USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 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 27 THR OG1 : rot -76:sc= -0.278 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.419 K(o=0.14,f=-0.46) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc=-0.00384 (180deg=-0.173) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 43 THR OG1 : rot 39:sc= 0.156 USER MOD Single : A 47 ASN :FLIP amide:sc=-0.00152 F(o=-1.1,f=-0.0015) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 57:sc= 1.16 USER MOD Single : A 67 SER OG : rot 160:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.028 USER MOD Single : A 73 THR OG1 : rot 45:sc= 0.0821 USER MOD Single : A 74 SER OG : rot 180:sc= -0.024 USER MOD Single : A 81 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.0036) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0639) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 2.918 -0.852 -3.918 1.00 0.00 N ATOM 20 CA ALA A 22 2.228 -2.019 -4.502 1.00 0.00 C ATOM 21 C ALA A 22 2.893 -2.345 -5.847 1.00 0.00 C ATOM 22 O ALA A 22 3.194 -1.424 -6.622 1.00 0.00 O ATOM 23 CB ALA A 22 0.717 -1.771 -4.698 1.00 0.00 C ATOM 0 HA ALA A 22 2.317 -2.858 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.256 -2.659 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.256 -1.555 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.571 -0.924 -5.368 1.00 0.00 H new ATOM 29 N ALA A 23 3.130 -3.641 -6.116 1.00 0.00 N ATOM 30 CA ALA A 23 3.790 -4.087 -7.358 1.00 0.00 C ATOM 31 C ALA A 23 2.897 -3.816 -8.586 1.00 0.00 C ATOM 32 O ALA A 23 1.792 -4.370 -8.695 1.00 0.00 O ATOM 33 CB ALA A 23 4.150 -5.571 -7.273 1.00 0.00 C ATOM 0 H ALA A 23 2.873 -4.402 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 23 4.710 -3.514 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.636 -5.881 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.828 -5.734 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.243 -6.157 -7.125 1.00 0.00 H new ATOM 39 N THR A 24 3.376 -2.930 -9.477 1.00 0.00 N ATOM 40 CA THR A 24 2.678 -2.563 -10.718 1.00 0.00 C ATOM 41 C THR A 24 2.639 -3.755 -11.694 1.00 0.00 C ATOM 42 O THR A 24 3.638 -4.476 -11.838 1.00 0.00 O ATOM 43 CB THR A 24 3.389 -1.343 -11.399 1.00 0.00 C ATOM 44 OG1 THR A 24 3.487 -0.264 -10.453 1.00 0.00 O ATOM 45 CG2 THR A 24 2.650 -0.850 -12.667 1.00 0.00 C ATOM 0 H THR A 24 4.265 -2.446 -9.353 1.00 0.00 H new ATOM 0 HA THR A 24 1.655 -2.286 -10.465 1.00 0.00 H new ATOM 0 HB THR A 24 4.378 -1.676 -11.712 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.933 0.501 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.188 -0.004 -13.096 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.602 -1.658 -13.397 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.639 -0.540 -12.402 1.00 0.00 H new ATOM 53 N GLU A 25 1.479 -3.977 -12.341 1.00 0.00 N ATOM 54 CA GLU A 25 1.345 -5.033 -13.349 1.00 0.00 C ATOM 55 C GLU A 25 2.089 -4.606 -14.620 1.00 0.00 C ATOM 56 O GLU A 25 1.764 -3.579 -15.230 1.00 0.00 O ATOM 57 CB GLU A 25 -0.141 -5.348 -13.661 1.00 0.00 C ATOM 58 CG GLU A 25 -0.340 -6.569 -14.586 1.00 0.00 C ATOM 59 CD GLU A 25 -1.811 -6.863 -14.922 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.538 -7.384 -14.046 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.246 -6.572 -16.060 1.00 0.00 O ATOM 0 H GLU A 25 0.627 -3.439 -12.181 1.00 0.00 H new ATOM 0 HA GLU A 25 1.784 -5.949 -12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.670 -5.524 -12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.598 -4.474 -14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.208 -6.403 -15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.096 -7.447 -14.111 1.00 0.00 H new ATOM 68 N LEU A 26 3.098 -5.390 -14.984 1.00 0.00 N ATOM 69 CA LEU A 26 3.979 -5.115 -16.118 1.00 0.00 C ATOM 70 C LEU A 26 3.330 -5.667 -17.405 1.00 0.00 C ATOM 71 O LEU A 26 2.641 -6.696 -17.355 1.00 0.00 O ATOM 72 CB LEU A 26 5.370 -5.776 -15.858 1.00 0.00 C ATOM 73 CG LEU A 26 6.579 -5.141 -16.598 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.862 -3.709 -16.083 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.835 -6.031 -16.500 1.00 0.00 C ATOM 0 H LEU A 26 3.333 -6.252 -14.491 1.00 0.00 H new ATOM 0 HA LEU A 26 4.126 -4.042 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.569 -5.745 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.308 -6.827 -16.141 1.00 0.00 H new ATOM 0 HG LEU A 26 6.315 -5.068 -17.653 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.714 -3.291 -16.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.985 -3.083 -16.249 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.087 -3.743 -15.017 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.661 -5.555 -17.029 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.105 -6.165 -15.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.628 -7.002 -16.949 1.00 0.00 H new ATOM 87 N THR A 27 3.518 -4.972 -18.538 1.00 0.00 N ATOM 88 CA THR A 27 3.001 -5.425 -19.848 1.00 0.00 C ATOM 89 C THR A 27 4.000 -6.414 -20.500 1.00 0.00 C ATOM 90 O THR A 27 5.182 -6.400 -20.140 1.00 0.00 O ATOM 91 CB THR A 27 2.726 -4.208 -20.802 1.00 0.00 C ATOM 92 OG1 THR A 27 3.935 -3.468 -21.011 1.00 0.00 O ATOM 93 CG2 THR A 27 1.630 -3.280 -20.245 1.00 0.00 C ATOM 0 H THR A 27 4.027 -4.089 -18.577 1.00 0.00 H new ATOM 0 HA THR A 27 2.053 -5.937 -19.683 1.00 0.00 H new ATOM 0 HB THR A 27 2.371 -4.605 -21.753 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.127 -2.924 -20.219 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.470 -2.451 -20.934 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.702 -3.841 -20.130 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.941 -2.891 -19.276 1.00 0.00 H new ATOM 101 N PRO A 28 3.542 -7.304 -21.454 1.00 0.00 N ATOM 102 CA PRO A 28 4.442 -8.253 -22.173 1.00 0.00 C ATOM 103 C PRO A 28 5.598 -7.555 -22.933 1.00 0.00 C ATOM 104 O PRO A 28 6.662 -8.152 -23.112 1.00 0.00 O ATOM 105 CB PRO A 28 3.488 -9.004 -23.148 1.00 0.00 C ATOM 106 CG PRO A 28 2.258 -8.151 -23.229 1.00 0.00 C ATOM 107 CD PRO A 28 2.123 -7.502 -21.874 1.00 0.00 C ATOM 0 HA PRO A 28 4.957 -8.915 -21.477 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.946 -9.129 -24.129 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.252 -10.002 -22.777 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.352 -7.401 -24.015 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.380 -8.752 -23.465 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.583 -6.557 -21.931 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.580 -8.137 -21.174 1.00 0.00 H new ATOM 115 N GLU A 29 5.371 -6.295 -23.370 1.00 0.00 N ATOM 116 CA GLU A 29 6.403 -5.483 -24.047 1.00 0.00 C ATOM 117 C GLU A 29 7.533 -5.114 -23.065 1.00 0.00 C ATOM 118 O GLU A 29 8.716 -5.231 -23.393 1.00 0.00 O ATOM 119 CB GLU A 29 5.777 -4.202 -24.666 1.00 0.00 C ATOM 120 CG GLU A 29 6.768 -3.339 -25.482 1.00 0.00 C ATOM 121 CD GLU A 29 6.118 -2.122 -26.155 1.00 0.00 C ATOM 122 OE1 GLU A 29 5.489 -2.290 -27.222 1.00 0.00 O ATOM 123 OE2 GLU A 29 6.236 -0.994 -25.629 1.00 0.00 O ATOM 0 H GLU A 29 4.476 -5.818 -23.264 1.00 0.00 H new ATOM 0 HA GLU A 29 6.830 -6.078 -24.854 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.949 -4.492 -25.312 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.358 -3.593 -23.865 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.565 -2.996 -24.823 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.233 -3.961 -26.247 1.00 0.00 H new ATOM 130 N GLN A 30 7.148 -4.685 -21.849 1.00 0.00 N ATOM 131 CA GLN A 30 8.108 -4.323 -20.783 