USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 579 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 572 THR OG1 : rot -48:sc= 2.14 USER MOD Set 1.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 575 SER OG : rot 57:sc= 1.27 USER MOD Set 2.1: A 568 SER OG : rot -110:sc= 0.182 USER MOD Set 2.2: A 571 GLN : amide:sc= -0.594 K(o=-0.41,f=-1.6!) USER MOD Set 3.1: A 561 THR OG1 : rot 125:sc= 0.056 USER MOD Set 3.2: A 583 SER OG : rot 101:sc= 0.243 USER MOD Single : A 564 THR OG1 : rot 180:sc=-0.000679 USER MOD Single : A 565 ASN : amide:sc= -0.0393 K(o=-0.039,f=-0.98) USER MOD Single : A 569 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 66:sc= -1.82! USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.151 K(o=-0.15,f=-4.6!) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 0:sc= 0.307 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.5) USER MOD Single : A 598 THR OG1 : rot -22:sc= 0.784 USER MOD Single : A 602 THR OG1 : rot 162:sc= 0.908 USER MOD Single : A 603 THR OG1 : rot -58:sc= 1.26 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 618 THR OG1 : rot 62:sc= 0.636 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 150:sc= 0.0133 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ 174:sc= -1.17 (180deg=-1.3) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.9!) USER MOD Single : A 634 SER OG : rot 101:sc= 0.588 USER MOD Single : A 637 SER OG : rot 42:sc= -1.28 USER MOD Single : A 638 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.0014) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 130:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.066 4.509 3.106 1.00 0.00 N ATOM 39 CA ALA A 559 -15.648 4.176 3.057 1.00 0.00 C ATOM 40 C ALA A 559 -15.446 2.666 2.948 1.00 0.00 C ATOM 41 O ALA A 559 -16.232 1.888 3.490 1.00 0.00 O ATOM 42 CB ALA A 559 -14.937 4.718 4.288 1.00 0.00 C ATOM 0 HA ALA A 559 -15.218 4.641 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.879 4.462 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.047 5.802 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.375 4.279 5.184 1.00 0.00 H new ATOM 48 N PRO A 560 -14.387 2.229 2.241 1.00 0.00 N ATOM 49 CA PRO A 560 -14.090 0.805 2.064 1.00 0.00 C ATOM 50 C PRO A 560 -13.492 0.179 3.319 1.00 0.00 C ATOM 51 O PRO A 560 -13.641 0.708 4.421 1.00 0.00 O ATOM 52 CB PRO A 560 -13.068 0.806 0.930 1.00 0.00 C ATOM 53 CG PRO A 560 -12.361 2.108 1.073 1.00 0.00 C ATOM 54 CD PRO A 560 -13.397 3.087 1.558 1.00 0.00 C ATOM 0 HA PRO A 560 -14.985 0.220 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.378 -0.033 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.553 0.721 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.536 2.029 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -11.935 2.428 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -12.967 3.823 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -13.846 3.639 0.732 1.00 0.00 H new ATOM 62 N THR A 561 -12.811 -0.949 3.143 1.00 0.00 N ATOM 63 CA THR A 561 -12.185 -1.648 4.259 1.00 0.00 C ATOM 64 C THR A 561 -10.665 -1.599 4.149 1.00 0.00 C ATOM 65 O THR A 561 -10.090 -2.010 3.140 1.00 0.00 O ATOM 66 CB THR A 561 -12.643 -3.116 4.331 1.00 0.00 C ATOM 67 OG1 THR A 561 -12.698 -3.679 3.015 1.00 0.00 O ATOM 68 CG2 THR A 561 -14.010 -3.224 4.989 1.00 0.00 C ATOM 0 H THR A 561 -12.679 -1.399 2.237 1.00 0.00 H new ATOM 0 HA THR A 561 -12.496 -1.138 5.171 1.00 0.00 H new ATOM 0 HB THR A 561 -11.921 -3.668 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 561 -12.149 -4.490 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 561 -14.313 -4.270 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 561 -13.959 -2.822 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.739 -2.657 4.409 1.00 0.00 H new ATOM 76 N ALA A 562 -10.022 -1.083 5.190 1.00 0.00 N ATOM 77 CA ALA A 562 -8.568 -0.964 5.222 1.00 0.00 C ATOM 78 C ALA A 562 -7.886 -2.324 5.070 1.00 0.00 C ATOM 79 O ALA A 562 -8.249 -3.286 5.748 1.00 0.00 O ATOM 80 CB ALA A 562 -8.129 -0.301 6.519 1.00 0.00 C ATOM 0 H ALA A 562 -10.488 -0.738 6.029 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.265 -0.345 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.042 -0.216 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.572 0.693 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.458 -0.904 7.365 1.00 0.00 H new ATOM 86 N PRO A 563 -6.878 -2.416 4.178 1.00 0.00 N ATOM 87 CA PRO A 563 -6.126 -3.659 3.940 1.00 0.00 C ATOM 88 C PRO A 563 -5.630 -4.296 5.235 1.00 0.00 C ATOM 89 O PRO A 563 -5.812 -3.743 6.321 1.00 0.00 O ATOM 90 CB PRO A 563 -4.935 -3.192 3.099 1.00 0.00 C ATOM 91 CG PRO A 563 -5.416 -1.969 2.401 1.00 0.00 C ATOM 92 CD PRO A 563 -6.391 -1.306 3.336 1.00 0.00 C ATOM 0 HA PRO A 563 -6.742 -4.420 3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.070 -2.975 3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.629 -3.959 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.586 -1.302 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.895 -2.224 1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -5.910 -0.532 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.206 -0.829 2.792 1.00 0.00 H new ATOM 100 N THR A 564 -4.995 -5.457 5.118 1.00 0.00 N ATOM 101 CA THR A 564 -4.474 -6.155 6.287 1.00 0.00 C ATOM 102 C THR A 564 -3.324 -7.085 5.919 1.00 0.00 C ATOM 103 O THR A 564 -3.281 -7.634 4.818 1.00 0.00 O ATOM 104 CB THR A 564 -5.572 -6.973 6.987 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.012 -7.721 8.074 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.242 -7.919 6.006 1.00 0.00 C ATOM 0 H THR A 564 -4.829 -5.932 4.231 1.00 0.00 H new ATOM 0 HA THR A 564 -4.107 -5.387 6.968 1.00 0.00 H new ATOM 0 HB THR A 564 -6.321 -6.282 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.719 -8.237 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.016 -8.489 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.692 -7.345 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.500 -8.604 5.596 1.00 0.00 H new ATOM 114 N ASN A 565 -2.397 -7.259 6.857 1.00 0.00 N ATOM 115 CA ASN A 565 -1.241 -8.127 6.656 1.00 0.00 C ATOM 116 C ASN A 565 -0.434 -7.715 5.427 1.00 0.00 C ATOM 117 O ASN A 565 -0.381 -8.447 4.437 1.00 0.00 O ATOM 118 CB ASN A 565 -1.687 -9.583 6.521 1.00 0.00 C ATOM 119 CG ASN A 565 -1.845 -10.273 7.863 1.00 0.00 C ATOM 120 OD1 ASN A 565 -1.828 -9.628 8.913 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.998 -11.591 7.837 1.00 0.00 N ATOM 0 H ASN A 565 -2.425 -6.806 7.771 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.598 -8.025 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.635 -9.620 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -0.959 -10.128 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -2.107 -12.109 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.006 -12.086 6.945 1.00 0.00 H new ATOM 128 N LEU A 566 0.208 -6.551 5.496 1.00 0.00 N ATOM 129 CA LEU A 566 1.023 -6.071 4.386 1.00 0.00 C ATOM 130 C LEU A 566 2.354 -6.814 4.355 1.00 0.00 C ATOM 131 O LEU A 566 2.772 -7.392 5.359 1.00 0.00 O ATOM 132 CB LEU A 566 1.264 -4.562 4.494 1.00 0.00 C ATOM 133 CG LEU A 566 2.224 -3.985 3.448 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.613 -4.054 2.055 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.596 -2.555 3.798 1.00 0.00 C ATOM 0 H LEU A 566 0.180 -5.928 6.303 1.00 0.00 H new ATOM 0 HA LEU A 566 0.484 -6.264 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.306 -4.049 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.656 -4.342 5.487 1.00 0.00 H new ATOM 0 HG LEU A 566 3.132 -4.588 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.313 -3.639 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.401 -5.093 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.687 -3.480 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.278 -2.162 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.695 -1.942 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.082 -2.534 4.774 1.00 0.00 H new ATOM 147 N ALA A 567 3.016 -6.800 3.204 1.00 0.00 N ATOM 148 CA ALA A 567 4.296 -7.480 3.060 1.00 0.00 C ATOM 149 C ALA A 567 5.076 -6.957 1.861 1.00 0.00 C ATOM 150 O ALA A 567 4.613 -6.072 1.142 1.00 0.00 O ATOM 151 CB ALA A 567 4.083 -8.980 2.937 1.00 0.00 C ATOM 0 H ALA A 567 2.689 -6.328 2.361 1.00 0.00 H new ATOM 0 HA ALA A 567 4.885 -7.275 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.047 -9.477 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.581 -9.351 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.468 -9.190 2.062 1.00 0.00 H new ATOM 157 N SER A 568 6.262 -7.520 1.650 1.00 0.00 N ATOM 158 CA SER A 568 7.116 -7.124 0.537 1.00 0.00 C ATOM 159 C SER A 568 7.834 -8.339 -0.043 1.00 0.00 C ATOM 160 O SER A 568 8.433 -9.126 0.691 1.00 0.00 O ATOM 161 CB SER A 568 8.138 -6.083 0.995 1.00 0.00 C ATOM 162 OG SER A 568 8.974 -6.602 2.014 1.00 0.00 O ATOM 0 H SER A 568 6.654 -8.255 2.239 1.00 0.00 H new ATOM 