USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 570 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: C 593 ASN : amide:sc= -1.41 K(o=-1.4,f=-2!) USER MOD Set 1.2: C 634 SER OG : rot 180:sc= 0 USER MOD Set 2.1: C 575 ASN :FLIP amide:sc= -0.957 F(o=-3.1,f=-2.5) USER MOD Set 2.2: C 599 GLN : amide:sc= -2.14 K(o=-2.5,f=-7.6!) USER MOD Set 2.3: C 600 SER OG : rot -58:sc= 0.0581 USER MOD Set 2.4: C 627 THR OG1 : rot -17:sc= 0.547 USER MOD Set 3.1: C 583 SER OG : rot 42:sc= -0.263! USER MOD Set 3.2: C 622 ASN : amide:sc= -7.92! C(o=-8.2!,f=-18!) USER MOD Set 4.1: C 561 SER OG : rot 86:sc= 1.01 USER MOD Set 4.2: C 581 SER OG : rot -110:sc= 0.968 USER MOD Single : C 557 THR OG1 : rot -36:sc= 0.299 USER MOD Single : C 559 SER OG : rot 180:sc= 0 USER MOD Single : C 563 SER OG : rot 180:sc= 0 USER MOD Single : C 577 THR OG1 : rot 180:sc= 0 USER MOD Single : C 578 TYR OH : rot 30:sc= -0.0667 USER MOD Single : C 579 SER OG : rot 180:sc= 0 USER MOD Single : C 584 SER OG : rot 180:sc= 0 USER MOD Single : C 585 SER OG : rot 180:sc= 0 USER MOD Single : C 589 THR OG1 : rot 180:sc= 0 USER MOD Single : C 596 GLN :FLIP amide:sc= 0.735 F(o=-1.1,f=0.74) USER MOD Single : C 597 SER OG : rot 180:sc= 0 USER MOD Single : C 601 SER OG : rot 76:sc= -7.35! USER MOD Single : C 603 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : C 607 THR OG1 : rot 180:sc= 0 USER MOD Single : C 609 SER OG : rot 180:sc= -0.048 USER MOD Single : C 610 SER OG : rot 180:sc= 0 USER MOD Single : C 612 THR OG1 : rot 180:sc= 0 USER MOD Single : C 614 THR OG1 : rot 180:sc= 0 USER MOD Single : C 618 ASN : amide:sc= -1.67 K(o=-1.7,f=-11!) USER MOD Single : C 620 SER OG : rot 180:sc= -1.19! USER MOD Single : C 623 SER OG : rot 180:sc= 0 USER MOD Single : C 629 TYR OH : rot 30:sc= -1.52! USER MOD Single : C 630 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 631 ASN :FLIP amide:sc= -0.0361 F(o=-0.98,f=-0.036) USER MOD Single : C 633 SER OG : rot 180:sc= -0.0461 USER MOD Single : C 636 THR OG1 : rot 180:sc= 0.108 USER MOD Single : C 640 THR OG1 : rot 116:sc= 0.685 USER MOD Single : C 643 THR OG1 : rot 14:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 557 -2.686 16.338 -9.520 1.00 0.00 N ATOM 2 CA THR C 557 -1.880 17.577 -9.321 1.00 0.00 C ATOM 3 C THR C 557 -0.412 17.288 -9.642 1.00 0.00 C ATOM 4 O THR C 557 0.247 18.049 -10.322 1.00 0.00 O ATOM 5 CB THR C 557 -2.004 18.038 -7.868 1.00 0.00 C ATOM 6 OG1 THR C 557 -1.758 16.939 -7.002 1.00 0.00 O ATOM 7 CG2 THR C 557 -3.411 18.581 -7.620 1.00 0.00 C ATOM 0 HA THR C 557 -2.249 18.361 -9.983 1.00 0.00 H new ATOM 0 HB THR C 557 -1.275 18.825 -7.673 1.00 0.00 H new ATOM 0 HG1 THR C 557 -2.118 16.120 -7.402 1.00 0.00 H new ATOM 0 HG21 THR C 557 -3.497 18.909 -6.584 1.00 0.00 H new ATOM 0 HG22 THR C 557 -3.598 19.425 -8.284 1.00 0.00 H new ATOM 0 HG23 THR C 557 -4.143 17.797 -7.814 1.00 0.00 H new ATOM 17 N GLY C 558 0.105 16.191 -9.159 1.00 0.00 N ATOM 18 CA GLY C 558 1.530 15.854 -9.436 1.00 0.00 C ATOM 19 C GLY C 558 1.792 14.395 -9.062 1.00 0.00 C ATOM 20 O GLY C 558 0.909 13.561 -9.115 1.00 0.00 O ATOM 0 H GLY C 558 -0.398 15.514 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY C 558 1.755 16.016 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY C 558 2.187 16.510 -8.866 1.00 0.00 H new ATOM 24 N SER C 559 3.000 14.077 -8.682 1.00 0.00 N ATOM 25 CA SER C 559 3.318 12.672 -8.304 1.00 0.00 C ATOM 26 C SER C 559 3.628 12.605 -6.807 1.00 0.00 C ATOM 27 O SER C 559 3.930 13.602 -6.182 1.00 0.00 O ATOM 28 CB SER C 559 4.532 12.192 -9.099 1.00 0.00 C ATOM 29 OG SER C 559 5.708 12.785 -8.565 1.00 0.00 O ATOM 0 H SER C 559 3.780 14.731 -8.617 1.00 0.00 H new ATOM 0 HA SER C 559 2.463 12.033 -8.527 1.00 0.00 H new ATOM 0 HB2 SER C 559 4.605 11.105 -9.052 1.00 0.00 H new ATOM 0 HB3 SER C 559 4.421 12.459 -10.150 1.00 0.00 H new ATOM 0 HG SER C 559 6.488 12.478 -9.072 1.00 0.00 H new ATOM 35 N CYS C 560 3.558 11.437 -6.228 1.00 0.00 N ATOM 36 CA CYS C 560 3.850 11.310 -4.773 1.00 0.00 C ATOM 37 C CYS C 560 5.192 10.595 -4.592 1.00 0.00 C ATOM 38 O CYS C 560 5.730 10.009 -5.509 1.00 0.00 O ATOM 39 CB CYS C 560 2.693 10.539 -4.095 1.00 0.00 C ATOM 40 SG CYS C 560 3.274 9.436 -2.773 1.00 0.00 S ATOM 0 H CYS C 560 3.312 10.567 -6.700 1.00 0.00 H new ATOM 0 HA CYS C 560 3.925 12.291 -4.304 1.00 0.00 H new ATOM 0 HB2 CYS C 560 1.979 11.251 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS C 560 2.162 9.953 -4.845 1.00 0.00 H new ATOM 45 N SER C 561 5.729 10.648 -3.408 1.00 0.00 N ATOM 46 CA SER C 561 7.036 9.980 -3.141 1.00 0.00 C ATOM 47 C SER C 561 6.922 9.158 -1.859 1.00 0.00 C ATOM 48 O SER C 561 6.453 9.638 -0.846 1.00 0.00 O ATOM 49 CB SER C 561 8.126 11.040 -2.975 1.00 0.00 C ATOM 50 OG SER C 561 7.539 12.249 -2.514 1.00 0.00 O ATOM 0 H SER C 561 5.318 11.128 -2.607 1.00 0.00 H new ATOM 0 HA SER C 561 7.294 9.327 -3.975 1.00 0.00 H new ATOM 0 HB2 SER C 561 8.880 10.695 -2.267 1.00 0.00 H new ATOM 0 HB3 SER C 561 8.634 11.208 -3.925 1.00 0.00 H new ATOM 0 HG SER C 561 7.478 12.231 -1.536 1.00 0.00 H new ATOM 56 N VAL C 562 7.333 7.919 -1.889 1.00 0.00 N ATOM 57 CA VAL C 562 7.225 7.077 -0.664 1.00 0.00 C ATOM 58 C VAL C 562 8.276 5.967 -0.691 1.00 0.00 C ATOM 59 O VAL C 562 8.779 5.596 -1.733 1.00 0.00 O ATOM 60 CB VAL C 562 5.830 6.451 -0.610 1.00 0.00 C ATOM 61 CG1 VAL C 562 5.455 6.152 0.842 1.00 0.00 C ATOM 62 CG2 VAL C 562 4.816 7.420 -1.220 1.00 0.00 C ATOM 0 H VAL C 562 7.736 7.456 -2.703 1.00 0.00 H new ATOM 0 HA VAL C 562 7.391 7.700 0.215 1.00 0.00 H new ATOM 0 HB VAL C 562 5.826 5.520 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL C 562 4.461 5.706 0.877 1.00 0.00 H new ATOM 0 HG12 VAL C 562 6.179 5.458 1.269 1.00 0.00 H new ATOM 0 HG13 VAL C 562 5.458 7.078 1.417 1.00 0.00 H new ATOM 0 HG21 VAL C 562 3.821 6.976 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL C 562 4.819 8.353 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL C 562 5.084 7.623 -2.257 1.00 0.00 H new ATOM 72 N SER C 563 8.606 5.430 0.453 1.00 0.00 N ATOM 73 CA SER C 563 9.617 4.338 0.506 1.00 0.00 C ATOM 74 C SER C 563 9.035 3.153 1.281 1.00 0.00 C ATOM 75 O SER C 563 8.389 3.321 2.296 1.00 0.00 O ATOM 76 CB SER C 563 10.877 4.841 1.214 1.00 0.00 C ATOM 77 OG SER C 563 11.493 5.845 0.418 1.00 0.00 O ATOM 0 H SER C 563 8.217 5.703 1.356 1.00 0.00 H new ATOM 0 HA SER C 563 9.873 4.026 -0.506 1.00 0.00 H new ATOM 0 HB2 SER C 563 10.621 5.244 2.194 1.00 0.00 H new ATOM 0 HB3 SER C 563 11.570 4.016 1.379 1.00 0.00 H new ATOM 0 HG SER C 563 12.300 6.171 0.869 1.00 0.00 H new ATOM 83 N ALA C 564 9.254 1.954 0.811 1.00 0.00 N ATOM 84 CA ALA C 564 8.705 0.766 1.524 1.00 0.00 C ATOM 85 C ALA C 564 9.770 0.184 2.455 1.00 0.00 C ATOM 86 O ALA C 564 10.893 -0.057 2.058 1.00 0.00 O ATOM 87 CB ALA C 564 8.284 -0.294 0.505 1.00 0.00 C ATOM 0 H ALA C 564 9.788 1.747 -0.033 1.00 0.00 H new ATOM 0 HA ALA C 564 7.839 1.069 2.112 1.00 0.00 H new ATOM 0 HB1 ALA C 564 7.883 -1.162 1.028 1.00 0.00 H new ATOM 0 HB2 ALA C 564 7.520 0.118 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA C 564 9.149 -0.594 -0.086 1.00 0.00 H new ATOM 93 N VAL C 565 9.421 -0.052 3.690 1.00 0.00 N ATOM 94 CA VAL C 565 10.404 -0.625 4.652 1.00 0.00 C ATOM 95 C VAL C 565 9.901 -1.984 5.130 1.00 0.00 C ATOM 96 O VAL C 565 8.736 -2.297 4.993 1.00 0.00 O ATOM 97 CB VAL C 565 10.535 0.298 5.859 1.00 0.00 C ATOM 98 CG1 VAL C 565 11.903 0.093 6.514 1.00 0.00 C ATOM 99 CG2 VAL C 565 10.402 1.751 5.401 1.00 0.00 C ATOM 0 H VAL C 565 8.494 0.128 4.075 1.00 0.00 H new ATOM 0 HA VAL C 565 11.371 -0.731 4.161 1.00 0.00 H new ATOM 0 HB VAL C 565 9.751 0.068 6.580 1.00 0.00 H new ATOM 0 HG11 VAL C 565 11.996 0.753 7.377 1.00 0.00 H new ATOM 0 HG12 VAL C 565 12.000 -0.943 6.838 1.00 0.00 H new ATOM 0 HG13 VAL C 565 12.689 0.323 5.795 1.00 0.00 H new ATOM 0 HG21 VAL C 565 10.495 2.414 6.261 1.00 0.00 H new ATOM 0 HG22 VAL C 565 11.188 1.979 4.681 1.00 0.00 H new ATOM 0 HG23 VAL C 565 9.428 1.898 4.934 1.00 0.00 H new ATOM 109 N ARG C 566 10.764 -2.782 5.705 1.00 0.00 N ATOM 110 CA ARG C 566 10.328 -4.115 6.212 1.00 0.00 C ATOM 111 C ARG C 566 9.714 -3.936 7.600 1.00 0.00 C ATOM 112 O ARG C 566 10.203 -4.448 8.587 1.00 0.00 O ATOM 113 CB ARG C 566 11.533 -5.054 6.298 1.00 0.00 C ATOM 114 CG ARG C 566 11.833 -5.626 4.910 1.00 0.00 C ATOM 115 CD ARG C 566 11.605 -7.138 4.919 1.00 0.00 C ATOM 116 NE ARG C 566 12.790 -7.823 4.331 1.00 0.00 N ATOM 117 CZ ARG C 566 13.246 -8.918 4.873 1.00 0.00 C ATOM 118 NH1 ARG C 566 12.820 -10.080 4.457 1.00 0.00 N ATOM 119 NH2 ARG C 566 14.129 -8.853 5.832 1.00 0.00 N ATOM 0 H ARG C 566 11.751 -2.567 5.845 1.00 0.00 H new ATOM 0 HA ARG C 566 9.592 -4.546 5.534 1.00 0.00 H new ATOM 0 HB2 ARG C 566 12.401 -4.515 6.677 1.00 0.00 H new ATOM 0 HB3 ARG C 566 11.329 -5.862 7.000 1.00 0.00 H new ATOM 0 HG2 ARG C 566 11.191 -5.156 4.165 1.00 0.00 H new ATOM 0 HG3 ARG C 566 12.863 -5.405 4.629 1.00 0.00 H new ATOM 0 HD2 ARG C 566 11.440 -7.485 5.939 1.00 0.00 H new ATOM 0 HD3 ARG C 566 10.709 -7.385 4.349 1.00 0.00 H new ATOM 0 HE ARG C 566 13.245 -7.436 3.504 1.00 0.00 H new ATOM 0 HH11 ARG C 566 12.130 -10.132 3.708 1.00 0.00 H new ATOM 0 HH12 ARG C 566 13.177 -10.936 4.881 1.00 0.00 H new ATOM 0 HH21 ARG C 566 14.462 -7.946 6.158 1.00 0.00 H new ATOM 0 HH22 ARG C 566 14.486 -9.710 6.256 1.00 0.00 H new ATOM 133 N GLY C 567 8.645 -3.201 7.666 1.00 0.00 N ATOM 134 CA GLY C 567 7.960 -2.949 8.959 1.00 0.00 C ATOM 135 C GLY C 567 7.917 -4.236 9.789 1.00 0.00 C ATOM 136 O GLY C 567 8.167 -5.316 9.291 1.00 0.00 O ATOM 0 H GLY C 567 8.207 -2.754 6.860 1.00 0.00 H new ATOM 0 HA2 GLY C 567 8.483 -2.168 9.511 1.00 0.00 H new ATOM 0 HA3 GLY C 567 6.947 -2.589 8.779 1.00 0.00 H new ATOM 140 N GLU C 568 7.606 -4.124 11.052 1.00 0.00 N ATOM 141 CA GLU C 568 7.552 -5.333 11.926 1.00 0.00 C ATOM 142 C GLU C 568 6.889 -6.494 11.181 1.00 0.00 C ATOM 143 O GLU C 568 6.252 -6.312 10.162 1.00 0.00 O ATOM 144 CB GLU C 568 6.744 -5.012 13.185 1.00 0.00 C ATOM 145 CG GLU C 568 7.647 -4.325 14.211 1.00 0.00 C ATOM 146 CD GLU C 568 7.200 -4.711 15.623 1.00 0.00 C ATOM 147 OE1 GLU C 568 6.108 -4.325 16.003 1.00 0.00 O ATOM 148 OE2 GLU C 568 7.959 -5.386 16.299 1.00 0.00 O ATOM 0 H GLU C 568 7.386 -3.244 11.519 1.00 0.00 H new ATOM 0 HA GLU C 568 8.567 -5.620 12.200 1.00 0.00 H new ATOM 0 HB2 GLU C 568 5.903 -4.366 12.935 1.00 0.00 H new ATOM 0 HB3 GLU C 568 6.328 -5.927 13.606 1.00 0.00 H new ATOM 0 HG2 GLU C 568 8.685 -4.619 14.053 1.00 0.00 H new ATOM 0 HG3 GLU C 568 7.600 -3.243 14.086 1.00 0.00 H new ATOM 155 N GLU C 569 7.034 -7.689 11.687 1.00 0.00 N ATOM 156 CA GLU C 569 6.415 -8.868 11.019 1.00 0.00 C ATOM 157 C GLU C 569 6.214 -9.983 12.048 1.00 0.00 C ATOM 158 O GLU C 569 6.242 -9.750 13.240 1.00 0.00 O ATOM 159 CB GLU C 569 7.335 -9.365 9.902 1.00 0.00 C ATOM 160 CG GLU C 569 8.675 -9.800 10.499 1.00 0.00 C ATOM 161 CD GLU C 569 9.140 -11.092 9.826 1.00 0.00 C ATOM 162 OE1 GLU C 569 9.478 -11.038 8.654 1.00 0.00 O ATOM 163 OE2 GLU C 569 9.150 -12.113 10.492 1.00 0.00 O ATOM 0 H GLU C 569 7.557 -7.899 12.537 1.00 0.00 H new ATOM 0 HA GLU C 569 5.452 -8.583 10.594 1.00 0.00 H new ATOM 0 HB2 GLU C 569 6.870 -10.200 9.378 1.00 0.00 H new ATOM 0 HB3 GLU C 569 7.492 -8.575 9.167 1.00 0.00 H new ATOM 0 HG2 GLU C 569 9.419 -9.016 10.358 1.00 0.00 H new ATOM 0 HG3 GLU C 569 8.573 -9.954 11.573 1.00 0.00 H new ATOM 170 N TRP C 570 6.015 -11.194 11.602 1.00 0.00 N ATOM 171 CA TRP C 570 5.815 -12.315 12.563 1.00 0.00 C ATOM 172 C TRP C 570 6.290 -13.628 11.929 1.00 0.00 C ATOM 173 O TRP C 570 7.470 -13.917 11.898 1.00 0.00 O ATOM 174 CB TRP C 570 4.332 -12.418 12.927 1.00 0.00 C ATOM 175 CG TRP C 570 3.903 -11.169 13.627 1.00 0.00 C ATOM 176 CD1 TRP C 570 4.017 -10.945 14.956 1.00 0.00 C ATOM 177 CD2 TRP C 570 3.296 -9.972 13.061 1.00 0.00 C ATOM 178 NE1 TRP C 570 3.519 -9.686 15.242 1.00 0.00 N ATOM 179 CE2 TRP C 570 3.062 -9.047 14.106 1.00 0.00 C ATOM 180 CE3 TRP C 570 2.929 -9.601 11.754 1.00 0.00 C ATOM 181 CZ2 TRP C 570 2.484 -7.800 13.864 1.00 0.00 C ATOM 182 CZ3 TRP C 570 2.347 -8.347 11.507 1.00 0.00 C ATOM 183 CH2 TRP C 570 2.126 -7.449 12.560 1.00 0.00 C ATOM 0 H TRP C 570 5.982 -11.454 10.616 1.00 0.00 H new ATOM 0 HA TRP C 570 6.394 -12.126 13.467 1.00 0.00 H new ATOM 0 HB2 TRP C 570 3.735 -12.567 12.027 1.00 0.00 H new ATOM 0 HB3 TRP C 570 4.163 -13.283 13.568 1.00 0.00 H new ATOM 0 HD1 TRP C 570 4.429 -11.636 15.676 1.00 0.00 H new ATOM 0 HE1 TRP C 570 3.493 -9.280 16.177 1.00 0.00 H new ATOM 0 HE3 TRP C 570 3.096 -10.285 10.935 1.00 0.00 H new ATOM 0 HZ2 TRP C 570 2.315 -7.111 14.679 1.00 0.00 H new ATOM 0 HZ3 TRP C 570 2.068 -8.073 10.500 1.00 0.00 H new ATOM 0 HH2 TRP C 570 1.679 -6.486 12.363 1.00 0.00 H new ATOM 194 N ALA C 571 5.388 -14.428 11.424 1.00 0.00 N ATOM 195 CA ALA C 571 5.802 -15.716 10.800 1.00 0.00 C ATOM 196 C ALA C 571 4.936 -15.988 9.569 1.00 0.00 C ATOM 197 O ALA C 571 5.401 -15.945 8.449 1.00 0.00 O ATOM 198 CB ALA C 571 5.618 -16.847 11.812 1.00 0.00 C ATOM 0 H ALA C 571 4.385 -14.244 11.417 1.00 0.00 H new ATOM 0 HA ALA C 571 6.848 -15.658 10.501 1.00 0.00 H new ATOM 0 HB1 ALA C 571 5.920 -17.792 11.360 1.00 0.00 H new ATOM 0 HB2 ALA C 571 6.233 -16.652 12.691 1.00 0.00 H new ATOM 0 HB3 ALA C 571 4.570 -16.904 12.107 1.00 0.00 H new ATOM 204 N ASP C 572 3.676 -16.267 9.770 1.00 0.00 N ATOM 205 CA ASP C 572 2.780 -16.541 8.612 1.00 0.00 C ATOM 206 C ASP C 572 2.351 -15.216 7.979 1.00 0.00 C ATOM 207 O ASP C 572 1.892 -15.172 6.856 1.00 0.00 O ATOM 208 CB ASP C 572 1.544 -17.302 9.093 1.00 0.00 C ATOM 209 CG ASP C 572 1.941 -18.266 10.213 1.00 0.00 C ATOM 210 OD1 ASP C 572 3.055 -18.763 10.171 1.00 0.00 O ATOM 211 OD2 ASP C 572 1.126 -18.491 11.092 1.00 0.00 O ATOM 0 H ASP C 572 3.230 -16.317 10.686 1.00 0.00 H new ATOM 0 HA ASP C 572 3.310 -17.142 7.874 1.00 0.00 H new ATOM 0 HB2 ASP C 572 0.790 -16.602 9.452 1.00 0.00 H new ATOM 0 HB3 ASP C 572 1.099 -17.854 8.265 1.00 0.00 H new ATOM 216 N ARG C 573 2.497 -14.135 8.695 1.00 0.00 N ATOM 217 CA ARG C 573 2.099 -12.810 8.136 1.00 0.00 C ATOM 218 C ARG C 573 3.200 -11.789 8.430 1.00 0.00 C ATOM 219 O ARG C 573 3.835 -11.828 9.466 1.00 0.00 O ATOM 220 CB ARG C 573 0.782 -12.331 8.770 1.00 0.00 C ATOM 221 CG ARG C 573 0.332 -13.302 9.866 1.00 0.00 C ATOM 222 CD ARG C 573 -1.050 -12.891 10.378 1.00 0.00 C ATOM 223 NE ARG C 573 -1.613 -13.985 11.220 1.00 0.00 N ATOM 224 CZ ARG C 573 -1.524 -13.920 12.520 1.00 0.00 C ATOM 225 NH1 ARG C 573 -0.606 -14.604 13.145 1.00 0.00 N ATOM 226 NH2 ARG C 573 -2.352 -13.170 13.194 1.00 0.00 N ATOM 0 H ARG C 573 2.874 -14.111 9.642 1.00 0.00 H new ATOM 0 HA ARG C 573 1.956 -12.910 7.060 1.00 0.00 H new ATOM 0 HB2 ARG C 573 0.915 -11.334 9.191 1.00 0.00 H new ATOM 0 HB3 ARG C 573 0.010 -12.253 8.005 1.00 0.00 H new ATOM 0 HG2 ARG C 573 0.299 -14.319 9.474 1.00 0.00 H new ATOM 0 HG3 ARG C 573 1.050 -13.300 10.686 1.00 0.00 H new ATOM 0 HD2 ARG C 573 -0.976 -11.972 10.959 1.00 0.00 H new ATOM 0 HD3 ARG C 573 -1.714 -12.685 9.539 1.00 0.00 H new ATOM 0 HE ARG C 573 -2.068 -14.785 10.780 1.00 0.00 H new ATOM 0 HH11 ARG C 573 0.042 -15.189 12.617 1.00 0.00 H new ATOM 0 HH12 ARG C 573 -0.536 -14.554 14.161 1.00 0.00 H new ATOM 0 HH21 ARG C 573 -3.069 -12.634 12.705 1.00 0.00 H new ATOM 0 HH22 ARG C 573 -2.282 -13.119 14.210 1.00 0.00 H new ATOM 240 N PHE C 574 3.433 -10.877 7.527 1.00 0.00 N ATOM 241 CA PHE C 574 4.494 -9.857 7.758 1.00 0.00 C ATOM 242 C PHE C 574 3.879 -8.459 7.681 1.00 0.00 C ATOM 243 O PHE C 574 2.899 -8.238 6.999 1.00 0.00 O ATOM 244 CB PHE C 574 5.576 -9.997 6.686 1.00 0.00 C ATOM 245 CG PHE C 574 4.949 -9.860 5.320 1.00 0.00 C ATOM 246 CD1 PHE C 574 4.683 -8.589 4.796 1.00 0.00 C ATOM 247 CD2 PHE C 574 4.632 -11.004 4.579 1.00 0.00 C ATOM 248 CE1 PHE C 574 4.100 -8.463 3.530 1.00 0.00 C ATOM 249 CE2 PHE C 574 4.048 -10.878 3.313 1.00 0.00 C ATOM 250 CZ PHE C 574 3.782 -9.608 2.788 1.00 0.00 C ATOM 0 H PHE C 574 2.935 -10.794 6.640 1.00 0.00 H new ATOM 0 HA PHE C 574 4.936 -10.007 8.743 1.00 0.00 H new ATOM 0 HB2 PHE C 574 6.342 -9.234 6.825 1.00 0.00 H new ATOM 0 HB3 PHE C 574 6.070 -10.965 6.776 1.00 0.00 H new ATOM 0 HD1 PHE C 574 4.928 -7.706 5.368 1.00 0.00 H new ATOM 0 HD2 PHE C 574 4.838 -11.984 4.984 1.00 0.00 H new ATOM 0 HE1 PHE C 574 3.895 -7.483 3.125 1.00 0.00 H new ATOM 0 HE2 PHE C 574 3.803 -11.761 2.741 1.00 0.00 H new ATOM 0 HZ PHE C 574 3.332 -9.511 1.811 1.00 0.00 H new ATOM 260 N ASN C 575 4.446 -7.512 8.377 1.00 0.00 N ATOM 261 CA ASN C 575 3.891 -6.131 8.341 1.00 0.00 C ATOM 262 C ASN C 575 4.894 -5.196 7.666 1.00 0.00 C ATOM 263 O ASN C 575 6.088 -5.419 7.701 1.00 0.00 O ATOM 264 CB ASN C 575 3.631 -5.646 9.768 1.00 0.00 C ATOM 265 CG ASN C 575 2.453 -4.669 9.767 1.00 0.00 C ATOM 266 OD1 ASN C 575 1.246 -5.121 9.966 1.00 0.00 O flip ATOM 267 ND2 ASN C 575 2.635 -3.482 9.584 1.00 0.00 N flip ATOM 0 H ASN C 575 5.268 -7.635 8.968 1.00 0.00 H new ATOM 0 HA ASN C 575 2.956 -6.132 7.780 1.00 0.00 H new ATOM 0 HB2 ASN C 575 3.414 -6.494 10.418 1.00 0.00 H new ATOM 0 HB3 ASN C 575 4.521 -5.159 10.166 1.00 0.00 H new ATOM 0 HD21 ASN C 575 3.579 -3.129 9.428 1.00 0.00 H new ATOM 0 HD22 ASN C 575 1.844 -2.838 9.586 1.00 0.00 H new ATOM 274 N VAL C 576 4.419 -4.148 