1.00 0.00 C ATOM 132 C GLN A 30 8.787 -5.580 -20.201 1.00 0.00 C ATOM 133 O GLN A 30 9.914 -5.512 -19.709 1.00 0.00 O ATOM 134 CB GLN A 30 7.392 -3.549 -19.661 1.00 0.00 C ATOM 135 CG GLN A 30 6.711 -2.249 -20.087 1.00 0.00 C ATOM 136 CD GLN A 30 5.997 -1.567 -18.925 1.00 0.00 C ATOM 137 OE1 GLN A 30 4.820 -1.826 -18.659 1.00 0.00 O ATOM 138 NE2 GLN A 30 6.710 -0.712 -18.207 1.00 0.00 N ATOM 0 H GLN A 30 6.171 -4.579 -21.576 1.00 0.00 H new ATOM 0 HA GLN A 30 8.877 -3.688 -21.223 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.642 -4.202 -19.215 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.119 -3.319 -18.882 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.455 -1.570 -20.503 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.993 -2.459 -20.880 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.681 -0.522 -18.456 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.288 -0.244 -17.405 1.00 0.00 H new ATOM 147 N ALA A 31 8.071 -6.718 -20.253 1.00 0.00 N ATOM 148 CA ALA A 31 8.597 -8.029 -19.816 1.00 0.00 C ATOM 149 C ALA A 31 9.589 -8.591 -20.851 1.00 0.00 C ATOM 150 O ALA A 31 10.421 -9.435 -20.528 1.00 0.00 O ATOM 151 CB ALA A 31 7.438 -9.011 -19.572 1.00 0.00 C ATOM 0 H ALA A 31 7.112 -6.757 -20.598 1.00 0.00 H new ATOM 0 HA ALA A 31 9.136 -7.894 -18.878 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.838 -9.973 -19.251 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.782 -8.614 -18.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.873 -9.143 -20.494 1.00 0.00 H new ATOM 157 N ALA A 32 9.464 -8.127 -22.103 1.00 0.00 N ATOM 158 CA ALA A 32 10.410 -8.448 -23.187 1.00 0.00 C ATOM 159 C ALA A 32 11.611 -7.481 -23.162 1.00 0.00 C ATOM 160 O ALA A 32 12.716 -7.836 -23.596 1.00 0.00 O ATOM 161 CB ALA A 32 9.684 -8.391 -24.539 1.00 0.00 C ATOM 0 H ALA A 32 8.702 -7.516 -22.395 1.00 0.00 H new ATOM 0 HA ALA A 32 10.794 -9.457 -23.040 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.385 -8.629 -25.339 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.868 -9.114 -24.545 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.282 -7.390 -24.694 1.00 0.00 H new ATOM 167 N ALA A 33 11.368 -6.254 -22.659 1.00 0.00 N ATOM 168 CA ALA A 33 12.398 -5.204 -22.529 1.00 0.00 C ATOM 169 C ALA A 33 13.371 -5.533 -21.386 1.00 0.00 C ATOM 170 O ALA A 33 14.594 -5.474 -21.552 1.00 0.00 O ATOM 171 CB ALA A 33 11.734 -3.836 -22.292 1.00 0.00 C ATOM 0 H ALA A 33 10.448 -5.962 -22.330 1.00 0.00 H new ATOM 0 HA ALA A 33 12.967 -5.162 -23.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.503 -3.070 -22.198 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.084 -3.596 -23.134 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.143 -3.872 -21.377 1.00 0.00 H new ATOM 177 N LEU A 34 12.798 -5.881 -20.228 1.00 0.00 N ATOM 178 CA LEU A 34 13.542 -6.229 -19.007 1.00 0.00 C ATOM 179 C LEU A 34 13.516 -7.748 -18.784 1.00 0.00 C ATOM 180 O LEU A 34 12.731 -8.462 -19.412 1.00 0.00 O ATOM 181 CB LEU A 34 12.906 -5.508 -17.783 1.00 0.00 C ATOM 182 CG LEU A 34 12.884 -3.946 -17.838 1.00 0.00 C ATOM 183 CD1 LEU A 34 12.107 -3.356 -16.638 1.00 0.00 C ATOM 184 CD2 LEU A 34 14.320 -3.368 -17.928 1.00 0.00 C ATOM 0 H LEU A 34 11.786 -5.930 -20.109 1.00 0.00 H new ATOM 0 HA LEU A 34 14.577 -5.907 -19.120 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.881 -5.862 -17.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.447 -5.812 -16.887 1.00 0.00 H new ATOM 0 HG LEU A 34 12.357 -3.651 -18.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.109 -2.268 -16.703 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.079 -3.719 -16.656 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.585 -3.665 -15.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.273 -2.280 -17.965 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.892 -3.677 -17.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.806 -3.741 -18.830 1.00 0.00 H new ATOM 196 N LYS A 35 14.379 -8.228 -17.886 1.00 0.00 N ATOM 197 CA LYS A 35 14.363 -9.620 -17.407 1.00 0.00 C ATOM 198 C LYS A 35 14.112 -9.605 -15.882 1.00 0.00 C ATOM 199 O LYS A 35 14.487 -8.633 -15.202 1.00 0.00 O ATOM 200 CB LYS A 35 15.696 -10.340 -17.760 1.00 0.00 C ATOM 201 CG LYS A 35 16.953 -9.734 -17.108 1.00 0.00 C ATOM 202 CD LYS A 35 18.247 -10.464 -17.518 1.00 0.00 C ATOM 203 CE LYS A 35 19.495 -9.830 -16.887 1.00 0.00 C ATOM 204 NZ LYS A 35 19.652 -8.399 -17.276 1.00 0.00 N ATOM 0 H LYS A 35 15.115 -7.661 -17.465 1.00 0.00 H new ATOM 0 HA LYS A 35 13.565 -10.177 -17.898 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.618 -11.385 -17.461 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.824 -10.327 -18.842 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.030 -8.683 -17.386 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.848 -9.770 -16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.182 -11.510 -17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.343 -10.448 -18.604 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.431 -9.906 -15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.380 -10.388 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.599 -8.067 -17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.536 -8.304 -18.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.931 -7.827 -16.792 1.00 0.00 H new ATOM 218 N PRO A 36 13.444 -10.653 -15.313 1.00 0.00 N ATOM 219 CA PRO A 36 13.149 -10.718 -13.867 1.00 0.00 C ATOM 220 C PRO A 36 14.370 -11.171 -13.054 1.00 0.00 C ATOM 221 O PRO A 36 15.355 -11.677 -13.616 1.00 0.00 O ATOM 222 CB PRO A 36 12.015 -11.754 -13.809 1.00 0.00 C ATOM 223 CG PRO A 36 12.331 -12.701 -14.927 1.00 0.00 C ATOM 224 CD PRO A 36 12.934 -11.858 -16.026 1.00 0.00 C ATOM 0 HA PRO A 36 12.881 -9.753 -13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.991 -12.266 -12.847 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.040 -11.286 -13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.028 -13.473 -14.600 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.432 -13.210 -15.274 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.736 -12.387 -16.541 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.192 -11.593 -16.779 1.00 0.00 H new ATOM 232 N TYR A 37 14.305 -10.980 -11.728 1.00 0.00 N ATOM 233 CA TYR A 37 15.355 -11.456 -10.815 1.00 0.00 C ATOM 234 C TYR A 37 14.945 -12.813 -10.218 1.00 0.00 C ATOM 235 O TYR A 37 15.736 -13.762 -10.199 1.00 0.00 O ATOM 236 CB TYR A 37 15.695 -10.391 -9.727 1.00 0.00 C ATOM 237 CG TYR A 37 14.584 -9.992 -8.728 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.594 -9.059 -9.059 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.559 -10.517 -7.433 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.634 -8.672 -8.135 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.598 -10.140 -6.516 1.00 0.00 C ATOM 242 CZ TYR A 37 12.641 -9.221 -6.866 1.00 0.00 C ATOM 243 OH TYR A 37 11.685 -8.849 -5.942 1.00 0.00 O ATOM 0 H TYR A 37 13.535 -10.498 -11.263 1.00 0.00 H new ATOM 0 HA TYR A 37 16.277 -11.606 -11.