USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 Single : A 1 GLY N :NH3+ -134:sc= 0.0207 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 8 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.6!) USER MOD Single : A 14 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.6!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 21 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.011) USER MOD Single : A 24 SER OG : rot 15:sc= 1.03 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.16 K(o=-1.2,f=-7!) USER MOD Single : A 31 SER OG : rot -56:sc=0.000532 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -14:sc= -1.36 USER MOD Single : A 46 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0056) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 54 MET CE :methyl 179:sc= -6.08! (180deg=-6.09!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -111:sc= 1.24 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -140:sc= -0.394 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc=-0.00484 (180deg=-0.0969) USER MOD Single : A 87 TYR OH : rot 51:sc= -0.686 USER MOD Single : A 90 CYS SG : rot 140:sc= -0.661 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.844 (180deg=0.506) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.00679 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 112 SER OG : rot 46:sc= 0.0775 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.499 -39.890 -14.043 1.00 0.00 N ATOM 2 CA GLY A 1 -24.578 -38.436 -13.730 1.00 0.00 C ATOM 3 C GLY A 1 -23.426 -37.651 -14.323 1.00 0.00 C ATOM 4 O GLY A 1 -22.894 -38.014 -15.372 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.431 -40.229 -14.356 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.802 -40.045 -14.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.208 -40.413 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.519 -38.037 -14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.587 -38.301 -12.648 1.00 0.00 H new ATOM 10 N SER A 2 -23.038 -36.572 -13.651 1.00 0.00 N ATOM 11 CA SER A 2 -21.942 -35.733 -14.118 1.00 0.00 C ATOM 12 C SER A 2 -20.594 -36.378 -13.813 1.00 0.00 C ATOM 13 O SER A 2 -20.455 -37.115 -12.836 1.00 0.00 O ATOM 14 CB SER A 2 -22.016 -34.349 -13.468 1.00 0.00 C ATOM 15 OG SER A 2 -21.479 -34.371 -12.158 1.00 0.00 O ATOM 0 H SER A 2 -23.467 -36.258 -12.780 1.00 0.00 H new ATOM 0 HA SER A 2 -22.037 -35.625 -15.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.469 -33.629 -14.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.053 -34.015 -13.434 1.00 0.00 H new ATOM 0 HG SER A 2 -21.537 -33.475 -11.766 1.00 0.00 H new ATOM 21 N SER A 3 -19.604 -36.097 -14.654 1.00 0.00 N ATOM 22 CA SER A 3 -18.267 -36.652 -14.473 1.00 0.00 C ATOM 23 C SER A 3 -17.279 -35.565 -14.060 1.00 0.00 C ATOM 24 O SER A 3 -16.462 -35.764 -13.161 1.00 0.00 O ATOM 25 CB SER A 3 -17.793 -37.324 -15.762 1.00 0.00 C ATOM 26 OG SER A 3 -18.231 -38.671 -15.827 1.00 0.00 O ATOM 0 H SER A 3 -19.702 -35.489 -15.467 1.00 0.00 H new ATOM 0 HA SER A 3 -18.314 -37.397 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.172 -36.773 -16.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.705 -37.289 -15.815 1.00 0.00 H new ATOM 0 HG SER A 3 -17.916 -39.077 -16.661 1.00 0.00 H new ATOM 32 N GLY A 4 -17.361 -34.416 -14.722 1.00 0.00 N ATOM 33 CA GLY A 4 -16.469 -33.315 -14.410 1.00 0.00 C ATOM 34 C GLY A 4 -15.164 -33.389 -15.179 1.00 0.00 C ATOM 35 O GLY A 4 -14.446 -34.386 -15.103 1.00 0.00 O ATOM 0 H GLY A 4 -18.029 -34.228 -15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.967 -32.372 -14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.257 -33.315 -13.341 1.00 0.00 H new ATOM 39 N SER A 5 -14.857 -32.332 -15.923 1.00 0.00 N ATOM 40 CA SER A 5 -13.631 -32.281 -16.710 1.00 0.00 C ATOM 41 C SER A 5 -13.017 -30.885 -16.671 1.00 0.00 C ATOM 42 O SER A 5 -13.640 -29.909 -17.087 1.00 0.00 O ATOM 43 CB SER A 5 -13.912 -32.685 -18.158 1.00 0.00 C ATOM 44 OG SER A 5 -12.734 -33.145 -18.797 1.00 0.00 O ATOM 0 H SER A 5 -15.441 -31.499 -15.997 1.00 0.00 H new ATOM 0 HA SER A 5 -12.921 -32.984 -16.275 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.671 -33.467 -18.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.317 -31.833 -18.704 1.00 0.00 H new ATOM 0 HG SER A 5 -12.941 -33.399 -19.721 1.00 0.00 H new ATOM 50 N SER A 6 -11.790 -30.798 -16.167 1.00 0.00 N ATOM 51 CA SER A 6 -11.091 -29.521 -16.072 1.00 0.00 C ATOM 52 C SER A 6 -11.859 -28.545 -15.187 1.00 0.00 C ATOM 53 O SER A 6 -12.820 -28.923 -14.516 1.00 0.00 O ATOM 54 CB SER A 6 -10.895 -28.919 -17.465 1.00 0.00 C ATOM 55 OG SER A 6 -9.763 -28.069 -17.498 1.00 0.00 O ATOM 0 H SER A 6 -11.259 -31.596 -15.818 1.00 0.00 H new ATOM 0 HA SER A 6 -10.115 -29.702 -15.621 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.775 -29.718 -18.