7.055 1.00 0.00 N ATOM 275 CA VAL C 576 5.343 -3.195 6.382 1.00 0.00 C ATOM 276 C VAL C 576 5.041 -1.777 6.860 1.00 0.00 C ATOM 277 O VAL C 576 3.953 -1.479 7.313 1.00 0.00 O ATOM 278 CB VAL C 576 5.144 -3.269 4.868 1.00 0.00 C ATOM 279 CG1 VAL C 576 6.373 -2.714 4.150 1.00 0.00 C ATOM 280 CG2 VAL C 576 4.937 -4.725 4.452 1.00 0.00 C ATOM 0 H VAL C 576 3.429 -3.910 6.993 1.00 0.00 H new ATOM 0 HA VAL C 576 6.373 -3.456 6.626 1.00 0.00 H new ATOM 0 HB VAL C 576 4.270 -2.677 4.597 1.00 0.00 H new ATOM 0 HG11 VAL C 576 6.221 -2.771 3.072 1.00 0.00 H new ATOM 0 HG12 VAL C 576 6.526 -1.675 4.440 1.00 0.00 H new ATOM 0 HG13 VAL C 576 7.250 -3.300 4.425 1.00 0.00 H new ATOM 0 HG21 VAL C 576 4.795 -4.778 3.373 1.00 0.00 H new ATOM 0 HG22 VAL C 576 5.812 -5.311 4.732 1.00 0.00 H new ATOM 0 HG23 VAL C 576 4.056 -5.125 4.954 1.00 0.00 H new ATOM 290 N THR C 577 5.995 -0.902 6.759 1.00 0.00 N ATOM 291 CA THR C 577 5.775 0.503 7.201 1.00 0.00 C ATOM 292 C THR C 577 6.164 1.456 6.069 1.00 0.00 C ATOM 293 O THR C 577 7.329 1.679 5.806 1.00 0.00 O ATOM 294 CB THR C 577 6.636 0.794 8.432 1.00 0.00 C ATOM 295 OG1 THR C 577 6.119 0.084 9.548 1.00 0.00 O ATOM 296 CG2 THR C 577 6.620 2.295 8.726 1.00 0.00 C ATOM 0 H THR C 577 6.925 -1.098 6.387 1.00 0.00 H new ATOM 0 HA THR C 577 4.724 0.645 7.454 1.00 0.00 H new ATOM 0 HB THR C 577 7.661 0.476 8.242 1.00 0.00 H new ATOM 0 HG1 THR C 577 6.671 0.268 10.337 1.00 0.00 H new ATOM 0 HG21 THR C 577 7.234 2.501 9.603 1.00 0.00 H new ATOM 0 HG22 THR C 577 7.019 2.838 7.869 1.00 0.00 H new ATOM 0 HG23 THR C 577 5.596 2.618 8.916 1.00 0.00 H new ATOM 304 N TYR C 578 5.199 2.019 5.395 1.00 0.00 N ATOM 305 CA TYR C 578 5.516 2.953 4.280 1.00 0.00 C ATOM 306 C TYR C 578 5.587 4.385 4.818 1.00 0.00 C ATOM 307 O TYR C 578 4.877 4.750 5.734 1.00 0.00 O ATOM 308 CB TYR C 578 4.425 2.858 3.212 1.00 0.00 C ATOM 309 CG TYR C 578 4.266 1.419 2.782 1.00 0.00 C ATOM 310 CD1 TYR C 578 5.205 0.837 1.922 1.00 0.00 C ATOM 311 CD2 TYR C 578 3.181 0.664 3.246 1.00 0.00 C ATOM 312 CE1 TYR C 578 5.058 -0.498 1.524 1.00 0.00 C ATOM 313 CE2 TYR C 578 3.034 -0.671 2.848 1.00 0.00 C ATOM 314 CZ TYR C 578 3.973 -1.252 1.987 1.00 0.00 C ATOM 315 OH TYR C 578 3.828 -2.567 1.595 1.00 0.00 O ATOM 0 H TYR C 578 4.205 1.872 5.569 1.00 0.00 H new ATOM 0 HA TYR C 578 6.477 2.685 3.841 1.00 0.00 H new ATOM 0 HB2 TYR C 578 3.482 3.238 3.605 1.00 0.00 H new ATOM 0 HB3 TYR C 578 4.685 3.478 2.354 1.00 0.00 H new ATOM 0 HD1 TYR C 578 6.043 1.417 1.565 1.00 0.00 H new ATOM 0 HD2 TYR C 578 2.457 1.112 3.911 1.00 0.00 H new ATOM 0 HE1 TYR C 578 5.782 -0.946 0.860 1.00 0.00 H new ATOM 0 HE2 TYR C 578 2.197 -1.252 3.205 1.00 0.00 H new ATOM 0 HH TYR C 578 4.711 -2.958 1.428 1.00 0.00 H new ATOM 325 N SER C 579 6.443 5.198 4.259 1.00 0.00 N ATOM 326 CA SER C 579 6.561 6.603 4.742 1.00 0.00 C ATOM 327 C SER C 579 6.377 7.569 3.569 1.00 0.00 C ATOM 328 O SER C 579 7.173 7.603 2.650 1.00 0.00 O ATOM 329 CB SER C 579 7.943 6.814 5.361 1.00 0.00 C ATOM 330 OG SER C 579 8.358 5.615 6.002 1.00 0.00 O ATOM 0 H SER C 579 7.065 4.950 3.490 1.00 0.00 H new ATOM 0 HA SER C 579 5.792 6.793 5.491 1.00 0.00 H new ATOM 0 HB2 SER C 579 8.660 7.095 4.590 1.00 0.00 H new ATOM 0 HB3 SER C 579 7.911 7.632 6.080 1.00 0.00 H new ATOM 0 HG SER C 579 9.245 5.746 6.399 1.00 0.00 H new ATOM 336 N VAL C 580 5.333 8.354 3.594 1.00 0.00 N ATOM 337 CA VAL C 580 5.092 9.320 2.484 1.00 0.00 C ATOM 338 C VAL C 580 5.878 10.608 2.748 1.00 0.00 C ATOM 339 O VAL C 580 6.281 10.886 3.861 1.00 0.00 O ATOM 340 CB VAL C 580 3.592 9.633 2.402 1.00 0.00 C ATOM 341 CG1 VAL C 580 3.366 10.937 1.631 1.00 0.00 C ATOM 342 CG2 VAL C 580 2.872 8.493 1.678 1.00 0.00 C ATOM 0 H VAL C 580 4.635 8.367 4.338 1.00 0.00 H new ATOM 0 HA VAL C 580 5.423 8.886 1.540 1.00 0.00 H new ATOM 0 HB VAL C 580 3.198 9.740 3.413 1.00 0.00 H new ATOM 0 HG11 VAL C 580 2.298 11.149 1.579 1.00 0.00 H new ATOM 0 HG12 VAL C 580 3.874 11.755 2.142 1.00 0.00 H new ATOM 0 HG13 VAL C 580 3.765 10.837 0.622 1.00 0.00 H new ATOM 0 HG21 VAL C 580 1.806 8.715 1.619 1.00 0.00 H new ATOM 0 HG22 VAL C 580 3.277 8.388 0.671 1.00 0.00 H new ATOM 0 HG23 VAL C 580 3.019 7.563 2.227 1.00 0.00 H new ATOM 352 N SER C 581 6.088 11.398 1.731 1.00 0.00 N ATOM 353 CA SER C 581 6.839 12.672 1.913 1.00 0.00 C ATOM 354 C SER C 581 6.030 13.819 1.305 1.00 0.00 C ATOM 355 O SER C 581 6.454 14.462 0.364 1.00 0.00 O ATOM 356 CB SER C 581 8.193 12.573 1.211 1.00 0.00 C ATOM 357 OG SER C 581 8.003 12.084 -0.111 1.00 0.00 O ATOM 0 H SER C 581 5.771 11.215 0.779 1.00 0.00 H new ATOM 0 HA SER C 581 6.999 12.856 2.975 1.00 0.00 H new ATOM 0 HB2 SER C 581 8.674 13.551 1.184 1.00 0.00 H new ATOM 0 HB3 SER C 581 8.855 11.908 1.765 1.00 0.00 H new ATOM 0 HG SER C 581 8.362 11.175 -0.178 1.00 0.00 H new ATOM 363 N GLY C 582 4.865 14.077 1.832 1.00 0.00 N ATOM 364 CA GLY C 582 4.023 15.178 1.285 1.00 0.00 C ATOM 365 C GLY C 582 2.661 15.162 1.981 1.00 0.00 C ATOM 366 O GLY C 582 2.028 16.185 2.150 1.00 0.00 O ATOM 0 H GLY C 582 4.459 13.572 2.620 1.00 0.00 H new ATOM 0 HA2 GLY C 582 4.513 16.139 1.441 1.00 0.00 H new ATOM 0 HA3 GLY C 582 3.897 15.055 0.209 1.00 0.00 H new ATOM 370 N SER C 583 2.205 14.006 2.384 1.00 0.00 N ATOM 371 CA SER C 583 0.887 13.919 3.071 1.00 0.00 C ATOM 372 C SER C 583 -0.171 14.653 2.240 1.00 0.00 C ATOM 373 O SER C 583 -0.605 14.162 1.218 1.00 0.00 O ATOM 374 CB SER C 583 0.993 14.542 4.466 1.00 0.00 C ATOM 375 OG SER C 583 1.827 15.691 4.408 1.00 0.00 O ATOM 0 H SER C 583 2.691 13.117 2.266 1.00 0.00 H new ATOM 0 HA SER C 583 0.595 12.874 3.174 1.00 0.00 H new ATOM 0 HB2 SER C 583 0.003 14.816 4.830 1.00 0.00 H new ATOM 0 HB3 SER C 583 1.402 13.817 5.170 1.00 0.00 H new ATOM 0 HG SER C 583 1.613 16.210 3.605 1.00 0.00 H new ATOM 381 N SER C 584 -0.589 15.822 2.664 1.00 0.00 N ATOM 382 CA SER C 584 -1.619 16.580 1.892 1.00 0.00 C ATOM 383 C SER C 584 -2.688 15.614 1.368 1.00 0.00 C ATOM 384 O SER C 584 -3.635 15.290 2.055 1.00 0.00 O ATOM 385 CB SER C 584 -0.950 17.295 0.717 1.00 0.00 C ATOM 386 OG SER C 584 -0.202 18.401 1.206 1.00 0.00 O ATOM 0 H SER C 584 -0.260 16.283 3.512 1.00 0.00 H new ATOM 0 HA SER C 584 -2.091 17.316 2.543 1.00 0.00 H new ATOM 0 HB2 SER C 584 -0.296 16.607 0.182 1.00 0.00 H new ATOM 0 HB3 SER C 584 -1.703 17.636 0.007 1.00 0.00 H new ATOM 0 HG SER C 584 0.230 18.861 0.456 1.00 0.00 H new ATOM 392 N SER C 585 -2.540 15.151 0.155 1.00 0.00 N ATOM 393 CA SER C 585 -3.540 14.204 -0.413 1.00 0.00 C ATOM 394 C SER C 585 -2.814 13.160 -1.256 1.00 0.00 C ATOM 395 O SER C 585 -2.975 13.096 -2.458 1.00 0.00 O ATOM 396 CB SER C 585 -4.532 14.971 -1.288 1.00 0.00 C ATOM 397 OG SER C 585 -5.157 15.984 -0.512 1.00 0.00 O ATOM 0 H SER C 585 -1.768 15.389 -0.467 1.00 0.00 H new ATOM 0 HA SER C 585 -4.081 13.712 0.395 1.00 0.00 H new ATOM 0 HB2 SER C 585 -4.016 15.415 -2.139 1.00 0.00 H new ATOM 0 HB3 SER C 585 -5.282 14.290 -1.690 1.00 0.00 H new ATOM 0 HG SER C 585 -5.792 16.479 -1.070 1.00 0.00 H new ATOM 403 N TRP C 586 -2.012 12.339 -0.635 1.00 0.00 N ATOM 404 CA TRP C 586 -1.280 11.304 -1.408 1.00 0.00 C ATOM 405 C TRP C 586 -2.137 10.050 -1.527 1.00 0.00 C ATOM 406 O TRP C 586 -2.405 9.365 -0.561 1.00 0.00 O ATOM 407 CB TRP C 586 0.037 10.955 -0.719 1.00 0.00 C ATOM 408 CG TRP C 586 -0.234 10.285 0.591 1.00 0.00 C ATOM 409 CD1 TRP C 586 -0.428 10.927 1.765 1.00 0.00 C ATOM 410 CD2 TRP C 586 -0.341 8.860 0.885 1.00 0.00 C ATOM 411 NE1 TRP C 586 -0.641 9.990 2.757 1.00 0.00 N ATOM 412 CE2 TRP C 586 -0.600 8.707 2.265 1.00 0.00 C ATOM 413 CE3 TRP C 586 -0.240 7.698 0.098 1.00 0.00 C ATOM 414 CZ2 TRP C 586 -0.753 7.453 2.850 1.00 0.00 C ATOM 415 CZ3 TRP C 586 -0.394 6.429 0.684 1.00 0.00 C ATOM 416 CH2 TRP C 586 -0.651 6.308 2.057 1.00 0.00 C ATOM 0 H TRP C 586 -1.834 12.342 0.369 1.00 0.00 H new ATOM 0 HA TRP C 586 -1.066 11.698 -2.401 1.00 0.00 H new ATOM 0 HB2 TRP C 586 0.628 10.299 -1.357 1.00 0.00 H new ATOM 0 HB3 TRP C 586 0.625 11.859 -0.560 1.00 0.00 H new ATOM 0 HD1 TRP C 586 -0.418 11.998 1.904 1.00 0.00 H new ATOM 0 HE1 TRP C 586 -0.808 10.222 3.736 1.00 0.00 H new ATOM 0 HE3 TRP C 586 -0.043 7.781 -0.961 1.00 0.00 H new ATOM 0 HZ2 TRP C 586 -0.949 7.366 3.909 1.00 0.00 H new ATOM 0 HZ3 TRP C 586 -0.314 5.542 0.073 1.00 0.00 H new ATOM 0 HH2 TRP C 586 -0.770 5.331 2.501 1.00 0.00 H new ATOM 427 N VAL C 587 -2.563 9.750 -2.714 1.00 0.00 N ATOM 428 CA VAL C 587 -3.399 8.547 -2.936 1.00 0.00 C ATOM 429 C VAL C 587 -2.551 7.494 -3.651 1.00 0.00 C ATOM 430 O VAL C 587 -2.396 7.518 -4.855 1.00 0.00 O ATOM 431 CB VAL C 587 -4.604 8.941 -3.791 1.00 0.00 C ATOM 432 CG1 VAL C 587 -4.164 