USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1037 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 65 GLN : amide:sc= 0 X(o=-3.1,f=-3) USER MOD Set 1.2: A 84 SER OG : rot -126:sc= -3.11! USER MOD Set 2.1: A 36 ASN : amide:sc= 0.781 K(o=1.8,f=-1.2) USER MOD Set 2.2: A 39 SER OG : rot 127:sc= 0.989 USER MOD Single : A 2 LYS NZ :NH3+ 167:sc= -0.015 (180deg=-0.207) USER MOD Single : A 4 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.0032) USER MOD Single : A 6 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.008) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0399 (180deg=-0.343) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 23 GLN : amide:sc= -0.983 K(o=-0.98,f=-0.08) USER MOD Single : A 24 THR OG1 : rot -175:sc= -0.773 USER MOD Single : A 27 THR OG1 : rot -23:sc= 0.134 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.722 USER MOD Single : A 46 ASN : amide:sc= -0.345 K(o=-0.35,f=-3.7!) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 0.607 (180deg=0.0922) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= 0.617 (180deg=-0.365) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 0.244 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.14! C(o=-2.1!,f=-3.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 73 GLN : amide:sc= -4.4! K(o=-4.4!,f=-0.58) USER MOD Single : A 75 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0.00053) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.74! C(o=-5.7!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -8:sc= 1.11 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 114 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.46) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.977 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 -2.513 -35.690 8.111 1.00 0.00 N ATOM 2 CA LYS A 2 -1.796 -36.822 8.741 1.00 0.00 C ATOM 3 C LYS A 2 -0.696 -37.328 7.818 1.00 0.00 C ATOM 4 O LYS A 2 -0.926 -37.533 6.628 1.00 0.00 O ATOM 5 CB LYS A 2 -2.760 -37.971 9.059 1.00 0.00 C ATOM 6 CG LYS A 2 -3.882 -37.600 10.017 1.00 0.00 C ATOM 7 CD LYS A 2 -4.737 -38.812 10.358 1.00 0.00 C ATOM 8 CE LYS A 2 -5.939 -38.439 11.216 1.00 0.00 C ATOM 9 NZ LYS A 2 -6.886 -37.553 10.489 1.00 0.00 N1+ ATOM 0 HA LYS A 2 -1.355 -36.464 9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.197 -38.331 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.193 -38.798 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.460 -37.181 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.505 -36.826 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.081 -39.284 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.129 -39.548 10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.457 -39.346 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.597 -37.939 12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.783 -37.500 11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.477 -36.601 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.062 -37.938 9.539 1.00 0.00 H new ATOM 25 N VAL A 3 0.499 -37.516 8.377 1.00 0.00 N ATOM 26 CA VAL A 3 1.640 -38.068 7.645 1.00 0.00 C ATOM 27 C VAL A 3 1.945 -37.253 6.385 1.00 0.00 C ATOM 28 O VAL A 3 1.736 -37.708 5.259 1.00 0.00 O ATOM 29 CB VAL A 3 1.405 -39.549 7.260 1.00 0.00 C ATOM 30 CG1 VAL A 3 2.684 -40.182 6.733 1.00 0.00 C ATOM 31 CG2 VAL A 3 0.869 -40.337 8.446 1.00 0.00 C ATOM 0 H VAL A 3 0.704 -37.290 9.350 1.00 0.00 H new ATOM 0 HA VAL A 3 2.498 -38.013 8.315 1.00 0.00 H new ATOM 0 HB VAL A 3 0.659 -39.575 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.493 -41.222 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.021 -39.640 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.455 -40.138 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.711 -41.375 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.588 -40.297 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.077 -39.905 8.772 1.00 0.00 H new ATOM 41 N GLN A 4 2.425 -36.038 6.587 1.00 0.00 N ATOM 42 CA GLN A 4 2.800 -35.173 5.478 1.00 0.00 C ATOM 43 C GLN A 4 3.933 -34.239 5.891 1.00 0.00 C ATOM 44 O GLN A 4 4.159 -34.007 7.083 1.00 0.00 O ATOM 45 CB GLN A 4 1.588 -34.371 4.987 1.00 0.00 C ATOM 46 CG GLN A 4 0.928 -33.523 6.063 1.00 0.00 C ATOM 47 CD GLN A 4 -0.312 -32.803 5.566 1.00 0.00 C ATOM 48 OE1 GLN A 4 -0.639 -31.712 6.035 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.015 -33.407 4.621 1.00 0.00 N ATOM 0 H GLN A 4 2.565 -35.626 7.510 1.00 0.00 H new ATOM 0 HA GLN A 4 3.152 -35.797 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 4 1.902 -33.722 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.850 -35.062 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.660 -34.159 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 4 1.645 -32.790 6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.711 -34.311 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.861 -32.969 4.256 1.00 0.00 H new ATOM 58 N GLU A 5 4.642 -33.708 4.906 1.00 0.00 N ATOM 59 CA GLU A 5 5.799 -32.863 5.159 1.00 0.00 C ATOM 60 C GLU A 5 5.512 -31.441 4.677 1.00 0.00 C ATOM 61 O GLU A 5 5.141 -31.233 3.520 1.00 0.00 O ATOM 62 CB GLU A 5 7.019 -33.451 4.444 1.00 0.00 C ATOM 63 CG GLU A 5 8.329 -33.275 5.196 1.00 0.00 C ATOM 64 CD GLU A 5 8.703 -31.826 5.392 1.00 0.00 C ATOM 65 OE1 GLU A 5 9.333 -31.247 4.484 1.00 0.00 O ATOM 66 OE2 GLU A 5 8.356 -31.255 6.445 1.00 0.00 O1- ATOM 0 H GLU A 5 4.434 -33.849 3.917 1.00 0.00 H new ATOM 0 HA GLU A 5 6.007 -32.824 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.850 -34.515 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.111 -32.984 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.252 -33.760 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.126 -33.780 4.651 1.00 0.00 H new ATOM 73 N GLN A 6 5.691 -30.467 5.563 1.00 0.00 N ATOM 74 CA GLN A 6 5.297 -29.088 5.288 1.00 0.00 C ATOM 75 C GLN A 6 6.503 -28.202 4.989 1.00 0.00 C ATOM 76 O GLN A 6 6.387 -26.971 4.980 1.00 0.00 O ATOM 77 CB GLN A 6 4.536 -28.518 6.485 1.00 0.00 C ATOM 78 CG GLN A 6 3.374 -29.383 6.941 1.00 0.00 C ATOM 79 CD GLN A 6 2.671 -28.816 8.158 1.00 0.00 C ATOM 80 OE1 GLN A 6 1.471 -29.010 8.339 1.00 0.00 O ATOM 81 NE2 GLN A 6 3.411 -28.122 9.008 1.00 0.00 N ATOM 0 H GLN A 6 6.109 -30.607 6.483 1.00 0.00 H new ATOM 0 HA GLN A 6 4.657 -29.098 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.229 -28.389 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.160 -27.528 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.658 -29.483 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.739 -30.384 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.404 -27.982 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.988 -27.727 9.848 1.00 0.00 H new ATOM 90 N SER A 7 7.652 -28.835 4.764 1.00 0.00 N ATOM 91 CA SER A 7 8.899 -28.140 4.447 1.00 0.00 C ATOM 92 C SER A 7 9.401 -27.333 5.647 1.00 0.00 C ATOM 93 O SER A 7 10.275 -27.783 6.388 1.00 0.00 O ATOM 94 CB SER A 7 8.721 -27.224 3.226 1.00 0.00 C ATOM 95 OG SER A 7 8.187 -27.939 2.123 1.00 0.00 O ATOM 0 H SER A 7 7.745 -29.850 4.796 1.00 0.00 H new ATOM 0 HA SER A 7 9.646 -28.896 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.059 -26.397 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.682 -26.790 2.951 1.00 0.00 H new ATOM 0 HG SER A 7 8.082 -27.333 1.360 1.00 0.00 H new ATOM 101 N VAL A 8 8.826 -26.153 5.841 1.00 0.00 N ATOM 102 CA VAL A 8 9.234 -25.260 6.918 1.00 0.00 C ATOM 103 C VAL A 8 8.063 -24.996 7.861 1.00 0.00 C ATOM 104 O VAL A 8 8.247 -24.769 9.057 1.00 0.00 O ATOM 105 CB VAL A 8 9.755 -23.911 6.365 1.00 0.00 C ATOM 106 CG1 VAL A 8 10.307 -23.039 7.485 1.00 0.00 C ATOM 107 CG2 VAL A 8 10.813 -24.138 5.294 1.00 0.00 C ATOM 0 H VAL A 8 8.069 -25.790 5.261 1.00 0.00 H new ATOM 0 HA VAL A 8 10.041 -25.750 7.462 1.00 0.00 H new ATOM 0 HB VAL A 8 8.913 -23.388 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.666 -22.098 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.520 -22.838 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.131 -23.557 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.164 -23.176 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.651 -24.689 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.382 -24.711 4.473 1.00 0.00 H new ATOM 117 N GLY A 9 6.853 -25.059 7.321 1.00 0.00 N ATOM 118 CA GLY A 9 5.675 -24.749 8.107 1.00 0.00 C ATOM 119 C GLY A 9 5.182 -23.341 7.851 1.00 0.00 C ATOM 120 O GLY A 9 4.312 -22.835 8.560 1.00 0.00 O ATOM 0 H GLY A 9 6.666 -25.319 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.883 -25.460 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.904 -24.867 9.166 1.00 0.00 H new ATOM 124 N ALA A 10 5.747 -22.707 6.832 1.00 0.00 N ATOM 125 CA ALA A 10 5.365 -21.352 6.461 1.00 0.00 C ATOM 126 C ALA A 10 4.458 -21.375 5.238 1.00 0.00 C ATOM 127 O ALA A 10 4.789 -21.993 4.225 1.00 0.00 O ATOM 128 CB ALA A 10 6.605 -20.507 6.196 1.00 0.00 C ATOM 0 H ALA A 10 6.476 -23.113 6.245 1.00 0.00 H new ATOM 0 HA ALA A 10 4.815 -20.904 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.304 -19.496 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.219 -20.470 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.180 -20.950 5.383 1.00 0.00 H new ATOM 134 N PRO A 11 3.294 -20.718 5.326 1.00 0.00 N ATOM 135 CA PRO A 11 2.321 -20.694 4.239 1.00 0.00 C ATOM 136 C PRO A 11 2.674 -19.678 3.151 1.00 0.00 C ATOM 137 O PRO A 11 2.897 -18.498 3.436 1.00 0.00 O ATOM 138 CB PRO A 11 1.025 -20.304 4.945 1.00 0.00 C ATOM 139 CG PRO A 11 1.454 -19.478 6.112 1.00 0.00 C ATOM 140 CD PRO A 11 2.832 -19.951 6.500 1.00 0.00 C ATOM 0 HA PRO A 11 2.270 -21.648 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.369 -19.740 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.471 -21.185 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.468 -18.420 5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.758 -19.593 6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.495 -19.113 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.803 -20.572 7.395 1.00 0.00 H new ATOM 148 N PRO A 12 2.752 -20.132 1.893 1.00 0.00 N ATOM 149 CA PRO A 12 3.003 -19.261 0.749 1.00 0.00 C ATOM 150 C PRO A 12 1.769 -18.436 0.389 1.00 0.00 C ATOM 151 O PRO A 12 0.743 -18.985 -0.024 1.00 0.00 O ATOM 152 CB PRO A 12 3.350 -20.233 -0.392 1.00 0.00 C ATOM 153 CG PRO A 12 3.446 -21.587 0.237 1.00 0.00 C ATOM 154 CD PRO A 12 2.614 -21.532 1.484 1.00 0.00 C ATOM 0 HA PRO A 12 3.794 -18.539 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.583 -20.216 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.290 -19.956 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.080 -22.358 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.481 -21.834 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.575 -21.798 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.982 -22.217 2.248 1.00 0.00 H new ATOM 162 N PRO A 13 1.851 -17.107 0.544 1.00 0.00 N ATOM 163 CA PRO A 13 0.720 -16.205 0.303 1.00 0.00 C ATOM 164 C PRO A 13 0.437 -15.982 -1.186 1.00 0.00 C ATOM 165 O PRO A 13 0.605 -14.874 -1.703 1.00 0.00 O ATOM 166 CB PRO A 13 1.165 -14.902 0.971 1.00 0.00 C ATOM 167 CG PRO A 13 2.653 -14.928 0.898 1.00 0.00 C ATOM 168 CD PRO A 13 3.055 -16.377 0.991 1.00 0.00 C ATOM 0 HA PRO A 13 -0.212 -16.611 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.758 -14.033 0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.820 -14.849 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.004 -14.486 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.092 -14.350 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.914 -16.595 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.333 -16.650 2.009 1.00 0.00 H new ATOM 176 N GLY A 14 0.014 -17.046 -1.865 1.00 0.00 N ATOM 177 CA GLY A 14 -0.385 -16.946 -3.259 1.00 0.00 C ATOM 178 C GLY A 14 0.742 -16.510 -4.173 1.00 0.00 C ATOM 179 O GLY A 14 0.738 -15.387 -4.679 1.00 0.00 O ATOM 0 H GLY A 14 -0.060 -17.983 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.761 -17.913 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.208 -16.237 -3.344 1.00 0.00 H new ATOM 183 N ARG A 15 1.712 -17.390 -4.381 1.00 0.00 N ATOM 184 CA ARG A 15 2.828 -17.098 -5.273 1.00 0.00 C ATOM 185 C ARG A 15 3.441 -18.382 -5.826 1.00 0.00 C ATOM 186 O ARG A 15 3.698 -19.337 -5.087 1.00 0.00 O ATOM 187 CB ARG A 15 3.885 -16.219 -4.572 1.00 0.00 C ATOM 188 CG ARG A 15 4.186 -16.594 -3.125 1.00 0.00 C ATOM 189 CD ARG A 15 5.113 -17.792 -3.016 1.00 0.00 C ATOM 190 NE ARG A 15 6.448 -17.509 -3.542 1.00 0.00 N ATOM 191 CZ ARG A 15 7.180 -18.394 -4.222 1.00 0.00 C ATOM 192 NH1 ARG A 15 6.675 -19.584 -4.525 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 8.410 -18.087 -4.613 1.00 0.00 N ATOM 0 H ARG A 15 1.750 -18.311 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 15 2.442 -16.530 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.812 -16.268 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.548 -15.183 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.638 -15.741 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.252 -16.813 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.193 -18.093 -1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.682 -18.633 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 15 6.842 -16.582 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.726 -19.823 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.236 -20.259 -5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.801 -17.171 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.965 -18.767 -5.132 1.00 0.00 H new ATOM 207 N ALA A 16 3.636 -18.410 -7.134 1.00 0.00 N ATOM 208 CA ALA A 16 4.236 -19.554 -7.798 1.00 0.00 C ATOM 209 C ALA A 16 5.621 -19.200 -8.312 1.00 0.00 C ATOM 210 O ALA A 16 5.876 -18.061 -8.708 1.00 0.00 O ATOM 211 CB ALA A 16 3.353 -20.024 -8.943 1.00 0.00 C ATOM 0 H ALA A 16 3.385 -17.646 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 16 4.330 -20.365 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.816 -20.882 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.376 -20.311 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.233 -19.217 -9.665 1.00 0.00 H new ATOM 217 N ASP A 17 6.507 -20.184 -8.324 1.00 0.00 N ATOM 218 CA ASP A 17 7.890 -19.971 -8.744 1.00 0.00 C ATOM 219 C ASP A 17 8.025 -20.099 -10.254 1.00 0.00 C ATOM 220 O ASP A 17 9.114 -20.330 -10.776 1.00 0.00 O ATOM 221 CB ASP A 17 8.826 -20.968 -8.052 1.00 0.00 C ATOM 222 CG ASP A 17 8.825 -20.815 -6.547 1.00 0.00 C ATOM 223 OD1 ASP A 17 9.595 -19.985 -6.024 1.00 0.00 O1- ATOM 224 OD2 ASP A 17 8.037 -21.516 -5.873 1.00 0.00 O ATOM 0 H ASP A 17 6.295 -21.143 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 17 8.174 -18.960 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.526 -21.983 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.840 -20.830 -8.427 1.00 0.00 H new ATOM 229 N LYS A 18 6.907 -19.955 -10.950 1.00 0.00 N ATOM 230 CA LYS A 18 6.902 -20.025 -12.402 1.00 0.00 C ATOM 231 C LYS A 18 6.434 -18.705 -13.004 1.00 0.00 C ATOM 232 O LYS A 18 6.648 -18.445 -14.187 1.00 0.00 O ATOM 233 CB LYS A 18 6.004 -21.167 -12.883 1.00 0.00 C ATOM 234 CG LYS A 18 6.376 -22.521 -12.299 1.00 0.00 C ATOM 235 CD LYS A 18 5.602 -23.653 -12.961 1.00 0.00 C ATOM 236 CE LYS A 18 6.061 -23.883 -14.395 1.00 0.00 C ATOM 237 NZ LYS A 18 7.482 -24.318 -14.461 1.00 0.00 N1+ ATOM 0 H LYS A 18 5.992 -19.789 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 18 7.922 -20.217 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.970 -20.940 -12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.053 -21.224 -13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.446 -22.690 -12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.177 -22.522 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.733 -24.569 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.537 -23.420 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.428 -24.638 -14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.936 -22.964 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.670 -24.751 -15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.104 -23.494 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.667 -25.013 -13.710 1.00 0.00 H new ATOM 251 N THR A 19 5.798 -17.874 -12.191 1.00 0.00 N ATOM 252 CA THR A 19 5.299 -16.592 -12.660 1.00 0.00 C ATOM 253 C THR A 19 5.819 -15.454 -11.790 1.00 0.00 C ATOM 254 O THR A 19 6.711 -14.709 -12.199 1.00 0.00 O ATOM 255 CB THR A 19 3.757 -16.563 -12.698 1.00 0.00 C ATOM 256 OG1 THR A 19 3.216 -17.074 -11.468 1.00 0.00 O ATOM 257 CG2 THR A 19 3.224 -17.378 -13.867 1.00 0.00 C ATOM 0 H THR A 19 5.616 -18.065 -11.206 1.00 0.00 H new ATOM 0 HA THR A 19 5.668 -16.456 -13.677 1.00 0.00 H new ATOM 0 HB THR A 19 3.446 -15.526 -12.826 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.237 -17.048 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.135 -17.341 -13.