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.544 -10.761 -9.152 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.026 -9.486 -10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.577 -8.633 -10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.311 -11.236 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.884 -7.944 -8.406 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.600 -10.568 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 37 11.836 -9.331 -5.102 1.00 0.00 H new ATOM 253 N ASP A 38 13.679 -12.902 -9.780 1.00 0.00 N ATOM 254 CA ASP A 38 13.092 -14.127 -9.202 1.00 0.00 C ATOM 255 C ASP A 38 11.648 -14.296 -9.695 1.00 0.00 C ATOM 256 O ASP A 38 11.205 -13.564 -10.591 1.00 0.00 O ATOM 257 CB ASP A 38 13.155 -14.092 -7.641 1.00 0.00 C ATOM 258 CG ASP A 38 14.549 -14.455 -7.085 1.00 0.00 C ATOM 259 OD1 ASP A 38 14.811 -15.651 -6.833 1.00 0.00 O ATOM 260 OD2 ASP A 38 15.394 -13.550 -6.908 1.00 0.00 O ATOM 0 H ASP A 38 13.026 -12.119 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 38 13.674 -14.987 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.880 -13.096 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.417 -14.785 -7.237 1.00 0.00 H new ATOM 265 N ARG A 39 10.943 -15.301 -9.150 1.00 0.00 N ATOM 266 CA ARG A 39 9.491 -15.481 -9.360 1.00 0.00 C ATOM 267 C ARG A 39 8.784 -15.520 -8.002 1.00 0.00 C ATOM 268 O ARG A 39 9.435 -15.556 -6.948 1.00 0.00 O ATOM 269 CB ARG A 39 9.166 -16.795 -10.134 1.00 0.00 C ATOM 270 CG ARG A 39 9.985 -17.037 -11.418 1.00 0.00 C ATOM 271 CD ARG A 39 9.422 -18.189 -12.272 1.00 0.00 C ATOM 272 NE ARG A 39 10.368 -18.611 -13.328 1.00 0.00 N ATOM 273 CZ ARG A 39 10.109 -18.677 -14.644 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.974 -18.207 -15.148 1.00 0.00 N ATOM 275 NH2 ARG A 39 11.021 -19.172 -15.464 1.00 0.00 N ATOM 0 H ARG A 39 11.361 -16.013 -8.551 1.00 0.00 H new ATOM 0 HA ARG A 39 9.140 -14.641 -9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.322 -17.639 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.108 -16.788 -10.396 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.000 -16.123 -12.012 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.018 -17.260 -11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.194 -19.039 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.484 -17.876 -12.730 1.00 0.00 H new ATOM 0 HE ARG A 39 11.306 -18.877 -13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.278 -17.786 -14.532 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.798 -18.267 -16.151 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.914 -19.500 -15.096 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.832 -19.225 -16.465 1.00 0.00 H new ATOM 289 N ILE A 40 7.444 -15.502 -8.050 1.00 0.00 N ATOM 290 CA ILE A 40 6.569 -15.758 -6.896 1.00 0.00 C ATOM 291 C ILE A 40 5.393 -16.631 -7.372 1.00 0.00 C ATOM 292 O ILE A 40 4.867 -16.428 -8.477 1.00 0.00 O ATOM 293 CB ILE A 40 6.024 -14.433 -6.224 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.257 -13.549 -7.250 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.157 -13.625 -5.542 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.666 -12.287 -6.666 1.00 0.00 C ATOM 0 H ILE A 40 6.928 -15.305 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 40 7.156 -16.266 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 40 5.322 -14.737 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.937 -13.278 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.456 -14.140 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.741 -12.723 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.623 -14.234 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.905 -13.349 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.150 -11.731 -7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.958 -12.547 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.463 -11.671 -6.249 1.00 0.00 H new ATOM 308 N VAL A 41 5.010 -17.628 -6.561 1.00 0.00 N ATOM 309 CA VAL A 41 3.908 -18.547 -6.887 1.00 0.00 C ATOM 310 C VAL A 41 2.872 -18.516 -5.757 1.00 0.00 C ATOM 311 O VAL A 41 3.214 -18.713 -4.587 1.00 0.00 O ATOM 312 CB VAL A 41 4.395 -20.032 -7.112 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.222 -20.940 -7.583 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.585 -20.091 -8.106 1.00 0.00 C ATOM 0 H VAL A 41 5.454 -17.820 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 41 3.469 -18.207 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 41 4.748 -20.414 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.586 -21.957 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.437 -20.941 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.821 -20.559 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.897 -21.127 -8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.277 -19.678 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.418 -19.509 -7.711 1.00 0.00 H new ATOM 324 N ILE A 42 1.618 -18.228 -6.119 1.00 0.00 N ATOM 325 CA ILE A 42 0.459 -18.312 -5.212 1.00 0.00 C ATOM 326 C ILE A 42 -0.531 -19.356 -5.767 1.00 0.00 C ATOM 327 O ILE A 42 -0.308 -19.927 -6.843 1.00 0.00 O ATOM 328 CB ILE A 42 -0.267 -16.914 -5.057 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.829 -16.423 -6.428 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.679 -15.855 -4.429 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.699 -15.182 -6.362 1.00 0.00 C ATOM 0 H ILE A 42 1.372 -17.926 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 42 0.813 -18.608 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.108 -17.049 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.009 -16.225 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.409 -17.230 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.151 -14.906 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.998 -16.191 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.553 -15.723 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.039 -14.922 -7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.562 -15.376 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.122 -14.355 -5.949 1.00 0.00 H new ATOM 343 N THR A 43 -1.605 -19.623 -5.014 1.00 0.00 N ATOM 344 CA THR A 43 -2.741 -20.436 -5.476 1.00 0.00 C ATOM 345 C THR A 43 -4.037 -19.681 -5.182 1.00 0.00 C ATOM 346 O THR A 43 -4.379 -19.463 -4.015 1.00 0.00 O ATOM 347 CB THR A 43 -2.776 -21.850 -4.799 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.611 -21.734 -3.373 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.701 -22.786 -5.362 1.00 0.00 C ATOM 0 H THR A 43 -1.713 -19.279 -4.060 1.00 0.00 H new ATOM 0 HA THR A 43 -2.629 -20.601 -6.548 1.00 0.00 H new ATOM 0 HB THR A 43 -3.752 -22.282 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.103 -20.951 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.763 -23.753 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.858 -22.919 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.716 -22.353 -5.191 1.00 0.00 H new ATOM 357 N GLY A 44 -4.743 -19.270 -6.247 1.00 0.00 N ATOM 358 CA GLY A 44 -6.045 -18.616 -6.120 1.00 0.00 C ATOM 359 C GLY A 44 -7.154 -19.629 -5.874 1.00 0.00 C ATOM 360 O GLY A 44 -8.054 -19.785 -6.689 1.00 0.00 O ATOM 0 H GLY A 44 -4.427 -19.382 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.016 -17.900 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.260 -18.052 -7.027 1.00 0.00 H new ATOM 364 N ARG A 45 -7.078 -20.301 -4.712 1.00 0.00 N ATOM 365 CA ARG A 45 -7.951 -21.438 -4.359 1.00 0.00 C ATOM 366 C ARG A 45 -9.424 -20.996 -4.259 1.00 0.00 C ATOM 367 O ARG A 45 -9.834 -20.431 -3.244 1.00 0.00 O ATOM 368 CB ARG A 45 -7.463 -22.072 -3.025 1.00 0.00 C ATOM 369 CG ARG A 45 -8.195 -23.368 -2.612 1.00 0.00 C ATOM 370 CD ARG A 45 -7.727 -23.908 -1.253 1.00 0.00 C ATOM 371 NE ARG A 45 -8.367 -25.202 -0.920 1.00 0.00 N ATOM 372 CZ ARG A 45 -7.849 -26.131 -0.101 1.00 0.00 C ATOM 373 NH1 ARG A 45 -6.647 -25.961 0.446 1.00 0.00 N ATOM 374 NH2 ARG A 45 -8.518 -27.249 0.143 1.00 0.00 N ATOM 0 H ARG A 45 -6.403 -20.069 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.892 -22.188 