9.930 -4.871 1.00 0.00 C ATOM 433 CG2 VAL C 587 -5.213 7.699 -4.447 1.00 0.00 C ATOM 0 H VAL C 587 -2.365 10.295 -3.553 1.00 0.00 H new ATOM 0 HA VAL C 587 -3.755 8.136 -1.991 1.00 0.00 H new ATOM 0 HB VAL C 587 -5.355 9.408 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL C 587 -5.024 10.210 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL C 587 -3.747 10.820 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL C 587 -3.407 9.465 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL C 587 -6.070 7.991 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL C 587 -4.467 7.219 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL C 587 -5.536 7.001 -3.675 1.00 0.00 H new ATOM 443 N VAL C 588 -1.981 6.583 -2.911 1.00 0.00 N ATOM 444 CA VAL C 588 -1.120 5.543 -3.539 1.00 0.00 C ATOM 445 C VAL C 588 -1.969 4.443 -4.158 1.00 0.00 C ATOM 446 O VAL C 588 -3.119 4.241 -3.815 1.00 0.00 O ATOM 447 CB VAL C 588 -0.221 4.898 -2.474 1.00 0.00 C ATOM 448 CG1 VAL C 588 0.300 3.542 -2.980 1.00 0.00 C ATOM 449 CG2 VAL C 588 0.964 5.813 -2.178 1.00 0.00 C ATOM 0 H VAL C 588 -2.075 6.514 -1.898 1.00 0.00 H new ATOM 0 HA VAL C 588 -0.520 6.027 -4.310 1.00 0.00 H new ATOM 0 HB VAL C 588 -0.803 4.746 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL C 588 0.937 3.090 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL C 588 -0.543 2.882 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL C 588 0.876 3.691 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL C 588 1.600 5.352 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL C 588 1.540 5.969 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL C 588 0.600 6.772 -1.810 1.00 0.00 H new ATOM 459 N THR C 589 -1.364 3.697 -5.033 1.00 0.00 N ATOM 460 CA THR C 589 -2.059 2.551 -5.663 1.00 0.00 C ATOM 461 C THR C 589 -1.262 1.288 -5.330 1.00 0.00 C ATOM 462 O THR C 589 -0.207 1.049 -5.880 1.00 0.00 O ATOM 463 CB THR C 589 -2.124 2.746 -7.180 1.00 0.00 C ATOM 464 OG1 THR C 589 -1.405 3.918 -7.536 1.00 0.00 O ATOM 465 CG2 THR C 589 -3.583 2.887 -7.617 1.00 0.00 C ATOM 0 H THR C 589 -0.402 3.837 -5.342 1.00 0.00 H new ATOM 0 HA THR C 589 -3.079 2.469 -5.288 1.00 0.00 H new ATOM 0 HB THR C 589 -1.681 1.883 -7.677 1.00 0.00 H new ATOM 0 HG1 THR C 589 -1.444 4.043 -8.507 1.00 0.00 H new ATOM 0 HG21 THR C 589 -3.627 3.026 -8.697 1.00 0.00 H new ATOM 0 HG22 THR C 589 -4.133 1.987 -7.344 1.00 0.00 H new ATOM 0 HG23 THR C 589 -4.029 3.749 -7.122 1.00 0.00 H new ATOM 473 N LEU C 590 -1.740 0.492 -4.415 1.00 0.00 N ATOM 474 CA LEU C 590 -0.986 -0.735 -4.032 1.00 0.00 C ATOM 475 C LEU C 590 -1.205 -1.830 -5.073 1.00 0.00 C ATOM 476 O LEU C 590 -2.305 -2.050 -5.539 1.00 0.00 O ATOM 477 CB LEU C 590 -1.473 -1.226 -2.667 1.00 0.00 C ATOM 478 CG LEU C 590 -0.639 -0.575 -1.563 1.00 0.00 C ATOM 479 CD1 LEU C 590 -1.548 0.261 -0.661 1.00 0.00 C ATOM 480 CD2 LEU C 590 0.041 -1.664 -0.730 1.00 0.00 C ATOM 0 H LEU C 590 -2.618 0.637 -3.917 1.00 0.00 H new ATOM 0 HA LEU C 590 0.077 -0.499 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU C 590 -2.526 -0.979 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU C 590 -1.390 -2.311 -2.608 1.00 0.00 H new ATOM 0 HG LEU C 590 0.118 0.068 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU C 590 -0.953 0.725 0.126 1.00 0.00 H new ATOM 0 HD12 LEU C 590 -2.034 1.036 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU C 590 -2.305 -0.381 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU C 590 0.636 -1.201 0.057 1.00 0.00 H new ATOM 0 HD22 LEU C 590 -0.717 -2.306 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU C 590 0.689 -2.261 -1.371 1.00 0.00 H new ATOM 492 N GLY C 591 -0.159 -2.520 -5.441 1.00 0.00 N ATOM 493 CA GLY C 591 -0.299 -3.604 -6.455 1.00 0.00 C ATOM 494 C GLY C 591 0.265 -4.910 -5.892 1.00 0.00 C ATOM 495 O GLY C 591 1.362 -5.315 -6.222 1.00 0.00 O ATOM 0 H GLY C 591 0.786 -2.380 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY C 591 -1.348 -3.734 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY C 591 0.230 -3.332 -7.368 1.00 0.00 H new ATOM 499 N LEU C 592 -0.476 -5.572 -5.047 1.00 0.00 N ATOM 500 CA LEU C 592 0.012 -6.847 -4.467 1.00 0.00 C ATOM 501 C LEU C 592 0.230 -7.867 -5.585 1.00 0.00 C ATOM 502 O LEU C 592 0.222 -7.533 -6.753 1.00 0.00 O ATOM 503 CB LEU C 592 -1.030 -7.380 -3.483 1.00 0.00 C ATOM 504 CG LEU C 592 -1.679 -6.223 -2.714 1.00 0.00 C ATOM 505 CD1 LEU C 592 -2.362 -6.768 -1.458 1.00 0.00 C ATOM 506 CD2 LEU C 592 -0.610 -5.205 -2.304 1.00 0.00 C ATOM 0 H LEU C 592 -1.402 -5.281 -4.734 1.00 0.00 H new ATOM 0 HA LEU C 592 0.955 -6.677 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU C 592 -1.794 -7.941 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU C 592 -0.559 -8.071 -2.784 1.00 0.00 H new ATOM 0 HG LEU C 592 -2.415 -5.736 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU C 592 -2.824 -5.947 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU C 592 -3.127 -7.490 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU C 592 -1.622 -7.256 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU C 592 -1.078 -4.386 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU C 592 0.129 -5.690 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU C 592 -0.119 -4.814 -3.195 1.00 0.00 H new ATOM 518 N ASN C 593 0.427 -9.110 -5.237 1.00 0.00 N ATOM 519 CA ASN C 593 0.646 -10.150 -6.282 1.00 0.00 C ATOM 520 C ASN C 593 -0.655 -10.923 -6.514 1.00 0.00 C ATOM 521 O ASN C 593 -0.642 -12.085 -6.863 1.00 0.00 O ATOM 522 CB ASN C 593 1.738 -11.116 -5.817 1.00 0.00 C ATOM 523 CG ASN C 593 2.984 -10.324 -5.416 1.00 0.00 C ATOM 524 OD1 ASN C 593 3.153 -9.190 -5.819 1.00 0.00 O ATOM 525 ND2 ASN C 593 3.870 -10.877 -4.634 1.00 0.00 N ATOM 0 H ASN C 593 0.446 -9.450 -4.275 1.00 0.00 H new ATOM 0 HA ASN C 593 0.954 -9.672 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN C 593 1.381 -11.705 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN C 593 1.981 -11.818 -6.615 1.00 0.00 H new ATOM 0 HD21 ASN C 593 4.704 -10.358 -4.361 1.00 0.00 H new ATOM 0 HD22 ASN C 593 3.728 -11.829 -4.296 1.00 0.00 H new ATOM 532 N GLY C 594 -1.776 -10.284 -6.322 1.00 0.00 N ATOM 533 CA GLY C 594 -3.077 -10.982 -6.533 1.00 0.00 C ATOM 534 C GLY C 594 -3.172 -12.183 -5.590 1.00 0.00 C ATOM 535 O GLY C 594 -3.931 -13.104 -5.818 1.00 0.00 O ATOM 0 H GLY C 594 -1.848 -9.310 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY C 594 -3.904 -10.296 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY C 594 -3.161 -11.312 -7.568 1.00 0.00 H new ATOM 539 N GLY C 595 -2.409 -12.181 -4.532 1.00 0.00 N ATOM 540 CA GLY C 595 -2.459 -13.323 -3.575 1.00 0.00 C ATOM 541 C GLY C 595 -2.520 -12.789 -2.144 1.00 0.00 C ATOM 542 O GLY C 595 -3.499 -12.969 -1.445 1.00 0.00 O ATOM 0 H GLY C 595 -1.753 -11.439 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY C 595 -3.331 -13.944 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY C 595 -1.580 -13.955 -3.701 1.00 0.00 H new ATOM 546 N GLN C 596 -1.484 -12.133 -1.700 1.00 0.00 N ATOM 547 CA GLN C 596 -1.485 -11.587 -0.314 1.00 0.00 C ATOM 548 C GLN C 596 -2.721 -10.709 -0.113 1.00 0.00 C ATOM 549 O GLN C 596 -3.373 -10.311 -1.059 1.00 0.00 O ATOM 550 CB GLN C 596 -0.223 -10.750 -0.094 1.00 0.00 C ATOM 551 CG GLN C 596 1.011 -11.585 -0.445 1.00 0.00 C ATOM 552 CD GLN C 596 1.932 -10.776 -1.361 1.00 0.00 C ATOM 553 OE1 GLN C 596 1.441 -10.228 -2.439 1.00 0.00 O flip ATOM 554 NE2 GLN C 596 3.108 -10.641 -1.092 1.00 0.00 N flip ATOM 0 H GLN C 596 -0.636 -11.951 -2.237 1.00 0.00 H new ATOM 0 HA GLN C 596 -1.504 -12.410 0.401 1.00 0.00 H new ATOM 0 HB2 GLN C 596 -0.256 -9.853 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN C 596 -0.169 -10.420 0.943 1.00 0.00 H new ATOM 0 HG2 GLN C 596 1.542 -11.868 0.464 1.00 0.00 H new ATOM 0 HG3 GLN C 596 0.710 -12.509 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN C 596 3.491 -11.070 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN C 596 3.713 -10.099 -1.709 1.00 0.00 H new ATOM 563 N SER C 597 -3.052 -10.404 1.112 1.00 0.00 N ATOM 564 CA SER C 597 -4.246 -9.553 1.372 1.00 0.00 C ATOM 565 C SER C 597 -4.014 -8.715 2.631 1.00 0.00 C ATOM 566 O SER C 597 -3.247 -9.082 3.498 1.00 0.00 O ATOM 567 CB SER C 597 -5.473 -10.443 1.572 1.00 0.00 C ATOM 568 OG SER C 597 -5.148 -11.492 2.475 1.00 0.00 O ATOM 0 H SER C 597 -2.546 -10.708 1.944 1.00 0.00 H new ATOM 0 HA SER C 597 -4.411 -8.892 0.521 1.00 0.00 H new ATOM 0 HB2 SER C 597 -6.304 -9.855 1.963 1.00 0.00 H new ATOM 0 HB3 SER C 597 -5.797 -10.857 0.617 1.00 0.00 H new ATOM 0 HG SER C 597 -5.932 -12.064 2.608 1.00 0.00 H new ATOM 