0.00 C ATOM 0 HA PRO A 22 2.713 12.378 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.764 13.744 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.778 14.352 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.949 12.814 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.113 14.116 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.486 11.401 -3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.967 12.657 -4.262 1.00 0.00 H new ATOM 242 N ASN A 23 2.568 10.131 -3.383 1.00 0.00 N ATOM 243 CA ASN A 23 3.293 9.114 -2.601 1.00 0.00 C ATOM 244 C ASN A 23 2.681 8.971 -1.208 1.00 0.00 C ATOM 245 O ASN A 23 3.373 8.639 -0.244 1.00 0.00 O ATOM 246 CB ASN A 23 4.801 9.411 -2.490 1.00 0.00 C ATOM 247 CG ASN A 23 5.163 10.359 -1.350 1.00 0.00 C ATOM 248 OD1 ASN A 23 4.261 11.278 -1.009 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 6.250 10.264 -0.779 1.00 0.00 N flip ATOM 0 H ASN A 23 1.607 9.867 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 23 3.190 8.173 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.337 8.472 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.147 9.841 -3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.917 9.548 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.484 10.902 -0.018 1.00 0.00 H new ATOM 256 N ALA A 24 1.381 9.228 -1.111 1.00 0.00 N ATOM 257 CA ALA A 24 0.673 9.134 0.158 1.00 0.00 C ATOM 258 C ALA A 24 0.865 7.766 0.804 1.00 0.00 C ATOM 259 O ALA A 24 1.335 6.825 0.165 1.00 0.00 O ATOM 260 CB ALA A 24 -0.807 9.411 -0.049 1.00 0.00 C ATOM 0 H ALA A 24 0.796 9.504 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 24 1.090 9.883 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.328 9.338 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.936 10.413 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.220 8.680 -0.744 1.00 0.00 H new ATOM 266 N VAL A 25 0.494 7.666 2.075 1.00 0.00 N ATOM 267 CA VAL A 25 0.618 6.417 2.812 1.00 0.00 C ATOM 268 C VAL A 25 -0.609 5.539 2.596 1.00 0.00 C ATOM 269 O VAL A 25 -0.496 4.381 2.193 1.00 0.00 O ATOM 270 CB VAL A 25 0.795 6.673 4.321 1.00 0.00 C ATOM 271 CG1 VAL A 25 0.971 5.363 5.073 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.974 7.601 4.569 1.00 0.00 C ATOM 0 H VAL A 25 0.104 8.437 2.616 1.00 0.00 H new ATOM 0 HA VAL A 25 1.503 5.905 2.434 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.107 7.158 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.094 5.568 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.092 4.737 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.854 4.844 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.084 7.771 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.884 7.146 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.800 8.553 4.067 1.00 0.00 H new ATOM 282 N THR A 26 -1.781 6.102 2.865 1.00 0.00 N ATOM 283 CA THR A 26 -3.036 5.378 2.701 1.00 0.00 C ATOM 284 C THR A 26 -3.884 6.008 1.601 1.00 0.00 C ATOM 285 O THR A 26 -3.901 7.229 1.442 1.00 0.00 O ATOM 286 CB THR A 26 -3.818 5.362 4.017 1.00 0.00 C ATOM 287 OG1 THR A 26 -3.361 6.383 4.885 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.711 4.047 4.759 1.00 0.00 C ATOM 0 H THR A 26 -1.889 7.060 3.198 1.00 0.00 H new ATOM 0 HA THR A 26 -2.801 4.353 2.415 1.00 0.00 H new ATOM 0 HB THR A 26 -4.859 5.520 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.874 6.357 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.288 4.102 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.102 3.244 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.666 3.847 4.995 1.00 0.00 H new ATOM 296 N CYS A 27 -4.586 5.171 0.846 1.00 0.00 N ATOM 297 CA CYS A 27 -5.436 5.651 -0.237 1.00 0.00 C ATOM 298 C CYS A 27 -6.894 5.281 0.005 1.00 0.00 C ATOM 299 O CYS A 27 -7.215 4.129 0.292 1.00 0.00 O ATOM 300 CB CYS A 27 -4.978 5.073 -1.578 1.00 0.00 C ATOM 301 SG CYS A 27 -3.485 5.860 -2.262 1.00 0.00 S ATOM 0 H CYS A 27 -4.583 4.158 0.964 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.351 6.737 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.789 4.007 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.789 5.172 -2.299 1.00 0.00 H new ATOM 306 N THR A 28 -7.774 6.264 -0.125 1.00 0.00 N ATOM 307 CA THR A 28 -9.200 6.043 0.062 1.00 0.00 C ATOM 308 C THR A 28 -9.920 6.171 -1.273 1.00 0.00 C ATOM 309 O THR A 28 -10.488 7.217 -1.586 1.00 0.00 O ATOM 310 CB THR A 28 -9.771 7.043 1.067 1.00 0.00 C ATOM 311 OG1 THR A 28 -8.756 7.513 1.937 1.00 0.00 O ATOM 312 CG2 THR A 28 -10.878 6.465 1.923 1.00 0.00 C ATOM 0 H THR A 28 -7.524 7.225 -0.360 1.00 0.00 H new ATOM 0 HA THR A 28 -9.351 5.038 0.455 1.00 0.00 H new ATOM 0 HB THR A 28 -10.184 7.854 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.162 8.025 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.239 7.227 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.698 6.137 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.495 5.615 2.487 1.00 0.00 H new ATOM 320 N ASN A 29 -9.866 5.102 -2.071 1.00 0.00 N ATOM 321 CA ASN A 29 -10.477 5.077 -3.378 1.00 0.00 C ATOM 322 C ASN A 29 -9.564 5.764 -4.378 1.00 0.00 C ATOM 323 O ASN A 29 -8.420 6.103 -4.070 1.00 0.00 O ATOM 324 CB ASN A 29 -11.862 5.738 -3.364 1.00 0.00 C ATOM 325 CG ASN A 29 -12.943 4.830 -3.917 1.00 0.00 C ATOM 326 OD1 ASN A 29 -13.277 4.892 -5.101 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.497 3.979 -3.060 1.00 0.00 N ATOM 0 H ASN A 29 -9.394 4.234 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.618 4.037 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.116 6.020 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.829 6.657 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.230 3.343 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.189 3.962 -2.088 1.00 0.00 H new ATOM 334 N SER A 30 -10.083 5.956 -5.570 1.00 0.00 N ATOM 335 CA SER A 30 -9.346 6.600 -6.662 1.00 0.00 C ATOM 336 C SER A 30 -8.434 5.604 -7.373 1.00 0.00 C ATOM 337 O SER A 30 -8.604 4.394 -7.244 1.00 0.00 O ATOM 338 CB SER A 30 -8.522 7.780 -6.139 1.00 0.00 C ATOM 339 