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.604 -16.965 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.551 -18.413 -13.768 1.00 0.00 H new ATOM 265 N ALA A 20 5.290 -15.347 -10.576 1.00 0.00 N ATOM 266 CA ALA A 20 5.698 -14.300 -9.648 1.00 0.00 C ATOM 267 C ALA A 20 6.912 -14.736 -8.837 1.00 0.00 C ATOM 268 O ALA A 20 6.993 -14.509 -7.626 1.00 0.00 O ATOM 269 CB ALA A 20 4.545 -13.919 -8.730 1.00 0.00 C ATOM 0 H ALA A 20 4.575 -15.976 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 20 5.978 -13.421 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.869 -13.136 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.709 -13.555 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.230 -14.793 -8.160 1.00 0.00 H new ATOM 275 N ALA A 21 7.857 -15.349 -9.528 1.00 0.00 N ATOM 276 CA ALA A 21 9.084 -15.833 -8.912 1.00 0.00 C ATOM 277 C ALA A 21 10.059 -14.685 -8.619 1.00 0.00 C ATOM 278 O ALA A 21 10.574 -14.593 -7.504 1.00 0.00 O ATOM 279 CB ALA A 21 9.740 -16.890 -9.792 1.00 0.00 C ATOM 0 H ALA A 21 7.797 -15.526 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 21 8.821 -16.289 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.656 -17.241 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.056 -17.728 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.978 -16.458 -10.764 1.00 0.00 H new ATOM 285 N PRO A 22 10.329 -13.778 -9.594 1.00 0.00 N ATOM 286 CA PRO A 22 11.235 -12.640 -9.379 1.00 0.00 C ATOM 287 C PRO A 22 10.601 -11.522 -8.549 1.00 0.00 C ATOM 288 O PRO A 22 10.785 -10.341 -8.840 1.00 0.00 O ATOM 289 CB PRO A 22 11.527 -12.153 -10.796 1.00 0.00 C ATOM 290 CG PRO A 22 10.308 -12.503 -11.570 1.00 0.00 C ATOM 291 CD PRO A 22 9.803 -13.790 -10.979 1.00 0.00 C ATOM 0 HA PRO A 22 12.122 -12.932 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.715 -11.079 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.412 -12.639 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.557 -11.717 -11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.538 -12.623 -12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.714 -13.835 -10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.165 -14.654 -11.536 1.00 0.00 H new ATOM 299 N GLN A 23 9.855 -11.912 -7.516 1.00 0.00 N ATOM 300 CA GLN A 23 9.215 -10.965 -6.607 1.00 0.00 C ATOM 301 C GLN A 23 8.282 -10.021 -7.360 1.00 0.00 C ATOM 302 O GLN A 23 8.231 -8.824 -7.083 1.00 0.00 O ATOM 303 CB GLN A 23 10.271 -10.168 -5.832 1.00 0.00 C ATOM 304 CG GLN A 23 11.184 -11.041 -4.987 1.00 0.00 C ATOM 305 CD GLN A 23 10.433 -11.794 -3.904 1.00 0.00 C ATOM 306 OE1 GLN A 23 10.787 -12.916 -3.554 1.00 0.00 O ATOM 307 NE2 GLN A 23 9.412 -11.166 -3.340 1.00 0.00 N ATOM 0 H GLN A 23 9.678 -12.890 -7.287 1.00 0.00 H new ATOM 0 HA GLN A 23 8.615 -11.535 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.876 -9.598 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.770 -9.447 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.697 -11.755 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.951 -10.419 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.148 -10.234 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.890 -11.615 -2.587 1.00 0.00 H new ATOM 316 N THR A 24 7.532 -10.574 -8.306 1.00 0.00 N ATOM 317 CA THR A 24 6.583 -9.797 -9.095 1.00 0.00 C ATOM 318 C THR A 24 5.438 -9.280 -8.219 1.00 0.00 C ATOM 319 O THR A 24 4.737 -8.330 -8.576 1.00 0.00 O ATOM 320 CB THR A 24 6.010 -10.655 -10.237 1.00 0.00 C ATOM 321 OG1 THR A 24 7.048 -11.498 -10.763 1.00 0.00 O ATOM 322 CG2 THR A 24 5.440 -9.781 -11.349 1.00 0.00 C ATOM 0 H THR A 24 7.563 -11.565 -8.547 1.00 0.00 H new ATOM 0 HA THR A 24 7.115 -8.944 -9.516 1.00 0.00 H new ATOM 0 HB THR A 24 5.200 -11.266 -9.840 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.708 -11.989 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.042 -10.414 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.641 -9.157 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.228 -9.146 -11.753 1.00 0.00 H new ATOM 330 N ARG A 25 5.274 -9.901 -7.053 1.00 0.00 N ATOM 331 CA ARG A 25 4.213 -9.527 -6.119 1.00 0.00 C ATOM 332 C ARG A 25 4.516 -8.184 -5.456 1.00 0.00 C ATOM 333 O ARG A 25 3.617 -7.511 -4.950 1.00 0.00 O ATOM 334 CB ARG A 25 4.039 -10.616 -5.055 1.00 0.00 C ATOM 335 CG ARG A 25 5.283 -10.850 -4.209 1.00 0.00 C ATOM 336 CD ARG A 25 5.106 -12.025 -3.259 1.00 0.00 C ATOM 337 NE ARG A 25 3.959 -11.853 -2.366 1.00 0.00 N ATOM 338 CZ ARG A 25 4.047 -11.787 -1.036 1.00 0.00 C ATOM 339 NH1 ARG A 25 5.225 -11.862 -0.432 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 2.947 -11.657 -0.308 1.00 0.00 N ATOM 0 H ARG A 25 5.864 -10.668 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 25 3.284 -9.427 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.211 -10.343 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.763 -11.550 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.137 -11.035 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.508 -9.950 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.979 -12.940 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.011 -12.147 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 25 3.033 -11.779 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.075 -11.971 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.281 -11.810 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.036 -11.608 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.011 -11.606 0.709 1.00 0.00 H new ATOM 354 N LEU A 26 5.787 -7.804 -5.469 1.00 0.00 N ATOM 355 CA LEU A 26 6.230 -6.543 -4.893 1.00 0.00 C ATOM 356 C LEU A 26 7.648 -6.250 -5.360 1.00 0.00 C ATOM 357 O LEU A 26 8.605 -6.355 -4.593 1.00 0.00 O ATOM 358 CB LEU A 26 6.169 -6.591 -3.361 1.00 0.00 C ATOM 359 CG LEU A 26 6.515 -5.280 -2.648 1.00 0.00 C ATOM 360 CD1 LEU A 26 5.500 -4.203 -2.990 1.00 0.00 C ATOM 361 CD2 LEU A 26 6.588 -5.496 -1.143 1.00 0.00 C ATOM 0 H LEU A 26 6.538 -8.360 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 26 5.566 -5.746 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.165 -6.892 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.851 -7.366 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 26 7.494 -4.946 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.762 -3.279 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.501 -4.031 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.507 -4.525 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.835 -4.555 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.624 -5.853 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.357 -6.235 -0.918 1.00 0.00 H new ATOM 373 N THR A 27 7.774 -5.923 -6.634 1.00 0.00 N ATOM 374 CA THR A 27 9.070 -5.648 -7.230 1.00 0.00 C ATOM 375 C THR A 27 9.735 -4.423 -6.586 1.00 0.00 C ATOM 376 O THR A 27 10.870 -4.518 -6.113 1.00 0.00 O ATOM 377 CB THR A 27 8.935 -5.468 -8.751 1.00 0.00 C ATOM 378 OG1 THR A 27 8.164 -6.554 -9.284 1.00 0.00 O ATOM 379 CG2 THR A 27 10.299 -5.435 -9.415 1.00 0.00 C ATOM 0 H THR A 27 6.989 -5.841 -7.280 1.00 0.00 H new ATOM 0 HA THR A 27 9.716 -6.505 -7.041 1.00 0.00 H new ATOM 0 HB THR A 27 8.435 -4.520 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.217 -7.321 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.177 -5.307 -10.491 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.879 -4.604 -9.014 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.822 -6.371 -9.218 1.00 0.00 H new ATOM 387 N PRO A 28 9.060 -3.256 -6.548 1.00 0.00 N ATOM 388 CA PRO A 28 9.550 -2.114 -5.785 1.00 0.00 C ATOM 389 C PRO A 28 9.207 -2.268 -4.306 1.00 0.00 C ATOM 390 O PRO A 28 8.048 -2.132 -3.911 1.00 0.00 O ATOM 391 CB PRO A 28 8.808 -0.931 -6.403 1.00 0.00 C ATOM 392 CG PRO A 28 7.528 -1.500 -6.915 1.00 0.00 C ATOM 393 CD PRO A 28 7.791 -2.948 -7.243 1.00 0.00 C ATOM 0 HA PRO A 28 10.633 -2.001 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.625 -0.151 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.388 -0.478 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.740 -1.411 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.192 -0.959 -7.799 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.981 -3.588 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.879 -3.103 -8.318 1.00 0.00 H new ATOM 401 N TYR A 29 10.207 -2.577 -3.491 1.00 0.00 N ATOM 402 CA TYR A 29 9.976 -2.841 -2.079 1.00 0.00 C ATOM 403 C TYR A 29 9.706 -1.539 -1.326 1.00 0.00 C ATOM 404 O TYR A 29 10.603 -0.951 -0.718 1.00 0.00 O ATOM 405 CB TYR A 29 11.173 -3.575 -1.467 1.00 0.00 C ATOM 406 CG TYR A 29 10.806 -4.428 -0.275 1.00 0.00 C ATOM 407 CD1 TYR A 29 10.525 -3.855 0.956 1.00 0.00 C ATOM 408 CD2 TYR A 29 10.726 -5.811 -0.386 1.00 0.00 C ATOM 409 CE1 TYR A 29 10.173 -4.632 2.041 1.00 0.00 C ATOM 410 CE2 TYR A 29 10.369 -6.595 0.693 1.00 0.00 C ATOM 411 CZ TYR A 29 10.099 -6.002 1.906 1.00 0.00 C ATOM 412 OH TYR A 29 9.730 -6.775 2.983 1.00 0.00 O ATOM 0 H TYR A 29 11.182 -2.651 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 29 9.097 -3.479 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 29 11.632 -4.206 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.923 -2.844 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.583 -2.782 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.947 -6.281 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.956 -4.169 2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.302 -7.668 0.586 1.00 0.00 H new ATOM 0 HH TYR A 29 9.726 -7.719 2.722 1.00 0.00 H new ATOM 422 N ALA A 30 8.460 -1.093 -1.382 1.00 0.00 N ATOM 423 CA ALA A 30 8.048 0.134 -0.720 1.00 0.00 C ATOM 424 C ALA A 30 7.751 -0.108 0.757 1.00 0.00 C ATOM 425 O ALA A 30 6.594 -0.091 1.183 1.00 0.00 O ATOM 426 CB ALA A 30 6.831 0.722 -1.420 1.00 0.00 C ATOM 0 H ALA A 30 7.711 -1.569 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 30 8.870 0.847 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.530 1.641 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.079 0.942 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.011 0.005 -1.387 1.00 0.00 H new ATOM 432 N GLN A 31 8.799 -0.332 1.537 1.00 0.00 N ATOM 433 CA GLN A 31 8.648 -0.557 2.970 1.00 0.00 C ATOM 434 C GLN A 31 8.613 0.768 3.729 1.00 0.00 C ATOM 435 O GLN A 31 9.530 1.100 4.479 1.00 0.00 O ATOM 436 CB GLN A 31 9.769 -1.460 3.503 1.00 0.00 C ATOM 437 CG GLN A 31 11.171 -1.014 3.116 1.00 0.00 C ATOM 438 CD GLN A 31 12.254 -1.906 3.701 1.00 0.00 C ATOM 439 OE1 GLN A 31 13.312 -2.085 3.102 1.00 0.00 O ATOM 440 NE2 GLN A 31 11.998 -2.470 4.871 1.00 0.00 N ATOM 0 H GLN A 31 9.762 -0.363 1.203 1.00 0.00 H new ATOM 0 HA GLN A 31 7.697 -1.065 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.701 -1.501 4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.609 -2.474 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.259 -1.008 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.328 0.010 3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.107 -2.296 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.691 -3.078 5.307 1.00 0.00 H new ATOM 449 N ALA A 32 7.558 1.534 3.510 1.00 0.00 N ATOM 450 CA ALA A 32 7.390 2.810 4.190 1.00 0.00 C ATOM 451 C ALA A 32 6.498 2.656 5.413 1.00 0.00 C ATOM 452 O ALA A 32 6.766 3.224 6.472 1.00 0.00 O ATOM 453 CB ALA A 32 6.807 3.842 3.237 1.00 0.00 C ATOM 0 H ALA A 32 6.803 1.296 2.866 1.00 0.00 H new ATOM 0 HA ALA A 32 8.370 3.153 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.687 4.792 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.480 3.976 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.836 3.499 2.879 1.00 0.00 H new ATOM 459 N GLY A 33 5.442 1.877 5.259 1.00 0.00 N ATOM 460 CA GLY A 33 4.525 1.640 6.350 1.00 0.00 C ATOM 461 C GLY A 33 4.175 0.177 6.455 1.00 0.00 C ATOM 462 O GLY A 33 3.220 -0.285 5.837 1.00 0.00 O ATOM 0 H GLY A 33 5.202 1.401 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.972 1.979 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.617 2.225 6.200 1.00 0.00 H new ATOM 466 N GLU A 34 4.954 -0.553 7.233 1.00 0.00 N ATOM 467 CA GLU A 34 4.784 -1.992 7.349 1.00 0.00 C ATOM 468 C GLU A 34 3.875 -2.330 8.520 1.00 0.00 C ATOM 469 O GLU A 34 3.417 -3.466 8.664 1.00 0.00 O ATOM 470 CB GLU A 34 6.144 -2.662 7.544 1.00 0.00 C ATOM 471 CG GLU A 34 7.169 -2.295 6.483 1.00 0.00 C ATOM 472 CD GLU A 34 6.823 -2.840 5.114 1.00 0.00 C ATOM 473 OE1 GLU A 34 6.125 -2.148 4.350 1.00 0.00 O1- ATOM 474 OE2 GLU A 34 7.259 -3.968 4.794 1.00 0.00 O ATOM 0 H GLU A 34 5.714 -0.172 7.796 1.00 0.00 H new ATOM 0 HA GLU A 34 4.326 -2.361 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.536 -2.388 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.008 -3.744 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.252 -1.210 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.146 -2.674 6.783 1.00 0.00 H new ATOM 481 N ASP A 35 3.612 -1.331 9.345 1.00 0.00 N ATOM 482 CA ASP A 35 2.855 -1.529 10.576 1.00 0.00 C ATOM 483 C ASP A 35 1.570 -0.711 10.584 1.00 0.00 C ATOM 484 O ASP A 35 0.475 -1.249 10.422 1.00 0.00 O ATOM 485 CB ASP A 35 3.702 -1.139 11.792 1.00 0.00 C ATOM 486 CG ASP A 35 5.020 -1.880 11.855 1.00 0.00 C ATOM 487 OD1 ASP A 35 5.052 -3.005 12.399 1.00 0.00 O ATOM 488 OD2 ASP A 35 6.035 -1.333 11.372 1.00 0.00 O1- ATOM 0 H ASP A 35 3.912 -0.369 9.186 1.00 0.00 H new ATOM 0 HA ASP A 35 2.595 -2.586 10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.895 -0.067 11.765 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.135 -1.338 12.702 1.00 0.00 H new ATOM 493 N ASN A 36 1.706 0.594 10.773 1.00 0.00 N ATOM 494 CA ASN A 36 0.549 1.466 10.926 1.00 0.00 C ATOM 495 C ASN A 36 0.465 2.443 9.760 1.00 0.00 C ATOM 496 O ASN A 36 0.834 3.609 9.881 1.00 0.00 O ATOM 497 CB ASN A 36 0.647 2.225 12.257 1.00 0.00 C ATOM 498 CG ASN A 36 -0.668 2.853 12.681 1.00 0.00 C ATOM 499 OD1 ASN A 36 -0.976 3.995 12.334 1.00 0.00 O ATOM 500 ND2 ASN A 36 -1.451 2.112 13.454 1.00 0.00 N ATOM 0 H ASN A 36 2.605 1.072 10.824 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.357 0.860 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.984 1.540 13.035 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.404 3.005 12.169 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.342 2.483 13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.162 1.171 13.720 1.00 0.00 H new ATOM 507 N TRP A 37 -0.006 1.958 8.620 1.00 0.00 N ATOM 508 CA TRP A 37 -0.082 2.785 7.428 1.00 0.00 C ATOM 509 C TRP A 37 -1.523 2.920 6.946 1.00 0.00 C ATOM 510 O TRP A 37 -1.935 3.988 6.499 1.00 0.00 O ATOM 511 CB TRP A 37 0.779 2.188 6.314 1.00 0.00 C ATOM 512 CG TRP A 37 1.349 3.201 5.381 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.441 4.549 5.575 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.946 2.931 4.118 1.00 0.00 C ATOM 515 NE1 TRP A 37 2.056 5.135 4.496 1.00 0.00 N ATOM 516 CE2 TRP A 37 2.376 4.158 3.587 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.155 1.763 3.384 