574 N VAL C 598 -4.671 -7.593 2.738 1.00 0.00 N ATOM 575 CA VAL C 598 -4.488 -6.734 3.942 1.00 0.00 C ATOM 576 C VAL C 598 -5.419 -7.214 5.058 1.00 0.00 C ATOM 577 O VAL C 598 -6.569 -7.530 4.825 1.00 0.00 O ATOM 578 CB VAL C 598 -4.820 -5.284 3.589 1.00 0.00 C ATOM 579 CG1 VAL C 598 -4.844 -4.440 4.865 1.00 0.00 C ATOM 580 CG2 VAL C 598 -3.755 -4.735 2.636 1.00 0.00 C ATOM 0 H VAL C 598 -5.327 -7.234 2.044 1.00 0.00 H new ATOM 0 HA VAL C 598 -3.454 -6.798 4.280 1.00 0.00 H new ATOM 0 HB VAL C 598 -5.797 -5.242 3.107 1.00 0.00 H new ATOM 0 HG11 VAL C 598 -5.081 -3.406 4.613 1.00 0.00 H new ATOM 0 HG12 VAL C 598 -5.601 -4.830 5.545 1.00 0.00 H new ATOM 0 HG13 VAL C 598 -3.867 -4.481 5.347 1.00 0.00 H new ATOM 0 HG21 VAL C 598 -3.991 -3.701 2.384 1.00 0.00 H new ATOM 0 HG22 VAL C 598 -2.779 -4.777 3.118 1.00 0.00 H new ATOM 0 HG23 VAL C 598 -3.736 -5.335 1.726 1.00 0.00 H new ATOM 590 N GLN C 599 -4.932 -7.273 6.267 1.00 0.00 N ATOM 591 CA GLN C 599 -5.790 -7.732 7.395 1.00 0.00 C ATOM 592 C GLN C 599 -6.163 -6.536 8.272 1.00 0.00 C ATOM 593 O GLN C 599 -7.285 -6.410 8.723 1.00 0.00 O ATOM 594 CB GLN C 599 -5.025 -8.760 8.232 1.00 0.00 C ATOM 595 CG GLN C 599 -5.896 -9.213 9.405 1.00 0.00 C ATOM 596 CD GLN C 599 -5.618 -8.327 10.621 1.00 0.00 C ATOM 597 OE1 GLN C 599 -4.490 -7.948 10.864 1.00 0.00 O ATOM 598 NE2 GLN C 599 -6.606 -7.980 11.400 1.00 0.00 N ATOM 0 H GLN C 599 -3.977 -7.023 6.522 1.00 0.00 H new ATOM 0 HA GLN C 599 -6.697 -8.188 6.999 1.00 0.00 H new ATOM 0 HB2 GLN C 599 -4.753 -9.617 7.615 1.00 0.00 H new ATOM 0 HB3 GLN C 599 -4.096 -8.325 8.602 1.00 0.00 H new ATOM 0 HG2 GLN C 599 -6.950 -9.154 9.133 1.00 0.00 H new ATOM 0 HG3 GLN C 599 -5.686 -10.255 9.646 1.00 0.00 H new ATOM 0 HE21 GLN C 599 -7.553 -8.299 11.195 1.00 0.00 H new ATOM 0 HE22 GLN C 599 -6.431 -7.390 12.214 1.00 0.00 H new ATOM 607 N SER C 600 -5.231 -5.656 8.520 1.00 0.00 N ATOM 608 CA SER C 600 -5.534 -4.470 9.368 1.00 0.00 C ATOM 609 C SER C 600 -4.415 -3.438 9.217 1.00 0.00 C ATOM 610 O SER C 600 -3.277 -3.775 8.956 1.00 0.00 O ATOM 611 CB SER C 600 -5.635 -4.901 10.832 1.00 0.00 C ATOM 612 OG SER C 600 -4.461 -5.618 11.191 1.00 0.00 O ATOM 0 H SER C 600 -4.274 -5.708 8.172 1.00 0.00 H new ATOM 0 HA SER C 600 -6.480 -4.030 9.053 1.00 0.00 H new ATOM 0 HB2 SER C 600 -5.752 -4.027 11.473 1.00 0.00 H new ATOM 0 HB3 SER C 600 -6.516 -5.525 10.980 1.00 0.00 H new ATOM 0 HG SER C 600 -4.356 -6.391 10.598 1.00 0.00 H new ATOM 618 N SER C 601 -4.728 -2.182 9.380 1.00 0.00 N ATOM 619 CA SER C 601 -3.681 -1.130 9.246 1.00 0.00 C ATOM 620 C SER C 601 -3.967 0.003 10.233 1.00 0.00 C ATOM 621 O SER C 601 -5.101 0.264 10.582 1.00 0.00 O ATOM 622 CB SER C 601 -3.693 -0.579 7.820 1.00 0.00 C ATOM 623 OG SER C 601 -3.160 -1.556 6.935 1.00 0.00 O ATOM 0 H SER C 601 -5.663 -1.839 9.600 1.00 0.00 H new ATOM 0 HA SER C 601 -2.703 -1.561 9.461 1.00 0.00 H new ATOM 0 HB2 SER C 601 -4.710 -0.321 7.526 1.00 0.00 H new ATOM 0 HB3 SER C 601 -3.104 0.337 7.767 1.00 0.00 H new ATOM 0 HG SER C 601 -3.827 -2.257 6.782 1.00 0.00 H new ATOM 629 N TRP C 602 -2.946 0.680 10.686 1.00 0.00 N ATOM 630 CA TRP C 602 -3.162 1.795 11.650 1.00 0.00 C ATOM 631 C TRP C 602 -2.425 3.043 11.156 1.00 0.00 C ATOM 632 O TRP C 602 -1.486 2.958 10.389 1.00 0.00 O ATOM 633 CB TRP C 602 -2.622 1.393 13.025 1.00 0.00 C ATOM 634 CG TRP C 602 -1.163 1.081 12.916 1.00 0.00 C ATOM 635 CD1 TRP C 602 -0.161 1.956 13.160 1.00 0.00 C ATOM 636 CD2 TRP C 602 -0.527 -0.176 12.542 1.00 0.00 C ATOM 637 NE1 TRP C 602 1.046 1.320 12.960 1.00 0.00 N ATOM 638 CE2 TRP C 602 0.876 0.003 12.578 1.00 0.00 C ATOM 639 CE3 TRP C 602 -1.026 -1.440 12.179 1.00 0.00 C ATOM 640 CZ2 TRP C 602 1.754 -1.035 12.266 1.00 0.00 C ATOM 641 CZ3 TRP C 602 -0.145 -2.488 11.864 1.00 0.00 C ATOM 642 CH2 TRP C 602 1.242 -2.285 11.907 1.00 0.00 C ATOM 0 H TRP C 602 -1.974 0.509 10.430 1.00 0.00 H new ATOM 0 HA TRP C 602 -4.228 2.008 11.728 1.00 0.00 H new ATOM 0 HB2 TRP C 602 -2.780 2.201 13.740 1.00 0.00 H new ATOM 0 HB3 TRP C 602 -3.163 0.525 13.401 1.00 0.00 H new ATOM 0 HD1 TRP C 602 -0.286 2.985 13.462 1.00 0.00 H new ATOM 0 HE1 TRP C 602 1.955 1.768 13.080 1.00 0.00 H new ATOM 0 HE3 TRP C 602 -2.093 -1.606 12.142 1.00 0.00 H new ATOM 0 HZ2 TRP C 602 2.821 -0.874 12.302 1.00 0.00 H new ATOM 0 HZ3 TRP C 602 -0.538 -3.455 11.587 1.00 0.00 H new ATOM 0 HH2 TRP C 602 1.914 -3.094 11.663 1.00 0.00 H new ATOM 653 N ASN C 603 -2.843 4.200 11.591 1.00 0.00 N ATOM 654 CA ASN C 603 -2.169 5.452 11.147 1.00 0.00 C ATOM 655 C ASN C 603 -2.602 5.786 9.718 1.00 0.00 C ATOM 656 O ASN C 603 -1.943 6.527 9.016 1.00 0.00 O ATOM 657 CB ASN C 603 -0.650 5.256 11.188 1.00 0.00 C ATOM 658 CG ASN C 603 -0.011 6.383 12.000 1.00 0.00 C ATOM 659 OD1 ASN C 603 0.683 6.135 12.965 1.00 0.00 O ATOM 660 ND2 ASN C 603 -0.218 7.623 11.648 1.00 0.00 N ATOM 0 H ASN C 603 -3.623 4.332 12.235 1.00 0.00 H new ATOM 0 HA ASN C 603 -2.448 6.270 11.811 1.00 0.00 H new ATOM 0 HB2 ASN C 603 -0.409 4.291 11.634 1.00 0.00 H new ATOM 0 HB3 ASN C 603 -0.246 5.249 10.176 1.00 0.00 H new ATOM 0 HD21 ASN C 603 0.203 8.382 12.183 1.00 0.00 H new ATOM 0 HD22 ASN C 603 -0.801 7.833 10.838 1.00 0.00 H new ATOM 667 N ALA C 604 -3.707 5.244 9.283 1.00 0.00 N ATOM 668 CA ALA C 604 -4.183 5.530 7.901 1.00 0.00 C ATOM 669 C ALA C 604 -5.239 4.497 7.502 1.00 0.00 C ATOM 670 O ALA C 604 -5.290 3.409 8.041 1.00 0.00 O ATOM 671 CB ALA C 604 -3.004 5.455 6.928 1.00 0.00 C ATOM 0 H ALA C 604 -4.300 4.616 9.825 1.00 0.00 H new ATOM 0 HA ALA C 604 -4.619 6.529 7.867 1.00 0.00 H new ATOM 0 HB1 ALA C 604 -3.353 5.664 5.917 1.00 0.00 H new ATOM 0 HB2 ALA C 604 -2.251 6.190 7.212 1.00 0.00 H new ATOM 0 HB3 ALA C 604 -2.567 4.457 6.962 1.00 0.00 H new ATOM 677 N ALA C 605 -6.085 4.829 6.566 1.00 0.00 N ATOM 678 CA ALA C 605 -7.136 3.865 6.136 1.00 0.00 C ATOM 679 C ALA C 605 -6.910 3.481 4.673 1.00 0.00 C ATOM 680 O ALA C 605 -6.647 4.319 3.834 1.00 0.00 O ATOM 681 CB ALA C 605 -8.515 4.511 6.287 1.00 0.00 C ATOM 0 H ALA C 605 -6.094 5.726 6.081 1.00 0.00 H new ATOM 0 HA ALA C 605 -7.084 2.971 6.758 1.00 0.00 H new ATOM 0 HB1 ALA C 605 -9.284 3.805 5.972 1.00 0.00 H new ATOM 0 HB2 ALA C 605 -8.677 4.783 7.330 1.00 0.00 H new ATOM 0 HB3 ALA C 605 -8.568 5.406 5.666 1.00 0.00 H new ATOM 687 N LEU C 606 -7.012 2.218 4.360 1.00 0.00 N ATOM 688 CA LEU C 606 -6.804 1.779 2.951 1.00 0.00 C ATOM 689 C LEU C 606 -8.160 1.516 2.294 1.00 0.00 C ATOM 690 O LEU C 606 -9.185 1.505 2.946 1.00 0.00 O ATOM 691 CB LEU C 606 -5.971 0.495 2.934 1.00 0.00 C ATOM 692 CG LEU C 606 -4.512 0.820 3.269 1.00 0.00 C ATOM 693 CD1 LEU C 606 -3.923 1.729 2.185 1.00 0.00 C ATOM 694 CD2 LEU C 606 -4.444 1.536 4.622 1.00 0.00 C ATOM 0 H LEU C 606 -7.230 1.471 5.019 1.00 0.00 H new ATOM 0 HA LEU C 606 -6.279 2.560 2.401 1.00 0.00 H new ATOM 0 HB2 LEU C 606 -6.370 -0.218 3.656 1.00 0.00 H new ATOM 0 HB3 LEU C 606 -6.032 0.023 1.953 1.00 0.00 H new ATOM 0 HG LEU C 606 -3.940 -0.107 3.316 1.00 0.00 H new ATOM 0 HD11 LEU C 606 -2.885 1.958 2.427 1.00 0.00 H new ATOM 0 HD12 LEU C 606 -3.968 1.222 1.221 1.00 0.00 H new ATOM 0 HD13 LEU C 606 -4.497 2.654 2.135 1.00 0.00 H new ATOM 0 HD21 LEU C 606 -3.406 1.767 4.860 1.00 0.00 H new ATOM 0 HD22 LEU C 606 -5.019 2.460 4.574 1.00 0.00 H new ATOM 0 HD23 LEU C 606 -4.859 0.891 5.396 1.00 0.00 H new ATOM 706 N THR C 607 -8.173 1.303 1.006 1.00 0.00 N ATOM 707 CA THR C 607 -9.463 1.041 0.308 1.00 0.00 C ATOM 708 C THR C 607 -9.379 -0.297 -0.431 1.00 0.00 C ATOM 709 O THR C 607 -8.531 -0.497 -1.277 1.00 0.00 O ATOM 710 CB THR C 607 -9.737 2.162 -0.696 1.00 0.00 C ATOM 711 OG1 THR C 607 -9.398 3.412 -0.111 1.00 0.00 O ATOM 712 CG2 THR C 607 -11.219 2.160 -1.076 1.00 0.00 C ATOM 0 H THR C 607 -7.347 1.299 0.408 1.00 0.00 H new ATOM 0 HA THR C 607 -10.271 1.003 1.039 1.00 0.00 H new ATOM 0 HB THR C 607 -9.135 2.003 -1.591 1.00 0.00 H new ATOM 0 HG1 THR C 607 -9.571 4.132 -0.753 1.00 0.00 H new ATOM 0 HG21 THR C 607 -11.412 2.959 -1.791 1.00 0.00 H new ATOM 0 HG22 THR C 607 -11.478 1.201 -1.525 1.00 0.00 H new ATOM 0 HG23 THR C 607 -11.824 2.318 -0.183 1.00 0.00 H new ATOM 720 N GLY C 608 -10.253 -1.214 -0.117 1.00 0.00 N ATOM 721 CA GLY C 608 -10.223 -2.538 -0.801 1.00 0.00 C ATOM 722 C GLY C 608 -9.527 -3.561 0.097 1.00 0.00 C ATOM 723 O GLY C 608 -10.078 -4.595 0.420 1.00 0.00 O ATOM 0 H GLY C 608 -10.986 -1.104 0.583 1.00 0.00 H new ATOM 0 HA2 GLY C 608 -11.238 -2.866 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY C 608 -9.697 -2.456 -1.752 1.00 0.00 H new ATOM 727 N SER C 609 -8.318 -3.283 0.503 1.00 0.00 N ATOM 728 CA SER C 609 -7.588 -4.240 1.382 1.00 