OG SER A 30 -8.717 8.924 -6.950 1.00 0.00 O ATOM 0 H SER A 30 -11.030 5.673 -5.822 1.00 0.00 H new ATOM 0 HA SER A 30 -10.078 6.971 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.809 8.003 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.465 7.514 -6.124 1.00 0.00 H new ATOM 0 HG SER A 30 -7.992 8.987 -7.607 1.00 0.00 H new ATOM 345 N GLN A 31 -7.473 6.120 -8.137 1.00 0.00 N ATOM 346 CA GLN A 31 -6.547 5.265 -8.874 1.00 0.00 C ATOM 347 C GLN A 31 -5.123 5.809 -8.801 1.00 0.00 C ATOM 348 O GLN A 31 -4.842 6.745 -8.053 1.00 0.00 O ATOM 349 CB GLN A 31 -6.978 5.137 -10.344 1.00 0.00 C ATOM 350 CG GLN A 31 -8.355 5.712 -10.642 1.00 0.00 C ATOM 351 CD GLN A 31 -9.480 4.854 -10.095 1.00 0.00 C ATOM 352 OE1 GLN A 31 -9.503 3.640 -10.296 1.00 0.00 O ATOM 353 NE2 GLN A 31 -10.422 5.483 -9.402 1.00 0.00 N ATOM 0 H GLN A 31 -7.316 7.120 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.568 4.279 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.243 5.640 -10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.968 4.084 -10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.426 6.712 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.475 5.816 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.363 6.491 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.205 4.958 -9.012 1.00 0.00 H new ATOM 362 N HIS A 32 -4.231 5.215 -9.587 1.00 0.00 N ATOM 363 CA HIS A 32 -2.834 5.634 -9.621 1.00 0.00 C ATOM 364 C HIS A 32 -2.206 5.599 -8.229 1.00 0.00 C ATOM 365 O HIS A 32 -1.221 6.288 -7.967 1.00 0.00 O ATOM 366 CB HIS A 32 -2.718 7.038 -10.218 1.00 0.00 C ATOM 367 CG HIS A 32 -2.098 7.058 -11.581 1.00 0.00 C ATOM 368 ND1 HIS A 32 -1.037 6.252 -11.938 1.00 0.00 N ATOM 369 CD2 HIS A 32 -2.399 7.790 -12.680 1.00 0.00 C ATOM 370 CE1 HIS A 32 -0.710 6.489 -13.196 1.00 0.00 C ATOM 371 NE2 HIS A 32 -1.521 7.418 -13.670 1.00 0.00 N ATOM 0 H HIS A 32 -4.452 4.439 -10.211 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.289 4.931 -10.251 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.711 7.484 -10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.125 7.661 -9.549 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -0.577 5.578 -11.326 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -3.183 8.528 -12.763 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.085 6.005 -13.744 1.00 0.00 H new ATOM 380 N CYS A 33 -2.776 4.788 -7.342 1.00 0.00 N ATOM 381 CA CYS A 33 -2.262 4.663 -5.983 1.00 0.00 C ATOM 382 C CYS A 33 -1.331 3.459 -5.876 1.00 0.00 C ATOM 383 O CYS A 33 -1.458 2.634 -4.972 1.00 0.00 O ATOM 384 CB CYS A 33 -3.418 4.529 -4.987 1.00 0.00 C ATOM 385 SG CYS A 33 -3.926 6.105 -4.228 1.00 0.00 S ATOM 0 H CYS A 33 -3.592 4.209 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.696 5.563 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.275 4.090 -5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.127 3.835 -4.199 1.00 0.00 H new ATOM 390 N VAL A 34 -0.396 3.364 -6.818 1.00 0.00 N ATOM 391 CA VAL A 34 0.559 2.262 -6.850 1.00 0.00 C ATOM 392 C VAL A 34 1.579 2.357 -5.716 1.00 0.00 C ATOM 393 O VAL A 34 2.380 1.443 -5.518 1.00 0.00 O ATOM 394 CB VAL A 34 1.306 2.214 -8.198 1.00 0.00 C ATOM 395 CG1 VAL A 34 2.095 3.495 -8.421 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.218 0.998 -8.266 1.00 0.00 C ATOM 0 H VAL A 34 -0.280 4.041 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.019 1.347 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 34 0.567 2.127 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.615 3.440 -9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.414 4.346 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.823 3.618 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.735 0.984 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.950 1.047 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.623 0.091 -8.161 1.00 0.00 H new ATOM 406 N LYS A 35 1.554 3.461 -4.974 1.00 0.00 N ATOM 407 CA LYS A 35 2.486 3.653 -3.872 1.00 0.00 C ATOM 408 C LYS A 35 1.744 3.850 -2.551 1.00 0.00 C ATOM 409 O LYS A 35 2.063 4.751 -1.774 1.00 0.00 O ATOM 410 CB LYS A 35 3.388 4.860 -4.149 1.00 0.00 C ATOM 411 CG LYS A 35 4.564 4.977 -3.195 1.00 0.00 C ATOM 412 CD LYS A 35 5.584 3.877 -3.434 1.00 0.00 C ATOM 413 CE LYS A 35 6.483 4.196 -4.618 1.00 0.00 C ATOM 414 NZ LYS A 35 5.999 3.556 -5.873 1.00 0.00 N ATOM 0 H LYS A 35 0.901 4.232 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 35 3.100 2.756 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.765 4.794 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.791 5.770 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.040 5.950 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.206 4.926 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.193 3.744 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.068 2.934 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.531 5.276 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.497 3.857 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.661 2.806 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.058 3.144 -5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.940 4.270 -6.627 1.00 0.00 H new ATOM 428 N ALA A 36 0.754 3.002 -2.301 1.00 0.00 N ATOM 429 CA ALA A 36 -0.028 3.084 -1.072 1.00 0.00 C ATOM 430 C ALA A 36 -0.134 1.721 -0.396 1.00 0.00 C ATOM 431 O ALA A 36 -0.480 0.729 -1.035 1.00 0.00 O ATOM 432 CB ALA A 36 -1.413 3.643 -1.362 1.00 0.00 C ATOM 0 H ALA A 36 0.473 2.251 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 36 0.487 3.759 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.984 3.698 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.320 4.641 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.928 2.991 -2.068 1.00 0.00 H new ATOM 438 N ASN A 37 0.166 1.680 0.898 1.00 0.00 N ATOM 439 CA ASN A 37 0.104 0.436 1.658 1.00 0.00 C ATOM 440 C ASN A 37 -1.315 -0.126 1.664 1.00 0.00 C ATOM 441 O ASN A 37 -1.511 -1.342 1.670 1.00 0.00 O ATOM 442 CB ASN A 37 0.581 0.664 3.093 1.00 0.00 C ATOM 443 CG ASN A 37 -0.074 1.870 