1.00 0.00 C ATOM 518 CZ2 TRP A 37 3.009 4.248 2.352 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.782 1.851 2.162 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.201 3.085 1.658 1.00 0.00 C ATOM 0 H TRP A 37 -0.339 1.002 8.497 1.00 0.00 H new ATOM 0 HA TRP A 37 0.293 3.776 7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.595 1.622 6.763 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.177 1.481 5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.083 5.076 6.447 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.244 6.132 4.388 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.831 0.807 3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.336 5.198 1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.952 0.954 1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.689 3.122 0.695 1.00 0.00 H new ATOM 531 N ARG A 38 -2.292 1.838 7.061 1.00 0.00 N ATOM 532 CA ARG A 38 -3.651 1.807 6.524 1.00 0.00 C ATOM 533 C ARG A 38 -4.552 2.751 7.301 1.00 0.00 C ATOM 534 O ARG A 38 -5.500 3.315 6.758 1.00 0.00 O ATOM 535 CB ARG A 38 -4.229 0.385 6.541 1.00 0.00 C ATOM 536 CG ARG A 38 -4.582 -0.142 7.928 1.00 0.00 C ATOM 537 CD ARG A 38 -5.136 -1.561 7.872 1.00 0.00 C ATOM 538 NE ARG A 38 -4.075 -2.561 7.768 1.00 0.00 N ATOM 539 CZ ARG A 38 -4.259 -3.812 7.338 1.00 0.00 C ATOM 540 NH1 ARG A 38 -5.449 -4.221 6.908 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -3.241 -4.658 7.342 1.00 0.00 N ATOM 0 H ARG A 38 -1.999 0.975 7.519 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.604 2.138 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.125 0.364 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.508 -0.292 6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.694 -0.123 8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.317 0.517 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.729 -1.754 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.807 -1.655 7.018 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.132 -2.285 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.239 -3.576 6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.572 -5.180 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.325 -4.353 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.372 -5.615 7.015 1.00 0.00 H new ATOM 555 N SER A 39 -4.237 2.930 8.572 1.00 0.00 N ATOM 556 CA SER A 39 -4.957 3.858 9.419 1.00 0.00 C ATOM 557 C SER A 39 -4.727 5.288 8.946 1.00 0.00 C ATOM 558 O SER A 39 -5.637 6.117 8.965 1.00 0.00 O ATOM 559 CB SER A 39 -4.482 3.673 10.855 1.00 0.00 C ATOM 560 OG SER A 39 -3.122 3.267 10.862 1.00 0.00 O ATOM 0 H SER A 39 -3.478 2.437 9.042 1.00 0.00 H new ATOM 0 HA SER A 39 -6.028 3.661 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.596 4.605 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.097 2.926 11.358 1.00 0.00 H new ATOM 0 HG SER A 39 -2.606 3.862 11.445 1.00 0.00 H new ATOM 566 N ARG A 40 -3.510 5.558 8.483 1.00 0.00 N ATOM 567 CA ARG A 40 -3.161 6.862 7.985 1.00 0.00 C ATOM 568 C ARG A 40 -3.809 7.079 6.623 1.00 0.00 C ATOM 569 O ARG A 40 -4.316 8.161 6.319 1.00 0.00 O ATOM 570 CB ARG A 40 -1.647 6.972 7.865 1.00 0.00 C ATOM 571 CG ARG A 40 -0.880 6.463 9.077 1.00 0.00 C ATOM 572 CD ARG A 40 -1.279 7.192 10.352 1.00 0.00 C ATOM 573 NE ARG A 40 -1.071 8.637 10.259 1.00 0.00 N ATOM 574 CZ ARG A 40 -1.383 9.500 11.228 1.00 0.00 C ATOM 575 NH1 ARG A 40 -1.859 9.058 12.388 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 -1.195 10.802 11.046 1.00 0.00 N ATOM 0 H ARG A 40 -2.751 4.877 8.447 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.521 7.625 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.323 6.415 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.383 8.016 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.061 5.395 9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.190 6.588 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.329 6.992 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.701 6.798 11.188 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.662 9.008 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.986 8.057 12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.097 9.720 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.812 11.144 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.434 11.460 11.788 1.00 0.00 H new ATOM 590 N ILE A 41 -3.778 6.031 5.806 1.00 0.00 N ATOM 591 CA ILE A 41 -4.404 6.056 4.493 1.00 0.00 C ATOM 592 C ILE A 41 -5.906 6.287 4.634 1.00 0.00 C ATOM 593 O ILE A 41 -6.497 7.064 3.887 1.00 0.00 O ATOM 594 CB ILE A 41 -4.159 4.730 3.735 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.666 4.539 3.461 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.954 4.692 2.434 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.327 3.209 2.829 1.00 0.00 C ATOM 0 H ILE A 41 -3.322 5.148 6.035 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.958 6.871 3.924 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.503 3.909 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.321 5.340 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.119 4.635 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.765 3.750 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.018 4.778 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.648 5.521 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.251 3.148 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.640 2.401 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.845 3.117 1.874 1.00 0.00 H new ATOM 609 N SER A 42 -6.512 5.610 5.611 1.00 0.00 N ATOM 610 CA SER A 42 -7.938 5.762 5.893 1.00 0.00 C ATOM 611 C SER A 42 -8.292 7.226 6.153 1.00 0.00 C ATOM 612 O SER A 42 -9.338 7.703 5.711 1.00 0.00 O ATOM 613 CB SER A 42 -8.327 4.899 7.099 1.00 0.00 C ATOM 614 OG SER A 42 -9.722 4.957 7.361 1.00 0.00 O ATOM 0 H SER A 42 -6.033 4.948 6.222 1.00 0.00 H new ATOM 0 HA SER A 42 -8.499 5.429 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.034 3.865 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.778 5.235 7.979 1.00 0.00 H new ATOM 0 HG SER A 42 -9.933 4.394 8.135 1.00 0.00 H new ATOM 620 N GLY A 43 -7.417 7.936 6.866 1.00 0.00 N ATOM 621 CA GLY A 43 -7.631 9.353 7.108 1.00 0.00 C ATOM 622 C GLY A 43 -7.610 10.157 5.819 1.00 0.00 C ATOM 623 O GLY A 43 -8.433 11.050 5.613 1.00 0.00 O ATOM 0 H GLY A 43 -6.566 7.555 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.588 9.495 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.860 9.727 7.782 1.00 0.00 H new ATOM 627 N ARG A 44 -6.682 9.817 4.936 1.00 0.00 N ATOM 628 CA ARG A 44 -6.556 10.481 3.661 1.00 0.00 C ATOM 629 C ARG A 44 -7.737 10.145 2.756 1.00 0.00 C ATOM 630 O ARG A 44 -8.184 10.976 1.973 1.00 0.00 O ATOM 631 CB ARG A 44 -5.258 10.055 2.998 1.00 0.00 C ATOM 632 CG ARG A 44 -4.093 10.988 3.261 1.00 0.00 C ATOM 633 CD ARG A 44 -3.658 10.940 4.713 1.00 0.00 C ATOM 634 NE ARG A 44 -2.562 11.873 4.973 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.318 12.431 6.156 1.00 0.00 C ATOM 636 NH1 ARG A 44 -3.083 12.146 7.205 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.300 13.273 6.294 1.00 0.00 N ATOM 0 H ARG A 44 -6.000 9.074 5.089 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.548 11.559 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.995 9.056 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.418 9.985 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.255 10.715 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.376 12.007 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.504 11.182 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.344 9.928 4.967 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.945 12.111 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.863 11.496 7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.890 12.577 8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.706 13.491 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.112 13.701 7.200 1.00 0.00 H new ATOM 651 N LEU A 45 -8.229 8.918 2.871 1.00 0.00 N ATOM 652 CA LEU A 45 -9.376 8.460 2.095 1.00 0.00 C ATOM 653 C LEU A 45 -10.617 9.252 2.500 1.00 0.00 C ATOM 654 O LEU A 45 -11.532 9.471 1.707 1.00 0.00 O ATOM 655 CB LEU A 45 -9.581 6.962 2.349 1.00 0.00 C ATOM 656 CG LEU A 45 -10.115 6.152 1.168 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.704 4.696 1.314 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.629 6.258 1.070 1.00 0.00 C ATOM 0 H LEU A 45 -7.846 8.214 3.502 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.199 8.619 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.628 6.532 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.270 6.846 3.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.687 6.560 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.087 4.123 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.617 4.625 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.113 4.294 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.981 5.672 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.080 5.877 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.913 7.301 0.933 1.00 0.00 H new ATOM 670 N ASN A 46 -10.598 9.709 3.741 1.00 0.00 N ATOM 671 CA ASN A 46 -11.693 10.475 4.322 1.00 0.00 C ATOM 672 C ASN A 46 -11.729 11.864 3.716 1.00 0.00 C ATOM 673 O ASN A 46 -12.801 12.422 3.467 1.00 0.00 O ATOM 674 CB ASN A 46 -11.531 10.554 5.847 1.00 0.00 C ATOM 675 CG ASN A 46 -12.667 11.293 6.527 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.703 10.704 6.840 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.472 12.576 6.789 1.00 0.00 N ATOM 0 H ASN A 46 -9.817 9.559 4.380 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.636 9.975 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.468 9.544 6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.590 11.051 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.194 13.114 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.599 13.026 6.513 1.00 0.00 H new ATOM 684 N ARG A 47 -10.538 12.408 3.477 1.00 0.00 N ATOM 685 CA ARG A 47 -10.374 13.683 2.821 1.00 0.00 C ATOM 686 C ARG A 47 -11.052 13.675 1.455 1.00 0.00 C ATOM 687 O ARG A 47 -11.489 14.712 0.957 1.00 0.00 O ATOM 688 CB ARG A 47 -8.877 13.970 2.702 1.00 0.00 C ATOM 689 CG ARG A 47 -8.313 13.929 1.286 1.00 0.00 C ATOM 690 CD ARG A 47 -6.807 14.147 1.299 1.00 0.00 C ATOM 691 NE ARG A 47 -6.213 14.044 -0.033 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.899 14.095 -0.271 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.045 14.305 0.725 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.443 13.952 -1.510 1.00 0.00 N ATOM 0 H ARG A 47 -9.658 11.964 3.739 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.848 14.472 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.678 14.955 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.336 13.246 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.542 12.968 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.791 14.696 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.590 15.131 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.343 13.413 1.958 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.840 13.926 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.391 14.428 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.043 14.343 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.096 13.803 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.440 13.991 -1.692 1.00 0.00 H new ATOM 708 N PHE A 48 -11.146 12.495 0.853 1.00 0.00 N ATOM 709 CA PHE A 48 -11.864 12.360 -0.396 1.00 0.00 C ATOM 710 C PHE A 48 -13.332 12.076 -0.120 1.00 0.00 C ATOM 711 O PHE A 48 -14.212 12.819 -0.557 1.00 0.00 O ATOM 712 CB PHE A 48 -11.265 11.254 -1.268 1.00 0.00 C ATOM 713 CG PHE A 48 -9.858 11.528 -1.720 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.611 12.390 -2.776 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.785 10.914 -1.096 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.320 12.636 -3.201 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.490 11.156 -1.515 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.257 12.017 -2.570 1.00 0.00 C ATOM 0 H PHE A 48 -10.737 11.631 1.209 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.774 13.299 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.281 10.317 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.897 11.114 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.438 12.876 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.962 10.238 -0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.141 13.311 -4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.662 10.673 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.247 12.206 -2.901 1.00 0.00 H new ATOM 728 N LYS A 49 -13.565 11.001 0.627 1.00 0.00 N ATOM 729 CA LYS A 49 -14.888 10.615 1.111 1.00 0.00 C ATOM 730 C LYS A 49 -14.799 9.261 1.774 1.00 0.00 C ATOM 731 O LYS A 49 -14.703 8.244 1.097 1.00 0.00 O ATOM 732 CB LYS A 49 -15.929 10.538 -0.007 1.00 0.00 C ATOM 733 CG LYS A 49 -16.970 11.646 0.061 1.00 0.00 C ATOM 734 CD LYS A 49 -17.893 11.626 -1.143 1.00 0.00 C ATOM 735 CE LYS A 49 -17.151 11.998 -2.416 1.00 0.00 C ATOM 736 NZ LYS A 49 -16.539 13.350 -2.321 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.826 10.361 0.919 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.208 11.384 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.421 10.585 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.433 9.573 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.558 11.537 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.469 12.612 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.330 10.634 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.717 12.322 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.374 11.260 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.840 11.969 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.281 13.682 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.221 14.011 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.686 13.304 -1.728 1.00 0.00 H new ATOM 750 N ARG A 50 -14.812 9.240 3.090 1.00 0.00 N ATOM 751 CA ARG A 50 -14.819 7.984 3.801 1.00 0.00 C ATOM 752 C ARG A 50 -16.183 7.771 4.427 1.00 0.00 C ATOM 753 O ARG A 50 -16.515 8.386 5.438 1.00 0.00 O ATOM 754 CB ARG A 50 -13.735 7.963 4.876 1.00 0.00 C ATOM 755 CG ARG A 50 -13.507 6.593 5.484 1.00 0.00 C ATOM 756 CD ARG A 50 -12.449 6.641 6.572 1.00 0.00 C ATOM 757 NE ARG A 50 -12.881 7.435 7.723 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.175 7.562 8.845 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.988 6.970 8.960 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.662 8.281 9.850 1.00 0.00 N ATOM 0 H ARG A 50 -14.818 10.070 3.682 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.611 7.178 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.800 8.319 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.007 8.661 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.442 6.217 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.200 5.894 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.218 5.627 6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.530 7.063 6.165 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.776 7.920 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.617 6.417 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.450 7.069 9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.572 8.732 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.126 8.382 10.712 1.00 0.00 H new ATOM 774 N TYR A 51 -16.976 6.916 3.809 1.00 0.00 N ATOM 775 CA TYR A 51 -18.293 6.603 4.322 1.00 0.00 C ATOM 776 C TYR A 51 -18.151 5.744 5.567 1.00 0.00 C ATOM 777 O TYR A 51 -17.383 4.782 5.566 1.00 0.00 O ATOM 778 CB TYR A 51 -19.112 5.871 3.259 1.00 0.00 C ATOM 779 CG TYR A 51 -20.600 6.090 3.402 