0.00 C ATOM 729 C SER C 609 -7.232 -5.498 0.584 1.00 0.00 C ATOM 730 O SER C 609 -7.041 -6.562 1.138 1.00 0.00 O ATOM 731 CB SER C 609 -8.475 -4.623 2.566 1.00 0.00 C ATOM 732 OG SER C 609 -9.142 -3.464 3.048 1.00 0.00 O ATOM 0 H SER C 609 -7.804 -2.435 0.264 1.00 0.00 H new ATOM 0 HA SER C 609 -6.675 -3.771 1.748 1.00 0.00 H new ATOM 0 HB2 SER C 609 -9.203 -5.375 2.262 1.00 0.00 H new ATOM 0 HB3 SER C 609 -7.872 -5.066 3.359 1.00 0.00 H new ATOM 0 HG SER C 609 -9.713 -3.707 3.806 1.00 0.00 H new ATOM 738 N SER C 610 -7.141 -5.384 -0.713 1.00 0.00 N ATOM 739 CA SER C 610 -6.796 -6.573 -1.542 1.00 0.00 C ATOM 740 C SER C 610 -6.554 -6.136 -2.987 1.00 0.00 C ATOM 741 O SER C 610 -7.120 -5.169 -3.456 1.00 0.00 O ATOM 742 CB SER C 610 -7.950 -7.576 -1.499 1.00 0.00 C ATOM 743 OG SER C 610 -9.180 -6.883 -1.667 1.00 0.00 O ATOM 0 H SER C 610 -7.291 -4.520 -1.234 1.00 0.00 H new ATOM 0 HA SER C 610 -5.893 -7.040 -1.149 1.00 0.00 H new ATOM 0 HB2 SER C 610 -7.829 -8.321 -2.285 1.00 0.00 H new ATOM 0 HB3 SER C 610 -7.947 -8.111 -0.549 1.00 0.00 H new ATOM 0 HG SER C 610 -9.922 -7.523 -1.642 1.00 0.00 H new ATOM 749 N GLY C 611 -5.715 -6.840 -3.697 1.00 0.00 N ATOM 750 CA GLY C 611 -5.437 -6.466 -5.112 1.00 0.00 C ATOM 751 C GLY C 611 -5.019 -4.996 -5.180 1.00 0.00 C ATOM 752 O GLY C 611 -4.031 -4.594 -4.597 1.00 0.00 O ATOM 0 H GLY C 611 -5.210 -7.659 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY C 611 -4.647 -7.098 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY C 611 -6.324 -6.631 -5.724 1.00 0.00 H new ATOM 756 N THR C 612 -5.762 -4.190 -5.888 1.00 0.00 N ATOM 757 CA THR C 612 -5.406 -2.747 -5.993 1.00 0.00 C ATOM 758 C THR C 612 -6.008 -1.985 -4.812 1.00 0.00 C ATOM 759 O THR C 612 -7.205 -1.783 -4.736 1.00 0.00 O ATOM 760 CB THR C 612 -5.961 -2.180 -7.302 1.00 0.00 C ATOM 761 OG1 THR C 612 -5.331 -2.822 -8.401 1.00 0.00 O ATOM 762 CG2 THR C 612 -5.690 -0.675 -7.364 1.00 0.00 C ATOM 0 H THR C 612 -6.600 -4.469 -6.398 1.00 0.00 H new ATOM 0 HA THR C 612 -4.322 -2.638 -5.980 1.00 0.00 H new ATOM 0 HB THR C 612 -7.036 -2.356 -7.347 1.00 0.00 H new ATOM 0 HG1 THR C 612 -5.687 -2.460 -9.239 1.00 0.00 H new ATOM 0 HG21 THR C 612 -6.086 -0.272 -8.296 1.00 0.00 H new ATOM 0 HG22 THR C 612 -6.175 -0.183 -6.521 1.00 0.00 H new ATOM 0 HG23 THR C 612 -4.616 -0.497 -7.319 1.00 0.00 H new ATOM 770 N VAL C 613 -5.190 -1.561 -3.888 1.00 0.00 N ATOM 771 CA VAL C 613 -5.710 -0.815 -2.716 1.00 0.00 C ATOM 772 C VAL C 613 -5.434 0.681 -2.917 1.00 0.00 C ATOM 773 O VAL C 613 -4.645 1.069 -3.756 1.00 0.00 O ATOM 774 CB VAL C 613 -5.006 -1.342 -1.456 1.00 0.00 C ATOM 775 CG1 VAL C 613 -4.877 -0.234 -0.412 1.00 0.00 C ATOM 776 CG2 VAL C 613 -5.820 -2.496 -0.869 1.00 0.00 C ATOM 0 H VAL C 613 -4.180 -1.702 -3.898 1.00 0.00 H new ATOM 0 HA VAL C 613 -6.785 -0.955 -2.606 1.00 0.00 H new ATOM 0 HB VAL C 613 -4.009 -1.687 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL C 613 -4.376 -0.625 0.474 1.00 0.00 H new ATOM 0 HG12 VAL C 613 -4.294 0.589 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL C 613 -5.869 0.126 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL C 613 -5.324 -2.873 0.025 1.00 0.00 H new ATOM 0 HG22 VAL C 613 -6.818 -2.142 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL C 613 -5.899 -3.296 -1.605 1.00 0.00 H new ATOM 786 N THR C 614 -6.079 1.521 -2.156 1.00 0.00 N ATOM 787 CA THR C 614 -5.856 2.987 -2.308 1.00 0.00 C ATOM 788 C THR C 614 -5.582 3.607 -0.936 1.00 0.00 C ATOM 789 O THR C 614 -6.112 3.174 0.068 1.00 0.00 O ATOM 790 CB THR C 614 -7.103 3.629 -2.918 1.00 0.00 C ATOM 791 OG1 THR C 614 -7.542 2.850 -4.023 1.00 0.00 O ATOM 792 CG2 THR C 614 -6.772 5.045 -3.389 1.00 0.00 C ATOM 0 H THR C 614 -6.751 1.256 -1.436 1.00 0.00 H new ATOM 0 HA THR C 614 -5.000 3.160 -2.961 1.00 0.00 H new ATOM 0 HB THR C 614 -7.893 3.674 -2.168 1.00 0.00 H new ATOM 0 HG1 THR C 614 -8.342 3.259 -4.414 1.00 0.00 H new ATOM 0 HG21 THR C 614 -7.662 5.501 -3.823 1.00 0.00 H new ATOM 0 HG22 THR C 614 -6.436 5.641 -2.541 1.00 0.00 H new ATOM 0 HG23 THR C 614 -5.982 5.004 -4.139 1.00 0.00 H new ATOM 800 N ALA C 615 -4.761 4.622 -0.882 1.00 0.00 N ATOM 801 CA ALA C 615 -4.461 5.266 0.429 1.00 0.00 C ATOM 802 C ALA C 615 -5.604 6.209 0.807 1.00 0.00 C ATOM 803 O ALA C 615 -6.352 6.663 -0.036 1.00 0.00 O ATOM 804 CB ALA C 615 -3.159 6.064 0.327 1.00 0.00 C ATOM 0 H ALA C 615 -4.287 5.032 -1.687 1.00 0.00 H new ATOM 0 HA ALA C 615 -4.354 4.495 1.192 1.00 0.00 H new ATOM 0 HB1 ALA C 615 -2.944 6.533 1.287 1.00 0.00 H new ATOM 0 HB2 ALA C 615 -2.342 5.394 0.059 1.00 0.00 H new ATOM 0 HB3 ALA C 615 -3.263 6.834 -0.438 1.00 0.00 H new ATOM 810 N ARG C 616 -5.745 6.508 2.069 1.00 0.00 N ATOM 811 CA ARG C 616 -6.840 7.423 2.502 1.00 0.00 C ATOM 812 C ARG C 616 -6.505 8.001 3.880 1.00 0.00 C ATOM 813 O ARG C 616 -6.959 7.499 4.889 1.00 0.00 O ATOM 814 CB ARG C 616 -8.154 6.643 2.581 1.00 0.00 C ATOM 815 CG ARG C 616 -9.326 7.588 2.312 1.00 0.00 C ATOM 816 CD ARG C 616 -10.026 7.922 3.631 1.00 0.00 C ATOM 817 NE ARG C 616 -11.494 7.714 3.480 1.00 0.00 N ATOM 818 CZ ARG C 616 -12.330 8.616 3.916 1.00 0.00 C ATOM 819 NH1 ARG C 616 -12.066 9.884 3.751 1.00 0.00 N ATOM 820 NH2 ARG C 616 -13.429 8.252 4.518 1.00 0.00 N ATOM 0 H ARG C 616 -5.149 6.158 2.820 1.00 0.00 H new ATOM 0 HA ARG C 616 -6.943 8.235 1.782 1.00 0.00 H new ATOM 0 HB2 ARG C 616 -8.152 5.832 1.852 1.00 0.00 H new ATOM 0 HB3 ARG C 616 -8.260 6.187 3.565 1.00 0.00 H new ATOM 0 HG2 ARG C 616 -8.969 8.501 1.836 1.00 0.00 H new ATOM 0 HG3 ARG C 616 -10.030 7.124 1.622 1.00 0.00 H new ATOM 0 HD2 ARG C 616 -9.639 7.291 4.431 1.00 0.00 H new ATOM 0 HD3 ARG C 616 -9.821 8.955 3.913 1.00 0.00 H new ATOM 0 HE ARG C 616 -11.845 6.866 3.035 1.00 0.00 H new ATOM 0 HH11 ARG C 616 -11.207 10.169 3.281 1.00 0.00 H new ATOM 0 HH12 ARG C 616 -12.719 10.589 4.092 1.00 0.00 H new ATOM 0 HH21 ARG C 616 -13.635 7.262 4.648 1.00 0.00 H new ATOM 0 HH22 ARG C 616 -14.082 8.958 4.858 1.00 0.00 H new ATOM 834 N PRO C 617 -5.714 9.044 3.878 1.00 0.00 N ATOM 835 CA PRO C 617 -5.290 9.724 5.115 1.00 0.00 C ATOM 836 C PRO C 617 -6.413 10.621 5.645 1.00 0.00 C ATOM 837 O PRO C 617 -7.133 11.242 4.889 1.00 0.00 O ATOM 838 CB PRO C 617 -4.087 10.560 4.670 1.00 0.00 C ATOM 839 CG PRO C 617 -4.234 10.759 3.143 1.00 0.00 C ATOM 840 CD PRO C 617 -5.170 9.644 2.641 1.00 0.00 C ATOM 0 HA PRO C 617 -5.048 9.033 5.923 1.00 0.00 H new ATOM 0 HB2 PRO C 617 -4.069 11.520 5.187 1.00 0.00 H new ATOM 0 HB3 PRO C 617 -3.152 10.052 4.907 1.00 0.00 H new ATOM 0 HG2 PRO C 617 -4.648 11.742 2.919 1.00 0.00 H new ATOM 0 HG3 PRO C 617 -3.264 10.701 2.650 1.00 0.00 H new ATOM 0 HD2 PRO C 617 -5.964 10.044 2.010 1.00 0.00 H new ATOM 0 HD3 PRO C 617 -4.630 8.908 2.046 1.00 0.00 H new ATOM 848 N ASN C 618 -6.566 10.693 6.939 1.00 0.00 N ATOM 849 CA ASN C 618 -7.639 11.550 7.515 1.00 0.00 C ATOM 850 C ASN C 618 -7.008 12.738 8.244 1.00 0.00 C ATOM 851 O ASN C 618 -7.665 13.715 8.544 1.00 0.00 O ATOM 852 CB ASN C 618 -8.471 10.730 8.503 1.00 0.00 C ATOM 853 CG ASN C 618 -7.571 10.220 9.630 1.00 0.00 C ATOM 854 OD1 ASN C 618 -6.378 10.449 9.620 1.00 0.00 O ATOM 855 ND2 ASN C 618 -8.095 9.534 10.608 1.00 0.00 N ATOM 0 H ASN C 618 -5.994 10.195 7.622 1.00 0.00 H new ATOM 0 HA ASN C 618 -8.281 11.915 6.713 1.00 0.00 H new ATOM 0 HB2 ASN C 618 -9.274 11.342 8.914 1.00 0.00 H new ATOM 0 HB3 ASN C 618 -8.940 9.890 7.990 1.00 0.00 H new ATOM 0 HD21 ASN C 618 -7.503 9.190 11.364 1.00 0.00 H new ATOM 0 HD22 ASN C 618 -9.097 9.342 10.617 1.00 0.00 H new ATOM 862 N GLY C 619 -5.738 12.663 8.532 1.00 0.00 N ATOM 863 CA GLY C 619 -5.066 13.788 9.241 1.00 0.00 C ATOM 864 C GLY C 619 -3.609 13.884 8.783 1.00 0.00 C ATOM 865 O GLY C 619 -2.701 13.973 9.586 1.00 0.00 O ATOM 0 H GLY C 619 -5.136 11.871 8.307 1.00 0.00 H new ATOM 0 HA2 GLY C 619 -5.585 14.724 9.034 1.00 0.00 H new ATOM 0 HA3 GLY C 619 -5.110 13.630 10.319 1.00 0.00 H new ATOM 869 N SER C 620 -3.378 13.870 7.499 1.00 0.00 N ATOM 870 CA SER C 620 -1.979 13.960 6.992 1.00 0.00 C ATOM 871 C SER C 620 -1.187 12.737 7.461 1.00 0.00 C ATOM 872 O SER C 620 -0.048 12.844 7.869 1.00 0.00 O ATOM 873 CB SER C 620 -1.324 15.230 7.534 1.00 0.00 C ATOM 874 OG SER C 620 -2.322 16.068 8.104 1.00 0.00 O ATOM 0 H SER C 620 -4.097 13.800 6.779 1.00 0.00 H new ATOM 0 HA SER C 620 -1.987 13.991 5.902 1.00 0.00 H new ATOM 0 HB2 SER C 620 -0.575 14.975 8.284 1.00 0.00 H new ATOM 0 HB3 SER C 620 -0.806 15.756 6.732 1.00 0.00 H new ATOM 0 HG SER C 620 -1.904 16.883 8.454 1.00 0.00 H new ATOM 880 N GLY C 621 -1.781 11.577 7.404 1.00 0.00 N ATOM 881 CA GLY C 621 -1.062 10.349 7.846 