3.737 1.00 0.00 C ATOM 444 OD1 ASN A 37 0.553 2.915 3.905 1.00 0.00 O ATOM 445 ND2 ASN A 37 -1.342 1.728 4.103 1.00 0.00 N ATOM 0 H ASN A 37 0.454 2.493 1.442 1.00 0.00 H new ATOM 0 HA ASN A 37 0.761 -0.288 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.367 -0.223 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.663 0.797 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.836 2.504 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.823 0.842 3.944 1.00 0.00 H new ATOM 452 N THR A 38 -2.299 0.766 1.657 1.00 0.00 N ATOM 453 CA THR A 38 -3.699 0.361 1.656 1.00 0.00 C ATOM 454 C THR A 38 -4.515 1.254 0.727 1.00 0.00 C ATOM 455 O THR A 38 -4.390 2.478 0.762 1.00 0.00 O ATOM 456 CB THR A 38 -4.272 0.420 3.074 1.00 0.00 C ATOM 457 OG1 THR A 38 -3.298 0.025 4.023 1.00 0.00 O ATOM 458 CG2 THR A 38 -5.486 -0.463 3.266 1.00 0.00 C ATOM 0 H THR A 38 -2.152 1.775 1.652 1.00 0.00 H new ATOM 0 HA THR A 38 -3.757 -0.665 1.294 1.00 0.00 H new ATOM 0 HB THR A 38 -4.571 1.457 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.682 0.070 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.842 -0.374 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.274 -0.152 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.217 -1.500 3.064 1.00 0.00 H new ATOM 466 N CYS A 39 -5.344 0.636 -0.107 1.00 0.00 N ATOM 467 CA CYS A 39 -6.172 1.383 -1.048 1.00 0.00 C ATOM 468 C CYS A 39 -7.519 0.699 -1.265 1.00 0.00 C ATOM 469 O CYS A 39 -7.623 -0.256 -2.033 1.00 0.00 O ATOM 470 CB CYS A 39 -5.444 1.535 -2.384 1.00 0.00 C ATOM 471 SG CYS A 39 -4.830 -0.035 -3.076 1.00 0.00 S ATOM 0 H CYS A 39 -5.461 -0.376 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.357 2.370 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.119 1.998 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.603 2.216 -2.252 1.00 0.00 H new ATOM 476 N THR A 40 -8.551 1.201 -0.594 1.00 0.00 N ATOM 477 CA THR A 40 -9.891 0.641 -0.728 1.00 0.00 C ATOM 478 C THR A 40 -10.631 1.314 -1.878 1.00 0.00 C ATOM 479 O THR A 40 -10.529 2.526 -2.064 1.00 0.00 O ATOM 480 CB THR A 40 -10.675 0.809 0.577 1.00 0.00 C ATOM 481 OG1 THR A 40 -11.865 0.041 0.548 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.063 2.243 0.865 1.00 0.00 C ATOM 0 H THR A 40 -8.485 1.992 0.046 1.00 0.00 H new ATOM 0 HA THR A 40 -9.801 -0.424 -0.944 1.00 0.00 H new ATOM 0 HB THR A 40 -10.001 0.468 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.351 0.160 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.615 2.289 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.164 2.855 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.689 2.620 0.057 1.00 0.00 H new ATOM 490 N GLY A 41 -11.362 0.525 -2.658 1.00 0.00 N ATOM 491 CA GLY A 41 -12.090 1.075 -3.788 1.00 0.00 C ATOM 492 C GLY A 41 -11.182 1.838 -4.718 1.00 0.00 C ATOM 493 O GLY A 41 -11.532 2.918 -5.190 1.00 0.00 O ATOM 0 H GLY A 41 -11.464 -0.482 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.576 0.268 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.878 1.735 -3.427 1.00 0.00 H new ATOM 497 N SER A 42 -10.017 1.277 -4.989 1.00 0.00 N ATOM 498 CA SER A 42 -9.067 1.919 -5.867 1.00 0.00 C ATOM 499 C SER A 42 -8.429 0.866 -6.743 1.00 0.00 C ATOM 500 O SER A 42 -8.877 -0.269 -6.752 1.00 0.00 O ATOM 501 CB SER A 42 -7.989 2.646 -5.059 1.00 0.00 C ATOM 502 OG SER A 42 -8.536 3.249 -3.900 1.00 0.00 O ATOM 0 H SER A 42 -9.710 0.380 -4.612 1.00 0.00 H new ATOM 0 HA SER A 42 -9.585 2.656 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.209 1.941 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.517 3.407 -5.680 1.00 0.00 H new ATOM 0 HG SER A 42 -7.826 3.705 -3.402 1.00 0.00 H new ATOM 508 N THR A 43 -7.383 1.221 -7.465 1.00 0.00 N ATOM 509 CA THR A 43 -6.716 0.247 -8.313 1.00 0.00 C ATOM 510 C THR A 43 -5.196 0.449 -8.267 1.00 0.00 C ATOM 511 O THR A 43 -4.657 0.750 -7.204 1.00 0.00 O ATOM 512 CB THR A 43 -7.290 0.309 -9.738 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.403 0.956 -10.633 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.624 1.028 -9.821 1.00 0.00 C ATOM 0 H THR A 43 -6.981 2.158 -7.484 1.00 0.00 H new ATOM 0 HA THR A 43 -6.905 -0.759 -7.939 1.00 0.00 H new ATOM 0 HB THR A 43 -7.431 -0.734 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.799 0.976 -11.529 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.970 1.034 -10.855 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.354 0.513 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.507 2.054 -9.471 1.00 0.00 H new ATOM 522 N ASP A 44 -4.511 0.289 -9.407 1.00 0.00 N ATOM 523 CA ASP A 44 -3.051 0.456 -9.481 1.00 0.00 C ATOM 524 C ASP A 44 -2.403 0.452 -8.093 1.00 0.00 C ATOM 525 O ASP A 44 -2.017 1.500 -7.577 1.00 0.00 O ATOM 526 CB ASP A 44 -2.706 1.756 -10.213 1.00 0.00 C ATOM 527 CG ASP A 44 -1.593 1.571 -11.224 1.00 0.00 C ATOM 528 OD1 ASP A 44 -1.706 0.661 -12.073 1.00 0.00 O ATOM 529 OD2 ASP A 44 -0.606 2.335 -11.167 1.00 0.00 O ATOM 0 H ASP A 44 -4.946 0.043 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.652 -0.394 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.595 2.131 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.411 2.512 -9.486 1.00 0.00 H new ATOM 534 N CYS A 45 -2.304 -0.728 -7.488 1.00 0.00 N ATOM 535 CA CYS A 45 -1.724 -0.862 -6.156 1.00 0.00 C ATOM 536 C CYS A 45 -0.771 -2.048 -6.087 1.00 0.00 C ATOM 537 O CYS A 45 -1.192 -3.183 -5.868 1.00 0.00 O ATOM 538 CB CYS A 45 -2.838 -1.035 -5.129 1.00 0.00 C ATOM 539 SG CYS A 45 -3.538 0.537 -4.529 1.00 0.00 S ATOM 0 H CYS A 45 -2.619 -1.606 -7.900 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.156 0.042 -5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.636 -1.632 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.451 -1.597 -4.279 1.00 0.00 H new ATOM 544 N ASN A 46 0.517 -1.779 -6.272 1.00 0.00 N ATOM 545 CA ASN A 46 1.524 -2.831 -6.231 1.00 0.00 C ATOM 546 C ASN A 46 2.219 -2.877 -4.870 1.00 0.00 C ATOM 547 O ASN A 46 2.669 -3.938 -4.435 1.00 0.00 O ATOM 548 CB ASN A 46 2.549 -2.624 -7.350 1.00 0.00 C ATOM 549 CG ASN A 