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.201 7.221 2.867 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.398 5.181 4.078 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.557 7.440 3.002 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.754 5.393 4.219 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.330 6.523 3.679 1.00 0.00 C ATOM 785 OH TYR A 51 -24.682 6.738 3.823 1.00 0.00 O ATOM 0 H TYR A 51 -16.729 6.426 2.949 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.814 7.526 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.795 6.205 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.901 4.803 3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.597 7.942 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.952 4.293 4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -23.009 8.325 2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.362 4.676 4.751 1.00 0.00 H new ATOM 0 HH TYR A 51 -25.080 5.996 4.325 1.00 0.00 H new ATOM 795 N PRO A 52 -18.859 6.103 6.651 1.00 0.00 N ATOM 796 CA PRO A 52 -18.795 5.369 7.917 1.00 0.00 C ATOM 797 C PRO A 52 -19.007 3.871 7.724 1.00 0.00 C ATOM 798 O PRO A 52 -19.976 3.447 7.089 1.00 0.00 O ATOM 799 CB PRO A 52 -19.940 5.972 8.729 1.00 0.00 C ATOM 800 CG PRO A 52 -20.085 7.354 8.199 1.00 0.00 C ATOM 801 CD PRO A 52 -19.769 7.262 6.732 1.00 0.00 C ATOM 0 HA PRO A 52 -17.821 5.459 8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.860 5.400 8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.711 5.978 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.095 7.731 8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.405 8.040 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.669 7.109 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.294 8.172 6.365 1.00 0.00 H new ATOM 809 N LYS A 53 -18.113 3.082 8.320 1.00 0.00 N ATOM 810 CA LYS A 53 -18.080 1.632 8.125 1.00 0.00 C ATOM 811 C LYS A 53 -19.376 0.980 8.585 1.00 0.00 C ATOM 812 O LYS A 53 -19.693 -0.130 8.167 1.00 0.00 O ATOM 813 CB LYS A 53 -16.894 1.006 8.868 1.00 0.00 C ATOM 814 CG LYS A 53 -15.520 1.504 8.420 1.00 0.00 C ATOM 815 CD LYS A 53 -15.227 1.185 6.956 1.00 0.00 C ATOM 816 CE LYS A 53 -15.753 2.268 6.025 1.00 0.00 C ATOM 817 NZ LYS A 53 -15.049 3.561 6.229 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.391 3.430 8.951 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.963 1.453 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.006 1.204 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.933 -0.076 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.461 2.582 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.752 1.052 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.152 1.076 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.681 0.229 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.632 1.948 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.821 2.405 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.739 4.339 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.566 3.552 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.349 3.698 5.472 1.00 0.00 H new ATOM 831 N ASP A 54 -20.107 1.674 9.450 1.00 0.00 N ATOM 832 CA ASP A 54 -21.374 1.175 9.979 1.00 0.00 C ATOM 833 C ASP A 54 -22.312 0.765 8.844 1.00 0.00 C ATOM 834 O ASP A 54 -23.018 -0.235 8.939 1.00 0.00 O ATOM 835 CB ASP A 54 -22.047 2.256 10.825 1.00 0.00 C ATOM 836 CG ASP A 54 -23.092 1.705 11.782 1.00 0.00 C ATOM 837 OD1 ASP A 54 -23.949 0.902 11.360 1.00 0.00 O ATOM 838 OD2 ASP A 54 -23.063 2.085 12.971 1.00 0.00 O1- ATOM 0 H ASP A 54 -19.841 2.593 9.804 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.165 0.301 10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.286 2.788 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.517 2.985 10.165 1.00 0.00 H new ATOM 843 N ALA A 55 -22.304 1.540 7.769 1.00 0.00 N ATOM 844 CA ALA A 55 -23.125 1.235 6.607 1.00 0.00 C ATOM 845 C ALA A 55 -22.530 0.088 5.799 1.00 0.00 C ATOM 846 O ALA A 55 -23.239 -0.825 5.382 1.00 0.00 O ATOM 847 CB ALA A 55 -23.289 2.470 5.739 1.00 0.00 C ATOM 0 H ALA A 55 -21.738 2.384 7.678 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.108 0.921 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.905 2.227 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.770 3.260 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.310 2.811 5.403 1.00 0.00 H new ATOM 853 N LEU A 56 -21.218 0.133 5.606 1.00 0.00 N ATOM 854 CA LEU A 56 -20.516 -0.846 4.776 1.00 0.00 C ATOM 855 C LEU A 56 -20.612 -2.249 5.371 1.00 0.00 C ATOM 856 O LEU A 56 -20.824 -3.220 4.651 1.00 0.00 O ATOM 857 CB LEU A 56 -19.031 -0.471 4.614 1.00 0.00 C ATOM 858 CG LEU A 56 -18.710 0.792 3.791 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.349 0.735 2.418 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.140 2.056 4.514 1.00 0.00 C ATOM 0 H LEU A 56 -20.611 0.843 6.016 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.999 -0.839 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.604 -0.344 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.518 -1.315 4.152 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.627 0.821 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.103 1.641 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.974 -0.134 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.431 0.657 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.897 2.925 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.215 2.026 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.617 2.126 5.468 1.00 0.00 H new ATOM 872 N ARG A 57 -20.478 -2.346 6.693 1.00 0.00 N ATOM 873 CA ARG A 57 -20.500 -3.638 7.383 1.00 0.00 C ATOM 874 C ARG A 57 -21.838 -4.352 7.186 1.00 0.00 C ATOM 875 O ARG A 57 -21.942 -5.564 7.372 1.00 0.00 O ATOM 876 CB ARG A 57 -20.243 -3.447 8.881 1.00 0.00 C ATOM 877 CG ARG A 57 -21.339 -2.656 9.571 1.00 0.00 C ATOM 878 CD ARG A 57 -21.087 -2.502 11.060 1.00 0.00 C ATOM 879 NE ARG A 57 -22.132 -1.706 11.703 1.00 0.00 N ATOM 880 CZ ARG A 57 -22.461 -1.802 12.992 1.00 0.00 C ATOM 881 NH1 ARG A 57 -21.844 -2.671 13.783 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -23.413 -1.027 13.487 1.00 0.00 N ATOM 0 H ARG A 57 -20.353 -1.544 7.310 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.711 -4.254 6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.152 -4.424 9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.290 -2.935 9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -21.415 -1.670 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.296 -3.154 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.040 -3.486 11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.118 -2.028 11.219 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.642 -1.034 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.111 -3.273 13.406 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -22.102 -2.737 14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -23.892 -0.359 12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.667 -1.098 14.472 1.00 0.00 H new ATOM 896 N LEU A 58 -22.859 -3.589 6.817 1.00 0.00 N ATOM 897 CA LEU A 58 -24.191 -4.136 6.619 1.00 0.00 C ATOM 898 C LEU A 58 -24.615 -3.992 5.162 1.00 0.00 C ATOM 899 O LEU A 58 -25.787 -4.152 4.829 1.00 0.00 O ATOM 900 CB LEU A 58 -25.194 -3.417 7.529 1.00 0.00 C ATOM 901 CG LEU A 58 -24.888 -3.482 9.029 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.894 -2.650 9.811 1.00 0.00 C ATOM 903 CD2 LEU A 58 -24.894 -4.924 9.517 1.00 0.00 C ATOM 0 H LEU A 58 -22.787 -2.586 6.649 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.173 -5.196 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.243 -2.370 7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -26.183 -3.843 7.359 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.893 -3.070 9.195 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -25.664 -2.706 10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -25.841 -1.612 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.899 -3.035 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -24.675 -4.948 10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -25.875 -5.365 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -24.137 -5.494 8.978 1.00 0.00 H new ATOM 915 N LYS A 59 -23.660 -3.693 4.290 1.00 0.00 N ATOM 916 CA LYS A 59 -23.970 -3.466 2.887 1.00 0.00 C ATOM 917 C LYS A 59 -22.797 -3.832 1.981 1.00 0.00 C ATOM 918 O LYS A 59 -22.819 -4.859 1.303 1.00 0.00 O ATOM 919 CB LYS A 59 -24.375 -2.005 2.662 1.00 0.00 C ATOM 920 CG LYS A 59 -24.664 -1.674 1.210 1.00 0.00 C ATOM 921 CD LYS A 59 -25.116 -0.233 1.031 1.00 0.00 C ATOM 922 CE LYS A 59 -24.010 0.750 1.380 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.398 2.155 1.087 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.672 -3.603 4.528 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.806 -4.115 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.260 -1.785 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.577 -1.355 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.769 -1.849 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.435 -2.345 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.431 -0.076 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.984 -0.043 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.762 0.656 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.111 0.498 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.656 2.608 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -25.294 2.165 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.516 2.676 1.979 1.00 0.00 H new ATOM 937 N ARG A 60 -21.774 -2.993 1.967 1.00 0.00 N ATOM 938 CA ARG A 60 -20.637 -3.206 1.089 1.00 0.00 C ATOM 939 C ARG A 60 -19.404 -3.546 1.903 1.00 0.00 C ATOM 940 O ARG A 60 -18.606 -2.678 2.255 1.00 0.00 O ATOM 941 CB ARG A 60 -20.395 -1.982 0.203 1.00 0.00 C ATOM 942 CG ARG A 60 -21.575 -1.668 -0.700 1.00 0.00 C ATOM 943 CD ARG A 60 -21.954 -2.868 -1.554 1.00 0.00 C ATOM 944 NE ARG A 60 -23.254 -2.697 -2.200 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.272 -3.550 -2.062 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.167 -4.596 -1.249 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.409 -3.339 -2.711 1.00 0.00 N ATOM 0 H ARG A 60 -21.708 -2.160 2.552 1.00 0.00 H new ATOM 0 HA ARG A 60 -20.857 -4.048 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.186 -1.118 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.509 -2.152 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.429 -1.367 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.328 -0.824 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.190 -3.026 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -21.974 -3.763 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.392 -1.877 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.305 -4.751 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.948 -5.244 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.507 -2.524 -3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.186 -3.992 -2.605 1.00 0.00 H new ATOM 961 N GLN A 61 -19.284 -4.816 2.217 1.00 0.00 N ATOM 962 CA GLN A 61 -18.182 -5.319 3.010 1.00 0.00 C ATOM 963 C GLN A 61 -17.287 -6.182 2.135 1.00 0.00 C ATOM 964 O GLN A 61 -17.680 -6.546 1.031 1.00 0.00 O ATOM 965 CB GLN A 61 -18.742 -6.119 4.183 1.00 0.00 C ATOM 966 CG GLN A 61 -19.555 -7.338 3.763 1.00 0.00 C ATOM 967 CD GLN A 61 -20.513 -7.812 4.845 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.547 -8.410 4.561 1.00 0.00 O ATOM 969 NE2 GLN A 61 -20.178 -7.551 6.097 1.00 0.00 N ATOM 0 H GLN A 61 -19.950 -5.533 1.929 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.585 -4.496 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -17.916 -6.445 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.370 -5.466 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.121 -7.098 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -18.876 -8.150 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.312 -7.052 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.786 -7.849 6.860 1.00 0.00 H new ATOM 978 N GLY A 62 -16.094 -6.506 2.601 1.00 0.00 N ATOM 979 CA GLY A 62 -15.219 -7.321 1.791 1.00 0.00 C ATOM 980 C GLY A 62 -13.750 -7.100 2.064 1.00 0.00 C ATOM 981 O GLY A 62 -13.330 -5.998 2.400 1.00 0.00 O ATOM 0 H GLY A 62 -15.721 -6.226 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.456 -8.371 1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.418 -7.116 0.739 1.00 0.00 H new ATOM 985 N VAL A 63 -12.968 -8.162 1.921 1.00 0.00 N ATOM 986 CA VAL A 63 -11.523 -8.076 2.034 1.00 0.00 C ATOM 987 C VAL A 63 -10.892 -8.434 0.697 1.00 0.00 C ATOM 988 O VAL A 63 -11.154 -9.504 0.141 1.00 0.00 O ATOM 989 CB VAL A 63 -10.968 -9.020 3.123 1.00 0.00 C ATOM 990 CG1 VAL A 63 -9.458 -8.881 3.244 1.00 0.00 C ATOM 991 CG2 VAL A 63 -11.634 -8.748 4.460 1.00 0.00 C ATOM 0 H VAL A 63 -13.317 -9.100 1.725 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.274 -7.054 2.318 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.194 -10.044 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.091 -9.556 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.992 -9.133 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.207 -7.854 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.228 -9.424 5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.444 -7.717 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.709 -8.908 4.370 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.069 -7.540 0.184 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.428 -7.768 -1.089 1.00 0.00 C ATOM 1003 C GLY A 64 -8.107 -7.051 -1.176 1.00 0.00 C ATOM 1004 O GLY A 64 -7.821 -6.179 -0.365 1.00 0.00 O ATOM 0 H GLY A 64 -9.832 -6.654 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.273 -8.837 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.081 -7.429 -1.893 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.303 -7.402 -2.162 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.004 -6.778 -2.334 1.00 0.00 C ATOM 1010 C GLN A 65 -6.077 -5.754 -3.445 1.00 0.00 C ATOM 1011 O GLN A 65 -6.618 -6.021 -4.519 1.00 0.00 O ATOM 1012 CB GLN A 65 -4.929 -7.817 -2.647 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.612 -8.732 -1.481 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.501 -9.708 -1.792 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.738 -10.804 -2.296 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.276 -9.323 -1.482 1.00 0.00 N ATOM 0 H GLN A 65 -7.526 -8.116 -2.856 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.732 -6.285 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.255 -8.421 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.018 -7.304 -2.953 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.330 -8.129 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.509 -9.285 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.120 -8.405 -1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.486 -9.943 -1.660 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.555 -4.580 -3.170 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.606 -3.478 -4.102 1.00 0.00 C ATOM 1027 C VAL A 66 -4.191 -2.975 -4.370 1.00 0.00 C ATOM 1028 O VAL A 66 -3.518 -2.476 -3.471 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.521 -2.370 -3.519 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.467 -1.081 -4.310 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -7.951 -2.872 -3.462 1.00 0.00 C ATOM 0 H VAL A 66 -5.083 -4.363 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.027 -3.795 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.152 -2.145 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.128 -0.345 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.446 -0.699 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.788 -1.269 