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.398 -22.286 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.578 -21.338 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.267 -23.177 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.035 -24.129 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.644 -24.032 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.956 -23.180 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.272 -25.403 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.109 -25.118 0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.264 -26.674 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.428 -27.404 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.123 -27.954 0.765 1.00 0.00 H new ATOM 388 N PHE A 46 -10.167 -21.188 -5.367 1.00 0.00 N ATOM 389 CA PHE A 46 -11.592 -20.786 -5.512 1.00 0.00 C ATOM 390 C PHE A 46 -11.760 -19.241 -5.416 1.00 0.00 C ATOM 391 O PHE A 46 -12.866 -18.719 -5.238 1.00 0.00 O ATOM 392 CB PHE A 46 -12.486 -21.556 -4.487 1.00 0.00 C ATOM 393 CG PHE A 46 -14.000 -21.438 -4.709 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.576 -21.821 -5.923 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.846 -20.943 -3.712 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.943 -21.714 -6.128 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.210 -20.839 -3.921 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.759 -21.224 -5.127 1.00 0.00 C ATOM 0 H PHE A 46 -9.793 -21.634 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.932 -21.067 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.214 -22.611 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.254 -21.194 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.948 -22.206 -6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.429 -20.637 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.371 -22.015 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.847 -20.455 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.824 -21.142 -5.288 1.00 0.00 H new ATOM 408 N ASN A 47 -10.638 -18.516 -5.568 1.00 0.00 N ATOM 409 CA ASN A 47 -10.610 -17.043 -5.588 1.00 0.00 C ATOM 410 C ASN A 47 -10.815 -16.544 -7.012 1.00 0.00 C ATOM 411 O ASN A 47 -10.532 -17.261 -7.984 1.00 0.00 O ATOM 412 CB ASN A 47 -9.259 -16.499 -5.022 1.00 0.00 C ATOM 413 CG ASN A 47 -9.090 -16.624 -3.500 1.00 0.00 C ATOM 414 OD1 ASN A 47 -9.639 -17.665 -2.899 1.00 0.00 O flip ATOM 415 ND2 ASN A 47 -8.443 -15.785 -2.869 1.00 0.00 N flip ATOM 0 H ASN A 47 -9.717 -18.940 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.417 -16.676 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.440 -17.030 -5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.165 -15.448 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.028 -14.990 -3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.322 -15.886 -1.861 1.00 0.00 H new ATOM 422 N ALA A 48 -11.303 -15.305 -7.120 1.00 0.00 N ATOM 423 CA ALA A 48 -11.478 -14.630 -8.405 1.00 0.00 C ATOM 424 C ALA A 48 -10.114 -14.192 -8.967 1.00 0.00 C ATOM 425 O ALA A 48 -9.124 -14.095 -8.222 1.00 0.00 O ATOM 426 CB ALA A 48 -12.428 -13.437 -8.247 1.00 0.00 C ATOM 0 H ALA A 48 -11.587 -14.743 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.924 -15.324 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.552 -12.941 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.397 -13.788 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.011 -12.733 -7.527 1.00 0.00 H new ATOM 432 N ILE A 49 -10.079 -13.927 -10.284 1.00 0.00 N ATOM 433 CA ILE A 49 -8.850 -13.524 -10.999 1.00 0.00 C ATOM 434 C ILE A 49 -8.278 -12.209 -10.415 1.00 0.00 C ATOM 435 O ILE A 49 -7.068 -12.080 -10.264 1.00 0.00 O ATOM 436 CB ILE A 49 -9.092 -13.390 -12.557 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.771 -13.028 -13.333 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.223 -12.377 -12.863 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.652 -14.057 -13.212 1.00 0.00 C ATOM 0 H ILE A 49 -10.901 -13.985 -10.885 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.114 -14.315 -10.851 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.412 -14.368 -12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.011 -12.897 -14.388 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.404 -12.069 -12.968 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.366 -12.306 -13.941 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.149 -12.713 -12.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.951 -11.398 -12.468 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.785 -13.720 -13.780 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.377 -14.174 -12.164 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.994 -15.014 -13.606 1.00 0.00 H new ATOM 451 N GLY A 50 -9.177 -11.280 -10.028 1.00 0.00 N ATOM 452 CA GLY A 50 -8.790 -10.004 -9.409 1.00 0.00 C ATOM 453 C GLY A 50 -8.146 -10.181 -8.039 1.00 0.00 C ATOM 454 O GLY A 50 -7.230 -9.438 -7.681 1.00 0.00 O ATOM 0 H GLY A 50 -10.185 -11.396 -10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.095 -9.483 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.672 -9.371 -9.311 1.00 0.00 H new ATOM 458 N ASP A 51 -8.636 -11.179 -7.279 1.00 0.00 N ATOM 459 CA ASP A 51 -8.082 -11.548 -5.954 1.00 0.00 C ATOM 460 C ASP A 51 -6.692 -12.176 -6.102 1.00 0.00 C ATOM 461 O ASP A 51 -5.809 -11.940 -5.270 1.00 0.00 O ATOM 462 CB ASP A 51 -9.025 -12.530 -5.212 1.00 0.00 C ATOM 463 CG ASP A 51 -10.331 -11.865 -4.769 1.00 0.00 C ATOM 464 OD1 ASP A 51 -11.230 -11.672 -5.616 1.00 0.00 O ATOM 465 OD2 ASP A 51 -10.460 -11.500 -3.581 1.00 0.00 O ATOM 0 H ASP A 51 -9.428 -11.755 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.996 -10.634 -5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.253 -13.373 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.511 -12.933 -4.339 1.00 0.00 H new ATOM 470 N ALA A 52 -6.509 -12.963 -7.184 1.00 0.00 N ATOM 471 CA ALA A 52 -5.214 -13.584 -7.520 1.00 0.00 C ATOM 472 C ALA A 52 -4.193 -12.500 -7.920 1.00 0.00 C ATOM 473 O ALA A 52 -3.041 -12.541 -7.493 1.00 0.00 O ATOM 474 CB ALA A 52 -5.375 -14.627 -8.645 1.00 0.00 C ATOM 0 H ALA A 52 -7.253 -13.184 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.842 -14.104 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.405 -15.069 -8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.063 -15.408 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.771 -14.142 -9.537 1.00 0.00 H new ATOM 480 N VAL A 53 -4.646 -11.517 -8.725 1.00 0.00 N ATOM 481 CA VAL A 53 -3.819 -10.361 -9.127 1.00 0.00 C ATOM 482 C VAL A 53 -3.471 -9.497 -7.895 1.00 0.00 C ATOM 483 O VAL A 53 -2.346 -9.014 -7.767 1.00 0.00 O ATOM 484 CB VAL A 53 -4.517 -9.499 -10.254 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.719 -8.206 -10.576 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.725 -10.346 -11.540 1.00 0.00 C ATOM 0 H VAL A 53 -5.589 -11.502 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.892 -10.745 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.491 -9.193 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.235 -7.645 -11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.642 -7.593 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.720 -8.472 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.207 -9.735 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.759 -10.692 -11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.355 -11.205 -11.312 1.00 0.00 H new ATOM 496 N SER A 54 -4.423 -9.378 -6.958 1.00 0.00 N ATOM 497 CA SER A 54 -4.234 -8.607 -5.716 1.00 0.00 C ATOM 498 C SER A 54 -3.211 -9.304 -4.791 1.00 0.00 C ATOM 499 O SER A 54 -2.357 -8.647 -4.189 1.00 0.00 O ATOM 500 CB SER A 54 -5.587 -8.422 -4.984 1.00 0.00 C ATOM 501 OG SER A 54 -5.462 -7.584 -3.845 1.00 0.00 O ATOM 0 H SER A 54 -5.343 -9.811 -7.037 1.00 0.00 H new ATOM 0 HA SER A 54 -3.844 -7.624 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.316 -7.994 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.971 -9.395 -4.678 1.00 0.00 H new ATOM 0 HG SER A 54 -6.335 -7.490 -3.411 1.00 0.00 H new ATOM 507 N ALA A 55 -3.306 -10.644 -4.700 1.00 0.00 N ATOM 508 CA ALA A 55 -2.446 -11.458 -3.813 1.00 0.00 C ATOM 509 C ALA A 55 -1.002 -11.549 -4.344 1.00 0.00 C ATOM 510 O ALA A 55 -0.042 -11.582 -3.562 1.00 0.00 O ATOM 511 CB ALA A 55 -3.047 -12.858 -3.637 1.00 0.00 C ATOM 0 H ALA A 55 -3.978 -11.193 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.404 -10.964 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.407 -13.449 -2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.040 -12.775 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.122 -13.346 -4.609 1.00 0.00 H new ATOM 517 N VAL A 56 -0.866 -11.591 -5.680 1.00 0.00 N ATOM 518 CA VAL A 56 0.443 -11.680 -6.346 1.00 0.00 C ATOM 519 C VAL A 56 1.151 -10.302 -6.337 1.00 0.00 C ATOM 520 O VAL A 56 2.373 -10.229 -6.264 1.00 0.00 O ATOM 521 CB VAL A 56 0.285 -12.255 -7.811 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.270 -11.224 -8.809 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.592 -12.882 -8.320 1.00 0.00 C ATOM 0 H VAL A 56 -1.656 -11.564 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 56 1.074 -12.375 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.461 -13.047 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.354 -11.681 -9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.254 -10.890 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.404 -10.369 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.443 -13.265 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.378 -12.127 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.884 -13.699 -7.661 1.00 0.00 H new ATOM 533 N SER A 57 0.356 -9.210 -6.375 1.00 0.00 N ATOM 534 CA SER A 57 0.880 -7.825 -6.255 1.00 0.00 C ATOM 535 C SER A 57 1.323 -7.543 -4.811 1.00 0.00 C ATOM 536 O SER A 57 2.295 -6.813 -4.580 1.00 0.00 O ATOM 537 CB SER A 57 -0.194 -6.801 -6.670 1.00 0.00 C ATOM 538 OG SER A 57 -0.618 -7.026 -7.994 1.00 0.00 O ATOM 0 H SER A 57 -0.657 -9.259 -6.488 1.00 0.00 H new ATOM 0 HA SER A 57 1.739 -7.730 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.047 -6.868 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.206 -5.791 -6.579 1.00 0.00 H new ATOM 0 HG SER A 57 -0.957 -7.942 -8.078 1.00 0.00 H new ATOM 544 N ARG A 58 0.566 -8.128 -3.862 1.00 0.00 N ATOM 545 CA ARG A 58 0.848 -8.063 -2.420 1.00 0.00 C ATOM 546 C ARG A 58 2.213 -8.701 -2.128 1.00 0.00 C ATOM 547 O ARG A 58 3.110 -8.042 -1.600 1.00 0.00 O ATOM 548 CB ARG A 58 -0.284 -8.795 -1.631 1.00 0.00 C ATOM 549 CG ARG A 58 -0.086 -8.897 -0.102 1.00 0.00 C ATOM 550 CD ARG A 58 0.008 -7.524 0.578 1.00 0.00 C ATOM 551 NE ARG A 58 0.166 -7.640 2.040 1.00 0.00 N ATOM 552 CZ ARG A 58 0.466 -6.632 2.861 1.00 0.00 C ATOM 553 NH1 ARG A 58 0.755 -5.420 2.387 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.513 -6.846 4.166 1.00 0.00 N ATOM 0 H ARG A 58 -0.271 -8.667 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 58 0.878 -7.021 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.225 -8.279 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.386 -9.803 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.916 -9.456 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.822 -9.463 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.852 -6.972 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.890 -6.947 0.355 1.00 0.00 H new ATOM 0 HE ARG A 58 0.036 -8.562 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.749 -5.251 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.982 -4.662 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.321 -7.776 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.742 -6.081 4.800 1.00 0.00 H new ATOM 568 N ARG A 59 2.353 -9.977 -2.536 1.00 0.00 N ATOM 569 CA ARG A 59 3.576 -10.767 -2.312 1.00 0.00 C ATOM 570 C ARG A 59 4.800 -10.105 -2.968 1.00 0.00 C ATOM 571 O ARG A 59 5.848 -9.995 -2.340 1.00 0.00 O ATOM 572 CB ARG A 59 3.407 -12.224 -2.837 1.00 0.00 C ATOM 573 CG ARG A 59 4.672 -13.109 -2.692 1.00 0.00 C ATOM 574 CD ARG A 59 5.109 -13.319 -1.227 1.00 0.00 C ATOM 575 NE ARG A 59 6.513 -13.776 -1.134 1.00 0.00 N ATOM 576 CZ ARG A 59 6.919 -15.038 -0.937 1.00 0.00 C ATOM 577 NH1 ARG A 59 6.042 -16.034 -0.820 1.00 0.00 N ATOM 578 NH2 ARG A 59 8.220 -15.299 -0.870 1.00 0.00 N ATOM 0 H ARG A 59 1.621 -10.488 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 59 3.744 -10.804 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.584 -12.697 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.123 -12.187 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.481 -14.080 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.492 -12.651 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.993 -12.386 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.456 -14.052 -0.754 1.00 0.00 H new ATOM 0 HE ARG A 59 7.239 -13.065 -1.228 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.042 -15.843 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.371 -16.988 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.898 -14.543 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.541 -16.255 -0.720 1.00 0.00 H new ATOM 592 N ALA A 60 4.636 -9.660 -4.229 1.00 0.00 N ATOM 593 CA ALA A 60 5.722 -9.017 -5.000 1.00 0.00 C ATOM 594 C ALA A 60 6.220 -7.734 -4.304 1.00 0.00 C ATOM 595 O ALA A 60 7.422 -7.494 -4.221 1.00 0.00 O ATOM 596 CB ALA A 60 5.258 -8.721 -6.425 1.00 0.00 C ATOM 0 H ALA A 60 3.756 -9.734 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 60 6.561 -9.711 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.068 -8.248 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.976 -9.652 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.398 -8.052 -6.396 1.00 0.00 H new ATOM 602 N ASP A 61 5.278 -6.941 -3.770 1.00 0.00 N ATOM 603 CA ASP A 61 5.592 -5.713 -3.011 1.00 0.00 C ATOM 604 C ASP A 61 6.371 -6.055 -1.715 1.00 0.00 C ATOM 605 O ASP A 61 7.301 -5.337 -1.326 1.00 0.00 O ATOM 606 CB ASP A 61 4.281 -4.953 -2.693 1.00 0.00 C ATOM 607 CG ASP A 61 4.484 -3.701 -1.822 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.906 -2.651 -2.356 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.232 -3.763 -0.603 1.00 0.00 O ATOM 0 H ASP A 61 4.279 -7.129 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 61 6.231 -5.070 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.806 -4.660 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.594 -5.630 -2.185 1.00 0.00 H new ATOM 614 N GLU A 62 5.996 -7.182 -1.079 1.00 0.00 N ATOM 615 CA GLU A 62 6.666 -7.697 0.137 1.00 0.00 C ATOM 616 C GLU A 62 8.038 -8.331 -0.199 1.00 0.00 C ATOM 617 O GLU A 62 8.883 -8.501 0.688 1.00 0.00 O ATOM 618 CB GLU A 62 5.738 -8.712 0.859 1.00 0.00 C ATOM 619 CG GLU A 62 4.385 -8.120 1.309 1.00 0.00 C ATOM 620 CD GLU A 62 3.467 -9.162 1.972 1.00 0.00 C ATOM 621 OE1 GLU A 62 2.879 -9.999 1.250 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.346 -9.165 3.226 1.00 0.00 O ATOM 0 H GLU A 62 5.219 -7.764 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 62 6.858 -6.860 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.550 -9.554 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.258 -9.106 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.566 -7.304 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.876 -7.692 0.445 1.00 0.00 H new ATOM 629 N GLU A 63 8.242 -8.691 -1.484 1.00 0.00 N ATOM 630 CA GLU A 63 9.546 -9.165 -2.015 1.00 0.00 C ATOM 631 C GLU A 63 10.453 -7.980 -2.400 1.00 0.00 C ATOM 632 O GLU A 63 11.627 -8.175 -2.740 1.00 0.00 O ATOM 633 CB GLU A 63 9.324 -10.079 -3.255 1.00 0.00 C ATOM 634 CG GLU A 63 8.629 -11.423 -2.960 1.00 0.00 C ATOM 635 CD GLU A 63 9.468 -12.388 -2.100 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.319 -13.121 -2.652 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.266 -12.436 -0.865 1.00 0.00 O ATOM 0 H GLU A 63 7.505 -8.662 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 63 10.039 -9.736 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.729 -9.533 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.291 -10.281 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.685 -11.228 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.388 -11.911 -3.905 1.00 0.00 H new ATOM 644 N GLY A 64 9.898 -6.754 -2.350 1.00 0.00 N ATOM 645 CA GLY A 64 10.630 -5.546 -2.739 1.00 0.00 C ATOM 646 C GLY A 64 10.675 -5.339 -4.253 1.00 0.00 C ATOM 647 O GLY A 64 11.477 -4.539 -4.758 1.00 0.00 O ATOM 0 H GLY A 64 8.941 -6.580 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.163 -4.678 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.648 -5.605 -2.355 1.00 0.00 H new ATOM 651 N ALA A 65 9.826 -6.086 -4.974 1.00 0.00 N ATOM 652 CA ALA A 65 9.669 -5.966 -6.429 1.00 0.00 C ATOM 653 C ALA A 65 8.835 -4.736 -6.772 1.00 0.00 C ATOM 654 O ALA A 65 7.797 -4.481 -6.144 1.00 0.00 O ATOM 655 CB ALA A 65 9.013 -7.226 -7.006 1.00 0.00 C ATOM 0 H ALA A 65 9.224 -6.797 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 65 10.658 -5.855 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.905 -7.118 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.637 -8.093 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.030 -7.364 -6.555 1.00 0.00 H new ATOM 661 N ALA A 66 9.310 -3.988 -7.764 1.00 0.00 N ATOM 662 CA ALA A 66 8.626 -2.803 -8.282 1.00 0.00 C ATOM 663 C ALA A 66 7.471 -3.221 -9.199 1.00 0.00 C ATOM 664 O ALA A 66 6.392 -2.626 -9.178 1.00 0.00 O ATOM 665 CB ALA A 66 9.633 -1.920 -9.028 1.00 0.00 C ATOM 0 H ALA A 66 10.191 -4.189 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 66 8.206 -2.230 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.125 -1.036 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.425 -1.614 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.066 -2.481 -9.856 1.00 0.00 H new ATOM 671 N SER A 67 7.717 -4.275 -9.989 1.00 0.00 N ATOM 672 CA SER A 67 6.764 -4.784 -10.985 1.00 0.00 C ATOM 673 C SER A 67 6.662 -6.322 -10.905 1.00 0.00 C ATOM 674 O SER A 67 7.450 -6.967 -10.206 1.00 0.00 O ATOM 675 CB SER A 67 7.222 -4.334 -12.395 1.00 0.00 C ATOM 676 OG SER A 67 7.388 -2.920 -12.465 1.00 0.00 O ATOM 0 H SER A 67 8.589 -4.802 -9.955 1.00 0.00 H new ATOM 0 HA SER A 67 5.773 -4.378 -10.781 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.162 -4.824 -12.647 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.488 -4.652 -13.136 1.00 0.00 H new ATOM 0 HG SER A 67 7.965 -2.696 -13.224 1.00 0.00 H new ATOM 682 N PHE A 68 5.674 -6.884 -11.614 1.00 0.00 N ATOM 683 CA PHE A 68 5.520 -8.341 -11.789 1.00 0.00 C ATOM 684 C PHE A 68 4.863 -8.615 -13.153 1.00 0.00 C ATOM 685 O PHE A 68 4.164 -7.753 -13.684 1.00 0.00 O ATOM 686 CB PHE A 68 4.661 -8.965 -10.638 1.00 0.00 C ATOM 687 CG PHE A 68 3.151 -8.701 -10.750 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.591 -7.507 -10.299 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.296 -9.641 -11.347 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.235 -7.269 -10.430 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.943 -9.392 -11.483 1.00 0.00 C ATOM 692 CZ PHE A 68 0.412 -8.210 -11.024 1.00 0.00 C ATOM 0 H PHE A 68 4.952 -6.340 -12.087 1.00 0.00 H new ATOM 0 HA PHE A 68 6.505 -8.806 -11.752 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.828 -10.042 -10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.015 -8.573 -9.685 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.223 -6.760 -9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.702 -10.575 -11.706 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.815 -6.343 -10.066 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.303 -10.126 -11.950 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.645 -8.016 -11.127 1.00 0.00 H new ATOM 702 N TYR A 69 5.041 -9.829 -13.676 1.00 0.00 N ATOM 703 CA TYR A 69 4.370 -10.288 -14.894 1.00 0.00 C ATOM 704 C TYR A 69 4.027 -11.779 -14.753 1.00 0.00 C ATOM 705 O TYR A 69 4.927 -12.611 -14.582 1.00 0.00 O ATOM 706 CB TYR A 69 5.249 -10.039 -16.150 1.00 0.00 C ATOM 707 CG TYR A 69 4.574 -10.465 -17.463 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.519 -9.723 -17.995 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.969 -11.617 -18.154 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.882 -10.110 -19.155 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.336 -12.004 -19.322 1.00 0.00 C ATOM 712 CZ TYR A 69 3.294 -11.251 -19.817 1.00 0.00 C ATOM 713 OH TYR A 69 2.659 -11.647 -20.975 1.00 0.00 O ATOM 0 H TYR A 69 5.660 -10.527 -13.263 1.00 0.00 H new ATOM 0 HA TYR A 69 3.450 -9.718 -15.026 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.498 -8.979 -16.206 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.188 -10.582 -16.040 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.194 -8.827 -17.488 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.782 -12.214 -17.768 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.064 -9.523 -19.545 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.658 -12.893 -19.844 1.00 0.00 H new ATOM 0 HH TYR A 69 3.075 -12.468 -21.312 1.00 0.00 H new ATOM 723 N VAL A 70 2.721 -12.095 -14.815 1.00 0.00 N ATOM 724 CA VAL A 70 2.222 -13.472 -14.777 1.00 0.00 C ATOM 725 C VAL A 70 2.558 -14.181 -16.097 1.00 0.00 C ATOM 726 O VAL A 70 2.051 -13.809 -17.161 1.00 0.00 O ATOM 727 CB VAL A 70 0.674 -13.527 -14.502 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.159 -14.989 -14.467 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.318 -12.770 -13.194 1.00 0.00 C ATOM 0 H VAL A 70 1.983 -11.396 -14.893 1.00 0.00 H new ATOM 0 HA VAL A 70 2.715 -13.986 -13.952 1.00 0.00 H new ATOM 0 HB VAL A 70 0.169 -13.024 -15.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.914 -14.992 -14.275 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.358 -15.468 -15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.671 -15.536 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.758 -12.822 -13.