0 HA SER A 568 6.488 -6.685 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.746 -5.768 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.620 -5.197 1.362 1.00 0.00 H new ATOM 0 HG SER A 568 8.765 -6.162 2.864 1.00 0.00 H new ATOM 168 N THR A 569 7.767 -8.490 -1.362 1.00 0.00 N ATOM 169 CA THR A 569 8.408 -9.615 -2.035 1.00 0.00 C ATOM 170 C THR A 569 9.735 -9.203 -2.668 1.00 0.00 C ATOM 171 O THR A 569 10.801 -9.419 -2.090 1.00 0.00 O ATOM 172 CB THR A 569 7.495 -10.212 -3.122 1.00 0.00 C ATOM 173 OG1 THR A 569 6.805 -9.163 -3.813 1.00 0.00 O ATOM 174 CG2 THR A 569 6.486 -11.172 -2.511 1.00 0.00 C ATOM 0 H THR A 569 7.276 -7.849 -1.985 1.00 0.00 H new ATOM 0 HA THR A 569 8.597 -10.371 -1.272 1.00 0.00 H new ATOM 0 HB THR A 569 8.117 -10.763 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.228 -9.551 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.852 -11.582 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.013 -11.984 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.869 -10.639 -1.787 1.00 0.00 H new ATOM 182 N ALA A 570 9.664 -8.614 -3.858 1.00 0.00 N ATOM 183 CA ALA A 570 10.861 -8.178 -4.569 1.00 0.00 C ATOM 184 C ALA A 570 11.283 -6.779 -4.134 1.00 0.00 C ATOM 185 O ALA A 570 10.756 -5.780 -4.625 1.00 0.00 O ATOM 186 CB ALA A 570 10.625 -8.218 -6.071 1.00 0.00 C ATOM 0 H ALA A 570 8.790 -8.428 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 570 11.670 -8.864 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.526 -7.890 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.382 -9.236 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.798 -7.556 -6.327 1.00 0.00 H new ATOM 192 N GLN A 571 12.235 -6.714 -3.209 1.00 0.00 N ATOM 193 CA GLN A 571 12.729 -5.437 -2.707 1.00 0.00 C ATOM 194 C GLN A 571 14.118 -5.136 -3.260 1.00 0.00 C ATOM 195 O GLN A 571 15.124 -5.614 -2.736 1.00 0.00 O ATOM 196 CB GLN A 571 12.769 -5.447 -1.178 1.00 0.00 C ATOM 197 CG GLN A 571 11.598 -6.181 -0.547 1.00 0.00 C ATOM 198 CD GLN A 571 12.030 -7.415 0.223 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.219 -7.721 0.314 1.00 0.00 O ATOM 200 NE2 GLN A 571 11.062 -8.134 0.779 1.00 0.00 N ATOM 0 H GLN A 571 12.680 -7.531 -2.792 1.00 0.00 H new ATOM 0 HA GLN A 571 12.046 -4.656 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.699 -5.912 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.781 -4.419 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 571 11.069 -5.505 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 571 10.893 -6.472 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 571 10.089 -7.844 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 571 11.291 -8.976 1.306 1.00 0.00 H new ATOM 209 N THR A 572 14.163 -4.339 -4.322 1.00 0.00 N ATOM 210 CA THR A 572 15.425 -3.970 -4.947 1.00 0.00 C ATOM 211 C THR A 572 16.062 -2.781 -4.231 1.00 0.00 C ATOM 212 O THR A 572 15.872 -2.598 -3.027 1.00 0.00 O ATOM 213 CB THR A 572 15.236 -3.630 -6.439 1.00 0.00 C ATOM 214 OG1 THR A 572 14.655 -2.329 -6.577 1.00 0.00 O ATOM 215 CG2 THR A 572 14.350 -4.661 -7.122 1.00 0.00 C ATOM 0 H THR A 572 13.338 -3.936 -4.767 1.00 0.00 H new ATOM 0 HA THR A 572 16.087 -4.832 -4.867 1.00 0.00 H new ATOM 0 HB THR A 572 16.216 -3.642 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 572 13.888 -2.248 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.232 -4.399 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 572 14.810 -5.646 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.373 -4.677 -6.640 1.00 0.00 H new ATOM 223 N THR A 573 16.824 -1.979 -4.969 1.00 0.00 N ATOM 224 CA THR A 573 17.492 -0.816 -4.397 1.00 0.00 C ATOM 225 C THR A 573 16.682 0.458 -4.612 1.00 0.00 C ATOM 226 O THR A 573 16.525 1.266 -3.696 1.00 0.00 O ATOM 227 CB THR A 573 18.893 -0.626 -5.004 1.00 0.00 C ATOM 228 OG1 THR A 573 18.810 -0.607 -6.434 1.00 0.00 O ATOM 229 CG2 THR A 573 19.828 -1.742 -4.562 1.00 0.00 C ATOM 0 H THR A 573 16.994 -2.114 -5.966 1.00 0.00 H new ATOM 0 HA THR A 573 17.583 -1.002 -3.327 1.00 0.00 H new ATOM 0 HB THR A 573 19.292 0.325 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 573 19.706 -0.484 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 573 20.813 -1.588 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.912 -1.737 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.430 -2.702 -4.891 1.00 0.00 H new ATOM 237 N SER A 574 16.179 0.640 -5.830 1.00 0.00 N ATOM 238 CA SER A 574 15.398 1.828 -6.164 1.00 0.00 C ATOM 239 C SER A 574 13.915 1.500 -6.324 1.00 0.00 C ATOM 240 O SER A 574 13.096 2.393 -6.539 1.00 0.00 O ATOM 241 CB SER A 574 15.931 2.461 -7.449 1.00 0.00 C ATOM 242 OG SER A 574 15.792 1.579 -8.549 1.00 0.00 O ATOM 0 H SER A 574 16.298 -0.018 -6.600 1.00 0.00 H new ATOM 0 HA SER A 574 15.499 2.534 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.393 3.387 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.981 2.724 -7.320 1.00 0.00 H new ATOM 0 HG SER A 574 16.139 2.009 -9.359 1.00 0.00 H new ATOM 248 N SER A 575 13.574 0.219 -6.218 1.00 0.00 N ATOM 249 CA SER A 575 12.186 -0.213 -6.354 1.00 0.00 C ATOM 250 C SER A 575 11.845 -1.297 -5.336 1.00 0.00 C ATOM 251 O SER A 575 12.735 -1.907 -4.744 1.00 0.00 O ATOM 252 CB SER A 575 11.924 -0.728 -7.771 1.00 0.00 C ATOM 253 OG SER A 575 13.130 -1.131 -8.399 1.00 0.00 O ATOM 0 H SER A 575 14.237 -0.536 -6.039 1.00 0.00 H new ATOM 0 HA SER A 575 11.547 0.650 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.231 -1.569 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.446 0.053 -8.362 1.00 0.00 H new ATOM 0 HG SER A 575 13.575 -1.808 -7.848 1.00 0.00 H new ATOM 259 N ILE A 576 10.550 -1.527 -5.136 1.00 0.00 N ATOM 260 CA ILE A 576 10.093 -2.535 -4.186 1.00 0.00 C ATOM 261 C ILE A 576 8.700 -3.047 -4.547 1.00 0.00 C ATOM 262 O ILE A 576 7.882 -2.312 -5.103 1.00 0.00 O ATOM 263 CB ILE A 576 10.072 -1.975 -2.749 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.769 -3.090 -1.744 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.047 -0.855 -2.632 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.898 -2.654 -0.300 1.00 0.00 C ATOM 0 H ILE A 576 9.801 -1.030 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 576 10.799 -3.364 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 576 11.057 -1.567 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.757 -3.457 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.446 -3.925 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.044 -0.470 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.305 -0.052 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.057 -1.240 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.669 -3.494 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.916 -2.314 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.201 -1.839 -0.102 1.00 0.00 H new ATOM 278 N THR A 577 8.438 -4.309 -4.221 1.00 0.00 N ATOM 279 CA THR A 577 7.146 -4.924 -4.501 1.00 0.00 C ATOM 280 C THR A 577 6.378 -5.183 -3.209 1.00 0.00 C ATOM 281 O THR A 577 6.889 -5.827 -2.292 1.00 0.00 O ATOM 282 CB THR A 577 7.309 -6.250 -5.267 1.00 0.00 C ATOM 283 OG1 THR A 577 8.308 -6.109 -6.284 1.00 0.00 O ATOM 284 CG2 THR A 577 5.993 -6.677 -5.900 1.00 0.00 C ATOM 0 H THR A 577 9.106 -4.927 -3.761 1.00 0.00 H new ATOM 0 HA THR A 577 6.586 -4.225 -5.122 1.00 0.00 H new ATOM 0 HB THR A 577 7.618 -7.017 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 577 9.181 -5.957 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.134 -7.616 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.242 -6.812 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.659 -5.909 -6.597 1.00 0.00 H new ATOM 292 N LEU A 578 5.155 -4.671 -3.139 1.00 0.00 N ATOM 293 CA LEU A 578 4.323 -4.841 -1.953 1.00 0.00 C ATOM 294 C LEU A 578 3.166 -5.798 -2.222 1.00 0.00 C ATOM 295 O LEU A 578 2.663 -5.883 -3.341 1.00 0.00 O ATOM 296 CB LEU A 578 3.780 -3.483 -1.494 1.00 0.00 C ATOM 297 CG LEU A 578 4.181 -3.055 -0.077 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.644 -3.365 0.200 1.00 0.00 C ATOM 299 CD2 LEU A 578 3.906 -1.571 0.118 1.00 0.00 C ATOM 0 H LEU A 578 4.717 -4.135 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 578 4.942 -5.269 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.120 -2.720 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.692 -3.508 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 578 3.580 -3.624 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.897 -3.050 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.814 -4.437 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.271 -2.831 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.194 -1.277 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.483 -0.996 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 578 2.844 -1.376 -0.027 1.00 0.00 H new ATOM 311 N SER A 579 2.748 -6.510 -1.181 1.00 0.00 N ATOM 312 CA SER A 579 1.647 -7.460 -1.288 1.00 0.00 C ATOM 313 C SER A 579 0.828 -7.467 0.000 1.00 0.00 C ATOM 314 