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.594 -2.093 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.287 -3.128 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.001 -3.756 -2.826 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.727 -3.158 -5.600 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.371 -2.778 -5.971 1.00 0.00 C ATOM 1043 C ARG A 67 -2.409 -1.482 -6.760 1.00 0.00 C ATOM 1044 O ARG A 67 -3.061 -1.397 -7.799 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.684 -3.891 -6.781 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.274 -3.537 -7.234 1.00 0.00 C ATOM 1047 CD ARG A 67 0.476 -4.762 -7.729 1.00 0.00 C ATOM 1048 NE ARG A 67 1.771 -4.418 -8.319 1.00 0.00 N ATOM 1049 CZ ARG A 67 2.737 -5.304 -8.579 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.580 -6.586 -8.274 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 3.869 -4.904 -9.146 1.00 0.00 N ATOM 0 H ARG A 67 -4.272 -3.568 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.787 -2.628 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.645 -4.797 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.291 -4.118 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.322 -2.793 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.272 -3.084 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.629 -5.452 -6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.131 -5.283 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 67 1.947 -3.439 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.715 -6.904 -7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.324 -7.253 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.001 -3.921 -9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.607 -5.580 -9.345 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.717 -0.477 -6.263 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.815 0.855 -6.825 1.00 0.00 C ATOM 1067 C PHE A 68 -0.478 1.575 -6.826 1.00 0.00 C ATOM 1068 O PHE A 68 0.482 1.149 -6.183 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.854 1.688 -6.053 1.00 0.00 C ATOM 1070 CG PHE A 68 -2.863 1.468 -4.564 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.689 1.482 -3.824 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.060 1.250 -3.905 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -1.716 1.282 -2.458 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.092 1.051 -2.540 1.00 0.00 C ATOM 1075 CZ PHE A 68 -2.919 1.064 -1.816 1.00 0.00 C ATOM 0 H PHE A 68 -1.080 -0.557 -5.470 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.133 0.743 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.669 2.744 -6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.845 1.460 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.745 1.651 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.982 1.235 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.796 1.296 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.035 0.885 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.941 0.904 -0.748 1.00 0.00 H new ATOM 1085 N THR A 69 -0.435 2.656 -7.583 1.00 0.00 N ATOM 1086 CA THR A 69 0.685 3.577 -7.581 1.00 0.00 C ATOM 1087 C THR A 69 0.197 4.906 -7.045 1.00 0.00 C ATOM 1088 O THR A 69 -0.816 5.433 -7.509 1.00 0.00 O ATOM 1089 CB THR A 69 1.259 3.753 -8.994 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.435 2.465 -9.597 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.591 4.478 -8.946 1.00 0.00 C ATOM 0 H THR A 69 -1.184 2.921 -8.222 1.00 0.00 H new ATOM 0 HA THR A 69 1.483 3.181 -6.953 1.00 0.00 H new ATOM 0 HB THR A 69 0.562 4.348 -9.584 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.800 2.574 -10.500 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.980 4.592 -9.958 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.454 5.462 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.298 3.902 -8.349 1.00 0.00 H new ATOM 1099 N LEU A 70 0.890 5.427 -6.055 1.00 0.00 N ATOM 1100 CA LEU A 70 0.397 6.572 -5.321 1.00 0.00 C ATOM 1101 C LEU A 70 1.298 7.780 -5.491 1.00 0.00 C ATOM 1102 O LEU A 70 2.521 7.684 -5.388 1.00 0.00 O ATOM 1103 CB LEU A 70 0.267 6.191 -3.855 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.620 4.969 -3.619 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.505 4.482 -2.185 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -2.066 5.295 -3.975 1.00 0.00 C ATOM 0 H LEU A 70 1.795 5.076 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.579 6.854 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.259 5.993 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.140 7.038 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.279 4.162 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.146 3.612 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.529 4.209 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.815 5.276 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.690 4.418 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.417 6.118 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.126 5.583 -5.024 1.00 0.00 H new ATOM 1118 N ASP A 71 0.672 8.907 -5.784 1.00 0.00 N ATOM 1119 CA ASP A 71 1.378 10.165 -5.952 1.00 0.00 C ATOM 1120 C ASP A 71 1.875 10.677 -4.611 1.00 0.00 C ATOM 1121 O ASP A 71 1.316 10.362 -3.566 1.00 0.00 O ATOM 1122 CB ASP A 71 0.457 11.204 -6.596 1.00 0.00 C ATOM 1123 CG ASP A 71 1.105 12.566 -6.709 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.952 12.755 -7.602 1.00 0.00 O ATOM 1125 OD2 ASP A 71 0.779 13.453 -5.894 1.00 0.00 O1- ATOM 0 H ASP A 71 -0.338 8.976 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 71 2.236 9.996 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.166 10.861 -7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.457 11.288 -6.008 1.00 0.00 H new ATOM 1130 N ARG A 72 2.921 11.487 -4.676 1.00 0.00 N ATOM 1131 CA ARG A 72 3.609 12.020 -3.504 1.00 0.00 C ATOM 1132 C ARG A 72 2.678 12.840 -2.607 1.00 0.00 C ATOM 1133 O ARG A 72 2.998 13.093 -1.446 1.00 0.00 O ATOM 1134 CB ARG A 72 4.783 12.889 -3.957 1.00 0.00 C ATOM 1135 CG ARG A 72 5.743 12.165 -4.890 1.00 0.00 C ATOM 1136 CD ARG A 72 6.815 13.096 -5.434 1.00 0.00 C ATOM 1137 NE ARG A 72 7.737 13.559 -4.401 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.945 14.057 -4.660 1.00 0.00 C ATOM 1139 NH1 ARG A 72 9.382 14.126 -5.912 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.715 14.476 -3.664 1.00 0.00 N ATOM 0 H ARG A 72 3.325 11.799 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 72 3.966 11.174 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.397 13.775 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.330 13.234 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.215 11.340 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.185 11.730 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.377 12.580 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.339 13.957 -5.903 1.00 0.00 H new ATOM 0 HE ARG A 72 7.440 13.498 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.792 13.797 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.307 14.508 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.382 14.416 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.640 14.858 -3.860 1.00 0.00 H new ATOM 1154 N GLN A 73 1.546 13.285 -3.151 1.00 0.00 N ATOM 1155 CA GLN A 73 0.565 14.019 -2.366 1.00 0.00 C ATOM 1156 C GLN A 73 -0.677 13.174 -2.102 1.00 0.00 C ATOM 1157 O GLN A 73 -1.721 13.691 -1.696 1.00 0.00 O ATOM 1158 CB GLN A 73 0.192 15.309 -3.089 1.00 0.00 C ATOM 1159 CG GLN A 73 1.383 16.223 -3.316 1.00 0.00 C ATOM 1160 CD GLN A 73 1.777 17.017 -2.076 1.00 0.00 C ATOM 1161 OE1 GLN A 73 2.308 18.124 -2.181 1.00 0.00 O ATOM 1162 NE2 GLN A 73 1.527 16.469 -0.895 1.00 0.00 N ATOM 0 H GLN A 73 1.290 13.149 -4.129 1.00 0.00 H new ATOM 0 HA GLN A 73 1.007 14.263 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.260 15.064 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.562 15.840 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.234 15.625 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.152 16.916 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.086 15.551 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.775 16.966 -0.039 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.553 11.876 -2.333 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.651 10.965 -2.089 1.00 0.00 C ATOM 1173 C GLY A 74 -2.699 11.013 -3.172 1.00 0.00 C ATOM 1174 O GLY A 74 -3.891 11.132 -2.889 1.00 0.00 O ATOM 0 H GLY A 74 0.295 11.435 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.264 9.949 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.112 11.207 -1.132 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.256 10.925 -4.410 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.157 10.950 -5.546 1.00 0.00 C ATOM 1180 C HIS A 75 -3.115 9.609 -6.272 1.00 0.00 C ATOM 1181 O HIS A 75 -2.038 9.122 -6.614 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.761 12.090 -6.488 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.754 12.369 -7.569 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.677 13.387 -7.493 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.955 11.768 -8.761 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.409 13.395 -8.591 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.990 12.422 -9.377 1.00 0.00 N ATOM 0 H HIS A 75 -1.270 10.835 -4.657 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.177 11.120 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.617 12.997 -5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.801 11.850 -6.946 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.403 10.928 -9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.214 14.081 -8.809 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.374 12.194 -10.294 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.283 9.006 -6.465 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.400 7.756 -7.209 1.00 0.00 C ATOM 1198 C VAL A 76 -3.780 7.876 -8.607 1.00 0.00 C ATOM 1199 O VAL A 76 -4.156 8.740 -9.399 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.880 7.315 -7.328 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.730 8.393 -7.988 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.993 6.002 -8.085 1.00 0.00 C ATOM 0 H VAL A 76 -5.170 9.366 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.850 6.998 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.262 7.163 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.763 8.051 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.688 9.305 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.348 8.595 -8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.041 5.712 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.581 6.123 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.438 5.228 -7.556 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.808 7.023 -8.893 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.157 7.027 -10.196 1.00 0.00 C ATOM 1214 C LEU A 77 -2.498 5.762 -10.968 1.00 0.00 C ATOM 1215 O LEU A 77 -2.856 5.809 -12.145 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.644 7.138 -10.040 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.161 8.351 -9.248 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.323 8.227 -8.961 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.456 9.644 -10.002 1.00 0.00 C ATOM 0 H LEU A 77 -2.453 6.321 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.521 7.891 -10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.278 6.235 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.193 7.169 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.700 8.384 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.658 9.097 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.507 7.324 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.872 8.172 -9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.103 10.494 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.054 9.628 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.530 9.735 -10.162 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.378 4.632 -10.294 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.671 3.340 -10.894 1.00 0.00 C ATOM 1233 C ALA A 78 -3.519 2.517 -9.952 1.00 0.00 C ATOM 1234 O ALA A 78 -3.417 2.682 -8.742 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.386 2.591 -11.216 1.00 0.00 C ATOM 0 H ALA A 78 -2.077 4.582 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.217 3.507 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.629 1.627 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.789 3.176 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.818 2.432 -10.299 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.346 1.642 -10.501 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.178 0.757 -9.704 1.00 0.00 C ATOM 1243 C VAL A 79 -5.357 -0.580 -10.409 1.00 0.00 C ATOM 1244 O VAL A 79 -5.919 -0.657 -11.504 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.569 1.364 -9.397 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.487 2.352 -8.243 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.156 2.040 -10.629 1.00 0.00 C ATOM 0 H VAL A 79 -4.459 1.526 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.661 0.614 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.230 0.547 -9.107 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.476 2.765 -8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.123 1.841 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.802 3.159 -8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.133 2.457 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.492 2.840 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.264 1.308 -11.429 1.00 0.00 H new ATOM 1257 N THR A 80 -4.864 -1.628 -9.783 1.00 0.00 N ATOM 1258 CA THR A 80 -4.977 -2.967 -10.325 1.00 0.00 C ATOM 1259 C THR A 80 -5.578 -3.898 -9.283 1.00 0.00 C ATOM 1260 O THR A 80 -5.107 -3.962 -8.144 1.00 0.00 O ATOM 1261 CB THR A 80 -3.599 -3.502 -10.771 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.997 -2.584 -11.694 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.725 -4.871 -11.427 1.00 0.00 C ATOM 0 H THR A 80 -4.376 -1.577 -8.889 1.00 0.00 H new ATOM 0 HA THR A 80 -5.629 -2.928 -11.198 1.00 0.00 H new ATOM 0 HB THR A 80 -2.972 -3.601 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.122 -2.927 -11.973 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.738 -5.221 -11.730 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.158 -5.576 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.369 -4.797 -12.303 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.633 -4.600 -9.660 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.290 -5.506 -8.742 1.00 0.00 C ATOM 1273 C LEU A 81 -6.492 -6.790 -8.601 1.00 0.00 C ATOM 1274 O LEU A 81 -6.363 -7.570 -9.547 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.710 -5.835 -9.193 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.508 -6.664 -8.186 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.911 -5.811 -6.991 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.730 -7.285 -8.842 1.00 0.00 C ATOM 0 H LEU A 81 -7.049 -4.559 -10.590 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.346 -5.004 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.244 -4.904 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.663 -6.377 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.870 -7.473 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.478 -6.418 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.017 -5.425 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.527 -4.978 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.281 -7.870 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.373 -6.497 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.414 -7.935 -9.658 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.943 -6.982 -7.421 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.214 -8.192 -7.089 1.00 0.00 C ATOM 1292 C VAL A 82 -6.158 -9.142 -6.367 1.00 0.00 C ATOM 1293 O VAL A 82 -6.193 -10.340 -6.647 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.992 -7.870 -6.201 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.708 -8.362 -6.846 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.904 -6.376 -5.941 1.00 0.00 C ATOM 0 H VAL A 82 -5.988 -6.303 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.845 -8.657 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.121 -8.388 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.862 -8.123 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.763 -9.441 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.576 -7.875 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.038 -6.166 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.803 -5.847 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.809 -6.041 -5.434 1.00 0.00 H new ATOM 1306 N SER A 83 -6.926 -8.569 -5.439 1.00 0.00 N ATOM 1307 CA SER A 83 -8.052 -9.243 -4.796 1.00 0.00 C ATOM 1308 C SER A 83 -7.615 -10.427 -3.924 1.00 0.00 C ATOM 1309 O SER A 83 -6.439 -10.798 -3.883 1.00 0.00 O ATOM 1310 CB SER A 83 -9.058 -9.675 -5.862 1.00 0.00 C ATOM 1311 OG SER A 83 -10.255 -10.165 -5.279 1.00 0.00 O ATOM 0 H SER A 83 -6.781 -7.614 -5.110 1.00 0.00 H new ATOM 0 HA SER A 83 -8.526 -8.535 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.288 -8.830 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.615 -10.448 -6.490 1.00 0.00 H new ATOM 0 HG SER A 83 -10.878 -10.431 -5.987 1.00 0.00 H new ATOM 1317 N SER A 84 -8.577 -10.992 -3.200 1.00 0.00 N ATOM 1318 CA SER A 84 -8.301 -12.051 -2.239 1.00 0.00 C ATOM 1319 C SER A 84 -9.460 -13.043 -2.161 1.00 0.00 C ATOM 1320 O SER A 84 -9.323 -14.199 -2.556 1.00 0.00 O ATOM 1321 CB SER A 84 -8.047 -11.449 -0.855 1.00 0.00 C ATOM 1322 OG SER A 84 -7.005 -10.492 -0.896 1.00 0.00 O ATOM 0 H SER A 84 -9.561 -10.730 -3.263 1.00 0.00 H new ATOM 0 HA SER A 84 -7.413 -12.586 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.960 -10.981 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.789 -12.242 -0.153 1.00 0.00 H new ATOM 0 HG SER A 84 -6.324 -10.721 -0.229 1.00 0.00 H new ATOM 1328 N ALA A 85 -10.605 -12.593 -1.657 1.00 0.00 N ATOM 1329 CA ALA A 85 -11.726 -13.495 -1.431 1.00 0.00 C ATOM 1330 C ALA A 85 -12.727 -13.478 -2.587 1.00 0.00 C ATOM 1331 O ALA A 85 -12.627 -14.285 -3.512 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.415 -13.175 -0.109 1.00 0.00 C ATOM 0 H ALA A 85 -10.779 -11.621 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.321 -14.506 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.250 -13.860 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.703 -13.286 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.786 -12.150 -0.131 1.00 0.00 H new ATOM 1338 N GLY A 86 -13.670 -12.544 -2.551 1.00 0.00 N ATOM 1339 CA GLY A 86 -14.731 -12.529 -3.535 1.00 0.00 C ATOM 1340 C GLY A 86 -15.697 -11.393 -3.307 1.00 0.00 C ATOM 1341 O GLY A 86 -16.603 -11.497 -2.483 1.00 0.00 O ATOM 0 H GLY A 86 -13.717 -11.798 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.299 -12.443 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.270 -13.476 -3.501 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.500 -10.296 -4.020 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.364 -9.133 -3.864 1.00 0.00 C ATOM 1347 C LEU A 87 -17.043 -8.807 -5.194 1.00 0.00 C ATOM 1348 O LEU A 87 -16.556 -7.970 -5.948 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.577 -7.894 -3.387 1.00 0.00 C ATOM 1350 CG LEU A 87 -14.588 -8.074 -2.219 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.206 -8.881 -1.093 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.280 -8.700 -2.687 1.00 0.00 C ATOM 0 H LEU A 87 -14.755 -10.185 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.109 -9.380 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.021 -7.503 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.299 -7.130 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.359 -7.081 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.483 -8.990 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.092 -8.367 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.487 -9.867 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.606 -8.812 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.481 -9.679 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.816 -8.057 -3.436 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.173 -9.467 -5.511 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.902 -9.227 -6.759 1.00 0.00 C ATOM 1366 C PRO A 88 -19.685 -7.916 -6.720 1.00 0.00 C ATOM 1367 O PRO A 88 -19.259 -6.910 -7.283 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.857 -10.429 -6.867 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.483 -11.352 -5.750 1.00 0.00 C ATOM 1370 CD PRO A 88 -18.821 -10.503 -4.705 1.00 0.00 C ATOM 0 HA PRO A 88 -18.230 -9.135 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.896 -10.111 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.755 -10.923 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.364 -11.850 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -18.809 -12.133 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.543 -10.082 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.100 -11.071 -4.116 1.00 0.00 H new ATOM 1378 N SER A 89 -20.817 -7.924 -6.027 1.00 0.00 N ATOM 1379 CA SER A 89 -21.618 -6.720 -5.852 1.00 0.00 C ATOM 1380 C SER A 89 -20.901 -5.742 -4.925 1.00 0.00 C ATOM 1381 O SER A 89 -21.208 -4.553 -4.884 1.00 0.00 O ATOM 1382 CB SER A 89 -22.984 -7.083 -5.271 1.00 0.00 C ATOM 1383 OG SER A 89 -23.603 -8.111 -6.025 1.00 0.00 O ATOM 0 H SER A 89 -21.202 -8.754 -5.576 1.00 0.00 H new ATOM 0 HA SER A 89 -21.759 -6.246 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.868 -7.406 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.624 -6.201 -5.260 1.00 0.00 H new ATOM 0 HG SER A 89 -24.474 -8.326 -5.632 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.947 -6.271 -4.177 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.232 -5.504 -3.169 1.00 0.00 C ATOM 1391 C LEU A 90 -18.210 -4.568 -3.804 1.00 0.00 C ATOM 1392 O LEU A 90 -18.031 -3.439 -3.345 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.533 -6.461 -2.200 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.430 -7.554 -1.625 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.580 -8.660 -1.028 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.369 -6.967 -0.583 1.00 0.00 C ATOM 0 H LEU A 90 -19.646 -7.243 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 90 -19.954 -4.892 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.696 -6.931 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.116 -5.882 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.035 -7.980 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.227 -9.436 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.944 -9.088 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -17.957 -8.251 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.004 -7.756 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.786 -6.523 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -20.992 -6.201 -1.045 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.578 -5.037 -4.878 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.461 -4.327 -5.517 1.00 0.00 C ATOM 1410 C ASP A 91 -16.835 -2.900 -5.886 1.00 0.00 C ATOM 1411 O ASP A 91 -16.118 -1.959 -5.553 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.017 -5.077 -6.779 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.825 -4.435 -7.473 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.026 -3.505 -8.284 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.678 -4.875 -7.233 1.00 0.00 O1- ATOM 0 H ASP A 91 -17.821 -5.917 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.643 -4.289 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.764 -6.103 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.852 -5.125 -7.477 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.987 -2.742 -6.520 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.375 -1.462 -7.108 1.00 0.00 C ATOM 1422 C ARG A 92 -18.289 -0.303 -6.114 1.00 0.00 C ATOM 1423 O ARG A 92 -17.673 0.713 -6.413 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.788 -1.544 -7.692 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.795 -2.205 -6.765 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.205 -2.163 -7.330 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.265 -2.662 -8.705 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.235 -3.447 -9.171 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.201 -3.865 -8.362 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.236 -3.810 -10.449 1.00 0.00 N ATOM 0 H ARG A 92 -18.674 -3.486 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.661 -1.258 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.132 -0.537 -7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.752 -2.098 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.504 -3.241 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.778 -1.705 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.865 -2.759 -6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.576 -1.138 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.518 -2.392 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.202 -3.585 -7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.943 -4.466 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.495 -3.488 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.978 -4.411 -10.808 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.903 -0.439 -4.947 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.930 0.663 -3.993 1.00 0.00 C ATOM 1446 C GLU A 93 -17.607 0.806 -3.236 1.00 0.00 C ATOM 1447 O GLU A 93 -17.062 1.904 -3.138 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.097 0.519 -3.021 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.326 1.765 -2.180 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.703 1.812 -1.554 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.697 1.685 -2.300 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -21.799 1.980 -0.322 1.00 0.00 O ATOM 0 H GLU A 93 -19.382 -1.286 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.072 1.577 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.004 0.294 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.911 -0.329 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.573 1.808 -1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.186 2.648 -2.804 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.084 -0.301 -2.708 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.863 -0.254 -1.910 1.00 0.00 C ATOM 1461 C ILE A 94 -14.679 0.236 -2.740 1.00 0.00 C ATOM 1462 O ILE A 94 -13.821 0.960 -2.239 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.520 -1.622 -1.270 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.224 -2.682 -2.337 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.654 -2.077 -0.361 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.797 -4.016 -1.762 1.00 0.00 C ATOM 0 H ILE A 94 -17.484 -1.233 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.054 0.454 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.617 -1.497 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.114 -2.828 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.439 -2.312 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.401 -3.040 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.804 -1.341 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.570 -2.176 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.604 -4.717 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.889 -3.885 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.590 -4.408 -1.125 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.636 -0.138 -4.012 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.578 0.316 -4.882 1.00 0.00 C ATOM 1480 C GLN A 95 -13.885 1.706 -5.417 1.00 0.00 C ATOM 1481 O GLN A 95 -12.992 2.464 -5.734 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.378 -0.639 -6.037 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.143 -2.086 -5.628 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.838 -2.308 -4.896 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.864 -1.587 -5.097 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.807 -3.333 -4.063 1.00 0.00 N ATOM 0 H GLN A 95 -15.320 -0.751 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.660 0.353 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.255 -0.596 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.528 -0.300 -6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.966 -2.413 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.161 -2.713 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.640 -3.905 -3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.950 -3.552 -3.556 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.147 2.049 -5.539 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.488 3.428 -5.848 1.00 0.00 C ATOM 1497 C ALA A 96 -14.858 4.317 -4.790 1.00 0.00 C ATOM 1498 O ALA A 96 -14.177 5.292 -5.094 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.995 3.635 -5.890 1.00 0.00 C ATOM 0 H ALA A 96 -15.939 1.415 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.106 3.683 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.213 4.677 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.429 2.993 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.424 3.383 -4.920 1.00 0.00 H new ATOM 1505 N LEU A 97 -15.033 3.904 -3.549 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.516 4.592 -2.415 1.00 0.00 C ATOM 1507 C LEU A 97 -12.981 4.547 -2.368 1.00 0.00 C ATOM 1508 O LEU A 97 -12.326 5.584 -2.338 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.101 3.906 -1.193 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.738 4.553 0.104 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.839 5.496 0.563 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.415 3.508 1.152 1.00 0.00 C ATOM 0 H LEU A 97 -15.553 3.059 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.790 5.646 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.187 3.887 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.765 2.869 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.840 5.152 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.553 5.956 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.989 6.272 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.765 4.937 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.153 4.001 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.284 2.869 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.575 2.901 0.814 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.417 3.343 -2.395 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.969 3.162 -2.242 1.00 0.00 C ATOM 1526 C VAL A 98 -10.219 3.249 -3.574 1.00 0.00 C ATOM 1527 O VAL A 98 -9.229 3.968 -3.688 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.647 1.806 -1.578 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.146 1.550 -1.557 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.222 1.748 -0.171 1.00 0.00 C ATOM 0 H VAL A 98 -12.937 2.475 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.631 3.979 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.113 1.020 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.948 0.588 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.765 1.538 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.650 2.341 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.984 0.784 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.790 