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.840 -13.229 -12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.621 -11.727 -13.283 1.00 0.00 H new ATOM 739 N VAL A 71 3.457 -15.168 -16.018 1.00 0.00 N ATOM 740 CA VAL A 71 3.873 -15.969 -17.178 1.00 0.00 C ATOM 741 C VAL A 71 3.030 -17.253 -17.291 1.00 0.00 C ATOM 742 O VAL A 71 2.845 -17.793 -18.389 1.00 0.00 O ATOM 743 CB VAL A 71 5.401 -16.337 -17.096 1.00 0.00 C ATOM 744 CG1 VAL A 71 6.274 -15.055 -17.062 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.700 -17.262 -15.883 1.00 0.00 C ATOM 0 H VAL A 71 3.918 -15.435 -15.148 1.00 0.00 H new ATOM 0 HA VAL A 71 3.710 -15.363 -18.069 1.00 0.00 H new ATOM 0 HB VAL A 71 5.660 -16.895 -17.996 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.326 -15.333 -17.005 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.101 -14.473 -17.967 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.009 -14.457 -16.190 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.764 -17.496 -15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.418 -16.755 -14.960 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.128 -18.185 -15.979 1.00 0.00 H new ATOM 755 N ASP A 72 2.509 -17.730 -16.145 1.00 0.00 N ATOM 756 CA ASP A 72 1.839 -19.033 -16.051 1.00 0.00 C ATOM 757 C ASP A 72 0.651 -18.952 -15.081 1.00 0.00 C ATOM 758 O ASP A 72 0.768 -18.390 -13.988 1.00 0.00 O ATOM 759 CB ASP A 72 2.853 -20.105 -15.564 1.00 0.00 C ATOM 760 CG ASP A 72 2.309 -21.549 -15.610 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.541 -21.950 -14.708 1.00 0.00 O ATOM 762 OD2 ASP A 72 2.661 -22.295 -16.540 1.00 0.00 O ATOM 0 H ASP A 72 2.542 -17.221 -15.262 1.00 0.00 H new ATOM 0 HA ASP A 72 1.464 -19.313 -17.036 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.752 -20.046 -16.178 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.150 -19.872 -14.542 1.00 0.00 H new ATOM 767 N THR A 73 -0.487 -19.499 -15.517 1.00 0.00 N ATOM 768 CA THR A 73 -1.626 -19.833 -14.659 1.00 0.00 C ATOM 769 C THR A 73 -2.055 -21.263 -15.012 1.00 0.00 C ATOM 770 O THR A 73 -2.489 -21.530 -16.142 1.00 0.00 O ATOM 771 CB THR A 73 -2.833 -18.837 -14.828 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.076 -18.588 -16.223 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.596 -17.502 -14.101 1.00 0.00 C ATOM 0 H THR A 73 -0.645 -19.727 -16.499 1.00 0.00 H new ATOM 0 HA THR A 73 -1.322 -19.752 -13.615 1.00 0.00 H new ATOM 0 HB THR A 73 -3.705 -19.310 -14.376 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.044 -19.434 -16.717 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.457 -16.850 -14.248 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.459 -17.687 -13.036 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.704 -17.022 -14.504 1.00 0.00 H new ATOM 781 N SER A 74 -1.862 -22.186 -14.066 1.00 0.00 N ATOM 782 CA SER A 74 -2.256 -23.596 -14.204 1.00 0.00 C ATOM 783 C SER A 74 -3.339 -23.918 -13.158 1.00 0.00 C ATOM 784 O SER A 74 -3.661 -23.078 -12.315 1.00 0.00 O ATOM 785 CB SER A 74 -1.008 -24.504 -14.039 1.00 0.00 C ATOM 786 OG SER A 74 -1.307 -25.879 -14.249 1.00 0.00 O ATOM 0 H SER A 74 -1.422 -21.975 -13.170 1.00 0.00 H new ATOM 0 HA SER A 74 -2.671 -23.782 -15.195 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.238 -24.190 -14.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.596 -24.373 -13.038 1.00 0.00 H new ATOM 0 HG SER A 74 -0.492 -26.412 -14.137 1.00 0.00 H new ATOM 792 N GLU A 75 -3.903 -25.129 -13.231 1.00 0.00 N ATOM 793 CA GLU A 75 -4.968 -25.586 -12.318 1.00 0.00 C ATOM 794 C GLU A 75 -4.767 -27.067 -11.978 1.00 0.00 C ATOM 795 O GLU A 75 -4.140 -27.806 -12.751 1.00 0.00 O ATOM 796 CB GLU A 75 -6.384 -25.356 -12.945 1.00 0.00 C ATOM 797 CG GLU A 75 -6.723 -26.201 -14.205 1.00 0.00 C ATOM 798 CD GLU A 75 -5.833 -25.901 -15.428 1.00 0.00 C ATOM 799 OE1 GLU A 75 -6.075 -24.887 -16.120 1.00 0.00 O ATOM 800 OE2 GLU A 75 -4.873 -26.661 -15.697 1.00 0.00 O ATOM 0 H GLU A 75 -3.636 -25.826 -13.926 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.909 -25.000 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.134 -25.563 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.476 -24.301 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.632 -27.258 -13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.764 -26.026 -14.476 1.00 0.00 H new ATOM 866 N ASN A 81 -8.205 -25.144 -6.576 1.00 0.00 N ATOM 867 CA ASN A 81 -6.871 -24.549 -6.407 1.00 0.00 C ATOM 868 C ASN A 81 -6.140 -24.443 -7.760 1.00 0.00 C ATOM 869 O ASN A 81 -5.507 -25.396 -8.233 1.00 0.00 O ATOM 870 CB ASN A 81 -6.045 -25.327 -5.336 1.00 0.00 C ATOM 871 CG ASN A 81 -5.969 -26.842 -5.551 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.856 -27.577 -5.125 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.909 -27.324 -6.187 1.00 0.00 N ATOM 0 HA ASN A 81 -6.988 -23.532 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.031 -24.926 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.479 -25.136 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.815 -28.329 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.188 -26.689 -6.530 1.00 0.00 H new ATOM 880 N TRP A 82 -6.303 -23.277 -8.411 1.00 0.00 N ATOM 881 CA TRP A 82 -5.551 -22.908 -9.617 1.00 0.00 C ATOM 882 C TRP A 82 -4.399 -21.971 -9.212 1.00 0.00 C ATOM 883 O TRP A 82 -4.613 -20.976 -8.511 1.00 0.00 O ATOM 884 CB TRP A 82 -6.486 -22.275 -10.694 1.00 0.00 C ATOM 885 CG TRP A 82 -7.271 -21.049 -10.265 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.423 -21.023 -9.527 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.971 -19.678 -10.572 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.847 -19.728 -9.353 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.967 -18.888 -9.982 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.944 -19.049 -11.287 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.983 -17.499 -10.091 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.957 -17.671 -11.389 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.966 -16.912 -10.793 1.00 0.00 C ATOM 0 H TRP A 82 -6.965 -22.562 -8.110 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.127 -23.800 -10.078 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.879 -22.008 -11.559 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.193 -23.036 -11.023 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.927 -21.895 -9.137 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.680 -19.440 -8.840 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.159 -19.629 -11.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.767 -16.909 -9.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.173 -17.172 -11.939 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.943 -15.836 -10.888 1.00 0.00 H new ATOM 904 N ARG A 83 -3.172 -22.322 -9.634 1.00 0.00 N ATOM 905 CA ARG A 83 -1.940 -21.639 -9.209 1.00 0.00 C ATOM 906 C ARG A 83 -1.535 -20.557 -10.230 1.00 0.00 C ATOM 907 O ARG A 83 -1.867 -20.645 -11.419 1.00 0.00 O ATOM 908 CB ARG A 83 -0.809 -22.691 -8.996 1.00 0.00 C ATOM 909 CG ARG A 83 -0.255 -23.347 -10.295 1.00 0.00 C ATOM 910 CD ARG A 83 1.130 -22.803 -10.694 1.00 0.00 C ATOM 911 NE ARG A 83 1.550 -23.241 -12.039 1.00 0.00 N ATOM 912 CZ ARG A 83 2.259 -24.343 -12.329 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.587 -25.236 -11.392 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.623 -24.553 -13.581 1.00 0.00 N ATOM 0 H ARG A 83 -3.007 -23.092 -10.283 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.115 -21.130 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.017 -22.211 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.186 -23.479 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.189 -24.426 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.957 -23.175 -11.