46 3.647 -3.670 -7.331 1.00 0.00 C ATOM 550 OD1 ASN A 46 3.413 -4.838 -7.638 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.855 -3.252 -6.970 1.00 0.00 N ATOM 0 H ASN A 46 0.886 -0.845 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 46 1.024 -3.787 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.041 -2.652 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.993 -1.633 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.634 -3.910 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.003 -2.273 -6.723 1.00 0.00 H new ATOM 558 N THR A 47 2.306 -1.731 -4.197 1.00 0.00 N ATOM 559 CA THR A 47 2.949 -1.669 -2.889 1.00 0.00 C ATOM 560 C THR A 47 1.960 -1.995 -1.770 1.00 0.00 C ATOM 561 O THR A 47 2.350 -2.474 -0.705 1.00 0.00 O ATOM 562 CB THR A 47 3.559 -0.284 -2.660 1.00 0.00 C ATOM 563 OG1 THR A 47 4.418 -0.294 -1.534 1.00 0.00 O ATOM 564 CG2 THR A 47 2.526 0.801 -2.439 1.00 0.00 C ATOM 0 H THR A 47 1.942 -0.840 -4.534 1.00 0.00 H new ATOM 0 HA THR A 47 3.742 -2.416 -2.872 1.00 0.00 H new ATOM 0 HB THR A 47 4.107 -0.058 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.799 0.600 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.029 1.756 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.878 0.870 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.927 0.559 -1.561 1.00 0.00 H new ATOM 572 N ALA A 48 0.681 -1.723 -2.014 1.00 0.00 N ATOM 573 CA ALA A 48 -0.362 -1.978 -1.023 1.00 0.00 C ATOM 574 C ALA A 48 -0.339 -3.424 -0.537 1.00 0.00 C ATOM 575 O ALA A 48 -0.067 -4.344 -1.308 1.00 0.00 O ATOM 576 CB ALA A 48 -1.728 -1.637 -1.599 1.00 0.00 C ATOM 0 H ALA A 48 0.341 -1.326 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.165 -1.338 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.497 -1.831 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.752 -0.584 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.915 -2.251 -2.480 1.00 0.00 H new ATOM 582 N GLN A 49 -0.636 -3.616 0.747 1.00 0.00 N ATOM 583 CA GLN A 49 -0.657 -4.952 1.337 1.00 0.00 C ATOM 584 C GLN A 49 -2.068 -5.547 1.312 1.00 0.00 C ATOM 585 O GLN A 49 -2.279 -6.676 1.751 1.00 0.00 O ATOM 586 CB GLN A 49 -0.135 -4.904 2.775 1.00 0.00 C ATOM 587 CG GLN A 49 0.845 -6.018 3.104 1.00 0.00 C ATOM 588 CD GLN A 49 2.289 -5.608 2.892 1.00 0.00 C ATOM 589 OE1 GLN A 49 2.562 -4.963 1.764 1.00 0.00 O flip ATOM 590 NE2 GLN A 49 3.151 -5.865 3.733 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.865 -2.864 1.397 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.007 -5.592 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.350 -3.943 2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.980 -4.960 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.707 -6.323 4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.623 -6.886 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.898 -6.363 4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.118 -5.580 3.576 1.00 0.00 H new ATOM 599 N THR A 50 -3.024 -4.782 0.790 1.00 0.00 N ATOM 600 CA THR A 50 -4.409 -5.222 0.694 1.00 0.00 C ATOM 601 C THR A 50 -5.259 -4.119 0.067 1.00 0.00 C ATOM 602 O THR A 50 -4.876 -2.950 0.088 1.00 0.00 O ATOM 603 CB THR A 50 -4.948 -5.589 2.076 1.00 0.00 C ATOM 604 OG1 THR A 50 -5.995 -6.537 1.974 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.477 -4.400 2.838 1.00 0.00 C ATOM 0 H THR A 50 -2.859 -3.844 0.424 1.00 0.00 H new ATOM 0 HA THR A 50 -4.456 -6.108 0.061 1.00 0.00 H new ATOM 0 HB THR A 50 -4.098 -6.003 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.679 -7.408 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.845 -4.726 3.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.678 -3.672 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.291 -3.941 2.277 1.00 0.00 H new ATOM 613 N CYS A 51 -6.410 -4.485 -0.489 1.00 0.00 N ATOM 614 CA CYS A 51 -7.286 -3.497 -1.114 1.00 0.00 C ATOM 615 C CYS A 51 -8.571 -4.123 -1.646 1.00 0.00 C ATOM 616 O CYS A 51 -8.547 -5.170 -2.294 1.00 0.00 O ATOM 617 CB CYS A 51 -6.555 -2.764 -2.247 1.00 0.00 C ATOM 618 SG CYS A 51 -5.215 -3.722 -3.038 1.00 0.00 S ATOM 0 H CYS A 51 -6.755 -5.444 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.560 -2.781 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.282 -2.485 -3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.137 -1.838 -1.852 1.00 0.00 H new ATOM 623 N THR A 52 -9.690 -3.457 -1.378 1.00 0.00 N ATOM 624 CA THR A 52 -10.995 -3.917 -1.833 1.00 0.00 C ATOM 625 C THR A 52 -11.138 -3.675 -3.340 1.00 0.00 C ATOM 626 O THR A 52 -10.142 -3.709 -4.062 1.00 0.00 O ATOM 627 CB THR A 52 -12.095 -3.191 -1.047 1.00 0.00 C ATOM 628 OG1 THR A 52 -11.531 -2.341 -0.062 1.00 0.00 O ATOM 629 CG2 THR A 52 -13.041 -4.134 -0.343 1.00 0.00 C ATOM 0 H THR A 52 -9.717 -2.589 -0.843 1.00 0.00 H new ATOM 0 HA THR A 52 -11.092 -4.988 -1.654 1.00 0.00 H new ATOM 0 HB THR A 52 -12.653 -2.621 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.748 -1.409 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.795 -3.559 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.529 -4.775 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.483 -4.750 0.363 1.00 0.00 H new ATOM 637 N ASN A 53 -12.369 -3.431 -3.814 1.00 0.00 N ATOM 638 CA ASN A 53 -12.627 -3.183 -5.238 1.00 0.00 C ATOM 639 C ASN A 53 -11.440 -2.494 -5.912 1.00 0.00 C ATOM 640 O ASN A 53 -11.295 -1.272 -5.853 1.00 0.00 O ATOM 641 CB ASN A 53 -13.885 -2.328 -5.406 1.00 0.00 C ATOM 642 CG ASN A 53 -15.156 -3.149 -5.311 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.450 -3.743 -4.274 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.919 -3.185 -6.397 1.00 0.00 N ATOM 0 H ASN A 53 -13.204 -3.400 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.776 -4.149 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.899 -1.552 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.852 -1.824 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.787 -3.720 -6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.637 -2.677 -7.236 1.00 0.00 H new ATOM 651 N SER A 54 -10.588 -3.299 -6.537 