2.547 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.304 1.871 -0.215 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.699 2.522 -4.574 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.024 2.442 -5.870 1.00 0.00 C ATOM 1542 C LYS A 99 -10.055 3.804 -6.583 1.00 0.00 C ATOM 1543 O LYS A 99 -9.264 4.049 -7.494 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.663 1.331 -6.738 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.891 0.982 -8.004 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.656 -0.015 -8.869 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.809 -1.358 -8.172 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.762 -2.255 -8.881 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.558 1.975 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.978 2.182 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.765 0.431 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.669 1.643 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.699 1.890 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.921 0.563 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.641 0.388 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.133 -0.153 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.836 -1.844 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.155 -1.198 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.834 -3.158 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.698 -1.804 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.420 -2.430 -9.847 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.974 4.691 -6.181 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.923 6.074 -6.649 1.00 0.00 C ATOM 1564 C ARG A 100 -10.105 6.940 -5.688 1.00 0.00 C ATOM 1565 O ARG A 100 -9.208 7.668 -6.113 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.333 6.651 -6.832 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.369 8.156 -7.076 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.481 8.569 -8.242 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.876 7.928 -9.494 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.019 7.602 -10.459 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.721 7.819 -10.293 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.461 7.045 -11.581 1.00 0.00 N ATOM 0 H ARG A 100 -11.744 4.479 -5.547 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.431 6.080 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.813 6.147 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.924 6.425 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.395 8.466 -7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -12.048 8.677 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.523 9.652 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.446 8.313 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.864 7.718 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.380 8.235 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.064 7.569 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.458 6.867 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.804 6.796 -12.320 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.403 6.865 -4.397 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.673 7.656 -3.413 1.00 0.00 C ATOM 1588 C ALA A 101 -8.477 6.880 -2.879 1.00 0.00 C ATOM 1589 O ALA A 101 -8.437 6.528 -1.702 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.583 8.086 -2.270 1.00 0.00 C ATOM 0 H ALA A 101 -11.137 6.272 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.308 8.554 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.012 8.674 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.401 8.689 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.988 7.203 -1.776 1.00 0.00 H new ATOM 1596 N SER A 102 -7.519 6.595 -3.755 1.00 0.00 N ATOM 1597 CA SER A 102 -6.290 5.922 -3.355 1.00 0.00 C ATOM 1598 C SER A 102 -5.236 6.950 -2.947 1.00 0.00 C ATOM 1599 O SER A 102 -4.585 7.562 -3.795 1.00 0.00 O ATOM 1600 CB SER A 102 -5.773 5.044 -4.495 1.00 0.00 C ATOM 1601 OG SER A 102 -6.779 4.148 -4.938 1.00 0.00 O ATOM 0 H SER A 102 -7.571 6.820 -4.748 1.00 0.00 H new ATOM 0 HA SER A 102 -6.500 5.283 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.448 5.672 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.901 4.482 -4.160 1.00 0.00 H new ATOM 0 HG SER A 102 -7.551 4.199 -4.336 1.00 0.00 H new ATOM 1607 N PRO A 103 -5.079 7.166 -1.635 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.216 8.189 -1.087 1.00 0.00 C ATOM 1609 C PRO A 103 -2.884 7.664 -0.553 1.00 0.00 C ATOM 1610 O PRO A 103 -2.637 6.459 -0.501 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.074 8.711 0.060 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.916 7.540 0.496 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.764 6.461 -0.553 1.00 0.00 C ATOM 0 HA PRO A 103 -3.918 8.923 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.455 9.076 0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.698 9.544 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.592 7.176 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.961 7.834 0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.181 5.617 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.729 6.067 -0.872 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.041 8.599 -0.149 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.717 8.305 0.372 1.00 0.00 C ATOM 1623 C LEU A 104 -0.389 9.312 1.477 1.00 0.00 C ATOM 1624 O LEU A 104 -0.084 10.468 1.185 1.00 0.00 O ATOM 1625 CB LEU A 104 0.302 8.411 -0.770 1.00 0.00 C ATOM 1626 CG LEU A 104 1.736 7.984 -0.455 1.00 0.00 C ATOM 1627 CD1 LEU A 104 1.826 6.480 -0.235 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.656 8.411 -1.585 1.00 0.00 C ATOM 0 H LEU A 104 -2.259 9.595 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.681 7.297 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.057 7.807 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.323 9.446 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 104 2.048 8.473 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.857 6.206 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.187 6.196 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.498 5.960 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.677 8.105 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.334 7.940 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.618 9.495 -1.696 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.499 8.909 2.759 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.245 9.811 3.883 1.00 0.00 C ATOM 1642 C PRO A 105 1.219 10.210 4.002 1.00 0.00 C ATOM 1643 O PRO A 105 1.611 11.315 3.627 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.655 9.023 5.128 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.199 7.716 4.662 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.878 7.559 3.200 1.00 0.00 C ATOM 0 HA PRO A 105 -0.800 10.739 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.200 8.871 5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.404 9.570 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.763 6.898 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.277 7.677 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.066 6.849 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.737 7.186 2.643 1.00 0.00 H new ATOM 1654 N THR A 106 2.014 9.304 4.538 1.00 0.00 N ATOM 1655 CA THR A 106 3.431 9.551 4.728 1.00 0.00 C ATOM 1656 C THR A 106 4.195 9.330 3.429 1.00 0.00 C ATOM 1657 O THR A 106 4.172 8.233 2.872 1.00 0.00 O ATOM 1658 CB THR A 106 3.995 8.645 5.836 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.456 7.323 5.703 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.654 9.199 7.211 1.00 0.00 C ATOM 0 H THR A 106 1.701 8.385 4.851 1.00 0.00 H new ATOM 0 HA THR A 106 3.556 10.591 5.031 1.00 0.00 H new ATOM 0 HB THR A 106 5.080 8.610 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.819 6.749 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.063 8.543 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.084 10.195 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.571 9.257 7.322 1.00 0.00 H new ATOM 1668 N PRO A 107 4.857 10.385 2.922 1.00 0.00 N ATOM 1669 CA PRO A 107 5.581 10.342 1.647 1.00 0.00 C ATOM 1670 C PRO A 107 6.739 9.346 1.657 1.00 0.00 C ATOM 1671 O PRO A 107 7.767 9.571 2.302 1.00 0.00 O ATOM 1672 CB PRO A 107 6.110 11.773 1.474 1.00 0.00 C ATOM 1673 CG PRO A 107 5.290 12.604 2.400 1.00 0.00 C ATOM 1674 CD PRO A 107 4.949 11.709 3.553 1.00 0.00 C ATOM 0 HA PRO A 107 4.933 10.013 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.170 11.834 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.004 12.111 0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.845 13.480 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.389 12.967 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.717 11.736 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.010 11.998 4.025 1.00 0.00 H new ATOM 1682 N PRO A 108 6.584 8.230 0.931 1.00 0.00 N ATOM 1683 CA PRO A 108 7.613 7.204 0.816 1.00 0.00 C ATOM 1684 C PRO A 108 8.643 7.557 -0.249 1.00 0.00 C ATOM 1685 O PRO A 108 8.789 6.852 -1.248 1.00 0.00 O ATOM 1686 CB PRO A 108 6.808 5.973 0.408 1.00 0.00 C ATOM 1687 CG PRO A 108 5.700 6.523 -0.418 1.00 0.00 C ATOM 1688 CD PRO A 108 5.378 7.875 0.163 1.00 0.00 C ATOM 0 HA PRO A 108 8.188 7.071 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.416 5.269 -0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.429 5.438 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.998 6.609 -1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.829 5.868 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.173 8.607 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.496 7.835 0.802 1.00 0.00 H new ATOM 1696 N ALA A 109 9.340 8.666 -0.033 1.00 0.00 N ATOM 1697 CA ALA A 109 10.395 9.106 -0.936 1.00 0.00 C ATOM 1698 C ALA A 109 11.395 7.983 -1.180 1.00 0.00 C ATOM 1699 O ALA A 109 11.759 7.692 -2.319 1.00 0.00 O ATOM 1700 CB ALA A 109 11.094 10.333 -0.368 1.00 0.00 C ATOM 0 H ALA A 109 9.191 9.281 0.767 1.00 0.00 H new ATOM 0 HA ALA A 109 9.946 9.374 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.881 10.653 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.371 11.139 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.532 10.087 0.599 1.00 0.00 H new ATOM 1706 N ASP A 110 11.774 7.315 -0.099 1.00 0.00 N ATOM 1707 CA ASP A 110 12.775 6.257 -0.148 1.00 0.00 C ATOM 1708 C ASP A 110 12.219 5.003 -0.825 1.00 0.00 C ATOM 1709 O ASP A 110 12.954 4.071 -1.150 1.00 0.00 O ATOM 1710 CB ASP A 110 13.241 5.931 1.274 1.00 0.00 C ATOM 1711 CG ASP A 110 14.380 4.935 1.311 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.538 5.345 1.096 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 14.126 3.740 1.569 1.00 0.00 O ATOM 0 H ASP A 110 11.398 7.490 0.833 1.00 0.00 H new ATOM 0 HA ASP A 110 13.623 6.605 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.554 6.851 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.401 5.534 1.844 1.00 0.00 H new ATOM 1718 N ALA A 111 10.916 4.999 -1.057 1.00 0.00 N ATOM 1719 CA ALA A 111 10.247 3.842 -1.623 1.00 0.00 C ATOM 1720 C ALA A 111 10.012 4.000 -3.124 1.00 0.00 C ATOM 1721 O ALA A 111 9.878 3.009 -3.842 1.00 0.00 O ATOM 1722 CB ALA A 111 8.930 3.604 -0.904 1.00 0.00 C ATOM 0 H ALA A 111 10.300 5.788 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 111 10.897 2.978 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.433 2.734 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.120 3.427 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.291 4.480 -1.016 1.00 0.00 H new ATOM 1728 N TYR A 112 9.963 5.237 -3.611 1.00 0.00 N ATOM 1729 CA TYR A 112 9.705 5.453 -5.029 1.00 0.00 C ATOM 1730 C TYR A 112 10.849 6.122 -5.749 1.00 0.00 C ATOM 1731 O TYR A 112 10.682 6.661 -6.841 1.00 0.00 O ATOM 1732 CB TYR A 112 8.388 6.156 -5.316 1.00 0.00 C ATOM 1733 CG TYR A 112 8.035 7.364 -4.494 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.907 8.425 -4.315 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.781 7.437 -3.918 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.532 9.528 -3.576 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.392 8.524 -3.186 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.272 9.573 -3.010 1.00 0.00 C ATOM 1739 OH TYR A 112 6.890 10.669 -2.272 1.00 0.00 O ATOM 0 H TYR A 112 10.095 6.085 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 112 9.613 4.446 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.392 6.456 -6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.588 5.426 -5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.891 8.389 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.092 6.616 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.218 10.351 -3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.405 8.562 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 112 5.975 10.541 -1.946 1.00 0.00 H new ATOM 1749 N VAL A 113 12.005 6.090 -5.137 1.00 0.00 N ATOM 1750 CA VAL A 113 13.215 6.475 -5.847 1.00 0.00 C ATOM 1751 C VAL A 113 13.536 5.376 -6.855 1.00 0.00 C ATOM 1752 O VAL A 113 14.288 4.443 -6.579 1.00 0.00 O ATOM 1753 CB VAL A 113 14.417 6.710 -4.899 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.313 8.074 -4.240 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.510 5.624 -3.834 1.00 0.00 C ATOM 0 H VAL A 113 12.142 5.808 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 113 13.038 7.426 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 113 15.324 6.671 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.165 8.224 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.309 8.849 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.390 8.130 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.365 5.821 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.597 5.620 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.635 4.653 -4.314 1.00 0.00 H new ATOM 1765 N ASN A 114 12.950 5.540 -8.040 1.00 0.00 N ATOM 1766 CA ASN A 114 12.903 4.513 -9.088 1.00 0.00 C ATOM 1767 C ASN A 114 11.722 4.825 -10.001 1.00 0.00 C ATOM 1768 O ASN A 114 11.602 4.297 -11.108 1.00 0.00 O ATOM 1769 CB ASN A 114 12.726 3.095 -8.507 1.00 0.00 C ATOM 1770 CG ASN A 114 11.287 2.766 -8.125 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.533 2.211 -8.924 1.00 0.00 O ATOM 1772 ND2 ASN A 114 10.895 3.102 -6.905 1.00 0.00 N ATOM 0 H ASN A 114 12.484 6.407 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 114 13.848 4.530 -9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.074 2.366 -9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.360 2.991 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.942 2.902 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.546 3.561 -6.268 1.00 0.00 H new ATOM 1779 N GLY A 115 10.837 5.680 -9.498 1.00 0.00 N ATOM 1780 CA GLY A 115 9.671 6.089 -10.242 1.00 0.00 C ATOM 1781 C GLY A 115 8.557 6.542 -9.320 1.00 0.00 C ATOM 1782 O GLY A 115 8.428 7.727 -9.017 1.00 0.00 O ATOM 0 H GLY A 115 10.914 6.100 -8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.936 6.900 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.321 5.260 -10.858 1.00 0.00 H new ATOM 1786 N THR A 116 7.776 5.588 -8.846 1.00 0.00 N ATOM 1787 CA THR A 116 6.639 5.855 -7.989 1.00 0.00 C ATOM 1788 C THR A 116 6.377 4.603 -7.152 1.00 0.00 C ATOM 1789 O THR A 116 7.064 3.595 -7.337 1.00 0.00 O ATOM 1790 CB THR A 116 5.384 6.232 -8.805 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.753 6.666 -10.124 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.630 7.351 -8.113 1.00 0.00 C ATOM 0 H THR A 116 7.916 4.598 -9.048 1.00 0.00 H new ATOM 0 HA THR A 116 6.863 6.707 -7.347 1.00 0.00 H new ATOM 0 HB THR A 116 4.749 5.349 -8.879 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.946 6.900 