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.111 -21.714 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.869 -23.131 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 83 1.275 -22.650 -12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.298 -25.090 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.127 -26.064 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.365 -23.884 -14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.162 -25.384 -13.823 1.00 0.00 H new ATOM 928 N VAL A 84 -0.805 -19.540 -9.736 1.00 0.00 N ATOM 929 CA VAL A 84 -0.326 -18.389 -10.525 1.00 0.00 C ATOM 930 C VAL A 84 1.192 -18.234 -10.309 1.00 0.00 C ATOM 931 O VAL A 84 1.628 -17.938 -9.190 1.00 0.00 O ATOM 932 CB VAL A 84 -1.054 -17.048 -10.100 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.569 -15.841 -10.942 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.594 -17.189 -10.164 1.00 0.00 C ATOM 0 H VAL A 84 -0.526 -19.494 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.550 -18.575 -11.575 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.783 -16.855 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.091 -14.940 -10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.504 -15.708 -10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.778 -16.025 -11.996 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.058 -16.249 -9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.895 -17.435 -11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.915 -17.983 -9.489 1.00 0.00 H new ATOM 944 N VAL A 85 1.989 -18.474 -11.367 1.00 0.00 N ATOM 945 CA VAL A 85 3.433 -18.183 -11.373 1.00 0.00 C ATOM 946 C VAL A 85 3.648 -16.830 -12.072 1.00 0.00 C ATOM 947 O VAL A 85 3.347 -16.682 -13.267 1.00 0.00 O ATOM 948 CB VAL A 85 4.275 -19.294 -12.106 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.797 -19.024 -11.989 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.917 -20.696 -11.574 1.00 0.00 C ATOM 0 H VAL A 85 1.649 -18.875 -12.241 1.00 0.00 H new ATOM 0 HA VAL A 85 3.778 -18.157 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 85 4.018 -19.258 -13.165 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.347 -19.810 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.031 -18.060 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.085 -19.011 -10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.512 -21.446 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.128 -20.745 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.858 -20.890 -11.744 1.00 0.00 H new ATOM 960 N ALA A 86 4.135 -15.841 -11.310 1.00 0.00 N ATOM 961 CA ALA A 86 4.429 -14.499 -11.818 1.00 0.00 C ATOM 962 C ALA A 86 5.873 -14.119 -11.483 1.00 0.00 C ATOM 963 O ALA A 86 6.257 -14.100 -10.314 1.00 0.00 O ATOM 964 CB ALA A 86 3.456 -13.477 -11.223 1.00 0.00 C ATOM 0 H ALA A 86 4.337 -15.953 -10.316 1.00 0.00 H new ATOM 0 HA ALA A 86 4.307 -14.498 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.688 -12.485 -11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.435 -13.744 -11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.551 -13.474 -10.137 1.00 0.00 H new ATOM 970 N ASP A 87 6.663 -13.842 -12.516 1.00 0.00 N ATOM 971 CA ASP A 87 8.034 -13.344 -12.376 1.00 0.00 C ATOM 972 C ASP A 87 8.017 -11.903 -11.854 1.00 0.00 C ATOM 973 O ASP A 87 7.115 -11.141 -12.184 1.00 0.00 O ATOM 974 CB ASP A 87 8.752 -13.428 -13.742 1.00 0.00 C ATOM 975 CG ASP A 87 9.030 -14.874 -14.192 1.00 0.00 C ATOM 976 OD1 ASP A 87 8.069 -15.655 -14.322 1.00 0.00 O ATOM 977 OD2 ASP A 87 10.207 -15.243 -14.400 1.00 0.00 O ATOM 0 H ASP A 87 6.369 -13.957 -13.486 1.00 0.00 H new ATOM 0 HA ASP A 87 8.576 -13.958 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.143 -12.930 -14.497 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.695 -12.885 -13.684 1.00 0.00 H new ATOM 982 N VAL A 88 9.012 -11.540 -11.049 1.00 0.00 N ATOM 983 CA VAL A 88 9.074 -10.225 -10.394 1.00 0.00 C ATOM 984 C VAL A 88 10.268 -9.421 -10.931 1.00 0.00 C ATOM 985 O VAL A 88 11.370 -9.957 -11.113 1.00 0.00 O ATOM 986 CB VAL A 88 9.122 -10.365 -8.827 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.747 -10.801 -8.268 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.224 -11.342 -8.361 1.00 0.00 C ATOM 0 H VAL A 88 9.802 -12.146 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 88 8.162 -9.677 -10.633 1.00 0.00 H new ATOM 0 HB VAL A 88 9.368 -9.380 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.807 -10.891 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.995 -10.056 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.469 -11.764 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.218 -11.405 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.037 -12.329 -8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.196 -10.982 -8.698 1.00 0.00 H new ATOM 998 N TYR A 89 10.016 -8.124 -11.193 1.00 0.00 N ATOM 999 CA TYR A 89 10.925 -7.225 -11.932 1.00 0.00 C ATOM 1000 C TYR A 89 11.222 -5.957 -11.113 1.00 0.00 C ATOM 1001 O TYR A 89 10.587 -5.689 -10.082 1.00 0.00 O ATOM 1002 CB TYR A 89 10.278 -6.792 -13.288 1.00 0.00 C ATOM 1003 CG TYR A 89 9.991 -7.915 -14.301 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.940 -8.814 -14.105 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.755 -8.059 -15.466 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.670 -9.814 -15.019 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.482 -9.059 -16.383 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.439 -9.933 -16.152 1.00 0.00 C ATOM 1009 OH TYR A 89 9.165 -10.930 -17.060 1.00 0.00 O ATOM 0 H TYR A 89 9.158 -7.662 -10.891 1.00 0.00 H new ATOM 0 HA TYR A 89 11.851 -7.770 -12.115 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.340 -6.281 -13.071 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.936 -6.064 -13.763 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.326 -8.725 -13.221 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.572 -7.377 -15.652 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.856 -10.501 -14.844 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.083 -9.155 -17.276 1.00 0.00 H new ATOM 0 HH TYR A 89 9.799 -10.877 -17.805 1.00 0.00 H new ATOM 1019 N LYS A 90 12.198 -5.179 -11.611 1.00 0.00 N ATOM 1020 CA LYS A 90 12.488 -3.814 -11.132 1.00 0.00 C ATOM 1021 C LYS A 90 11.689 -2.799 -11.986 1.00 0.00 C ATOM 1022 O LYS A 90 10.950 -3.184 -12.903 1.00 0.00 O ATOM 1023 CB LYS A 90 14.024 -3.504 -11.204 1.00 0.00 C ATOM 1024 CG LYS A 90 14.925 -4.280 -10.199 1.00 0.00 C ATOM 1025 CD LYS A 90 15.051 -5.793 -10.493 1.00 0.00 C ATOM 1026 CE LYS A 90 15.967 -6.513 -9.489 1.00 0.00 C ATOM 1027 NZ LYS A 90 17.373 -6.043 -9.567 1.00 0.00 N ATOM 0 H LYS A 90 12.815 -5.482 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 90 12.186 -3.732 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.371 -3.720 -12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.167 -2.436 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.921 -3.837 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.524 -4.149 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.061 -6.248 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.441 -5.933 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.589 -6.355 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.935 -7.586 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.975 -6.648 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.701 -6.091 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.430 -5.060 -9.231 1.00 0.00 H new ATOM 1041 N ALA A 91 11.825 -1.507 -11.651 1.00 0.00 N ATOM 1042 CA ALA A 91 11.268 -0.391 -12.443 1.00 0.00 C ATOM 1043 C ALA A 91 12.325 0.732 -12.534 1.00 0.00 C ATOM 1044 O ALA A 91 12.569 1.413 -11.510 1.00 0.00 O ATOM 1045 CB ALA A 91 9.945 0.127 -11.841 1.00 0.00 C ATOM 1046 OXT ALA A 91 12.937 0.913 -13.606 1.00 0.00 O ATOM 0 H ALA A 91 12.327 -1.201 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 91 11.032 -0.746 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.565 0.947 -12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.213 -0.680 -11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.121 0.481 -10.825 1.00 0.00 H new