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.784 -28.357 -17.750 1.00 0.00 H new ATOM 0 HG SER A 6 -9.658 -27.698 -18.399 1.00 0.00 H new ATOM 61 N GLY A 7 -11.429 -27.287 -15.191 1.00 0.00 N ATOM 62 CA GLY A 7 -12.088 -26.277 -14.384 1.00 0.00 C ATOM 63 C GLY A 7 -11.125 -25.223 -13.874 1.00 0.00 C ATOM 64 O GLY A 7 -10.041 -25.043 -14.429 1.00 0.00 O ATOM 0 H GLY A 7 -10.637 -26.950 -15.738 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.868 -25.797 -14.975 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.579 -26.756 -13.537 1.00 0.00 H new ATOM 68 N ASN A 8 -11.522 -24.524 -12.816 1.00 0.00 N ATOM 69 CA ASN A 8 -10.686 -23.481 -12.231 1.00 0.00 C ATOM 70 C ASN A 8 -10.110 -23.932 -10.892 1.00 0.00 C ATOM 71 O ASN A 8 -9.896 -23.120 -9.992 1.00 0.00 O ATOM 72 CB ASN A 8 -11.493 -22.195 -12.046 1.00 0.00 C ATOM 73 CG ASN A 8 -10.688 -20.955 -12.378 1.00 0.00 C ATOM 74 OD1 ASN A 8 -9.657 -21.030 -13.047 1.00 0.00 O ATOM 75 ND2 ASN A 8 -11.154 -19.803 -11.908 1.00 0.00 N ATOM 0 H ASN A 8 -12.417 -24.660 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.859 -23.287 -12.914 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.379 -22.231 -12.681 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.842 -22.133 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.653 -18.935 -12.097 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.013 -19.787 -11.358 1.00 0.00 H new ATOM 82 N GLU A 9 -9.860 -25.232 -10.769 1.00 0.00 N ATOM 83 CA GLU A 9 -9.307 -25.790 -9.540 1.00 0.00 C ATOM 84 C GLU A 9 -7.922 -26.383 -9.782 1.00 0.00 C ATOM 85 O GLU A 9 -7.465 -27.243 -9.029 1.00 0.00 O ATOM 86 CB GLU A 9 -10.242 -26.864 -8.979 1.00 0.00 C ATOM 87 CG GLU A 9 -11.308 -26.313 -8.044 1.00 0.00 C ATOM 88 CD GLU A 9 -12.470 -27.269 -7.857 1.00 0.00 C ATOM 89 OE1 GLU A 9 -12.382 -28.145 -6.971 1.00 0.00 O ATOM 90 OE2 GLU A 9 -13.467 -27.143 -8.598 1.00 0.00 O ATOM 0 H GLU A 9 -10.031 -25.918 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.213 -24.981 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.728 -27.380 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.650 -27.607 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.859 -26.098 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.680 -25.368 -8.440 1.00 0.00 H new ATOM 97 N GLU A 10 -7.257 -25.919 -10.836 1.00 0.00 N ATOM 98 CA GLU A 10 -5.924 -26.404 -11.173 1.00 0.00 C ATOM 99 C GLU A 10 -5.106 -25.318 -11.866 1.00 0.00 C ATOM 100 O GLU A 10 -4.155 -25.611 -12.591 1.00 0.00 O ATOM 101 CB GLU A 10 -6.020 -27.637 -12.073 1.00 0.00 C ATOM 102 CG GLU A 10 -6.626 -28.847 -11.383 1.00 0.00 C ATOM 103 CD GLU A 10 -6.038 -30.155 -11.877 1.00 0.00 C ATOM 104 OE1 GLU A 10 -5.735 -30.251 -13.085 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.881 -31.084 -11.056 1.00 0.00 O ATOM 0 H GLU A 10 -7.620 -25.208 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.420 -26.676 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.619 -27.391 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.023 -27.894 -12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.468 -28.765 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.704 -28.852 -11.547 1.00 0.00 H new ATOM 112 N LEU A 11 -5.481 -24.063 -11.640 1.00 0.00 N ATOM 113 CA LEU A 11 -4.782 -22.934 -12.243 1.00 0.00 C ATOM 114 C LEU A 11 -4.385 -21.910 -11.183 1.00 0.00 C ATOM 115 O LEU A 11 -3.275 -21.380 -11.204 1.00 0.00 O ATOM 116 CB LEU A 11 -5.663 -22.270 -13.304 1.00 0.00 C ATOM 117 CG LEU A 11 -5.012 -21.100 -14.046 1.00 0.00 C ATOM 118 CD1 LEU A 11 -4.372 -21.578 -15.339 1.00 0.00 C ATOM 119 CD2 LEU A 11 -6.037 -20.011 -14.327 1.00 0.00 C ATOM 0 H LEU A 11 -6.266 -23.802 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.875 -23.311 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.958 -23.024 -14.034 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.576 -21.915 -12.826 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.231 -20.681 -13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.914 -20.733 -15.853 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.608 -22.322 -15.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.134 -22.023 -15.979 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.557 -19.187 -14.855 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.840 -20.417 -14.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.449 -19.648 -13.386 1.00 0.00 H new ATOM 131 N ARG A 12 -5.301 -21.639 -10.257 1.00 0.00 N ATOM 132 CA ARG A 12 -5.048 -20.680 -9.187 1.00 0.00 C ATOM 133 C ARG A 12 -3.779 -21.039 -8.418 1.00 0.00 C ATOM 134 O ARG A 12 -3.085 -20.163 -7.904 1.00 0.00 O ATOM 135 CB ARG A 12 -6.244 -20.628 -8.232 1.00 0.00 C ATOM 136 CG ARG A 12 -7.108 -19.390 -8.407 1.00 0.00 C ATOM 137 CD ARG A 12 -7.855 -19.048 -7.127 1.00 0.00 C ATOM 138 NE ARG A 12 -8.644 -17.826 -7.264 1.00 0.00 N ATOM 139 CZ ARG A 12 -9.630 -17.485 -6.438 1.00 0.00 C ATOM 140 NH1 ARG A 12 -9.951 -18.269 -5.417 1.00 0.00 N ATOM 141 NH2 ARG A 12 -10.298 -16.356 -6.633 1.00 0.00 N ATOM 0 H ARG A 12 -6.225 -22.070 -10.227 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.907 -19.698 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.859 -21.515 -8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.880 -20.665 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.483 -18.547 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.822 -19.554 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.512 -19.875 -6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.142 -18.929 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.426 -17.198 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.441 -19.139 -5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.708 -18.002 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.056 -15.749 -7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.054 -16.095 -6.000 1.00 0.00 H new ATOM 155 N ALA A 13 -3.484 -22.332 -8.346 1.00 0.00 N ATOM 156 CA ALA A 13 -2.299 -22.807 -7.642 1.00 0.00 C ATOM 157 C ALA A 13 -1.065 -22.738 -8.537 1.00 0.00 C ATOM 158 O ALA A 13 