O SER A 579 1.385 -7.475 1.098 1.00 0.00 O ATOM 315 CB SER A 579 2.180 -8.864 -1.581 1.00 0.00 C ATOM 316 OG SER A 579 1.170 -9.842 -1.401 1.00 0.00 O ATOM 0 H SER A 579 3.158 -6.446 -0.249 1.00 0.00 H new ATOM 0 HA SER A 579 1.003 -7.153 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.555 -8.908 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 579 3.022 -9.081 -0.924 1.00 0.00 H new ATOM 0 HG SER A 579 1.536 -10.730 -1.596 1.00 0.00 H new ATOM 322 N TRP A 580 -0.494 -7.447 -0.137 1.00 0.00 N ATOM 323 CA TRP A 580 -1.379 -7.432 1.023 1.00 0.00 C ATOM 324 C TRP A 580 -2.729 -8.064 0.700 1.00 0.00 C ATOM 325 O TRP A 580 -3.042 -8.331 -0.460 1.00 0.00 O ATOM 326 CB TRP A 580 -1.592 -5.995 1.496 1.00 0.00 C ATOM 327 CG TRP A 580 -2.244 -5.134 0.457 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.574 -4.839 0.350 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.596 -4.466 -0.628 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.790 -4.025 -0.737 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.590 -3.781 -1.353 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.269 -4.378 -1.056 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.296 -3.021 -2.484 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.020 -3.623 -2.176 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.989 -2.954 -2.878 1.00 0.00 C ATOM 0 H TRP A 580 -0.975 -7.441 -1.036 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.906 -8.016 1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.207 -6.001 2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.631 -5.561 1.770 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.343 -5.193 1.021 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.695 -3.662 -1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.517 -4.891 -0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.072 -2.504 -3.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.042 -3.548 -2.516 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.729 -2.372 -3.750 1.00 0.00 H new ATOM 346 N THR A 581 -3.527 -8.288 1.740 1.00 0.00 N ATOM 347 CA THR A 581 -4.850 -8.873 1.577 1.00 0.00 C ATOM 348 C THR A 581 -5.858 -7.817 1.141 1.00 0.00 C ATOM 349 O THR A 581 -6.204 -6.923 1.913 1.00 0.00 O ATOM 350 CB THR A 581 -5.341 -9.534 2.878 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.224 -9.884 3.703 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.162 -10.779 2.577 1.00 0.00 C ATOM 0 H THR A 581 -3.278 -8.072 2.705 1.00 0.00 H new ATOM 0 HA THR A 581 -4.768 -9.639 0.806 1.00 0.00 H new ATOM 0 HB THR A 581 -5.972 -8.819 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.950 -9.105 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.498 -11.228 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.028 -10.507 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.549 -11.495 2.030 1.00 0.00 H new ATOM 360 N ALA A 582 -6.318 -7.925 -0.102 1.00 0.00 N ATOM 361 CA ALA A 582 -7.281 -6.978 -0.650 1.00 0.00 C ATOM 362 C ALA A 582 -8.480 -6.809 0.276 1.00 0.00 C ATOM 363 O ALA A 582 -8.839 -7.724 1.018 1.00 0.00 O ATOM 364 CB ALA A 582 -7.738 -7.428 -2.030 1.00 0.00 C ATOM 0 H ALA A 582 -6.038 -8.661 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.787 -6.010 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.457 -6.711 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.878 -7.486 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.207 -8.409 -1.956 1.00 0.00 H new ATOM 370 N SER A 583 -9.092 -5.629 0.228 1.00 0.00 N ATOM 371 CA SER A 583 -10.251 -5.328 1.060 1.00 0.00 C ATOM 372 C SER A 583 -11.345 -6.372 0.867 1.00 0.00 C ATOM 373 O SER A 583 -11.643 -6.772 -0.259 1.00 0.00 O ATOM 374 CB SER A 583 -10.791 -3.935 0.729 1.00 0.00 C ATOM 375 OG SER A 583 -12.123 -4.002 0.247 1.00 0.00 O ATOM 0 H SER A 583 -8.802 -4.864 -0.381 1.00 0.00 H new ATOM 0 HA SER A 583 -9.936 -5.350 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 583 -10.755 -3.307 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.154 -3.464 -0.019 1.00 0.00 H new ATOM 0 HG SER A 583 -12.744 -3.762 0.966 1.00 0.00 H new ATOM 381 N THR A 584 -11.943 -6.810 1.972 1.00 0.00 N ATOM 382 CA THR A 584 -13.007 -7.806 1.923 1.00 0.00 C ATOM 383 C THR A 584 -14.210 -7.277 1.153 1.00 0.00 C ATOM 384 O THR A 584 -15.010 -8.048 0.621 1.00 0.00 O ATOM 385 CB THR A 584 -13.456 -8.227 3.334 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.314 -8.391 4.184 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.247 -9.526 3.286 1.00 0.00 C ATOM 0 H THR A 584 -11.708 -6.490 2.912 1.00 0.00 H new ATOM 0 HA THR A 584 -12.601 -8.678 1.410 1.00 0.00 H new ATOM 0 HB THR A 584 -14.098 -7.443 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 584 -12.609 -8.657 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 584 -14.553 -9.803 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 584 -15.131 -9.391 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.624 -10.316 2.866 1.00 0.00 H new ATOM 395 N ASP A 585 -14.325 -5.956 1.095 1.00 0.00 N ATOM 396 CA ASP A 585 -15.423 -5.311 0.387 1.00 0.00 C ATOM 397 C ASP A 585 -14.979 -4.880 -1.008 1.00 0.00 C ATOM 398 O ASP A 585 -15.238 -3.754 -1.435 1.00 0.00 O ATOM 399 CB ASP A 585 -15.925 -4.099 1.176 1.00 0.00 C ATOM 400 CG ASP A 585 -16.531 -4.487 2.511 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.005 -5.422 3.152 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.532 -3.860 2.916 1.00 0.00 O ATOM 0 H ASP A 585 -13.669 -5.309 1.532 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.237 -6.029 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.097 -3.410 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.669 -3.566 0.584 1.00 0.00 H new ATOM 407 N ASN A 586 -14.305 -5.786 -1.710 1.00 0.00 N ATOM 408 CA ASN A 586 -13.816 -5.509 -3.057 1.00 0.00 C ATOM 409 C ASN A 586 -14.972 -5.294 -4.029 1.00 0.00 C ATOM 410 O ASN A 586 -14.767 -4.872 -5.167 1.00 0.00 O ATOM 411 CB ASN A 586 -12.929 -6.656 -3.547 1.00 0.00 C ATOM 412 CG ASN A 586 -13.668 -7.978 -3.614 1.00 0.00 C ATOM 413 OD1 ASN A 586 -14.491 -8.288 -2.752 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.376 -8.766 -4.642 1.00 0.00 N ATOM 0 H ASN A 586 -14.084 -6.721 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 586 -13.227 -4.593 -3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -12.539 -6.412 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -12.072 -6.757 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.841 -9.669 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.687 -8.469 -5.333 1.00 0.00 H new ATOM 421 N VAL A 587 -16.188 -5.581 -3.572 1.00 0.00 N ATOM 422 CA VAL A 587 -17.374 -5.412 -4.404 1.00 0.00 C ATOM 423 C VAL A 587 -17.740 -3.936 -4.537 1.00 0.00 C ATOM 424 O VAL A 587 -18.746 -3.590 -5.157 1.00 0.00 O ATOM 425 CB VAL A 587 -18.580 -6.182 -3.831 1.00 0.00 C ATOM 426 CG1 VAL A 587 -18.332 -7.682 -3.891 1.00 0.00 C ATOM 427 CG2 VAL A 587 -18.872 -5.739 -2.406 1.00 0.00 C ATOM 0 H VAL A 587 -16.377 -5.931 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.134 -5.816 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.454 -5.956 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -19.194 -8.210 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -18.179 -7.984 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -17.445 -7.928 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.727 -6.295 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.001 -5.932 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -19.098 -4.673 -2.396 1.00 0.00 H new ATOM 437 N GLY A 588 -16.914 -3.074 -3.950 1.00 0.00 N ATOM 438 CA GLY A 588 -17.162 -1.645 -4.014 1.00 0.00 C ATOM 439 C GLY A 588 -15.884 -0.842 -4.158 1.00 0.00 C ATOM 440 O GLY A 588 -15.923 0.382 -4.281 1.00 0.00 O ATOM 0 H GLY A 588 -16.077 -3.340 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.819 -1.431 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.686 -1.329 -3.112 1.00 0.00 H new ATOM 444 N VAL A 589 -14.747 -1.533 -4.144 1.00 0.00 N ATOM 445 CA VAL A 589 -13.449 -0.877 -4.275 1.00 0.00 C ATOM 446 C VAL A 589 -12.963 -0.912 -5.721 1.00 0.00 C ATOM 447 O VAL A 589 -13.237 -1.861 -6.455 1.00 0.00 O ATOM 448 CB VAL A 589 -12.392 -1.539 -3.367 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.071 -0.790 -3.442 1.00 0.00 C ATOM 450 CG2 VAL A 589 -12.891 -1.608 -1.932 1.00 0.00 C ATOM 0 H VAL A 589 -14.698 -2.547 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.581 0.160 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.224 -2.556 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.341 -1.274 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.706 -0.798 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.218 0.240 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.133 -2.078 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.090 -0.600 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -13.808 -2.195 -1.894 1.00 0.00 H new