1.00 0.00 C ATOM 882 C GLY C 621 -0.158 9.851 6.716 1.00 0.00 C ATOM 883 O GLY C 621 -0.624 9.445 5.670 1.00 0.00 O ATOM 0 H GLY C 621 -2.733 11.426 7.070 1.00 0.00 H new ATOM 0 HA2 GLY C 621 -0.467 10.563 8.734 1.00 0.00 H new ATOM 0 HA3 GLY C 621 -1.778 9.575 8.121 1.00 0.00 H new ATOM 887 N ASN C 622 1.131 9.878 6.918 1.00 0.00 N ATOM 888 CA ASN C 622 2.062 9.406 5.855 1.00 0.00 C ATOM 889 C ASN C 622 2.650 8.053 6.257 1.00 0.00 C ATOM 890 O ASN C 622 2.768 7.152 5.450 1.00 0.00 O ATOM 891 CB ASN C 622 3.196 10.418 5.684 1.00 0.00 C ATOM 892 CG ASN C 622 2.660 11.674 5.000 1.00 0.00 C ATOM 893 OD1 ASN C 622 1.484 11.768 4.713 1.00 0.00 O ATOM 894 ND2 ASN C 622 3.481 12.650 4.723 1.00 0.00 N ATOM 0 H ASN C 622 1.579 10.207 7.773 1.00 0.00 H new ATOM 0 HA ASN C 622 1.518 9.304 4.916 1.00 0.00 H new ATOM 0 HB2 ASN C 622 3.620 10.673 6.655 1.00 0.00 H new ATOM 0 HB3 ASN C 622 4.000 9.983 5.090 1.00 0.00 H new ATOM 0 HD21 ASN C 622 3.135 13.493 4.265 1.00 0.00 H new ATOM 0 HD22 ASN C 622 4.469 12.570 4.965 1.00 0.00 H new ATOM 901 N SER C 623 3.024 7.905 7.498 1.00 0.00 N ATOM 902 CA SER C 623 3.607 6.612 7.952 1.00 0.00 C ATOM 903 C SER C 623 2.495 5.716 8.498 1.00 0.00 C ATOM 904 O SER C 623 1.834 6.048 9.461 1.00 0.00 O ATOM 905 CB SER C 623 4.635 6.875 9.053 1.00 0.00 C ATOM 906 OG SER C 623 5.553 7.866 8.611 1.00 0.00 O ATOM 0 H SER C 623 2.951 8.624 8.217 1.00 0.00 H new ATOM 0 HA SER C 623 4.093 6.117 7.111 1.00 0.00 H new ATOM 0 HB2 SER C 623 4.134 7.207 9.963 1.00 0.00 H new ATOM 0 HB3 SER C 623 5.165 5.955 9.299 1.00 0.00 H new ATOM 0 HG SER C 623 6.212 8.038 9.315 1.00 0.00 H new ATOM 912 N PHE C 624 2.283 4.581 7.891 1.00 0.00 N ATOM 913 CA PHE C 624 1.213 3.666 8.377 1.00 0.00 C ATOM 914 C PHE C 624 1.675 2.216 8.232 1.00 0.00 C ATOM 915 O PHE C 624 2.479 1.893 7.378 1.00 0.00 O ATOM 916 CB PHE C 624 -0.058 3.883 7.553 1.00 0.00 C ATOM 917 CG PHE C 624 0.259 3.721 6.086 1.00 0.00 C ATOM 918 CD1 PHE C 624 0.833 4.781 5.373 1.00 0.00 C ATOM 919 CD2 PHE C 624 -0.021 2.511 5.438 1.00 0.00 C ATOM 920 CE1 PHE C 624 1.127 4.631 4.013 1.00 0.00 C ATOM 921 CE2 PHE C 624 0.274 2.362 4.077 1.00 0.00 C ATOM 922 CZ PHE C 624 0.848 3.423 3.365 1.00 0.00 C ATOM 0 H PHE C 624 2.804 4.248 7.080 1.00 0.00 H new ATOM 0 HA PHE C 624 1.005 3.876 9.426 1.00 0.00 H new ATOM 0 HB2 PHE C 624 -0.824 3.168 7.852 1.00 0.00 H new ATOM 0 HB3 PHE C 624 -0.461 4.878 7.741 1.00 0.00 H new ATOM 0 HD1 PHE C 624 1.049 5.714 5.873 1.00 0.00 H new ATOM 0 HD2 PHE C 624 -0.464 1.694 5.988 1.00 0.00 H new ATOM 0 HE1 PHE C 624 1.570 5.448 3.463 1.00 0.00 H new ATOM 0 HE2 PHE C 624 0.059 1.429 3.577 1.00 0.00 H new ATOM 0 HZ PHE C 624 1.075 3.308 2.315 1.00 0.00 H new ATOM 932 N GLY C 625 1.174 1.339 9.058 1.00 0.00 N ATOM 933 CA GLY C 625 1.585 -0.089 8.968 1.00 0.00 C ATOM 934 C GLY C 625 0.424 -0.921 8.421 1.00 0.00 C ATOM 935 O GLY C 625 -0.709 -0.771 8.837 1.00 0.00 O ATOM 0 H GLY C 625 0.497 1.551 9.791 1.00 0.00 H new ATOM 0 HA2 GLY C 625 2.455 -0.188 8.318 1.00 0.00 H new ATOM 0 HA3 GLY C 625 1.878 -0.457 9.951 1.00 0.00 H new ATOM 939 N VAL C 626 0.694 -1.797 7.494 1.00 0.00 N ATOM 940 CA VAL C 626 -0.396 -2.638 6.923 1.00 0.00 C ATOM 941 C VAL C 626 -0.007 -4.113 7.026 1.00 0.00 C ATOM 942 O VAL C 626 1.101 -4.496 6.708 1.00 0.00 O ATOM 943 CB VAL C 626 -0.608 -2.266 5.454 1.00 0.00 C ATOM 944 CG1 VAL C 626 -1.831 -3.006 4.911 1.00 0.00 C ATOM 945 CG2 VAL C 626 -0.833 -0.758 5.339 1.00 0.00 C ATOM 0 H VAL C 626 1.622 -1.967 7.107 1.00 0.00 H new ATOM 0 HA VAL C 626 -1.318 -2.467 7.478 1.00 0.00 H new ATOM 0 HB VAL C 626 0.273 -2.548 4.877 1.00 0.00 H new ATOM 0 HG11 VAL C 626 -1.982 -2.741 3.865 1.00 0.00 H new ATOM 0 HG12 VAL C 626 -1.672 -4.081 4.994 1.00 0.00 H new ATOM 0 HG13 VAL C 626 -2.712 -2.724 5.487 1.00 0.00 H new ATOM 0 HG21 VAL C 626 -0.984 -0.491 4.293 1.00 0.00 H new ATOM 0 HG22 VAL C 626 -1.714 -0.476 5.916 1.00 0.00 H new ATOM 0 HG23 VAL C 626 0.038 -0.230 5.726 1.00 0.00 H new ATOM 955 N THR C 627 -0.909 -4.945 7.468 1.00 0.00 N ATOM 956 CA THR C 627 -0.588 -6.395 7.590 1.00 0.00 C ATOM 957 C THR C 627 -0.700 -7.057 6.217 1.00 0.00 C ATOM 958 O THR C 627 -1.340 -6.544 5.320 1.00 0.00 O ATOM 959 CB THR C 627 -1.570 -7.057 8.560 1.00 0.00 C ATOM 960 OG1 THR C 627 -1.380 -6.521 9.861 1.00 0.00 O ATOM 961 CG2 THR C 627 -1.324 -8.566 8.585 1.00 0.00 C ATOM 0 H THR C 627 -1.854 -4.684 7.750 1.00 0.00 H new ATOM 0 HA THR C 627 0.427 -6.512 7.968 1.00 0.00 H new ATOM 0 HB THR C 627 -2.592 -6.864 8.234 1.00 0.00 H new ATOM 0 HG1 THR C 627 -0.509 -6.074 9.907 1.00 0.00 H new ATOM 0 HG21 THR C 627 -2.023 -9.037 9.276 1.00 0.00 H new ATOM 0 HG22 THR C 627 -1.470 -8.975 7.585 1.00 0.00 H new ATOM 0 HG23 THR C 627 -0.303 -8.763 8.912 1.00 0.00 H new ATOM 969 N PHE C 628 -0.083 -8.192 6.043 1.00 0.00 N ATOM 970 CA PHE C 628 -0.154 -8.883 4.724 1.00 0.00 C ATOM 971 C PHE C 628 -0.036 -10.394 4.932 1.00 0.00 C ATOM 972 O PHE C 628 0.973 -10.890 5.395 1.00 0.00 O ATOM 973 CB PHE C 628 0.994 -8.401 3.837 1.00 0.00 C ATOM 974 CG PHE C 628 0.744 -6.970 3.420 1.00 0.00 C ATOM 975 CD1 PHE C 628 -0.153 -6.689 2.383 1.00 0.00 C ATOM 976 CD2 PHE C 628 1.412 -5.925 4.071 1.00 0.00 C ATOM 977 CE1 PHE C 628 -0.384 -5.364 1.997 1.00 0.00 C ATOM 978 CE2 PHE C 628 1.180 -4.599 3.685 1.00 0.00 C ATOM 979 CZ PHE C 628 0.282 -4.318 2.648 1.00 0.00 C ATOM 0 H PHE C 628 0.467 -8.671 6.756 1.00 0.00 H new ATOM 0 HA PHE C 628 -1.106 -8.656 4.245 1.00 0.00 H new ATOM 0 HB2 PHE C 628 1.939 -8.474 4.376 1.00 0.00 H new ATOM 0 HB3 PHE C 628 1.079 -9.038 2.956 1.00 0.00 H new ATOM 0 HD1 PHE C 628 -0.667 -7.495 1.881 1.00 0.00 H new ATOM 0 HD2 PHE C 628 2.105 -6.142 4.870 1.00 0.00 H new ATOM 0 HE1 PHE C 628 -1.076 -5.148 1.197 1.00 0.00 H new ATOM 0 HE2 PHE C 628 1.694 -3.793 4.187 1.00 0.00 H new ATOM 0 HZ PHE C 628 0.103 -3.295 2.350 1.00 0.00 H new ATOM 989 N TYR C 629 -1.056 -11.132 4.591 1.00 0.00 N ATOM 990 CA TYR C 629 -0.996 -12.610 4.766 1.00 0.00 C ATOM 991 C TYR C 629 -0.006 -13.196 3.759 1.00 0.00 C ATOM 992 O TYR C 629 0.036 -12.797 2.612 1.00 0.00 O ATOM 993 CB TYR C 629 -2.384 -13.211 4.527 1.00 0.00 C ATOM 994 CG TYR C 629 -3.250 -12.978 5.741 1.00 0.00 C ATOM 995 CD1 TYR C 629 -3.038 -13.724 6.907 1.00 0.00 C ATOM 996 CD2 TYR C 629 -4.267 -12.016 5.701 1.00 0.00 C ATOM 997 CE1 TYR C 629 -3.842 -13.508 8.032 1.00 0.00 C ATOM 998 CE2 TYR C 629 -5.072 -11.801 6.827 1.00 0.00 C ATOM 999 CZ TYR C 629 -4.859 -12.547 7.992 1.00 0.00 C ATOM 1000 OH TYR C 629 -5.651 -12.334 9.102 1.00 0.00 O ATOM 0 H TYR C 629 -1.928 -10.776 4.199 1.00 0.00 H new ATOM 0 HA TYR C 629 -0.671 -12.845 5.779 1.00 0.00 H new ATOM 0 HB2 TYR C 629 -2.842 -12.757 3.648 1.00 0.00 H new ATOM 0 HB3 TYR C 629 -2.300 -14.279 4.327 1.00 0.00 H new ATOM 0 HD1 TYR C 629 -2.254 -14.466 6.938 1.00 0.00 H new ATOM 0 HD2 TYR C 629 -4.431 -11.440 4.802 1.00 0.00 H new ATOM 0 HE1 TYR C 629 -3.678 -14.083 8.931 1.00 0.00 H new ATOM 0 HE2 TYR C 629 -5.857 -11.060 6.796 1.00 0.00 H new ATOM 0 HH TYR C 629 -5.136 -12.527 9.913 1.00 0.00 H new ATOM 1010 N LYS C 630 0.795 -14.138 4.177 1.00 0.00 N ATOM 1011 CA LYS C 630 1.781 -14.743 3.243 1.00 0.00 C ATOM 1012 C LYS C 630 1.205 -16.054 2.689 1.00 0.00 C ATOM 1013 O LYS C 630 0.962 -16.182 1.505 1.00 0.00 O ATOM 1014 CB LYS C 630 3.104 -14.977 4.003 1.00 0.00 C ATOM 1015 CG LYS C 630 3.638 -16.396 3.776 1.00 0.00 C ATOM 1016 CD LYS C 630 5.117 -16.455 4.161 1.00 0.00 C ATOM 1017 CE LYS C 630 5.302 -17.432 5.324 1.00 0.00 C ATOM 1018 NZ LYS C 630 6.030 -18.641 4.844 1.00 0.00 N ATOM 0 H LYS C 630 0.808 -14.513 5.125 1.00 0.00 H new ATOM 0 HA LYS C 630 1.982 -14.080 2.401 1.00 0.00 H new ATOM 0 HB2 LYS C 630 3.847 -14.250 3.674 1.00 0.00 H new ATOM 0 HB3 LYS C 630 2.947 -14.812 5.069 1.00 0.00 H new ATOM 0 HG2 LYS C 630 3.068 -17.109 4.371 1.00 0.00 H new ATOM 0 HG3 LYS C 630 3.512 -16.680 2.731 1.00 0.00 H new ATOM 0 HD2 LYS C 630 5.714 -16.773 3.306 1.00 0.00 H new ATOM 0 HD3 LYS C 630 5.470 -15.464 4.445 1.00 0.00 H new ATOM 0 HE2 LYS C 630 5.860 -16.954 6.130 1.00 0.00 H new ATOM 0 HE3 LYS C 630 4.332 -17.716 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS C 630 6.157 -19.306 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS C 630 5.481 -19.100 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS C 630 6.961 -18.362 4.474 1.00 0.00 H new ATOM 1032 N ASN C 631 0.983 -17.023 3.538 1.00 0.00 N ATOM 1033 CA ASN C 631 0.424 -18.322 3.061 1.00 0.00 C ATOM 1034 C ASN C 631 1.102 -18.720 1.748 1.00 0.00 C ATOM 1035 O ASN C 631 0.451 -18.984 0.757 1.00 0.00 O ATOM 1036 CB ASN C 631 -1.082 -18.175 2.833 1.00 0.00 