0.052 -22.543 -8.058 1.00 0.00 O ATOM 159 CB ALA A 13 -2.514 -24.229 -7.145 1.00 0.00 C ATOM 0 H ALA A 13 -4.049 -23.070 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.131 -22.156 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.621 -24.570 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.365 -24.252 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.710 -24.885 -7.993 1.00 0.00 H new ATOM 165 N GLN A 14 -1.276 -22.901 -9.839 1.00 0.00 N ATOM 166 CA GLN A 14 -0.182 -22.857 -10.802 1.00 0.00 C ATOM 167 C GLN A 14 0.420 -21.455 -10.880 1.00 0.00 C ATOM 168 O GLN A 14 1.601 -21.293 -11.185 1.00 0.00 O ATOM 169 CB GLN A 14 -0.674 -23.295 -12.184 1.00 0.00 C ATOM 170 CG GLN A 14 0.160 -24.404 -12.802 1.00 0.00 C ATOM 171 CD GLN A 14 1.197 -23.881 -13.777 1.00 0.00 C ATOM 172 OE1 GLN A 14 1.152 -22.720 -14.186 1.00 0.00 O ATOM 173 NE2 GLN A 14 2.138 -24.738 -14.157 1.00 0.00 N ATOM 0 H GLN A 14 -2.194 -23.065 -10.251 1.00 0.00 H new ATOM 0 HA GLN A 14 0.594 -23.545 -10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.708 -23.631 -12.103 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.670 -22.434 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.660 -24.961 -12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.498 -25.104 -13.318 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.137 -25.691 -13.793 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.861 -24.443 -14.813 1.00 0.00 H new ATOM 182 N GLN A 15 -0.401 -20.446 -10.603 1.00 0.00 N ATOM 183 CA GLN A 15 0.053 -19.060 -10.642 1.00 0.00 C ATOM 184 C GLN A 15 0.427 -18.569 -9.248 1.00 0.00 C ATOM 185 O GLN A 15 0.157 -17.424 -8.889 1.00 0.00 O ATOM 186 CB GLN A 15 -1.035 -18.164 -11.237 1.00 0.00 C ATOM 187 CG GLN A 15 -1.415 -18.532 -12.663 1.00 0.00 C ATOM 188 CD GLN A 15 -1.432 -17.332 -13.591 1.00 0.00 C ATOM 189 OE1 GLN A 15 -0.413 -16.671 -13.790 1.00 0.00 O ATOM 190 NE2 GLN A 15 -2.595 -17.043 -14.163 1.00 0.00 N ATOM 0 H GLN A 15 -1.382 -20.562 -10.350 1.00 0.00 H new ATOM 0 HA GLN A 15 0.941 -19.012 -11.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.923 -18.219 -10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.693 -17.129 -11.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.710 -19.271 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.399 -19.001 -12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.415 -17.618 -13.970 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.668 -16.246 -14.795 1.00 0.00 H new ATOM 199 N GLU A 16 1.052 -19.443 -8.466 1.00 0.00 N ATOM 200 CA GLU A 16 1.465 -19.099 -7.111 1.00 0.00 C ATOM 201 C GLU A 16 2.985 -19.018 -7.008 1.00 0.00 C ATOM 202 O GLU A 16 3.524 -18.217 -6.245 1.00 0.00 O ATOM 203 CB GLU A 16 0.929 -20.129 -6.114 1.00 0.00 C ATOM 204 CG GLU A 16 -0.544 -19.950 -5.788 1.00 0.00 C ATOM 205 CD GLU A 16 -0.913 -20.511 -4.429 1.00 0.00 C ATOM 206 OE1 GLU A 16 -0.466 -21.632 -4.108 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.648 -19.828 -3.685 1.00 0.00 O ATOM 0 H GLU A 16 1.284 -20.395 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 16 1.050 -18.120 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.084 -21.129 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.507 -20.065 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.793 -18.889 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.144 -20.440 -6.554 1.00 0.00 H new ATOM 214 N ALA A 17 3.670 -19.852 -7.784 1.00 0.00 N ATOM 215 CA ALA A 17 5.128 -19.875 -7.782 1.00 0.00 C ATOM 216 C ALA A 17 5.686 -19.395 -9.117 1.00 0.00 C ATOM 217 O ALA A 17 6.679 -18.670 -9.162 1.00 0.00 O ATOM 218 CB ALA A 17 5.633 -21.275 -7.468 1.00 0.00 C ATOM 0 H ALA A 17 3.239 -20.521 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 17 5.477 -19.193 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.723 -21.278 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.271 -21.581 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.267 -21.971 -8.223 1.00 0.00 H new ATOM 224 N GLU A 18 5.039 -19.805 -10.203 1.00 0.00 N ATOM 225 CA GLU A 18 5.471 -19.416 -11.541 1.00 0.00 C ATOM 226 C GLU A 18 5.321 -17.912 -11.744 1.00 0.00 C ATOM 227 O GLU A 18 6.093 -17.295 -12.480 1.00 0.00 O ATOM 228 CB GLU A 18 4.662 -20.168 -12.600 1.00 0.00 C ATOM 229 CG GLU A 18 5.240 -21.528 -12.955 1.00 0.00 C ATOM 230 CD GLU A 18 6.463 -21.427 -13.844 1.00 0.00 C ATOM 231 OE1 GLU A 18 7.392 -20.669 -13.494 1.00 0.00 O ATOM 232 OE2 GLU A 18 6.493 -22.106 -14.892 1.00 0.00 O ATOM 0 H GLU A 18 4.215 -20.406 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 18 6.524 -19.676 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.641 -20.299 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.606 -19.559 -13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.504 -22.057 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.478 -22.123 -13.458 1.00 0.00 H new ATOM 239 N ALA A 19 4.326 -17.327 -11.087 1.00 0.00 N ATOM 240 CA ALA A 19 4.076 -15.895 -11.195 1.00 0.00 C ATOM 241 C ALA A 19 4.685 -15.143 -10.017 1.00 0.00 C ATOM 242 O ALA A 19 4.133 -14.145 -9.552 1.00 0.00 O ATOM 243 CB ALA A 19 2.581 -15.626 -11.279 1.00 0.00 C ATOM 0 H ALA A 19 3.679 -17.823 -10.474 1.00 0.00 H new ATOM 0 HA ALA A 19 4.551 -15.535 -12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.408 -14.553 -11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.170 -16.126 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.092 -16.006 -10.382 1.00 