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.746 7.610 -8.697 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.325 7.024 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.276 8.225 -8.025 1.00 0.00 H new ATOM 1800 N VAL A 117 5.415 4.639 -6.234 1.00 0.00 N ATOM 1801 CA VAL A 117 5.199 3.495 -5.362 1.00 0.00 C ATOM 1802 C VAL A 117 4.037 2.671 -5.862 1.00 0.00 C ATOM 1803 O VAL A 117 2.876 3.067 -5.783 1.00 0.00 O ATOM 1804 CB VAL A 117 4.919 3.892 -3.886 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.191 4.300 -3.171 1.00 0.00 C ATOM 1806 CG2 VAL A 117 3.882 5.005 -3.788 1.00 0.00 C ATOM 0 H VAL A 117 4.788 5.428 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 117 6.126 2.921 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 117 4.515 3.007 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.959 4.571 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.895 3.468 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.636 5.155 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.714 5.254 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.243 5.887 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.946 4.671 -4.236 1.00 0.00 H new ATOM 1816 N GLU A 118 4.383 1.524 -6.403 1.00 0.00 N ATOM 1817 CA GLU A 118 3.412 0.559 -6.847 1.00 0.00 C ATOM 1818 C GLU A 118 3.434 -0.607 -5.881 1.00 0.00 C ATOM 1819 O GLU A 118 4.408 -1.357 -5.826 1.00 0.00 O ATOM 1820 CB GLU A 118 3.759 0.088 -8.257 1.00 0.00 C ATOM 1821 CG GLU A 118 2.711 -0.810 -8.877 1.00 0.00 C ATOM 1822 CD GLU A 118 3.206 -1.480 -10.143 1.00 0.00 C ATOM 1823 OE1 GLU A 118 4.045 -2.399 -10.049 1.00 0.00 O1- ATOM 1824 OE2 GLU A 118 2.754 -1.094 -11.239 1.00 0.00 O ATOM 0 H GLU A 118 5.351 1.237 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 118 2.416 1.002 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.901 0.959 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.709 -0.445 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.416 -1.573 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.820 -0.224 -9.103 1.00 0.00 H new ATOM 1831 N LEU A 119 2.371 -0.760 -5.122 1.00 0.00 N ATOM 1832 CA LEU A 119 2.360 -1.747 -4.065 1.00 0.00 C ATOM 1833 C LEU A 119 0.971 -2.326 -3.864 1.00 0.00 C ATOM 1834 O LEU A 119 -0.034 -1.695 -4.193 1.00 0.00 O ATOM 1835 CB LEU A 119 2.873 -1.125 -2.764 1.00 0.00 C ATOM 1836 CG LEU A 119 2.062 0.053 -2.216 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.560 -0.275 -0.830 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.907 1.317 -2.189 1.00 0.00 C ATOM 0 H LEU A 119 1.511 -0.219 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 119 3.021 -2.564 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.906 -1.903 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.898 -0.791 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 119 1.209 0.229 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.984 0.565 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.926 -1.161 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.408 -0.467 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.314 2.143 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.777 1.160 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.237 1.556 -3.200 1.00 0.00 H new ATOM 1850 N THR A 120 0.930 -3.536 -3.331 1.00 0.00 N ATOM 1851 CA THR A 120 -0.320 -4.215 -3.068 1.00 0.00 C ATOM 1852 C THR A 120 -0.719 -4.053 -1.606 1.00 0.00 C ATOM 1853 O THR A 120 0.011 -4.473 -0.705 1.00 0.00 O ATOM 1854 CB THR A 120 -0.213 -5.715 -3.389 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.167 -5.900 -4.757 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.532 -6.415 -3.116 1.00 0.00 C ATOM 0 H THR A 120 1.759 -4.070 -3.071 1.00 0.00 H new ATOM 0 HA THR A 120 -1.077 -3.764 -3.709 1.00 0.00 H new ATOM 0 HB THR A 120 0.551 -6.152 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.234 -6.858 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.436 -7.475 -3.349 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.796 -6.297 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.312 -5.976 -3.738 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.862 -3.431 -1.377 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.402 -3.306 -0.035 1.00 0.00 C ATOM 1866 C LEU A 121 -3.803 -3.874 0.025 1.00 0.00 C ATOM 1867 O LEU A 121 -4.654 -3.538 -0.797 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.407 -1.847 0.419 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.038 -1.303 0.803 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.149 0.127 1.307 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.399 -2.206 1.845 1.00 0.00 C ATOM 0 H LEU A 121 -2.435 -3.004 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.761 -3.873 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.818 -1.232 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.077 -1.747 1.273 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.400 -1.290 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.159 0.496 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.571 0.757 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.797 0.155 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.580 -1.812 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.033 -2.244 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.286 -3.210 1.436 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.057 -4.776 0.973 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.385 -5.316 1.181 1.00 0.00 C ATOM 1885 C PRO A 122 -6.298 -4.275 1.810 1.00 0.00 C ATOM 1886 O PRO A 122 -6.033 -3.782 2.909 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.169 -6.497 2.143 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.689 -6.674 2.243 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.081 -5.342 1.910 1.00 0.00 C ATOM 0 HA PRO A 122 -5.861 -5.618 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.605 -6.290 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.647 -7.401 1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.402 -6.992 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.342 -7.443 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -2.959 -4.718 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.096 -5.447 1.456 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.362 -3.937 1.108 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.360 -3.042 1.646 1.00 0.00 C ATOM 1899 C ILE A 123 -9.409 -3.887 2.362 1.00 0.00 C ATOM 1900 O ILE A 123 -10.222 -4.576 1.737 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.003 -2.143 0.546 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.786 -2.963 -0.474 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -7.925 -1.340 -0.178 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.651 -2.122 -1.384 1.00 0.00 C ATOM 0 H ILE A 123 -7.555 -4.270 0.164 1.00 0.00 H new ATOM 0 HA ILE A 123 -7.888 -2.354 2.347 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.697 -1.468 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.087 -3.539 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.416 -3.680 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.388 -0.717 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.401 -0.707 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.216 -2.023 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.179 -2.769 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.374 -1.566 -0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.024 -1.423 -1.938 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.351 -3.907 3.679 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.193 -4.824 4.412 1.00 0.00 C ATOM 1918 C ASP A 124 -11.407 -4.125 5.003 1.00 0.00 C ATOM 1919 O ASP A 124 -11.300 -3.126 5.717 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.389 -5.546 5.509 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.073 -4.679 6.719 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.158 -3.831 6.640 1.00 0.00 O ATOM 1923 OD2 ASP A 124 -9.724 -4.862 7.767 1.00 0.00 O1- ATOM 0 H ASP A 124 -8.746 -3.315 4.249 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.558 -5.569 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.949 -6.421 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.454 -5.908 5.081 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.561 -4.643 4.636 1.00 0.00 N ATOM 1929 CA PHE A 125 -13.813 -4.329 5.284 1.00 0.00 C ATOM 1930 C PHE A 125 -14.303 -5.601 5.949 1.00 0.00 C ATOM 1931 O PHE A 125 -13.996 -6.696 5.472 1.00 0.00 O ATOM 1932 CB PHE A 125 -14.834 -3.819 4.260 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.415 -2.560 3.555 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -14.705 -1.318 4.094 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -13.729 -2.621 2.354 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -14.321 -0.159 3.447 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -13.340 -1.466 1.701 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.636 -0.233 2.250 1.00 0.00 C ATOM 0 H PHE A 125 -12.654 -5.305 3.866 1.00 0.00 H new ATOM 0 HA PHE A 125 -13.680 -3.540 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.009 -4.598 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.783 -3.641 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -15.238 -1.254 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.495 -3.583 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -14.556 0.803 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.806 -1.527 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.332 0.671 1.744 1.00 0.00 H new ATOM 1948 N SER A 126 -15.039 -5.479 7.037 1.00 0.00 N ATOM 1949 CA SER A 126 -15.509 -6.651 7.762 1.00 0.00 C ATOM 1950 C SER A 126 -16.448 -7.484 6.889 1.00 0.00 C ATOM 1951 O SER A 126 -17.620 -7.154 6.744 1.00 0.00 O ATOM 1952 CB SER A 126 -16.221 -6.195 9.030 1.00 0.00 C ATOM 1953 OG SER A 126 -15.437 -5.230 9.715 1.00 0.00 O ATOM 0 H SER A 126 -15.325 -4.586 7.439 1.00 0.00 H new ATOM 0 HA SER A 126 -14.658 -7.278 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.193 -5.771 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.406 -7.051 9.679 1.00 0.00 H new ATOM 0 HG SER A 126 -15.906 -4.944 10.527 1.00 0.00 H new ATOM 1959 N LEU A 127 -15.929 -8.580 6.334 1.00 0.00 N ATOM 1960 CA LEU A 127 -16.685 -9.398 5.387 1.00 0.00 C ATOM 1961 C LEU A 127 -17.471 -10.474 6.125 1.00 0.00 C ATOM 1962 O LEU A 127 -16.909 -11.479 6.565 1.00 0.00 O ATOM 1963 CB LEU A 127 -15.739 -10.044 4.357 1.00 0.00 C ATOM 1964 CG LEU A 127 -16.296 -10.181 2.925 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -15.225 -10.680 1.970 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -17.489 -11.117 2.868 1.00 0.00 C ATOM 0 H LEU A 127 -14.987 -8.921 6.525 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.386 -8.752 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -14.822 -9.456 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.465 -11.036 4.716 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.621 -9.186 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -15.644 -10.768 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.393 -9.975 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.868 -11.655 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -17.850 -11.185 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -17.192 -12.107 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -18.284 -10.733 3.507 1.00 0.00 H new ATOM 1978 N ARG A 128 -18.765 -10.241 6.271 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.658 -11.183 6.918 1.00 0.00 C ATOM 1980 C ARG A 128 -20.406 -12.018 5.883 1.00 0.00 C ATOM 1981 O ARG A 128 -20.309 -13.246 5.874 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.647 -10.417 7.791 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.034 -9.875 9.070 1.00 0.00 C ATOM 1984 CD ARG A 128 -20.900 -8.792 9.691 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.282 -9.221 9.906 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.124 -8.610 10.742 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -22.687 -7.641 11.538 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.396 -8.986 10.799 1.00 0.00 N ATOM 0 H ARG A 128 -19.225 -9.392 5.943 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.071 -11.861 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.060 -9.588 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.478 -11.074 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.901 -10.688 9.783 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.044 -9.472 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.466 -8.489 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.894 -7.914 9.045 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.621 -10.032 9.388 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.706 -7.362 11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.332 -7.175 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.731 -9.743 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.038 -8.518 11.439 1.00 0.00 H new ATOM 2002 N GLY A 129 -21.141 -11.343 5.006 1.00 0.00 N ATOM 2003 CA GLY A 129 -21.897 -12.033 3.983 1.00 0.00 C ATOM 2004 C GLY A 129 -21.676 -11.429 2.615 1.00 0.00 C ATOM 2005 O GLY A 129 -20.649 -10.784 2.386 1.00 0.00 O ATOM 0 H GLY A 129 -21.225 -10.327 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -21.610 -13.084 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -22.958 -11.996 4.229 1.00 0.00 H new ATOM 2009 N ALA A 130 -22.642 -11.642 1.717 1.00 0.00 N ATOM 2010 CA ALA A 130 -22.595 -11.144 0.337 1.00 0.00 C ATOM 2011 C ALA A 130 -21.531 -11.861 -0.495 1.00 0.00 C ATOM 2012 O ALA A 130 -21.837 -12.429 -1.546 1.00 0.00 O ATOM 2013 CB ALA A 130 -22.385 -9.638 0.302 1.00 0.00 C ATOM 0 H ALA A 130 -23.488 -12.171 1.929 1.00 0.00 H new ATOM 0 HA ALA A 130 -23.563 -11.364 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -22.355 -9.299 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -23.206 -9.144 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -21.444 -9.390 0.793 1.00 0.00 H new ATOM 2019 N GLY A 131 -20.290 -11.836 -0.022 1.00 0.00 N ATOM 2020 CA GLY A 131 -19.207 -12.515 -0.710 1.00 0.00 C ATOM 2021 C GLY A 131 -19.396 -14.018 -0.713 1.00 0.00 C ATOM 2022 O GLY A 131 -19.013 -14.700 -1.663 1.00 0.00 O ATOM 0 H GLY A 131 -20.013 -11.353 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -19.146 -12.154 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -18.260 -12.269 -0.229 1.00 0.00 H new ATOM 2026 N PHE A 132 -19.995 -14.529 0.355 1.00 0.00 N ATOM 2027 CA PHE A 132 -20.317 -15.932 0.466 1.00 0.00 C ATOM 2028 C PHE A 132 -21.695 -16.195 -0.123 1.00 0.00 C ATOM 2029 O PHE A 132 -21.768 -16.696 -1.264 1.00 0.00 O ATOM 2030 CB PHE A 132 -20.272 -16.356 1.932 1.00 0.00 C ATOM 2031 CG PHE A 132 -18.882 -16.423 2.499 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -18.250 -15.278 2.955 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -18.210 -17.631 2.575 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -16.972 -15.337 3.474 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -16.932 -17.697 3.092 1.00 0.00 C ATOM 2036 CZ PHE A 132 -16.311 -16.548 3.543 1.00 0.00 C ATOM 2037 OXT PHE A 132 -22.700 -15.860 0.541 1.00 0.00 O ATOM 0 H PHE A 132 -20.269 -13.975 1.166 1.00 0.00 H new ATOM 0 HA PHE A 132 -19.584 -16.517 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -20.862 -15.655 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -20.744 -17.333 2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -18.762 -14.329 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -18.691 -18.532 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -16.489 -14.437 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -16.418 -18.645 3.144 1.00 0.00 H new ATOM 0 HZ PHE A 132 -15.311 -16.597 3.948 1.00 0.00 H new TER 2047 PHE A 132