1.00 0.00 N ATOM 652 CA SER A 54 -9.397 -2.801 -7.214 1.00 0.00 C ATOM 653 C SER A 54 -9.114 -3.637 -8.462 1.00 0.00 C ATOM 654 O SER A 54 -9.891 -4.527 -8.805 1.00 0.00 O ATOM 655 CB SER A 54 -8.208 -2.862 -6.248 1.00 0.00 C ATOM 656 OG SER A 54 -6.990 -3.096 -6.931 1.00 0.00 O ATOM 0 H SER A 54 -10.703 -4.311 -6.588 1.00 0.00 H new ATOM 0 HA SER A 54 -9.557 -1.768 -7.523 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.141 -1.926 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.373 -3.653 -5.517 1.00 0.00 H new ATOM 0 HG SER A 54 -6.300 -3.360 -6.287 1.00 0.00 H new ATOM 662 N LYS A 55 -7.998 -3.363 -9.133 1.00 0.00 N ATOM 663 CA LYS A 55 -7.629 -4.118 -10.326 1.00 0.00 C ATOM 664 C LYS A 55 -6.110 -4.230 -10.469 1.00 0.00 C ATOM 665 O LYS A 55 -5.605 -4.530 -11.550 1.00 0.00 O ATOM 666 CB LYS A 55 -8.217 -3.454 -11.574 1.00 0.00 C ATOM 667 CG LYS A 55 -9.597 -3.972 -11.946 1.00 0.00 C ATOM 668 CD LYS A 55 -9.833 -3.906 -13.448 1.00 0.00 C ATOM 669 CE LYS A 55 -8.832 -4.759 -14.212 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.505 -5.711 -15.137 1.00 0.00 N ATOM 0 H LYS A 55 -7.338 -2.630 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.037 -5.123 -10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.274 -2.378 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.540 -3.613 -12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.704 -5.002 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.358 -3.385 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.845 -4.243 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.760 -2.871 -13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.163 -4.112 -14.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.215 -5.314 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.064 -6.649 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.514 -5.778 -14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.408 -5.372 -16.115 1.00 0.00 H new ATOM 684 N ASP A 56 -5.386 -4.002 -9.375 1.00 0.00 N ATOM 685 CA ASP A 56 -3.929 -4.097 -9.396 1.00 0.00 C ATOM 686 C ASP A 56 -3.367 -4.536 -8.042 1.00 0.00 C ATOM 687 O ASP A 56 -2.188 -4.326 -7.760 1.00 0.00 O ATOM 688 CB ASP A 56 -3.316 -2.762 -9.817 1.00 0.00 C ATOM 689 CG ASP A 56 -3.293 -2.589 -11.323 1.00 0.00 C ATOM 690 OD1 ASP A 56 -4.318 -2.152 -11.887 1.00 0.00 O ATOM 691 OD2 ASP A 56 -2.248 -2.890 -11.940 1.00 0.00 O ATOM 0 H ASP A 56 -5.782 -3.752 -8.469 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.660 -4.860 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.883 -1.947 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.299 -2.693 -9.430 1.00 0.00 H new ATOM 696 N CYS A 57 -4.210 -5.142 -7.209 1.00 0.00 N ATOM 697 CA CYS A 57 -3.785 -5.604 -5.888 1.00 0.00 C ATOM 698 C CYS A 57 -2.832 -6.797 -6.000 1.00 0.00 C ATOM 699 O CYS A 57 -3.150 -7.901 -5.560 1.00 0.00 O ATOM 700 CB CYS A 57 -5.004 -5.995 -5.047 1.00 0.00 C ATOM 701 SG CYS A 57 -6.107 -4.604 -4.630 1.00 0.00 S ATOM 0 H CYS A 57 -5.190 -5.325 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.256 -4.785 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.577 -6.748 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.659 -6.459 -4.123 1.00 0.00 H new ATOM 706 N PHE A 58 -1.666 -6.572 -6.595 1.00 0.00 N ATOM 707 CA PHE A 58 -0.679 -7.635 -6.769 1.00 0.00 C ATOM 708 C PHE A 58 -0.083 -8.082 -5.439 1.00 0.00 C ATOM 709 O PHE A 58 -0.156 -9.258 -5.083 1.00 0.00 O ATOM 710 CB PHE A 58 0.438 -7.177 -7.700 1.00 0.00 C ATOM 711 CG PHE A 58 -0.044 -6.543 -8.940 1.00 0.00 C ATOM 712 CD1 PHE A 58 -0.900 -7.221 -9.779 1.00 0.00 C ATOM 713 CD2 PHE A 58 0.380 -5.276 -9.281 1.00 0.00 C ATOM 714 CE1 PHE A 58 -1.329 -6.648 -10.943 1.00 0.00 C ATOM 715 CE2 PHE A 58 -0.048 -4.692 -10.441 1.00 0.00 C ATOM 716 CZ PHE A 58 -0.900 -5.379 -11.272 1.00 0.00 C ATOM 0 H PHE A 58 -1.380 -5.665 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.198 -8.486 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.076 -6.472 -7.167 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.058 -8.036 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.235 -8.213 -9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.054 -4.742 -8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.998 -7.184 -11.600 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.281 -3.697 -10.702 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.237 -4.921 -12.191 1.00 0.00 H new ATOM 726 N GLU A 59 0.521 -7.146 -4.716 1.00 0.00 N ATOM 727 CA GLU A 59 1.143 -7.455 -3.434 1.00 0.00 C ATOM 728 C GLU A 59 0.177 -7.209 -2.283 1.00 0.00 C ATOM 729 O GLU A 59 0.567 -6.719 -1.223 1.00 0.00 O ATOM 730 CB GLU A 59 2.410 -6.619 -3.242 1.00 0.00 C ATOM 731 CG GLU A 59 3.295 -7.103 -2.104 1.00 0.00 C ATOM 732 CD GLU A 59 3.619 -8.581 -2.206 1.00 0.00 C ATOM 733 OE1 GLU A 59 2.747 -9.406 -1.861 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.745 -8.914 -2.630 1.00 0.00 O ATOM 0 H GLU A 59 0.593 -6.168 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 59 1.411 -8.512 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.985 -6.630 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.126 -5.583 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.223 -6.531 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.798 -6.908 -1.154 1.00 0.00 H new ATOM 741 N ALA A 60 -1.088 -7.553 -2.498 1.00 0.00 N ATOM 742 CA ALA A 60 -2.110 -7.370 -1.480 1.00 0.00 C ATOM 743 C ALA A 60 -2.563 -8.710 -0.911 1.00 0.00 C ATOM 744 O ALA A 60 -2.992 -9.598 -1.649 1.00 0.00 O ATOM 745 CB ALA A 60 -3.290 -6.604 -2.056 1.00 0.00 C ATOM 0 H ALA A 60 -1.428 -7.960 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.681 -6.790 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.050 -6.472 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.954 -5.627 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.713 -7.162 -2.891 1.00 0.00 H new ATOM 751 N ASN A 61 -2.460 -8.850 0.406 1.00 0.00 N ATOM 752 CA ASN A 61 -2.853 -10.083 1.077 1.00 0.00 C ATOM 753 C ASN A 61 -4.327 -10.395 0.845 1.00 0.00 