0.00 H new ATOM 249 N ALA A 20 5.827 -15.627 -9.539 1.00 0.00 N ATOM 250 CA ALA A 20 6.511 -15.000 -8.415 1.00 0.00 C ATOM 251 C ALA A 20 7.806 -14.331 -8.865 1.00 0.00 C ATOM 252 O ALA A 20 8.208 -13.303 -8.318 1.00 0.00 O ATOM 253 CB ALA A 20 6.796 -16.029 -7.332 1.00 0.00 C ATOM 0 H ALA A 20 6.298 -16.451 -9.913 1.00 0.00 H new ATOM 0 HA ALA A 20 5.857 -14.229 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.307 -15.548 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.857 -16.459 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.428 -16.819 -7.738 1.00 0.00 H new ATOM 259 N GLN A 21 8.455 -14.921 -9.862 1.00 0.00 N ATOM 260 CA GLN A 21 9.705 -14.382 -10.387 1.00 0.00 C ATOM 261 C GLN A 21 9.440 -13.242 -11.364 1.00 0.00 C ATOM 262 O GLN A 21 10.128 -12.223 -11.346 1.00 0.00 O ATOM 263 CB GLN A 21 10.510 -15.485 -11.076 1.00 0.00 C ATOM 264 CG GLN A 21 11.472 -16.207 -10.148 1.00 0.00 C ATOM 265 CD GLN A 21 10.819 -17.364 -9.417 1.00 0.00 C ATOM 266 OE1 GLN A 21 10.808 -17.411 -8.187 1.00 0.00 O ATOM 267 NE2 GLN A 21 10.269 -18.307 -10.174 1.00 0.00 N ATOM 0 H GLN A 21 8.137 -15.773 -10.324 1.00 0.00 H new ATOM 0 HA GLN A 21 10.282 -13.990 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.821 -16.211 -11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.073 -15.050 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.319 -16.578 -10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.869 -15.499 -9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.301 -18.228 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.815 -19.110 -9.739 1.00 0.00 H new ATOM 276 N ARG A 22 8.435 -13.423 -12.217 1.00 0.00 N ATOM 277 CA ARG A 22 8.078 -12.409 -13.202 1.00 0.00 C ATOM 278 C ARG A 22 7.475 -11.182 -12.526 1.00 0.00 C ATOM 279 O ARG A 22 7.632 -10.058 -13.003 1.00 0.00 O ATOM 280 CB ARG A 22 7.090 -12.983 -14.219 1.00 0.00 C ATOM 281 CG ARG A 22 7.723 -13.959 -15.198 1.00 0.00 C ATOM 282 CD ARG A 22 8.236 -13.251 -16.441 1.00 0.00 C ATOM 283 NE ARG A 22 9.695 -13.165 -16.459 1.00 0.00 N ATOM 284 CZ ARG A 22 10.378 -12.320 -17.227 1.00 0.00 C ATOM 285 NH1 ARG A 22 9.741 -11.487 -18.040 1.00 0.00 N ATOM 286 NH2 ARG A 22 11.703 -12.308 -17.183 1.00 0.00 N ATOM 0 H ARG A 22 7.855 -14.262 -12.245 1.00 0.00 H new ATOM 0 HA ARG A 22 8.987 -12.105 -13.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.284 -13.487 -13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.638 -12.163 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.546 -14.482 -14.711 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.991 -14.714 -15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.893 -13.783 -17.329 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.813 -12.247 -16.487 1.00 0.00 H new ATOM 0 HE ARG A 22 10.220 -13.789 -15.847 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.722 -11.492 -18.079 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.271 -10.842 -18.626 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.198 -12.946 -16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.227 -11.660 -17.772 1.00 0.00 H new ATOM 300 N LEU A 23 6.783 -11.406 -11.414 1.00 0.00 N ATOM 301 CA LEU A 23 6.156 -10.318 -10.673 1.00 0.00 C ATOM 302 C LEU A 23 7.025 -9.890 -9.494 1.00 0.00 C ATOM 303 O LEU A 23 6.516 -9.518 -8.438 1.00 0.00 O ATOM 304 CB LEU A 23 4.774 -10.744 -10.174 1.00 0.00 C ATOM 305 CG LEU A 23 3.745 -9.616 -10.074 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.037 -9.420 -11.405 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.740 -9.911 -8.970 1.00 0.00 C ATOM 0 H LEU A 23 6.642 -12.330 -11.006 1.00 0.00 H new ATOM 0 HA LEU A 23 6.046 -9.469 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.384 -11.512 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.885 -11.202 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 23 4.267 -8.692 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.309 -8.614 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.768 -9.164 -12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.525 -10.341 -11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.015 -9.099 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.222 -10.845 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.262 -10.000 -8.017 1.00 0.00 H new ATOM 319 N SER A 24 8.340 -9.947 -9.683 1.00 0.00 N ATOM 320 CA SER A 24 9.279 -9.566 -8.636 1.00 0.00 C ATOM 321 C SER A 24 9.588 -8.074 -8.698 1.00 0.00 C ATOM 322 O SER A 24 9.867 -7.444 -7.678 1.00 0.00 O ATOM 323 CB SER A 24 10.574 -10.372 -8.765 1.00 0.00 C ATOM 324 OG SER A 24 10.348 -11.745 -8.496 1.00 0.00 O ATOM 0 H SER A 24 8.778 -10.253 -10.552 1.00 0.00 H new ATOM 0 HA SER A 24 8.817 -9.783 -7.673 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.979 -10.257 -9.770 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.320 -9.981 -8.074 1.00 0.00 H new ATOM 0 HG SER A 24 9.386 -11.929 -8.521 1.00 0.00 H new ATOM 330 N GLU A 25 9.536 -7.512 -9.903 1.00 0.00 N ATOM 331 CA GLU A 25 9.810 -6.093 -10.097 1.00 0.00 C ATOM 332 C GLU A 25 8.805 -5.237 -9.333 1.00 0.00 C ATOM 333 O GLU A 25 9.176 -4.265 -8.675 1.00 0.00 O ATOM 334 CB GLU A 25 9.773 -5.746 -11.587 1.00 0.00 C ATOM 335 CG GLU A 25 11.010 -5.004 -12.069 1.00 0.00 C ATOM 336 CD GLU A 25 11.232 -5.148 -13.561 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.437 -4.577 -14.337 1.00 0.00 O ATOM 338 OE2 GLU A 25 12.200 -5.832 -13.955 1.00 0.00 O ATOM 0 H GLU A 25 9.307 -8.018 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 25 10.806 -5.881 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.663 -6.665 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.892 -5.136 -11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.915 -3.947 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.884 -5.379 -11.537 1.00 0.00 H new ATOM 345 N GLU A 26 7.531 -5.605 -9.425 1.00 0.00 N ATOM 346 CA GLU A 26 6.472 -4.872 -8.742 1.00 0.00 C ATOM 347 C GLU A 26 6.646 -4.950 -7.229 1.00 0.00 C ATOM 348 O GLU A 26 6.441 -3.967 -6.518 1.00 0.00 O ATOM 349 CB GLU A 26 5.102 -5.422 -9.143 1.00 0.00 C ATOM 350 CG GLU A 26 4.400 -4.593 -10.205 1.00 0.00 C ATOM 351 CD GLU A 26 2.927 -4.389 -9.908 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.601 -3.467 -9.130 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.101 -5.150 -10.452 1.00 0.00 O ATOM 0 H GLU A 26 7.207 -6.407 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 26 6.535 -3.826 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.222 -6.441 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.468 -5.475 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.889 -3.622 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.507 -5.083 -11.173 1.00 0.00 H new ATOM 360 N LYS A 27 7.026 -6.127 -6.743 1.00 0.00 N ATOM 361 CA LYS A 27 7.227 -6.335 -5.314 1.00 0.00 C ATOM 362 C LYS A 27 8.333 -5.428 -4.783 1.00 0.00 C ATOM 363 O LYS A 27 8.257 -4.933 -3.659 1.00 0.00 O ATOM 364 CB LYS A 27 7.574 -7.799 -5.034 1.00 0.00 C ATOM 365 CG LYS A 27 7.666 -8.130 -3.554 1.00 0.00 C ATOM 366 CD LYS A 27 7.633 -9.631 -3.316 1.00 0.00 C ATOM 367 CE LYS A 27 8.933 -10.291 -3.746 1.00 0.00 C ATOM 368 NZ LYS A 27 8.795 -11.770 -3.858 1.00 0.00 N ATOM 0 H LYS A 27 7.201 -6.951 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 27 6.298 -6.085 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.819 -8.437 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.525 -8.036 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.587 -7.716 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.840 -7.658 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.455 -9.829 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.801 -10.070 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.247 -9.882 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.716 -10.053 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.703 -12.182 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.520 -12.164 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.066 -11.998 -4.563 1.00 0.00 H new ATOM 382 N ALA A 28 9.358 -5.214 -5.601 1.00 0.00 N ATOM 383 CA ALA A 28 10.479 -4.366 -5.215 1.00 0.00 C ATOM 384 C ALA A 28 10.026 -2.928 -4.991 1.00 0.00 C ATOM 385 O ALA A 28 10.558 -2.226 -4.131 1.00 0.00 O ATOM 386 CB ALA A 28 11.569 -4.420 -6.274 1.00 0.00 C ATOM 0 H ALA A 28 9.435 -5.616 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 28 10.882 -4.743 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.400 -3.782 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.920 -5.446 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.169 -4.070 -7.226 1.00 0.00 H new ATOM 392 N GLN A 29 9.042 -2.494 -5.772 1.00 0.00 N ATOM 393 CA GLN A 29 8.517 -1.139 -5.659 1.00 0.00 C ATOM 394 C GLN A 29 7.420 -1.067 -4.602 1.00 0.00 C ATOM 395 O GLN A 29 7.310 -0.081 -3.873 1.00 0.00 O ATOM 396 CB GLN A 29 7.974 -0.666 -7.008 1.00 0.00 C ATOM 397 CG GLN A 29 8.938 -0.885 -8.163 1.00 0.00 C ATOM 398 CD GLN A 29 8.236 -1.336 -9.430 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.023 -1.186 -9.569 1.00 0.00 O ATOM 400 NE2 GLN A 29 9.000 -1.894 -10.362 1.00 0.00 N ATOM 0 H GLN A 29 8.592 -3.062 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 29 9.333 -0.484 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.042 -1.190 -7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.735 0.395 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.478 0.041 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.679 -1.632 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.002 -1.999 -10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.584 -2.218 -11.235 1.00 0.00 H new ATOM 409 N ALA A 30 6.611 -2.119 -4.525 1.00 0.00 N ATOM 410 CA ALA A 30 5.522 -2.176 -3.557 1.00 0.00 C ATOM 411 C ALA A 30 6.056 -2.322 -2.135 1.00 0.00 C ATOM 412 O ALA A 30 5.406 -1.912 -1.174 1.00 0.00 O ATOM 413 CB ALA A 30 4.582 -3.324 -3.890 1.00 0.00 C ATOM 0 H ALA A 30 6.689 -2.943 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 30 4.969 -1.238 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.773 -3.356 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.166 -3.176 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.132 -4.264 -3.863 1.00 0.00 H new ATOM 419 N SER A 31 7.243 -2.908 -2.010 1.00 0.00 N ATOM 420 CA SER A 31 7.862 -3.107 -0.704 1.00 0.00 C ATOM 421 C SER A 31 8.874 -2.004 -0.407 1.00 0.00 C ATOM 422 O SER A 31 9.883 -2.237 0.259 1.00 0.00 O ATOM 423 CB SER A 31 8.548 -4.474 -0.644 1.00 0.00 C ATOM 424 OG SER A 31 8.638 -4.941 0.690 1.00 0.00 O ATOM 0 H SER A 31 7.795 -3.253 -2.796 1.00 0.00 H new ATOM 0 HA SER A 31 7.077 -3.068 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.990 -5.191 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.546 -4.403 -1.076 1.00 0.00 H new ATOM 0 HG SER A 31 9.104 -4.276 1.239 1.00 0.00 H new ATOM 430 N ALA A 32 8.597 -0.803 -0.905 1.00 0.00 N ATOM 