ATOM 460 N THR A 590 -12.245 0.134 -6.126 1.00 0.00 N ATOM 461 CA THR A 590 -11.728 0.225 -7.485 1.00 0.00 C ATOM 462 C THR A 590 -10.206 0.100 -7.518 1.00 0.00 C ATOM 463 O THR A 590 -9.641 -0.410 -8.486 1.00 0.00 O ATOM 464 CB THR A 590 -12.138 1.553 -8.153 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.604 1.618 -9.482 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.644 2.744 -7.346 1.00 0.00 C ATOM 0 H THR A 590 -12.010 0.928 -5.531 1.00 0.00 H new ATOM 0 HA THR A 590 -12.164 -0.606 -8.039 1.00 0.00 H new ATOM 0 HB THR A 590 -13.227 1.590 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.870 2.463 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.946 3.668 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.074 2.709 -6.345 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.557 2.710 -7.275 1.00 0.00 H new ATOM 474 N GLY A 591 -9.547 0.567 -6.461 1.00 0.00 N ATOM 475 CA GLY A 591 -8.097 0.495 -6.405 1.00 0.00 C ATOM 476 C GLY A 591 -7.549 0.717 -5.008 1.00 0.00 C ATOM 477 O GLY A 591 -8.308 0.927 -4.060 1.00 0.00 O ATOM 0 H GLY A 591 -9.989 0.992 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.772 -0.481 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.675 1.241 -7.078 1.00 0.00 H new ATOM 481 N TYR A 592 -6.225 0.667 -4.882 1.00 0.00 N ATOM 482 CA TYR A 592 -5.566 0.861 -3.595 1.00 0.00 C ATOM 483 C TYR A 592 -4.390 1.827 -3.719 1.00 0.00 C ATOM 484 O TYR A 592 -3.587 1.729 -4.645 1.00 0.00 O ATOM 485 CB TYR A 592 -5.070 -0.479 -3.046 1.00 0.00 C ATOM 486 CG TYR A 592 -6.164 -1.504 -2.855 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.547 -2.343 -3.894 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.816 -1.631 -1.636 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.548 -3.279 -3.722 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.817 -2.565 -1.455 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.175 -3.392 -2.503 1.00 0.00 C ATOM 492 OH TYR A 592 -9.177 -4.317 -2.325 1.00 0.00 O ATOM 0 H TYR A 592 -5.587 0.493 -5.658 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.296 1.288 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.320 -0.884 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.574 -0.308 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.054 -2.262 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.535 -0.988 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.837 -3.920 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.317 -2.649 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.320 -4.809 -3.160 1.00 0.00 H new ATOM 502 N ASP A 593 -4.291 2.752 -2.770 1.00 0.00 N ATOM 503 CA ASP A 593 -3.210 3.731 -2.755 1.00 0.00 C ATOM 504 C ASP A 593 -2.304 3.502 -1.551 1.00 0.00 C ATOM 505 O ASP A 593 -2.761 3.536 -0.407 1.00 0.00 O ATOM 506 CB ASP A 593 -3.777 5.150 -2.719 1.00 0.00 C ATOM 507 CG ASP A 593 -3.439 5.940 -3.969 1.00 0.00 C ATOM 508 OD1 ASP A 593 -2.284 5.852 -4.434 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.332 6.645 -4.483 1.00 0.00 O ATOM 0 H ASP A 593 -4.950 2.844 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.623 3.610 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.860 5.103 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.386 5.672 -1.846 1.00 0.00 H new ATOM 514 N VAL A 594 -1.022 3.260 -1.808 1.00 0.00 N ATOM 515 CA VAL A 594 -0.069 3.018 -0.733 1.00 0.00 C ATOM 516 C VAL A 594 0.738 4.275 -0.417 1.00 0.00 C ATOM 517 O VAL A 594 1.120 5.025 -1.316 1.00 0.00 O ATOM 518 CB VAL A 594 0.880 1.841 -1.071 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.924 1.597 -2.567 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.284 2.076 -0.520 1.00 0.00 C ATOM 0 H VAL A 594 -0.622 3.227 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.644 2.747 0.152 1.00 0.00 H new ATOM 0 HB VAL A 594 0.481 0.949 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.597 0.766 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.076 1.355 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.284 2.494 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.922 1.230 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.697 2.987 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.237 2.179 0.564 1.00 0.00 H new ATOM 530 N TYR A 595 0.984 4.498 0.871 1.00 0.00 N ATOM 531 CA TYR A 595 1.736 5.662 1.322 1.00 0.00 C ATOM 532 C TYR A 595 3.191 5.298 1.600 1.00 0.00 C ATOM 533 O TYR A 595 3.544 4.122 1.696 1.00 0.00 O ATOM 534 CB TYR A 595 1.107 6.237 2.595 1.00 0.00 C ATOM 535 CG TYR A 595 -0.248 6.878 2.385 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.400 6.105 2.320 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.374 8.256 2.242 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.639 6.685 2.122 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.611 8.842 2.044 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.739 8.064 2.016 1.00 0.00 C ATOM 541 OH TYR A 595 -3.972 8.632 1.787 1.00 0.00 O ATOM 0 H TYR A 595 0.671 3.884 1.623 1.00 0.00 H new ATOM 0 HA TYR A 595 1.705 6.409 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.008 5.438 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.785 6.978 3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.327 5.033 2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.508 8.878 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.523 6.069 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.688 9.911 1.912 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.879 9.606 1.739 1.00 0.00 H new ATOM 551 N ASN A 596 4.027 6.322 1.738 1.00 0.00 N ATOM 552 CA ASN A 596 5.445 6.130 2.016 1.00 0.00 C ATOM 553 C ASN A 596 5.931 7.172 3.019 1.00 0.00 C ATOM 554 O ASN A 596 6.415 8.237 2.636 1.00 0.00 O ATOM 555 CB ASN A 596 6.262 6.225 0.725 1.00 0.00 C ATOM 556 CG ASN A 596 7.738 5.954 0.949 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.139 5.472 2.008 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.554 6.266 -0.051 1.00 0.00 N ATOM 0 H ASN A 596 3.744 7.299 1.661 1.00 0.00 H new ATOM 0 HA ASN A 596 5.582 5.136 2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.871 5.512 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.140 7.219 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.557 6.108 0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.177 6.664 -0.911 1.00 0.00 H new ATOM 565 N GLY A 597 5.784 6.863 4.302 1.00 0.00 N ATOM 566 CA GLY A 597 6.199 7.790 5.338 1.00 0.00 C ATOM 567 C GLY A 597 5.280 8.994 5.425 1.00 0.00 C ATOM 568 O GLY A 597 5.714 10.128 5.228 1.00 0.00 O ATOM 0 H GLY A 597 5.385 5.988 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.215 7.276 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.217 8.125 5.138 1.00 0.00 H new ATOM 572 N THR A 598 4.006 8.736 5.714 1.00 0.00 N ATOM 573 CA THR A 598 3.002 9.792 5.824 1.00 0.00 C ATOM 574 C THR A 598 2.944 10.643 4.557 1.00 0.00 C ATOM 575 O THR A 598 2.753 11.858 4.619 1.00 0.00 O ATOM 576 CB THR A 598 3.262 10.704 7.040 1.00 0.00 C ATOM 577 OG1 THR A 598 4.340 11.607 6.765 1.00 0.00 O ATOM 578 CG2 THR A 598 3.589 9.877 8.274 1.00 0.00 C ATOM 0 H THR A 598 3.643 7.797 5.877 1.00 0.00 H new ATOM 0 HA THR A 598 2.043 9.292 5.960 1.00 0.00 H new ATOM 0 HB THR A 598 2.355 11.277 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 598 4.897 11.242 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.769 10.541 9.120 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.752 9.217 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.481 9.280 8.086 1.00 0.00 H new ATOM 586 N ALA A 599 3.107 9.995 3.406 1.00 0.00 N ATOM 587 CA ALA A 599 3.071 10.686 2.121 1.00 0.00 C ATOM 588 C ALA A 599 2.782 9.714 0.982 1.00 0.00 C ATOM 589 O ALA A 599 3.606 8.856 0.666 1.00 0.00 O ATOM 590 CB ALA A 599 4.387 11.411 1.876 1.00 0.00 C ATOM 0 H ALA A 599 3.266 8.990 3.338 1.00 0.00 H new ATOM 0 HA ALA A 599 2.264 11.418 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.347 11.922 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.553 12.141 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.204 10.690 1.870 1.00 0.00 H new ATOM 596 N LEU A 600 1.607 9.854 0.369 1.00 0.00 N ATOM 597 CA LEU A 600 1.202 8.988 -0.738 1.00 0.00 C ATOM 598 C LEU A 600 2.328 8.820 -1.752 1.00 0.00 C ATOM 599 O LEU A 600 2.939 9.797 -2.184 1.00 0.00 O ATOM 600 CB LEU A 600 -0.043 9.555 -1.426 1.00 0.00 C ATOM 601 CG LEU A 600 -0.921 8.529 -2.154 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.358 8.227 -3.533 1.00 0.00 C ATOM 603 CD2 LEU A 600 -1.066 7.246 -1.342 1.00 0.00 C ATOM 0 H LEU A 600 0.917 10.561 0.621 1.00 0.00 H new ATOM 0 HA LEU A 600 0.969 8.006 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.652 10.061 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.273 10.311 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.914 8.964 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.994 7.497 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.325 9.144 