C ATOM 754 O ASN A 61 -4.721 -11.559 0.800 1.00 0.00 O ATOM 755 CB ASN A 61 -2.571 -9.986 2.578 1.00 0.00 C ATOM 756 CG ASN A 61 -3.223 -8.773 3.215 1.00 0.00 C ATOM 757 OD1 ASN A 61 -4.414 -8.527 3.035 1.00 0.00 O ATOM 758 ND2 ASN A 61 -2.439 -8.008 3.966 1.00 0.00 N ATOM 0 H ASN A 61 -2.107 -8.124 1.030 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.262 -10.895 0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.931 -10.889 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.494 -9.942 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.820 -7.178 4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.456 -8.250 4.088 1.00 0.00 H new ATOM 765 N THR A 62 -5.144 -9.353 0.703 1.00 0.00 N ATOM 766 CA THR A 62 -6.572 -9.544 0.484 1.00 0.00 C ATOM 767 C THR A 62 -7.090 -8.668 -0.652 1.00 0.00 C ATOM 768 O THR A 62 -7.325 -7.473 -0.471 1.00 0.00 O ATOM 769 CB THR A 62 -7.350 -9.243 1.765 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.618 -9.652 2.906 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.702 -9.922 1.819 1.00 0.00 C ATOM 0 H THR A 62 -4.844 -8.379 0.735 1.00 0.00 H new ATOM 0 HA THR A 62 -6.724 -10.586 0.203 1.00 0.00 H new ATOM 0 HB THR A 62 -7.503 -8.164 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.848 -9.059 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.201 -9.666 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.311 -9.587 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.569 -11.002 1.763 1.00 0.00 H new ATOM 779 N CYS A 63 -7.283 -9.275 -1.819 1.00 0.00 N ATOM 780 CA CYS A 63 -7.795 -8.556 -2.980 1.00 0.00 C ATOM 781 C CYS A 63 -9.017 -9.271 -3.550 1.00 0.00 C ATOM 782 O CYS A 63 -8.938 -9.951 -4.572 1.00 0.00 O ATOM 783 CB CYS A 63 -6.706 -8.400 -4.052 1.00 0.00 C ATOM 784 SG CYS A 63 -6.101 -9.967 -4.764 1.00 0.00 S ATOM 0 H CYS A 63 -7.092 -10.263 -1.985 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.096 -7.558 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.096 -7.778 -4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.862 -7.865 -3.617 1.00 0.00 H new ATOM 789 N THR A 64 -10.152 -9.110 -2.873 1.00 0.00 N ATOM 790 CA THR A 64 -11.395 -9.741 -3.300 1.00 0.00 C ATOM 791 C THR A 64 -12.217 -8.785 -4.154 1.00 0.00 C ATOM 792 O THR A 64 -11.956 -7.582 -4.182 1.00 0.00 O ATOM 793 CB THR A 64 -12.209 -10.188 -2.085 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.931 -9.366 -0.966 1.00 0.00 O ATOM 795 CG2 THR A 64 -11.940 -11.621 -1.679 1.00 0.00 C ATOM 0 H THR A 64 -10.235 -8.547 -2.026 1.00 0.00 H new ATOM 0 HA THR A 64 -11.145 -10.616 -3.900 1.00 0.00 H new ATOM 0 HB THR A 64 -13.252 -10.103 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.462 -9.666 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.549 -11.874 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.191 -12.286 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.886 -11.736 -1.428 1.00 0.00 H new ATOM 803 N ASP A 65 -13.205 -9.326 -4.861 1.00 0.00 N ATOM 804 CA ASP A 65 -14.053 -8.515 -5.727 1.00 0.00 C ATOM 805 C ASP A 65 -13.203 -7.709 -6.704 1.00 0.00 C ATOM 806 O ASP A 65 -13.615 -6.651 -7.180 1.00 0.00 O ATOM 807 CB ASP A 65 -14.921 -7.574 -4.889 1.00 0.00 C ATOM 808 CG ASP A 65 -15.610 -8.291 -3.744 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.226 -9.348 -3.991 1.00 0.00 O ATOM 810 OD2 ASP A 65 -15.535 -7.792 -2.602 1.00 0.00 O ATOM 0 H ASP A 65 -13.437 -10.319 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.702 -9.182 -6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.301 -6.770 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.672 -7.110 -5.529 1.00 0.00 H new ATOM 815 N SER A 66 -12.008 -8.218 -6.991 1.00 0.00 N ATOM 816 CA SER A 66 -11.087 -7.552 -7.902 1.00 0.00 C ATOM 817 C SER A 66 -10.462 -8.552 -8.867 1.00 0.00 C ATOM 818 O SER A 66 -10.770 -9.740 -8.830 1.00 0.00 O ATOM 819 CB SER A 66 -9.988 -6.843 -7.110 1.00 0.00 C ATOM 820 OG SER A 66 -10.534 -5.855 -6.254 1.00 0.00 O ATOM 0 H SER A 66 -11.655 -9.093 -6.603 1.00 0.00 H new ATOM 0 HA SER A 66 -11.649 -6.817 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.432 -7.572 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.279 -6.382 -7.798 1.00 0.00 H new ATOM 0 HG SER A 66 -11.030 -6.289 -5.528 1.00 0.00 H new ATOM 826 N THR A 67 -9.588 -8.060 -9.733 1.00 0.00 N ATOM 827 CA THR A 67 -8.922 -8.904 -10.710 1.00 0.00 C ATOM 828 C THR A 67 -7.448 -8.552 -10.814 1.00 0.00 C ATOM 829 O THR A 67 -7.053 -7.415 -10.550 1.00 0.00 O ATOM 830 CB THR A 67 -9.603 -8.756 -12.064 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.760 -9.202 -13.112 1.00 0.00 O ATOM 832 CG2 THR A 67 -10.012 -7.339 -12.372 1.00 0.00 C ATOM 0 H THR A 67 -9.324 -7.076 -9.778 1.00 0.00 H new ATOM 0 HA THR A 67 -8.996 -9.942 -10.385 1.00 0.00 H new ATOM 0 HB THR A 67 -10.500 -9.371 -12.000 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.222 -9.098 -13.970 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.491 -7.303 -13.350 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.711 -6.989 -11.613 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.130 -6.698 -12.376 1.00 0.00 H new ATOM 840 N ASN A 68 -6.635 -9.536 -11.183 1.00 0.00 N ATOM 841 CA ASN A 68 -5.192 -9.329 -11.305 1.00 0.00 C ATOM 842 C ASN A 68 -4.543 -9.343 -9.927 1.00 0.00 C ATOM 843 O ASN A 68 -4.484 -8.325 -9.238 1.00 0.00 O ATOM 844 CB ASN A 68 -4.883 -8.012 -12.025 1.00 0.00 C ATOM 845 CG ASN A 68 -3.878 -8.189 -13.146 1.00 0.00 C ATOM 846 OD1 ASN A 68 -3.304 -9.264 -13.317 1.00 0.00 O ATOM 847 ND2 ASN A 68 -3.660 -7.130 -13.918 1.00 0.00 N ATOM 0 H ASN A 68 -6.947 -10.482 -11.403 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.780 -10.144 -11.901 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.806 -7.597 -12.430 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.498 -7.289 -11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.994 -7.189 -14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.158 -6.258 -13.740 1.00 0.00 H new ATOM 854 N CYS A 69 -4.076 -10.518 -9.534 1.00 0.00 N ATOM 855 CA