431 CA ALA A 32 9.482 0.335 -0.693 1.00 0.00 C ATOM 432 C ALA A 32 8.694 1.576 -0.291 1.00 0.00 C ATOM 433 O ALA A 32 9.071 2.289 0.639 1.00 0.00 O ATOM 434 CB ALA A 32 10.298 0.610 -1.949 1.00 0.00 C ATOM 0 H ALA A 32 7.766 -0.594 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 32 10.162 0.088 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.955 1.463 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.898 -0.267 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.626 0.831 -2.778 1.00 0.00 H new ATOM 440 N ILE A 33 7.596 1.829 -0.997 1.00 0.00 N ATOM 441 CA ILE A 33 6.753 2.983 -0.713 1.00 0.00 C ATOM 442 C ILE A 33 6.008 2.806 0.606 1.00 0.00 C ATOM 443 O ILE A 33 5.181 1.905 0.748 1.00 0.00 O ATOM 444 CB ILE A 33 5.730 3.224 -1.840 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.434 3.265 -3.198 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.965 4.517 -1.596 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.490 3.128 -4.373 1.00 0.00 C ATOM 0 H ILE A 33 7.270 1.249 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 33 7.413 3.848 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 33 5.018 2.399 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.979 4.205 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.172 2.464 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.247 4.672 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.436 4.453 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.664 5.353 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.058 3.166 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.964 2.176 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.767 3.944 -4.356 1.00 0.00 H new ATOM 459 N SER A 34 6.305 3.672 1.569 1.00 0.00 N ATOM 460 CA SER A 34 5.662 3.612 2.877 1.00 0.00 C ATOM 461 C SER A 34 4.317 4.329 2.856 1.00 0.00 C ATOM 462 O SER A 34 4.150 5.337 2.168 1.00 0.00 O ATOM 463 CB SER A 34 6.567 4.232 3.943 1.00 0.00 C ATOM 464 OG SER A 34 7.207 5.399 3.453 1.00 0.00 O ATOM 0 H SER A 34 6.987 4.424 1.469 1.00 0.00 H new ATOM 0 HA SER A 34 5.490 2.564 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.977 4.480 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.317 3.506 4.255 1.00 0.00 H new ATOM 0 HG SER A 34 7.778 5.777 4.154 1.00 0.00 H new ATOM 470 N VAL A 35 3.360 3.803 3.614 1.00 0.00 N ATOM 471 CA VAL A 35 2.029 4.394 3.682 1.00 0.00 C ATOM 472 C VAL A 35 2.022 5.634 4.569 1.00 0.00 C ATOM 473 O VAL A 35 2.631 5.647 5.639 1.00 0.00 O ATOM 474 CB VAL A 35 0.994 3.388 4.219 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.413 3.952 4.099 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.109 2.060 3.484 1.00 0.00 C ATOM 0 H VAL A 35 3.482 2.969 4.189 1.00 0.00 H new ATOM 0 HA VAL A 35 1.757 4.676 2.665 1.00 0.00 H new ATOM 0 HB VAL A 35 1.200 3.212 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.130 3.226 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.486 4.874 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.634 4.160 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.370 1.362 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.931 2.216 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.109 1.650 3.628 1.00 0.00 H new ATOM 486 N GLY A 36 1.331 6.676 4.117 1.00 0.00 N ATOM 487 CA GLY A 36 1.259 7.906 4.882 1.00 0.00 C ATOM 488 C GLY A 36 2.259 8.943 4.410 1.00 0.00 C ATOM 489 O GLY A 36 2.695 9.794 5.185 1.00 0.00 O ATOM 0 H GLY A 36 0.820 6.690 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.252 8.317 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.438 7.686 5.935 1.00 0.00 H new ATOM 493 N SER A 37 2.624 8.872 3.134 1.00 0.00 N ATOM 494 CA SER A 37 3.579 9.813 2.559 1.00 0.00 C ATOM 495 C SER A 37 3.081 10.340 1.217 1.00 0.00 C ATOM 496 O SER A 37 2.393 9.636 0.480 1.00 0.00 O ATOM 497 CB SER A 37 4.943 9.143 2.383 1.00 0.00 C ATOM 498 OG SER A 37 5.741 9.295 3.543 1.00 0.00 O ATOM 0 H SER A 37 2.273 8.173 2.479 1.00 0.00 H new ATOM 0 HA SER A 37 3.681 10.654 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.806 8.083 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.457 9.577 1.525 1.00 0.00 H new ATOM 0 HG SER A 37 6.606 8.856 3.405 1.00 0.00 H new ATOM 504 N ARG A 38 3.435 11.583 0.908 1.00 0.00 N ATOM 505 CA ARG A 38 3.022 12.205 -0.345 1.00 0.00 C ATOM 506 C ARG A 38 3.894 11.728 -1.501 1.00 0.00 C ATOM 507 O ARG A 38 5.114 11.626 -1.372 1.00 0.00 O ATOM 508 CB ARG A 38 3.093 13.728 -0.232 1.00 0.00 C ATOM 509 CG ARG A 38 2.058 14.316 0.712 1.00 0.00 C ATOM 510 CD ARG A 38 2.528 14.264 2.156 1.00 0.00 C ATOM 511 NE ARG A 38 3.817 14.928 2.336 1.00 0.00 N ATOM 512 CZ ARG A 38 4.465 14.988 3.498 1.00 0.00 C ATOM 513 NH1 ARG A 38 3.949 14.425 4.582 1.00 0.00 N ATOM 514 NH2 ARG A 38 5.631 15.613 3.573 1.00 0.00 N ATOM 0 H ARG A 38 4.006 12.179 1.507 1.00 0.00 H new ATOM 0 HA ARG A 38 1.991 11.911 -0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.088 14.013 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.959 14.164 -1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.854 15.349 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.121 13.768 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.784 14.737 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.608 13.225 2.474 1.00 0.00 H new ATOM 0 HE ARG A 38 4.246 15.372 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.052 13.943 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.449 14.474 