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.649 7.823 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.694 6.540 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.082 6.806 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.526 7.474 -0.380 1.00 0.00 H new ATOM 615 N ALA A 601 2.600 7.571 -2.125 1.00 0.00 N ATOM 616 CA ALA A 601 3.656 7.273 -3.084 1.00 0.00 C ATOM 617 C ALA A 601 3.083 6.720 -4.389 1.00 0.00 C ATOM 618 O ALA A 601 2.668 7.482 -5.262 1.00 0.00 O ATOM 619 CB ALA A 601 4.655 6.297 -2.479 1.00 0.00 C ATOM 0 H ALA A 601 2.103 6.751 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 601 4.172 8.204 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.439 6.082 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.098 6.737 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.144 5.372 -2.212 1.00 0.00 H new ATOM 625 N THR A 602 3.071 5.395 -4.524 1.00 0.00 N ATOM 626 CA THR A 602 2.559 4.757 -5.733 1.00 0.00 C ATOM 627 C THR A 602 1.066 4.447 -5.628 1.00 0.00 C ATOM 628 O THR A 602 0.472 4.521 -4.548 1.00 0.00 O ATOM 629 CB THR A 602 3.326 3.461 -6.057 1.00 0.00 C ATOM 630 OG1 THR A 602 3.060 3.059 -7.407 1.00 0.00 O ATOM 631 CG2 THR A 602 2.938 2.341 -5.108 1.00 0.00 C ATOM 0 H THR A 602 3.409 4.746 -3.814 1.00 0.00 H new ATOM 0 HA THR A 602 2.710 5.472 -6.542 1.00 0.00 H new ATOM 0 HB THR A 602 4.391 3.661 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.751 2.431 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.496 1.440 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.170 2.635 -4.084 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.870 2.143 -5.196 1.00 0.00 H new ATOM 639 N THR A 603 0.474 4.092 -6.765 1.00 0.00 N ATOM 640 CA THR A 603 -0.944 3.761 -6.831 1.00 0.00 C ATOM 641 C THR A 603 -1.156 2.465 -7.604 1.00 0.00 C ATOM 642 O THR A 603 -0.474 2.207 -8.597 1.00 0.00 O ATOM 643 CB THR A 603 -1.755 4.885 -7.505 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.418 6.150 -6.924 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.249 4.637 -7.363 1.00 0.00 C ATOM 0 H THR A 603 0.960 4.026 -7.659 1.00 0.00 H new ATOM 0 HA THR A 603 -1.294 3.640 -5.806 1.00 0.00 H new ATOM 0 HB THR A 603 -1.505 4.895 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.592 6.124 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.799 5.444 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.507 3.689 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.513 4.601 -6.306 1.00 0.00 H new ATOM 653 N VAL A 604 -2.097 1.651 -7.143 1.00 0.00 N ATOM 654 CA VAL A 604 -2.388 0.380 -7.793 1.00 0.00 C ATOM 655 C VAL A 604 -3.886 0.101 -7.825 1.00 0.00 C ATOM 656 O VAL A 604 -4.690 0.919 -7.376 1.00 0.00 O ATOM 657 CB VAL A 604 -1.670 -0.782 -7.081 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.197 -0.807 -7.455 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.843 -0.673 -5.572 1.00 0.00 C ATOM 0 H VAL A 604 -2.671 1.848 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.022 0.455 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.121 -1.719 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.294 -1.634 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.097 -0.937 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.270 0.132 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.329 -1.502 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.420 0.270 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.904 -0.708 -5.324 1.00 0.00 H new ATOM 669 N THR A 605 -4.254 -1.059 -8.359 1.00 0.00 N ATOM 670 CA THR A 605 -5.655 -1.453 -8.451 1.00 0.00 C ATOM 671 C THR A 605 -5.825 -2.935 -8.142 1.00 0.00 C ATOM 672 O THR A 605 -6.942 -3.412 -7.931 1.00 0.00 O ATOM 673 CB THR A 605 -6.234 -1.162 -9.850 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.400 -1.748 -10.857 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.349 0.336 -10.089 1.00 0.00 C ATOM 0 H THR A 605 -3.599 -1.744 -8.736 1.00 0.00 H new ATOM 0 HA THR A 605 -6.199 -0.863 -7.714 1.00 0.00 H new ATOM 0 HB THR A 605 -7.231 -1.599 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.775 -1.560 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.760 0.515 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.008 0.775 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.362 0.793 -10.017 1.00 0.00 H new ATOM 683 N GLY A 606 -4.711 -3.660 -8.120 1.00 0.00 N ATOM 684 CA GLY A 606 -4.755 -5.083 -7.839 1.00 0.00 C ATOM 685 C GLY A 606 -4.432 -5.402 -6.391 1.00 0.00 C ATOM 686 O GLY A 606 -5.070 -4.878 -5.478 1.00 0.00 O ATOM 0 H GLY A 606 -3.778 -3.287 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.747 -5.467 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.048 -5.600 -8.488 1.00 0.00 H new ATOM 690 N THR A 607 -3.441 -6.265 -6.185 1.00 0.00 N ATOM 691 CA THR A 607 -3.033 -6.656 -4.841 1.00 0.00 C ATOM 692 C THR A 607 -1.573 -6.301 -4.580 1.00 0.00 C ATOM 693 O THR A 607 -1.118 -6.301 -3.436 1.00 0.00 O ATOM 694 CB THR A 607 -3.231 -8.166 -4.612 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.260 -8.852 -5.869 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.521 -8.436 -3.853 1.00 0.00 C ATOM 0 H THR A 607 -2.906 -6.707 -6.933 1.00 0.00 H new ATOM 0 HA THR A 607 -3.666 -6.103 -4.147 1.00 0.00 H new ATOM 0 HB THR A 607 -2.395 -8.532 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.384 -9.812 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.638 -9.509 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.485 -7.937 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.367 -8.055 -4.426 1.00 0.00 H new ATOM 704 N THR A 608 -0.842 -5.998 -5.649 1.00 0.00 N ATOM 705 CA THR A 608 0.568 -5.641 -5.539 1.00 0.00 C ATOM 706 C THR A 608 0.762 -4.131 -5.632 1.00 0.00 C ATOM 707 O THR A 608 -0.195 -3.385 -5.839 1.00 0.00 O ATOM 708 CB THR A 608 1.411 -6.322 -6.634 1.00 0.00 C ATOM 709 OG1 THR A 608 0.557 -7.024 -7.546 1.00 0.00 O ATOM 710 CG2 THR A 608 2.413 -7.292 -6.024 1.00 0.00 C ATOM 0 H THR A 608 -1.204 -5.993 -6.603 1.00 0.00 H new ATOM 0 HA THR A 608 0.905 -5.990 -4.563 1.00 0.00 H new ATOM 0 HB THR A 608 1.959 -5.548 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.101 -7.452 -8.240 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.996 -7.760 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 608 3.081 -6.751 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.881 -8.060 -5.464 1.00 0.00 H new ATOM 718 N ALA A 609 2.006 -3.687 -5.474 1.00 0.00 N ATOM 719 CA ALA A 609 2.328 -2.264 -5.539 1.00 0.00 C ATOM 720 C ALA A 609 3.806 -2.048 -5.849 1.00 0.00 C ATOM 721 O ALA A 609 4.678 -2.541 -5.133 1.00 0.00 O ATOM 722 CB ALA A 609 1.955 -1.584 -4.230 1.00 0.00 C ATOM 0 H ALA A 609 2.808 -4.292 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 609 1.748 -1.819 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.199 -0.523 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.886 -1.701 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.512 -2.040 -3.412 1.00 0.00 H new ATOM 728 N THR A 610 4.079 -1.310 -6.921 1.00 0.00 N ATOM 729 CA THR A 610 5.451 -1.028 -7.326 1.00 0.00 C ATOM 730 C THR A 610 5.840 0.409 -6.996 1.00 0.00 C ATOM 731 O THR A 610 5.255 1.356 -7.522 1.00 0.00 O ATOM 732 CB THR A 610 5.651 -1.265 -8.835 1.00 0.00 C ATOM 733 OG1 THR A 610 4.866 -2.383 -9.266 1.00 0.00 O ATOM 734 CG2 THR A 610 7.118 -1.517 -9.153 1.00 0.00 C ATOM 0 H THR A 610 3.368 -0.897 -7.524 1.00 0.00 H new ATOM 0 HA THR A 610 6.090 -1.712 -6.768 1.00 0.00 H new ATOM 0 HB THR A 610 5.328 -0.370 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.998 -2.525 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.235 -1.682 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.709 -0.652 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.462 -2.398 -8.611 1.00 0.00 H new ATOM 742 N ILE A 611 6.833 0.563 -6.125 1.00 0.00 N ATOM 743 CA ILE A 611 7.302 1.884 -5.725 1.00 0.00 C ATOM 744 C ILE A 611 8.657 2.196 -6.352 1.00 0.00 C ATOM 745 O ILE A 611 9.611 1.431 -6.204 1.00 0.00 O ATOM 746 CB ILE A 611 7.410 1.997 -4.191 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.030 1.834 -3.549 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.030 3.330 -3.793 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.989 0.786 -2.459 1.00 0.00 C ATOM 0 H ILE A 611 7.328 -0.212 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 611 6.569 2.608 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 611 8.058 1.198 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.717 2.791 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.308 1.571 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.097 3.390 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.028 3.410 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.409 4.145 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.980 0.726 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.271 -0.182 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.686 1.058 -1.666 1.00 0.00 H new ATOM 761 N SER A 612 8.734 3.325 -7.053 1.00 0.00 N ATOM 762 CA SER A 612 9.972 3.741 -7.702 1.00 0.00 C ATOM 763 C SER A 612 10.611 4.909 -6.957 1.00 0.00 C ATOM 764 O SER A 612 10.025 5.456 -6.023 1.00 0.00 O ATOM 765 CB SER A 612 9.702 4.136 -9.156 1.00 0.00 C ATOM 766 OG SER A 612 8.338 4.468 -9.351 1.00 0.00 O ATOM 0 H SER A 612 7.953 3.967 -7.185 1.00 0.00 H new ATOM 0 HA SER A 612 10.664 2.899 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.328 4.986 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.977 3.314 -9.816 1.00 0.00 H new ATOM 0 HG SER A 612 8.193 4.718 -10.287 1.00 0.00 H new ATOM 772 N GLY A 613 11.816 5.286 -7.377 1.00 0.00 N ATOM 773 CA GLY A 613 12.515 6.386 -6.738 1.00 0.00 C ATOM 774 C GLY A 613 12.879 6.085 -5.297 1.00 0.00 C ATOM 775 O GLY A 613 12.342 6.698 -4.374 1.00 0.00 O ATOM 0 H GLY A 613 12.320 4.849 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.422 6.610 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 613 11.890 7.278 -6.773 1.00 0.00 H new ATOM 779 N LEU A 614 13.793 5.138 -5.106 1.00 0.00 N ATOM 780 CA LEU A 614 14.228 4.755 -3.767 1.00 0.00 C ATOM 781 C LEU A 614 15.752 4.733 -3.673 1.00 0.00 C ATOM 782 O LEU A 614 16.441 4.532 -4.674 1.00 0.00 O ATOM 783 CB LEU A 614 13.659 3.382 -3.399 1.00 0.00 C ATOM 784 CG LEU A 614 12.673 3.375 -2.228 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.523 4.329 -2.497 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.152 1.968 -1.981 1.00 0.00 C ATOM 0 H LEU A 614 14.246 4.622 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 614 13.852 5.497 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.160 2.967 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.488 2.716 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 614 13.197 3.711 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.831 4.312 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.911 5.339 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.000 4.022 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 614 11.452 1.981 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.643 1.606 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.986 1.307 -1.746 1.00 0.00 H new ATOM 798 N ALA A 615 16.268 4.942 -2.466 1.00 0.00 N ATOM 799 CA ALA A 615 17.709 4.949 -2.238 1.00 0.00 C ATOM 800 C ALA A 615 18.109 3.894 -1.213 1.00 0.00 C ATOM 801 O ALA A 615 17.403 3.672 -0.229 1.00 0.00 O ATOM 802 CB ALA A 615 18.163 6.327 -1.781 1.00 0.00 C ATOM 0 H ALA A 615 15.709 5.109 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 615 18.201 4.708 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.240 6.318 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.920 7.063 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.654 6.588 -0.853 1.00 0.00 H new ATOM 808 N ALA A 616 19.245 3.246 -1.451 1.00 0.00 N ATOM 809 CA ALA A 616 19.740 2.213 -0.549 1.00 0.00 C ATOM 810 C ALA A 616 20.280 2.819 0.742 1.00 0.00 C ATOM 811 O ALA A 616 20.358 4.040 0.879 1.00 0.00 O ATOM 812 CB ALA A 616 20.819 1.388 -1.236 1.00 0.00 C ATOM 0 H ALA A 616 19.840 3.418 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 616 18.905 1.562 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.181 0.620 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.404 0.915 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.646 2.037 -1.523 1.00 0.00 H new ATOM 818 N ASP A 617 20.649 1.956 1.684 1.00 0.00 N ATOM 819 CA ASP A 617 21.181 2.396 2.971 1.00 0.00 C ATOM 820 C ASP A 617 20.201 3.325 3.679 1.00 0.00 C ATOM 821 O ASP A 617 20.602 4.193 4.456 1.00 0.00 O ATOM 822 CB ASP A 617 22.526 3.100 2.780 1.00 0.00 C ATOM 823 CG ASP A 617 23.701 2.198 3.105 1.00 0.00 C ATOM 824 OD1 ASP A 617 24.076 2.118 4.294 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.245 1.572 2.172 1.00 0.00 O ATOM 0 H ASP A 617 20.589 0.943 1.580 1.00 0.00 H new ATOM 0 HA ASP A 617 21.328 1.513 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.610 3.444 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.564 3.985 3.416 1.00 0.00 H new ATOM 830 N THR A 618 18.914 3.136 3.404 1.00 0.00 N ATOM 831 CA THR A 618 17.873 3.956 4.013 1.00 0.00 C ATOM 832 C THR A 618 16.668 3.110 4.410 1.00 0.00 C ATOM 833 O THR A 618 16.279 2.189 3.689 1.00 0.00 O ATOM 834 CB THR A 618 17.407 5.073 3.060 1.00 0.00 C ATOM 835 OG1 THR A 618 18.525 5.595 2.331 1.00 0.00 O ATOM 836 CG2 THR A 618 16.729 6.194 3.833 1.00 0.00 C ATOM 0 H THR A 618 18.567 2.422 2.763 1.00 0.00 H new ATOM 0 HA THR A 618 18.309 4.407 4.905 1.00 0.00 H new ATOM 0 HB THR A 618 16.687 4.648 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.919 4.884 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.408 6.972 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.862 5.799 4.362 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.431 6.616 4.552 1.00 0.00 H new ATOM 844 N SER A 619 16.078 3.432 5.556 1.00 0.00 N ATOM 845 CA SER A 619 14.913 2.707 6.047 1.00 0.00 C ATOM 846 C SER A 619 13.629 3.316 5.492 1.00 0.00 C ATOM 847 O SER A 619 13.487 4.538 5.436 1.00 0.00 O ATOM 848 CB SER A 619 14.883 2.726 7.578 1.00 0.00 C ATOM 849 OG SER A 619 15.043 1.423 8.109 1.00 0.00 O ATOM 0 H SER A 619 16.388 4.191 6.162 1.00 0.00 H new ATOM 0 HA SER A 619 14.983 1.674 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.676 3.374 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 619 13.938 3.148 7.921 1.00 0.00 H new ATOM 0 HG SER A 619 15.022 1.464 9.088 1.00 0.00 H new ATOM 855 N TYR A 620 12.699 2.461 5.076 1.00 0.00 N ATOM 856 CA TYR A 620 11.434 2.929 4.519 1.00 0.00 C ATOM 857 C TYR A 620 10.249 2.192 5.133 1.00 0.00 C ATOM 858 O TYR A 620 10.251 0.965 5.235 1.00 0.00 O ATOM 859 CB TYR A 620 11.421 2.748 3.001 1.00 0.00 C ATOM 860 CG TYR A 620 12.354 3.684 2.266 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.024 5.020 2.080 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.566 3.230 1.762 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.875 5.879 1.410 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.423 4.083 1.091 1.00 0.00 C ATOM 865 CZ TYR A 620 14.067 5.407 0.914 1.00 0.00 C ATOM 866 OH TYR A 620 14.924 6.257 0.254 1.00 0.00 O ATOM 0 H TYR A 620 12.796 1.446 5.114 1.00 0.00 H new ATOM 0 HA TYR A 620 11.341 3.988 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.693 1.719 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.406 2.901 2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.087 5.394 2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.843 2.195 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.605 6.916 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.364 3.717 0.708 1.00 0.00 H new ATOM 0 HH TYR A 620 15.848 5.958 0.387 1.00 0.00 H new ATOM 876 N THR A 621 9.233 2.953 5.528 1.00 0.00 N ATOM 877 CA THR A 621 8.029 2.383 6.119 1.00 0.00 C ATOM 878 C THR A 621 6.831 2.609 5.201 1.00 0.00 C ATOM 879 O THR A 621 6.391 3.743 5.009 1.00 0.00 O ATOM 880 CB THR A 621 7.730 2.999 7.498 1.00 0.00 C ATOM 881 OG1 THR A 621 8.179 4.359 7.537 1.00 0.00 O ATOM 882 CG2 THR A 621 8.410 2.205 8.603 1.00 0.00 C ATOM 0 H THR A 621 9.221 3.970 5.449 1.00 0.00 H new ATOM 0 HA THR A 621 8.203 1.314 6.246 1.00 0.00 H new ATOM 0 HB THR A 621 6.652 2.968 7.658 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.983 4.743 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.185 2.658 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.045 1.178 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.488 2.209 8.443 1.00 0.00 H new ATOM 890 N PHE A 622 6.317 1.528 4.623 1.00 0.00 N ATOM 891 CA PHE A 622 5.181 1.621 3.711 1.00 0.00 C ATOM 892 C PHE A 622 3.876 1.206 4.383 1.00 0.00 C ATOM 893 O PHE A 622 3.875 0.590 5.449 1.00 0.00 O ATOM 894 CB PHE A 622 5.418 0.751 2.476 1.00 0.00 C ATOM 895 CG PHE A 622 6.652 1.120 1.704 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.714 2.309 0.996 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.749 0.274 1.683 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.848 2.650 0.283 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.887 0.609 0.972 1.00 0.00 C ATOM 900 CZ PHE A 622 8.935 1.798 0.271 1.00 0.00 C ATOM 0 H PHE A 622 6.667 0.581 4.769 1.00 0.00 H new ATOM 0 HA PHE A 622 5.091 2.666 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.492 -0.291 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.552 0.827 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.866 2.978 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.715 -0.658 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.884 3.581 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.736 -0.058 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.822 2.061 -0.286 1.00 0.00 H new ATOM 910 N THR A 623 2.770 1.546 3.731 1.00 0.00 N ATOM 911 CA THR A 623 1.436 1.220 4.222 1.00 0.00 C ATOM 912 C THR A 623 0.434 1.288 3.075 1.00 0.00 C ATOM 913 O THR A 623 0.622 2.051 2.130 1.00 0.00 O ATOM 914 CB