C ATOM 1037 CG ASN C 631 -1.796 -18.078 4.182 1.00 0.00 C ATOM 1038 OD1 ASN C 631 -1.513 -17.093 4.988 1.00 0.00 O flip ATOM 1039 ND2 ASN C 631 -2.622 -18.910 4.506 1.00 0.00 N flip ATOM 0 H ASN C 631 1.165 -16.971 4.540 1.00 0.00 H new ATOM 0 HA ASN C 631 0.606 -19.092 3.811 1.00 0.00 H new ATOM 0 HB2 ASN C 631 -1.285 -17.285 2.237 1.00 0.00 H new ATOM 0 HB3 ASN C 631 -1.460 -19.028 2.270 1.00 0.00 H new ATOM 0 HD21 ASN C 631 -2.844 -19.681 3.876 1.00 0.00 H new ATOM 0 HD22 ASN C 631 -3.093 -18.837 5.408 1.00 0.00 H new ATOM 1046 N GLY C 632 2.407 -18.759 1.731 1.00 0.00 N ATOM 1047 CA GLY C 632 3.124 -19.134 0.480 1.00 0.00 C ATOM 1048 C GLY C 632 2.934 -18.032 -0.564 1.00 0.00 C ATOM 1049 O GLY C 632 2.727 -18.298 -1.731 1.00 0.00 O ATOM 0 H GLY C 632 3.006 -18.548 2.529 1.00 0.00 H new ATOM 0 HA2 GLY C 632 4.185 -19.277 0.685 1.00 0.00 H new ATOM 0 HA3 GLY C 632 2.742 -20.081 0.099 1.00 0.00 H new ATOM 1053 N SER C 633 3.001 -16.795 -0.152 1.00 0.00 N ATOM 1054 CA SER C 633 2.822 -15.675 -1.119 1.00 0.00 C ATOM 1055 C SER C 633 4.126 -15.446 -1.886 1.00 0.00 C ATOM 1056 O SER C 633 4.900 -16.357 -2.099 1.00 0.00 O ATOM 1057 CB SER C 633 2.445 -14.402 -0.360 1.00 0.00 C ATOM 1058 OG SER C 633 3.549 -13.985 0.433 1.00 0.00 O ATOM 0 H SER C 633 3.172 -16.512 0.813 1.00 0.00 H new ATOM 0 HA SER C 633 2.029 -15.927 -1.823 1.00 0.00 H new ATOM 0 HB2 SER C 633 2.168 -13.615 -1.061 1.00 0.00 H new ATOM 0 HB3 SER C 633 1.576 -14.585 0.273 1.00 0.00 H new ATOM 0 HG SER C 633 3.312 -13.168 0.920 1.00 0.00 H new ATOM 1064 N SER C 634 4.374 -14.234 -2.303 1.00 0.00 N ATOM 1065 CA SER C 634 5.627 -13.949 -3.057 1.00 0.00 C ATOM 1066 C SER C 634 6.263 -12.664 -2.523 1.00 0.00 C ATOM 1067 O SER C 634 6.144 -12.336 -1.360 1.00 0.00 O ATOM 1068 CB SER C 634 5.301 -13.779 -4.541 1.00 0.00 C ATOM 1069 OG SER C 634 4.024 -14.346 -4.808 1.00 0.00 O ATOM 0 H SER C 634 3.764 -13.430 -2.154 1.00 0.00 H new ATOM 0 HA SER C 634 6.324 -14.778 -2.931 1.00 0.00 H new ATOM 0 HB2 SER C 634 5.306 -12.722 -4.808 1.00 0.00 H new ATOM 0 HB3 SER C 634 6.063 -14.265 -5.151 1.00 0.00 H new ATOM 0 HG SER C 634 3.810 -14.238 -5.758 1.00 0.00 H new ATOM 1075 N ALA C 635 6.943 -11.934 -3.367 1.00 0.00 N ATOM 1076 CA ALA C 635 7.590 -10.671 -2.910 1.00 0.00 C ATOM 1077 C ALA C 635 6.577 -9.821 -2.141 1.00 0.00 C ATOM 1078 O ALA C 635 5.430 -9.704 -2.526 1.00 0.00 O ATOM 1079 CB ALA C 635 8.094 -9.889 -4.123 1.00 0.00 C ATOM 0 H ALA C 635 7.078 -12.158 -4.353 1.00 0.00 H new ATOM 0 HA ALA C 635 8.429 -10.912 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA C 635 8.567 -8.965 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA C 635 8.820 -10.492 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA C 635 7.255 -9.651 -4.777 1.00 0.00 H new ATOM 1085 N THR C 636 6.992 -9.228 -1.055 1.00 0.00 N ATOM 1086 CA THR C 636 6.063 -8.388 -0.255 1.00 0.00 C ATOM 1087 C THR C 636 5.296 -7.440 -1.184 1.00 0.00 C ATOM 1088 O THR C 636 5.560 -7.385 -2.368 1.00 0.00 O ATOM 1089 CB THR C 636 6.862 -7.567 0.761 1.00 0.00 C ATOM 1090 OG1 THR C 636 8.253 -7.733 0.518 1.00 0.00 O ATOM 1091 CG2 THR C 636 6.530 -8.039 2.177 1.00 0.00 C ATOM 0 H THR C 636 7.941 -9.291 -0.687 1.00 0.00 H new ATOM 0 HA THR C 636 5.357 -9.032 0.270 1.00 0.00 H new ATOM 0 HB THR C 636 6.600 -6.514 0.661 1.00 0.00 H new ATOM 0 HG1 THR C 636 8.764 -7.206 1.167 1.00 0.00 H new ATOM 0 HG21 THR C 636 7.100 -7.453 2.899 1.00 0.00 H new ATOM 0 HG22 THR C 636 5.464 -7.908 2.364 1.00 0.00 H new ATOM 0 HG23 THR C 636 6.789 -9.093 2.279 1.00 0.00 H new ATOM 1099 N PRO C 637 4.368 -6.715 -0.611 1.00 0.00 N ATOM 1100 CA PRO C 637 3.541 -5.749 -1.356 1.00 0.00 C ATOM 1101 C PRO C 637 4.337 -4.468 -1.618 1.00 0.00 C ATOM 1102 O PRO C 637 5.431 -4.294 -1.118 1.00 0.00 O ATOM 1103 CB PRO C 637 2.365 -5.482 -0.413 1.00 0.00 C ATOM 1104 CG PRO C 637 2.853 -5.848 1.009 1.00 0.00 C ATOM 1105 CD PRO C 637 4.059 -6.789 0.833 1.00 0.00 C ATOM 0 HA PRO C 637 3.220 -6.114 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO C 637 2.058 -4.437 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO C 637 1.499 -6.082 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO C 637 3.137 -4.953 1.563 1.00 0.00 H new ATOM 0 HG3 PRO C 637 2.061 -6.336 1.577 1.00 0.00 H new ATOM 0 HD2 PRO C 637 4.906 -6.468 1.439 1.00 0.00 H new ATOM 0 HD3 PRO C 637 3.817 -7.807 1.137 1.00 0.00 H new ATOM 1113 N GLY C 638 3.803 -3.573 -2.401 1.00 0.00 N ATOM 1114 CA GLY C 638 4.541 -2.312 -2.691 1.00 0.00 C ATOM 1115 C GLY C 638 3.555 -1.162 -2.905 1.00 0.00 C ATOM 1116 O GLY C 638 2.579 -1.289 -3.623 1.00 0.00 O ATOM 0 H GLY C 638 2.892 -3.659 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY C 638 5.212 -2.077 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY C 638 5.160 -2.440 -3.579 1.00 0.00 H new ATOM 1120 N ALA C 639 3.812 -0.036 -2.292 1.00 0.00 N ATOM 1121 CA ALA C 639 2.906 1.133 -2.461 1.00 0.00 C ATOM 1122 C ALA C 639 3.398 1.973 -3.639 1.00 0.00 C ATOM 1123 O ALA C 639 4.570 2.273 -3.755 1.00 0.00 O ATOM 1124 CB ALA C 639 2.917 1.983 -1.192 1.00 0.00 C ATOM 0 H ALA C 639 4.613 0.122 -1.681 1.00 0.00 H new ATOM 0 HA ALA C 639 1.890 0.785 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA C 639 2.252 2.837 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA C 639 2.577 1.382 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA C 639 3.930 2.337 -1.000 1.00 0.00 H new ATOM 1130 N THR C 640 2.518 2.331 -4.526 1.00 0.00 N ATOM 1131 CA THR C 640 2.938 3.126 -5.714 1.00 0.00 C ATOM 1132 C THR C 640 2.773 4.630 -5.484 1.00 0.00 C ATOM 1133 O THR C 640 1.895 5.088 -4.778 1.00 0.00 O ATOM 1134 CB THR C 640 2.080 2.740 -6.901 1.00 0.00 C ATOM 1135 OG1 THR C 640 1.852 1.338 -6.892 1.00 0.00 O ATOM 1136 CG2 THR C 640 2.782 3.141 -8.199 1.00 0.00 C ATOM 0 H THR C 640 1.524 2.108 -4.482 1.00 0.00 H new ATOM 0 HA THR C 640 3.991 2.912 -5.895 1.00 0.00 H new ATOM 0 HB THR C 640 1.124 3.259 -6.836 1.00 0.00 H new ATOM 0 HG1 THR C 640 0.895 1.163 -6.777 1.00 0.00 H new ATOM 0 HG21 THR C 640 2.161 2.861 -9.050 1.00 0.00 H new ATOM 0 HG22 THR C 640 2.944 4.219 -8.207 1.00 0.00 H new ATOM 0 HG23 THR C 640 3.742 2.629 -8.267 1.00 0.00 H new ATOM 1144 N CYS C 641 3.610 5.388 -6.131 1.00 0.00 N ATOM 1145 CA CYS C 641 3.563 6.878 -6.039 1.00 0.00 C ATOM 1146 C CYS C 641 4.313 7.486 -7.225 1.00 0.00 C ATOM 1147 O CYS C 641 5.374 8.059 -7.075 1.00 0.00 O ATOM 1148 CB CYS C 641 4.205 7.345 -4.727 1.00 0.00 C ATOM 1149 SG CYS C 641 2.919 7.576 -3.484 1.00 0.00 S ATOM 0 H CYS C 641 4.347 5.029 -6.738 1.00 0.00 H new ATOM 0 HA CYS C 641 2.523 7.205 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS C 641 4.932 6.610 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS C 641 4.746 8.278 -4.885 1.00 0.00 H new ATOM 1154 N ALA C 642 3.768 7.367 -8.405 1.00 0.00 N ATOM 1155 CA ALA C 642 4.447 7.938 -9.602 1.00 0.00 C ATOM 1156 C ALA C 642 3.415 8.202 -10.696 1.00 0.00 C ATOM 1157 O ALA C 642 2.309 7.702 -10.654 1.00 0.00 O ATOM 1158 CB ALA C 642 5.484 6.942 -10.126 1.00 0.00 C ATOM 0 H ALA C 642 2.881 6.899 -8.592 1.00 0.00 H new ATOM 0 HA ALA C 642 4.939 8.871 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA C 642 5.980 7.360 -11.002 1.00 0.00 H new ATOM 0 HB2 ALA C 642 6.223 6.744 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA C 642 4.988 6.011 -10.400 1.00 0.00 H new ATOM 1164 N THR C 643 3.768 8.979 -11.682 1.00 0.00 N ATOM 1165 CA THR C 643 2.807 9.263 -12.781 1.00 0.00 C ATOM 1166 C THR C 643 3.334 8.664 -14.084 1.00 0.00 C ATOM 1167 O THR C 643 4.255 9.176 -14.689 1.00 0.00 O ATOM 1168 CB THR C 643 2.639 10.770 -12.950 1.00 0.00 C ATOM 1169 OG1 THR C 643 3.862 11.335 -13.403 1.00 0.00 O ATOM 1170 CG2 THR C 643 2.249 11.398 -11.611 1.00 0.00 C ATOM 0 H THR C 643 4.679 9.428 -11.773 1.00 0.00 H new ATOM 0 HA THR C 643 1.842 8.820 -12.535 1.00 0.00 H new ATOM 0 HB THR C 643 1.855 10.967 -13.681 1.00 0.00 H new ATOM 0 HG1 THR C 643 4.460 10.620 -13.707 1.00 0.00 H new ATOM 0 HG21 THR C 643 2.130 12.474 -11.735 1.00 0.00 H new ATOM 0 HG22 THR C 643 1.309 10.966 -11.266 1.00 0.00 H new ATOM 0 HG23 THR C 643 3.030 11.202 -10.876 1.00 0.00 H new ATOM 1178 N GLY C 644 2.755 7.583 -14.515 1.00 0.00 N ATOM 1179 CA GLY C 644 3.214 6.940 -15.780 1.00 0.00 C ATOM 1180 C GLY C 644 2.019 6.734 -16.711 1.00 0.00 C ATOM 1181 O GLY C 644 1.853 5.626 -17.193 1.00 0.00 O ATOM 1182 OXT GLY C 644 1.290 7.688 -16.928 1.00 0.00 O ATOM 0 H GLY C 644 1.981 7.113 -14.047 1.00 0.00 H new ATOM 0 HA2 GLY C 644 3.964 7.564 -16.266 1.00 0.00 H new ATOM 0 HA3 GLY C 644 3.688 5.983 -15.563 1.00 0.00 H new TER 1186 GLY C 644