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.031 16.047 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.128 15.660 4.462 1.00 0.00 H new ATOM 528 N CYS A 39 3.260 11.436 -2.631 1.00 0.00 N ATOM 529 CA CYS A 39 3.976 10.968 -3.813 1.00 0.00 C ATOM 530 C CYS A 39 3.296 11.455 -5.089 1.00 0.00 C ATOM 531 O CYS A 39 2.281 12.149 -5.038 1.00 0.00 O ATOM 532 CB CYS A 39 4.054 9.440 -3.816 1.00 0.00 C ATOM 533 SG CYS A 39 4.573 8.722 -2.240 1.00 0.00 S ATOM 0 H CYS A 39 2.251 11.515 -2.754 1.00 0.00 H new ATOM 0 HA CYS A 39 4.986 11.377 -3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.076 9.038 -4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.750 9.124 -4.593 1.00 0.00 H new ATOM 0 HG CYS A 39 5.062 9.655 -1.478 1.00 0.00 H new ATOM 539 N GLU A 40 3.864 11.085 -6.232 1.00 0.00 N ATOM 540 CA GLU A 40 3.313 11.482 -7.523 1.00 0.00 C ATOM 541 C GLU A 40 2.579 10.318 -8.180 1.00 0.00 C ATOM 542 O GLU A 40 2.802 9.158 -7.836 1.00 0.00 O ATOM 543 CB GLU A 40 4.426 11.985 -8.444 1.00 0.00 C ATOM 544 CG GLU A 40 4.721 13.467 -8.288 1.00 0.00 C ATOM 545 CD GLU A 40 5.806 13.743 -7.264 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.094 12.843 -6.448 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.366 14.858 -7.279 1.00 0.00 O ATOM 0 H GLU A 40 4.705 10.511 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 40 2.600 12.289 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.336 11.419 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.148 11.785 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.024 13.876 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.809 13.986 -7.994 1.00 0.00 H new ATOM 554 N VAL A 41 1.703 10.636 -9.127 1.00 0.00 N ATOM 555 CA VAL A 41 0.936 9.615 -9.832 1.00 0.00 C ATOM 556 C VAL A 41 0.805 9.951 -11.313 1.00 0.00 C ATOM 557 O VAL A 41 0.445 11.070 -11.678 1.00 0.00 O ATOM 558 CB VAL A 41 -0.471 9.452 -9.229 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.177 8.248 -9.834 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.392 9.326 -7.714 1.00 0.00 C ATOM 0 H VAL A 41 1.506 11.592 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 41 1.481 8.678 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.053 10.343 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.170 8.150 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.269 8.384 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.599 7.347 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.396 9.212 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.208 8.454 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.069 10.222 -7.298 1.00 0.00 H new ATOM 570 N ARG A 42 1.100 8.973 -12.164 1.00 0.00 N ATOM 571 CA ARG A 42 1.014 9.162 -13.607 1.00 0.00 C ATOM 572 C ARG A 42 -0.174 8.401 -14.185 1.00 0.00 C ATOM 573 O ARG A 42 -0.190 7.170 -14.194 1.00 0.00 O ATOM 574 CB ARG A 42 2.309 8.698 -14.278 1.00 0.00 C ATOM 575 CG ARG A 42 3.315 9.817 -14.500 1.00 0.00 C ATOM 576 CD ARG A 42 4.508 9.344 -15.317 1.00 0.00 C ATOM 577 NE ARG A 42 5.774 9.614 -14.641 1.00 0.00 N ATOM 578 CZ ARG A 42 6.957 9.617 -15.254 1.00 0.00 C ATOM 579 NH1 ARG A 42 7.037 9.366 -16.555 1.00 0.00 N ATOM 580 NH2 ARG A 42 8.059 9.872 -14.564 1.00 0.00 N ATOM 0 H ARG A 42 1.401 8.041 -11.878 1.00 0.00 H new ATOM 0 HA ARG A 42 0.870 10.225 -13.803 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.769 7.924 -13.664 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.068 8.242 -15.238 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.829 10.648 -15.012 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.659 10.194 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.418 8.274 -15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.502 9.839 -16.288 1.00 0.00 H new ATOM 0 HE ARG A 42 5.751 9.812 -13.641 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.191 9.170 -17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.945 9.369 -17.020 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.001 10.066 -13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.965 9.874 -15.033 1.00 0.00 H new ATOM 594 N ALA A 43 -1.167 9.140 -14.666 1.00 0.00 N ATOM 595 CA ALA A 43 -2.360 8.533 -15.245 1.00 0.00 C ATOM 596 C ALA A 43 -2.758 9.234 -16.543 1.00 0.00 C ATOM 597 O ALA A 43 -2.624 10.451 -16.666 1.00 0.00 O ATOM 598 CB ALA A 43 -3.507 8.572 -14.249 1.00 0.00 C ATOM 0 H ALA A 43 -1.170 10.160 -14.667 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.132 7.493 -15.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.391 8.116 -14.694 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.228 8.021 -13.351 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.726 9.607 -13.987 1.00 0.00 H new ATOM 604 N PRO A 44 -3.258 8.471 -17.532 1.00 0.00 N ATOM 605 CA PRO A 44 -3.677 9.026 -18.822 1.00 0.00 C ATOM 606 C PRO A 44 -5.022 9.745 -18.745 1.00 0.00 C ATOM 607 O PRO A 44 -5.481 10.325 -19.730 1.00 0.00 O ATOM 608 CB PRO A 44 -3.783 7.789 -19.712 1.00 0.00 C ATOM 609 CG PRO A 44 -4.133 6.685 -18.776 1.00 0.00 C ATOM 610 CD PRO A 44 -3.454 7.008 -17.471 1.00 0.00 C ATOM 0 HA PRO A 44 -2.979 9.780 -19.187 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.547 7.916 -20.479 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.844 7.589 -20.228 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.213 6.613 -18.