THR A 623 0.991 2.183 5.340 1.00 0.00 C ATOM 915 OG1 THR A 623 1.646 3.448 5.188 1.00 0.00 O ATOM 916 CG2 THR A 623 1.309 1.605 6.711 1.00 0.00 C ATOM 0 H THR A 623 2.773 2.055 2.847 1.00 0.00 H new ATOM 0 HA THR A 623 1.471 0.211 4.633 1.00 0.00 H new ATOM 0 HB THR A 623 -0.087 2.320 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.356 4.054 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.986 2.302 7.484 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.786 0.657 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.383 1.441 6.796 1.00 0.00 H new ATOM 924 N VAL A 624 -0.623 0.488 3.148 1.00 0.00 N ATOM 925 CA VAL A 624 -1.628 0.479 2.091 1.00 0.00 C ATOM 926 C VAL A 624 -2.946 1.078 2.560 1.00 0.00 C ATOM 927 O VAL A 624 -3.332 0.939 3.721 1.00 0.00 O ATOM 928 CB VAL A 624 -1.881 -0.940 1.550 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.071 -1.175 0.286 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.554 -1.989 2.603 1.00 0.00 C ATOM 0 H VAL A 624 -0.806 -0.156 3.918 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.225 1.095 1.287 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.939 -1.030 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.260 -2.182 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.362 -0.448 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.010 -1.063 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.741 -2.983 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.505 -1.905 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.181 -1.832 3.480 1.00 0.00 H new ATOM 940 N LYS A 625 -3.628 1.752 1.640 1.00 0.00 N ATOM 941 CA LYS A 625 -4.904 2.388 1.935 1.00 0.00 C ATOM 942 C LYS A 625 -5.922 2.093 0.838 1.00 0.00 C ATOM 943 O LYS A 625 -5.650 2.304 -0.342 1.00 0.00 O ATOM 944 CB LYS A 625 -4.711 3.894 2.075 1.00 0.00 C ATOM 945 CG LYS A 625 -4.583 4.357 3.515 1.00 0.00 C ATOM 946 CD LYS A 625 -5.744 5.245 3.905 1.00 0.00 C ATOM 947 CE LYS A 625 -5.529 5.877 5.269 1.00 0.00 C ATOM 948 NZ LYS A 625 -4.218 6.575 5.357 1.00 0.00 N ATOM 0 H LYS A 625 -3.314 1.872 0.677 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.283 1.984 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -3.817 4.190 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.555 4.405 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.544 3.492 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.646 4.899 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -5.872 6.027 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.663 4.660 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.332 6.586 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.583 5.107 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.153 7.078 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -3.449 5.878 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -4.135 7.258 4.577 1.00 0.00 H new ATOM 962 N ALA A 626 -7.090 1.599 1.233 1.00 0.00 N ATOM 963 CA ALA A 626 -8.141 1.274 0.277 1.00 0.00 C ATOM 964 C ALA A 626 -8.929 2.518 -0.119 1.00 0.00 C ATOM 965 O ALA A 626 -9.175 3.397 0.707 1.00 0.00 O ATOM 966 CB ALA A 626 -9.073 0.218 0.854 1.00 0.00 C ATOM 0 H ALA A 626 -7.332 1.415 2.207 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.669 0.875 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.853 -0.014 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.505 -0.685 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.529 0.596 1.769 1.00 0.00 H new ATOM 972 N LYS A 627 -9.320 2.585 -1.388 1.00 0.00 N ATOM 973 CA LYS A 627 -10.081 3.722 -1.895 1.00 0.00 C ATOM 974 C LYS A 627 -11.180 3.259 -2.849 1.00 0.00 C ATOM 975 O LYS A 627 -11.005 2.291 -3.589 1.00 0.00 O ATOM 976 CB LYS A 627 -9.154 4.712 -2.606 1.00 0.00 C ATOM 977 CG LYS A 627 -8.057 4.045 -3.420 1.00 0.00 C ATOM 978 CD LYS A 627 -8.432 3.954 -4.890 1.00 0.00 C ATOM 979 CE LYS A 627 -7.891 5.136 -5.678 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.985 5.973 -6.243 1.00 0.00 N ATOM 0 H LYS A 627 -9.123 1.866 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.547 4.221 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.749 5.345 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.697 5.366 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.130 4.608 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -7.869 3.045 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.042 3.027 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.517 3.916 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.263 5.748 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.256 4.774 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.575 6.768 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -9.569 5.396 -6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.576 6.340 -5.470 1.00 0.00 H new ATOM 994 N ASP A 628 -12.311 3.956 -2.821 1.00 0.00 N ATOM 995 CA ASP A 628 -13.442 3.618 -3.678 1.00 0.00 C ATOM 996 C ASP A 628 -13.600 4.636 -4.803 1.00 0.00 C ATOM 997 O ASP A 628 -12.804 5.566 -4.930 1.00 0.00 O ATOM 998 CB ASP A 628 -14.729 3.554 -2.853 1.00 0.00 C ATOM 999 CG ASP A 628 -14.890 2.231 -2.129 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -13.917 1.447 -2.102 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.988 1.976 -1.590 1.00 0.00 O ATOM 0 H ASP A 628 -12.469 4.760 -2.213 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.249 2.641 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.731 4.365 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.585 3.712 -3.509 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.636 4.451 -5.616 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.905 5.352 -6.730 1.00 0.00 C ATOM 1008 C ALA A 629 -15.739 6.547 -6.280 1.00 0.00 C ATOM 1009 O ALA A 629 -15.927 7.503 -7.033 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.612 4.605 -7.850 1.00 0.00 C ATOM 0 H ALA A 629 -15.303 3.685 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 629 -13.952 5.727 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.808 5.288 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.981 3.787 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.555 4.203 -7.480 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.234 6.484 -5.048 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.048 7.559 -4.494 1.00 0.00 C ATOM 1018 C ALA A 630 -16.178 8.622 -3.832 1.00 0.00 C ATOM 1019 O ALA A 630 -16.673 9.664 -3.403 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.051 6.999 -3.495 1.00 0.00 C ATOM 0 H ALA A 630 -16.085 5.699 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.590 8.030 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.653 7.812 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.701 6.282 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.518 6.502 -2.684 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.879 8.350 -3.754 1.00 0.00 N ATOM 1027 CA GLY A 631 -13.960 9.293 -3.144 1.00 0.00 C ATOM 1028 C GLY A 631 -13.775 9.044 -1.659 1.00 0.00 C ATOM 1029 O GLY A 631 -13.401 9.949 -0.913 1.00 0.00 O ATOM 0 H GLY A 631 -14.447 7.494 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.993 9.228 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.330 10.307 -3.296 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.038 7.813 -1.233 1.00 0.00 N ATOM 1034 CA ASN A 632 -13.901 7.441 0.171 1.00 0.00 C ATOM 1035 C ASN A 632 -12.691 6.536 0.373 1.00 0.00 C ATOM 1036 O ASN A 632 -12.333 5.759 -0.512 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.168 6.736 0.657 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.426 7.334 0.060 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.233 6.632 -0.548 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -16.598 8.640 0.231 1.00 0.00 N ATOM 0 H ASN A 632 -14.348 7.055 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 632 -13.755 8.351 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.114 5.678 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.220 6.797 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.426 9.099 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -15.902 9.183 0.742 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.062 6.642 1.539 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.891 5.831 1.848 1.00 0.00 C ATOM 1049 C VAL A 633 -10.943 5.299 3.275 1.00 0.00 C ATOM 1050 O VAL A 633 -11.448 5.965 4.181 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.588 6.631 1.661 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.344 6.922 0.188 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.635 7.918 2.465 1.00 0.00 C ATOM 0 H VAL A 633 -12.343 7.280 2.284 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.901 4.992 1.152 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.757 6.029 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.419 7.488 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.263 5.983 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.175 7.504 