CYS A 69 -3.443 -10.718 -8.238 1.00 0.00 C ATOM 856 C CYS A 69 -2.528 -11.938 -8.285 1.00 0.00 C ATOM 857 O CYS A 69 -2.889 -12.965 -8.859 1.00 0.00 O ATOM 858 CB CYS A 69 -4.509 -10.937 -7.160 1.00 0.00 C ATOM 859 SG CYS A 69 -5.326 -9.420 -6.563 1.00 0.00 S ATOM 0 H CYS A 69 -4.125 -11.362 -10.105 1.00 0.00 H new ATOM 0 HA CYS A 69 -2.858 -9.830 -7.999 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.270 -11.610 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.047 -11.441 -6.311 1.00 0.00 H new ATOM 864 N TYR A 70 -1.354 -11.837 -7.673 1.00 0.00 N ATOM 865 CA TYR A 70 -0.422 -12.960 -7.652 1.00 0.00 C ATOM 866 C TYR A 70 0.356 -13.018 -6.339 1.00 0.00 C ATOM 867 O TYR A 70 1.450 -13.578 -6.281 1.00 0.00 O ATOM 868 CB TYR A 70 0.547 -12.904 -8.840 1.00 0.00 C ATOM 869 CG TYR A 70 0.836 -11.514 -9.371 1.00 0.00 C ATOM 870 CD1 TYR A 70 0.009 -10.916 -10.317 1.00 0.00 C ATOM 871 CD2 TYR A 70 1.958 -10.810 -8.945 1.00 0.00 C ATOM 872 CE1 TYR A 70 0.292 -9.664 -10.820 1.00 0.00 C ATOM 873 CE2 TYR A 70 2.243 -9.553 -9.442 1.00 0.00 C ATOM 874 CZ TYR A 70 1.409 -8.985 -10.379 1.00 0.00 C ATOM 875 OH TYR A 70 1.692 -7.736 -10.880 1.00 0.00 O ATOM 0 H TYR A 70 -1.027 -11.000 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.017 -13.869 -7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.489 -13.365 -8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.139 -13.508 -9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.869 -11.441 -10.663 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.617 -11.254 -8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.359 -9.216 -11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.116 -9.018 -9.097 1.00 0.00 H new ATOM 0 HH TYR A 70 0.912 -7.154 -10.767 1.00 0.00 H new ATOM 885 N LYS A 71 -0.222 -12.447 -5.285 1.00 0.00 N ATOM 886 CA LYS A 71 0.409 -12.445 -3.967 1.00 0.00 C ATOM 887 C LYS A 71 -0.636 -12.238 -2.875 1.00 0.00 C ATOM 888 O LYS A 71 -0.360 -11.623 -1.845 1.00 0.00 O ATOM 889 CB LYS A 71 1.481 -11.352 -3.871 1.00 0.00 C ATOM 890 CG LYS A 71 2.294 -11.168 -5.144 1.00 0.00 C ATOM 891 CD LYS A 71 3.307 -10.044 -5.004 1.00 0.00 C ATOM 892 CE LYS A 71 4.052 -9.806 -6.307 1.00 0.00 C ATOM 893 NZ LYS A 71 5.407 -9.232 -6.075 1.00 0.00 N ATOM 0 H LYS A 71 -1.128 -11.979 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 71 0.887 -13.414 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.000 -10.407 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.158 -11.593 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.811 -12.097 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.624 -10.953 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.798 -9.129 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.018 -10.289 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.144 -10.747 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.474 -9.130 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.883 -9.085 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.318 -8.322 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.967 -9.888 -5.495 1.00 0.00 H new ATOM 907 N ALA A 72 -1.841 -12.750 -3.112 1.00 0.00 N ATOM 908 CA ALA A 72 -2.932 -12.617 -2.153 1.00 0.00 C ATOM 909 C ALA A 72 -3.123 -13.897 -1.346 1.00 0.00 C ATOM 910 O ALA A 72 -2.831 -14.994 -1.823 1.00 0.00 O ATOM 911 CB ALA A 72 -4.222 -12.249 -2.873 1.00 0.00 C ATOM 0 H ALA A 72 -2.086 -13.261 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.672 -11.820 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.029 -12.153 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.089 -11.302 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.472 -13.029 -3.592 1.00 0.00 H new ATOM 917 N THR A 73 -3.617 -13.749 -0.121 1.00 0.00 N ATOM 918 CA THR A 73 -3.854 -14.892 0.753 1.00 0.00 C ATOM 919 C THR A 73 -5.328 -14.992 1.141 1.00 0.00 C ATOM 920 O THR A 73 -5.679 -15.668 2.108 1.00 0.00 O ATOM 921 CB THR A 73 -2.990 -14.785 2.011 1.00 0.00 C ATOM 922 OG1 THR A 73 -3.146 -15.934 2.826 1.00 0.00 O ATOM 923 CG2 THR A 73 -3.313 -13.573 2.859 1.00 0.00 C ATOM 0 H THR A 73 -3.861 -12.848 0.289 1.00 0.00 H new ATOM 0 HA THR A 73 -3.582 -15.795 0.207 1.00 0.00 H new ATOM 0 HB THR A 73 -1.966 -14.693 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.099 -16.139 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.664 -13.558 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.154 -12.667 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.354 -13.620 3.179 1.00 0.00 H new ATOM 931 N ALA A 74 -6.189 -14.316 0.382 1.00 0.00 N ATOM 932 CA ALA A 74 -7.622 -14.333 0.649 1.00 0.00 C ATOM 933 C ALA A 74 -8.419 -14.285 -0.651 1.00 0.00 C ATOM 934 O ALA A 74 -8.832 -13.214 -1.098 1.00 0.00 O ATOM 935 CB ALA A 74 -8.007 -13.168 1.548 1.00 0.00 C ATOM 0 H ALA A 74 -5.917 -13.750 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.861 -15.265 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.080 -13.194 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.469 -13.244 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.748 -12.229 1.058 1.00 0.00 H new ATOM 941 N CYS A 75 -8.630 -15.450 -1.256 1.00 0.00 N ATOM 942 CA CYS A 75 -9.373 -15.536 -2.509 1.00 0.00 C ATOM 943 C CYS A 75 -10.838 -15.874 -2.256 1.00 0.00 C ATOM 944 O CYS A 75 -11.168 -16.617 -1.330 1.00 0.00 O ATOM 945 CB CYS A 75 -8.740 -16.588 -3.424 1.00 0.00 C ATOM 946 SG CYS A 75 -9.692 -16.939 -4.941 1.00 0.00 S ATOM 0 H CYS A 75 -8.298 -16.346 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.329 -14.563 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -7.742 -16.253 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.619 -17.515 -2.863 1.00 0.00 H new ATOM 951 N THR A 76 -11.713 -15.324 -3.092 1.00 0.00 N ATOM 952 CA THR A 76 -13.146 -15.563 -2.974 1.00 0.00 C ATOM 953 C THR A 76 -13.833 -15.375 -4.321 1.00 0.00 C ATOM 954 O THR A 76 -14.655 -16.194 -4.734 1.00 0.00 O ATOM 955 CB THR A 76 -13.759 -14.617 -1.941 1.00 0.00 C ATOM 956 OG1 THR A 76 -12.900 -14.468 -0.825 1.00 0.00 O ATOM 957 CG2 THR A 76 -15.104 -15.082 -1.427 1.00 0.00 C ATOM 0 H THR A 76 -11.452 -14.707 -3.862 1.00 0.00 H new ATOM 0 HA THR A 76 -13.295 -16.592 -2.646 1.00 0.00 H new ATOM 0 HB THR A 76 -13.896 -13.670 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.309 -13.858 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.482 -14.366 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.805 -15.158 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.995 -16.058 -0.954 1.00 0.00 H new ATOM 965 N ASN A 77 -13.485 -14.289 -5.004 1.00 0.00 N ATOM 966 CA ASN A 77 -14.060 -13.983 -6.309 1.00 0.00 C ATOM 967 C ASN A 77 -13.217 -12.939 -7.031 1.00 0.00 C ATOM 968 O ASN A 77 -13.614 -11.779 -7.154 1.00 0.00 O ATOM 969 CB ASN A 77 -15.498 -13.482 -6.152 1.00 0.00 C ATOM 970 CG ASN A 77 -15.627 -12.424 -5.073 1.00 0.00 C ATOM 971 OD1 ASN A 77 -14.829 -11.489 -5.006 1.00 0.00 O ATOM 972 ND2 ASN A 77 -16.634 -12.567 -4.219 1.00 0.00 N ATOM 0 H ASN A 77 -12.805 -13.604 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.069 -14.896 -6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.843 -13.073 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.149 -14.323 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.769 -11.887 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.272 -13.357 -4.311 1.00 0.00 H new ATOM 979 N SER A 78 -12.045 -13.355 -7.502 1.00 0.00 N ATOM 980 CA SER A 78 -11.141 -12.454 -8.205 1.00 0.00 C ATOM 981 C SER A 78 -10.377 -13.189 -9.304 1.00 0.00 C ATOM 982 O SER A 78 -10.392 -14.419 -9.366 1.00 0.00 O ATOM 983 CB SER A 78 -10.159 -11.822 -7.217 1.00 0.00 C ATOM 984 OG SER A 78 -10.737 -10.703 -6.569 1.00 0.00 O ATOM 0 H SER A 78 -11.700 -14.310 -7.409 1.00 0.00 H new ATOM 0 HA SER A 78 -11.737 -11.670 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.859 -12.561 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.256 -11.515 -7.744 1.00 0.00 H new ATOM 0 HG SER A 78 -10.135 -10.387 -5.863 1.00 0.00 H new ATOM 990 N SER A 79 -9.720 -12.427 -10.175 1.00 0.00 N ATOM 991 CA SER A 79 -8.962 -13.007 -11.280 1.00 0.00 C ATOM 992 C SER A 79 -7.597 -13.522 -10.838 1.00 0.00 C ATOM 993 O SER A 79 -7.122 -14.542 -11.334 1.00 0.00 O ATOM 994 CB SER A 79 -8.785 -11.976 -12.388 1.00 0.00 C ATOM 995 OG SER A 79 -9.294 -12.455 -13.620 1.00 0.00 O ATOM 0 H SER A 79 -9.697 -11.408 -10.137 1.00 0.00 H new ATOM 0 HA SER A 79 -9.532 -13.859 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.296 -11.053 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.728 -11.734 -12.498 1.00 0.00 H new ATOM 0 HG SER A 79 -9.169 -11.773 -14.313 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.959 -12.802 -9.926 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.644 -13.202 -9.465 1.00 0.00 C ATOM 1003 C GLY A 80 -5.656 -13.941 -8.144 1.00 0.00 C ATOM 1004 O GLY A 80 -4.604 -14.355 -7.658 1.00 0.00 O ATOM 0 H GLY A 80 -7.326 -11.952 -9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.182 -13.837 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.018 -12.315 -9.368 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.830 -14.103 -7.549 1.00 0.00 N ATOM 1009 CA CYS A 81 -6.920 -14.792 -6.268 1.00 0.00 C ATOM 1010 C CYS A 81 -6.899 -16.312 -6.456 1.00 0.00 C ATOM 1011 O CYS A 81 -7.799 -16.889 -7.067 1.00 0.00 O ATOM 1012 CB CYS A 81 -8.167 -14.342 -5.490 1.00 0.00 C ATOM 1013 SG CYS A 81 -9.725 -15.174 -5.954 1.00 0.00 S ATOM 0 H CYS A 81 -7.719 -13.773 -7.924 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.044 -14.522 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.990 -14.507 -4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.293 -13.268 -5.629 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.848 -16.985 -5.948 1.00 0.00 N ATOM 1019 CA PRO A 82 -5.701 -18.428 -6.069 1.00 0.00 C ATOM 1020 C PRO A 82 -6.327 -19.184 -4.898 1.00 0.00 C ATOM 1021 O PRO A 82 -7.147 -20.081 -5.095 1.00 0.00 O ATOM 1022 CB PRO A 82 -4.184 -18.607 -6.075 1.00 0.00 C ATOM 1023 CG PRO A 82 -3.647 -17.470 -5.262 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.706 -16.388 -5.233 1.00 0.00 C ATOM 0 HA PRO A 82 -6.204 -18.824 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.900 -19.567 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.790 -18.584 -7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.410 -17.801 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.723 -17.090 -5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.972 -16.118 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.360 -15.478 -5.723 1.00 0.00 H new ATOM 1032 N GLY A 83 -5.937 -18.817 -3.680 1.00 0.00 N ATOM 1033 CA GLY A 83 -6.469 -19.472 -2.500 1.00 0.00 C ATOM 1034 C GLY A 83 -5.378 -20.038 -1.611 1.00 0.00 C ATOM 1035 O GLY A 83 -5.505 -21.146 -1.088 1.00 0.00 O ATOM 0 H GLY A 83 -5.261 -18.077 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.065 -18.759 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.139 -20.276 -2.805 1.00 0.00 H new ATOM 1039 N HIS A 84 -4.302 -19.275 -1.442 1.00 0.00 N ATOM 1040 CA HIS A 84 -3.182 -19.707 -0.613 1.00 0.00 C ATOM 1041 C HIS A 84 -3.490 -19.504 0.868 1.00 0.00 C ATOM 1042 O HIS A 84 -3.648 -20.516 1.583 1.00 0.00 O ATOM 1043 CB HIS A 84 -1.914 -18.938 -0.991 1.00 0.00 C ATOM 1044 CG HIS A 84 -1.379 -19.295 -2.344 1.00 0.00 C ATOM 1045 ND1 HIS A 84 -1.174 -18.364 -3.340 1.00 0.00 N ATOM 1046 CD2 HIS A 84 -1.004 -20.489 -2.863 1.00 0.00 C ATOM 1047 CE1 HIS A 84 -0.699 -18.971 -4.414 1.00 0.00 C ATOM 1048 NE2 HIS A 84 -0.586 -20.258 -4.150 1.00 0.00 N ATOM 1049 OXT HIS A 84 -3.571 -18.335 1.299 1.00 0.00 O ATOM 0 H HIS A 84 -4.182 -18.356 -1.868 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.021 -20.770 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.125 -17.869 -0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.145 -19.131 -0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.029 -21.444 -2.359 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.446 -18.494 -5.349 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.243 -20.968 -4.798 1.00 0.00 H new TER 1058 HIS A 84