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.707 8.471 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.475 8.526 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.757 7.682 3.522 1.00 0.00 H new ATOM 1063 N SER A 634 -10.409 4.096 3.469 1.00 0.00 N ATOM 1064 CA SER A 634 -10.384 3.472 4.786 1.00 0.00 C ATOM 1065 C SER A 634 -9.160 3.928 5.571 1.00 0.00 C ATOM 1066 O SER A 634 -8.497 4.894 5.195 1.00 0.00 O ATOM 1067 CB SER A 634 -10.383 1.949 4.652 1.00 0.00 C ATOM 1068 OG SER A 634 -11.171 1.347 5.665 1.00 0.00 O ATOM 0 H SER A 634 -9.988 3.534 2.729 1.00 0.00 H new ATOM 0 HA SER A 634 -11.279 3.778 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.768 1.667 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.361 1.576 4.713 1.00 0.00 H new ATOM 0 HG SER A 634 -12.046 1.102 5.297 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.861 3.228 6.660 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.711 3.566 7.490 1.00 0.00 C ATOM 1076 C ALA A 635 -6.427 2.996 6.895 1.00 0.00 C ATOM 1077 O ALA A 635 -6.469 2.199 5.960 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.914 3.052 8.908 1.00 0.00 C ATOM 0 H ALA A 635 -9.398 2.425 6.988 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.618 4.652 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.048 3.311 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.807 3.507 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.033 1.969 8.889 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.290 3.409 7.443 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.000 2.934 6.959 1.00 0.00 C ATOM 1086 C ALA A 636 -3.684 1.552 7.521 1.00 0.00 C ATOM 1087 O ALA A 636 -3.881 1.293 8.709 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.900 3.920 7.317 1.00 0.00 C ATOM 0 H ALA A 636 -5.235 4.069 8.219 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.053 2.855 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.944 3.549 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.115 4.886 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.851 4.033 8.400 1.00 0.00 H new ATOM 1094 N SER A 637 -3.199 0.669 6.656 1.00 0.00 N ATOM 1095 CA SER A 637 -2.859 -0.692 7.055 1.00 0.00 C ATOM 1096 C SER A 637 -1.648 -0.715 7.978 1.00 0.00 C ATOM 1097 O SER A 637 -1.130 0.330 8.369 1.00 0.00 O ATOM 1098 CB SER A 637 -2.583 -1.547 5.824 1.00 0.00 C ATOM 1099 OG SER A 637 -3.340 -2.742 5.852 1.00 0.00 O ATOM 0 H SER A 637 -3.032 0.872 5.670 1.00 0.00 H new ATOM 0 HA SER A 637 -3.710 -1.101 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.824 -0.982 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.521 -1.787 5.775 1.00 0.00 H new ATOM 0 HG SER A 637 -4.248 -2.547 6.166 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.202 -1.922 8.317 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.049 -2.097 9.190 1.00 0.00 C ATOM 1107 C ASN A 638 1.201 -1.494 8.559 1.00 0.00 C ATOM 1108 O ASN A 638 1.395 -1.572 7.345 1.00 0.00 O ATOM 1109 CB ASN A 638 0.176 -3.583 9.476 1.00 0.00 C ATOM 1110 CG ASN A 638 0.274 -3.880 10.959 1.00 0.00 C ATOM 1111 OD1 ASN A 638 1.269 -4.432 11.430 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.764 -3.515 11.706 1.00 0.00 N ATOM 0 H ASN A 638 -1.624 -2.794 7.998 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.248 -1.580 10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.643 -4.160 9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.091 -3.910 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.756 -3.690 12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.568 -3.060 11.274 1.00 0.00 H new ATOM 1119 N ALA A 639 2.045 -0.892 9.388 1.00 0.00 N ATOM 1120 CA ALA A 639 3.274 -0.274 8.911 1.00 0.00 C ATOM 1121 C ALA A 639 4.375 -1.311 8.726 1.00 0.00 C ATOM 1122 O ALA A 639 4.730 -2.027 9.663 1.00 0.00 O ATOM 1123 CB ALA A 639 3.727 0.813 9.874 1.00 0.00 C ATOM 0 H ALA A 639 1.900 -0.819 10.395 1.00 0.00 H new ATOM 0 HA ALA A 639 3.070 0.178 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.647 1.266 9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.952 1.576 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.907 0.377 10.857 1.00 0.00 H new ATOM 1129 N VAL A 640 4.911 -1.385 7.514 1.00 0.00 N ATOM 1130 CA VAL A 640 5.973 -2.333 7.205 1.00 0.00 C ATOM 1131 C VAL A 640 7.335 -1.646 7.232 1.00 0.00 C ATOM 1132 O VAL A 640 7.462 -0.485 6.849 1.00 0.00 O ATOM 1133 CB VAL A 640 5.757 -2.994 5.827 1.00 0.00 C ATOM 1134 CG1 VAL A 640 6.039 -2.011 4.699 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.624 -4.237 5.691 1.00 0.00 C ATOM 0 H VAL A 640 4.627 -0.799 6.729 1.00 0.00 H new ATOM 0 HA VAL A 640 5.946 -3.109 7.970 1.00 0.00 H new ATOM 0 HB VAL A 640 4.712 -3.294 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.879 -2.503 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.368 -1.156 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 640 7.072 -1.669 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.459 -4.690 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.674 -3.961 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.361 -4.951 6.471 1.00 0.00 H new ATOM 1145 N SER A 641 8.350 -2.370 7.689 1.00 0.00 N ATOM 1146 CA SER A 641 9.700 -1.825 7.765 1.00 0.00 C ATOM 1147 C SER A 641 10.659 -2.627 6.893 1.00 0.00 C ATOM 1148 O SER A 641 10.984 -3.774 7.205 1.00 0.00 O ATOM 1149 CB SER A 641 10.191 -1.820 9.214 1.00 0.00 C ATOM 1150 OG SER A 641 11.174 -0.821 9.417 1.00 0.00 O ATOM 0 H SER A 641 8.264 -3.334 8.012 1.00 0.00 H new ATOM 0 HA SER A 641 9.672 -0.800 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.350 -1.648 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.604 -2.797 9.464 1.00 0.00 H new ATOM 0 HG SER A 641 11.470 -0.838 10.351 1.00 0.00 H new ATOM 1156 N VAL A 642 11.107 -2.019 5.800 1.00 0.00 N ATOM 1157 CA VAL A 642 12.027 -2.680 4.883 1.00 0.00 C ATOM 1158 C VAL A 642 13.287 -1.848 4.669 1.00 0.00 C ATOM 1159 O VAL A 642 13.216 -0.637 4.449 1.00 0.00 O ATOM 1160 CB VAL A 642 11.364 -2.947 3.518 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.400 -4.120 3.612 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.653 -1.700 3.016 1.00 0.00 C ATOM 0 H VAL A 642 10.848 -1.071 5.528 1.00 0.00 H new ATOM 0 HA VAL A 642 12.298 -3.631 5.340 1.00 0.00 H new ATOM 0 HB VAL A 642 12.143 -3.205 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.942 -4.293 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.943 -5.013 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.624 -3.895 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.191 -1.908 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.884 -1.407 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.374 -0.890 2.906 1.00 0.00 H new ATOM 1172 N LYS A 643 14.440 -2.507 4.731 1.00 0.00 N ATOM 1173 CA LYS A 643 15.720 -1.835 4.543 1.00 0.00 C ATOM 1174 C LYS A 643 16.198 -1.978 3.102 1.00 0.00 C ATOM 1175 O LYS A 643 16.472 -3.084 2.636 1.00 0.00 O ATOM 1176 CB LYS A 643 16.769 -2.412 5.498 1.00 0.00 C ATOM 1177 CG LYS A 643 17.107 -1.493 6.659 1.00 0.00 C ATOM 1178 CD LYS A 643 18.513 -1.745 7.181 1.00 0.00 C ATOM 1179 CE LYS A 643 19.560 -1.077 6.304 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.875 -0.969 6.993 1.00 0.00 N ATOM 0 H LYS A 643 14.513 -3.508 4.911 1.00 0.00 H new ATOM 0 HA LYS A 643 15.583 -0.776 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.406 -3.362 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.679 -2.626 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.017 -0.455 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.387 -1.643 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.597 -1.369 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.701 -2.818 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.679 -1.647 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.216 -0.082 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.561 -0.508 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 20.768 -0.404 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.216 -1.920 7.240 1.00 0.00 H new ATOM 1194 N THR A 644 16.297 -0.853 2.400 1.00 0.00 N ATOM 1195 CA THR A 644 16.743 -0.857 1.012 1.00 0.00 C ATOM 1196 C THR A 644 18.264 -0.829 0.927 1.00 0.00 C ATOM 1197 O THR A 644 18.811 -1.359 -0.064 1.00 0.00 O ATOM 1198 CB THR A 644 16.174 0.342 0.234 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.387 1.550 0.972 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.686 0.159 -0.032 1.00 0.00 C ATOM 1201 OXT THR A 644 18.897 -0.278 1.851 1.00 0.00 O ATOM 0 H THR A 644 16.075 0.071 2.769 1.00 0.00 H new ATOM 0 HA THR A 644 16.372 -1.778 0.563 1.00 0.00 H new ATOM 0 HB THR A 644 16.692 0.405 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.797 2.222 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.306 1.019 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.530 -0.746 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.155 0.072 0.916 1.00 0.00 H new