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.794 5.724 -19.164 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.069 6.721 -16.618 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.505 6.481 -17.372 1.00 0.00 H new ATOM 618 N ASP A 45 -5.652 9.705 -17.573 1.00 0.00 N ATOM 619 CA ASP A 45 -6.944 10.354 -17.377 1.00 0.00 C ATOM 620 C ASP A 45 -6.867 11.841 -17.711 1.00 0.00 C ATOM 621 O ASP A 45 -7.820 12.421 -18.231 1.00 0.00 O ATOM 622 CB ASP A 45 -7.418 10.168 -15.934 1.00 0.00 C ATOM 623 CG ASP A 45 -8.346 8.979 -15.779 1.00 0.00 C ATOM 624 OD1 ASP A 45 -8.033 7.905 -16.335 1.00 0.00 O ATOM 625 OD2 ASP A 45 -9.385 9.122 -15.101 1.00 0.00 O ATOM 0 H ASP A 45 -5.289 9.230 -16.746 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.661 9.887 -18.052 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.553 10.037 -15.284 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.931 11.071 -15.604 1.00 0.00 H new ATOM 630 N HIS A 46 -5.725 12.451 -17.411 1.00 0.00 N ATOM 631 CA HIS A 46 -5.524 13.869 -17.680 1.00 0.00 C ATOM 632 C HIS A 46 -4.046 14.236 -17.589 1.00 0.00 C ATOM 633 O HIS A 46 -3.389 14.465 -18.604 1.00 0.00 O ATOM 634 CB HIS A 46 -6.337 14.716 -16.698 1.00 0.00 C ATOM 635 CG HIS A 46 -7.256 15.690 -17.368 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.527 15.964 -16.909 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.084 16.458 -18.470 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.097 16.857 -17.698 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.241 17.173 -18.652 1.00 0.00 N ATOM 0 H HIS A 46 -4.925 11.985 -16.982 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.867 14.074 -18.694 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.924 14.055 -16.060 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.653 15.262 -16.048 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.201 16.500 -19.090 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.093 17.260 -17.582 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.412 17.841 -19.403 1.00 0.00 H new ATOM 648 N SER A 47 -3.529 14.290 -16.365 1.00 0.00 N ATOM 649 CA SER A 47 -2.128 14.630 -16.141 1.00 0.00 C ATOM 650 C SER A 47 -1.657 14.125 -14.782 1.00 0.00 C ATOM 651 O SER A 47 -2.414 13.490 -14.047 1.00 0.00 O ATOM 652 CB SER A 47 -1.927 16.143 -16.235 1.00 0.00 C ATOM 653 OG SER A 47 -2.889 16.835 -15.456 1.00 0.00 O ATOM 0 H SER A 47 -4.059 14.103 -15.514 1.00 0.00 H new ATOM 0 HA SER A 47 -1.534 14.144 -16.915 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.924 16.402 -15.894 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.002 16.459 -17.276 1.00 0.00 H new ATOM 0 HG SER A 47 -2.738 17.800 -15.532 1.00 0.00 H new ATOM 659 N LEU A 48 -0.401 14.411 -14.454 1.00 0.00 N ATOM 660 CA LEU A 48 0.173 13.986 -13.182 1.00 0.00 C ATOM 661 C LEU A 48 -0.523 14.677 -12.013 1.00 0.00 C ATOM 662 O LEU A 48 -1.027 15.792 -12.149 1.00 0.00 O ATOM 663 CB LEU A 48 1.675 14.284 -13.152 1.00 0.00 C ATOM 664 CG LEU A 48 2.579 13.064 -13.333 1.00 0.00 C ATOM 665 CD1 LEU A 48 3.893 13.466 -13.986 1.00 0.00 C ATOM 666 CD2 LEU A 48 2.833 12.386 -11.995 1.00 0.00 C ATOM 0 H LEU A 48 0.239 14.935 -15.051 1.00 0.00 H new ATOM 0 HA LEU A 48 0.023 12.911 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.903 15.006 -13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.917 14.759 -12.201 1.00 0.00 H new ATOM 0 HG LEU A 48 2.073 12.354 -13.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.524 12.585 -14.107 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.694 13.907 -14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.404 14.195 -13.357 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.478 11.520 -12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.318 13.089 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.885 12.063 -11.565 1.00 0.00 H new ATOM 678 N ARG A 49 -0.545 14.008 -10.865 1.00 0.00 N ATOM 679 CA ARG A 49 -1.178 14.557 -9.672 1.00 0.00 C ATOM 680 C ARG A 49 -0.489 14.049 -8.409 1.00 0.00 C ATOM 681 O ARG A 49 0.087 12.962 -8.399 1.00 0.00 O ATOM 682 CB ARG A 49 -2.662 14.188 -9.640 1.00 0.00 C ATOM 683 CG ARG A 49 -3.485 14.880 -10.715 1.00 0.00 C ATOM 684 CD ARG A 49 -4.974 14.655 -10.507 1.00 0.00 C ATOM 685 NE ARG A 49 -5.312 13.235 -10.466 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.343 12.448 -11.540 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.056 12.939 -12.739 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.661 11.167 -11.414 1.00 0.00 N ATOM 0 H ARG A 49 -0.132 13.085 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.082 15.642 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.762 13.109 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.070 14.442 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.273 15.949 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.193 14.506 -11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.286 15.129 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.529 15.137 -11.312 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.538 12.821 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.810 13.924 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.081 12.332 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.882 10.784 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.685 10.564 -12.236 1.00 0.00 H new ATOM 702 N ARG A 50 -0.552 14.844 -7.345 1.00 0.00 N ATOM 703 CA ARG A 50 0.066 14.474 -6.077 1.00 0.00 C ATOM 704 C ARG A 50 -0.976 13.938 -5.100 1.00 0.00 C ATOM 705 O ARG A 50 -2.077 14.478 -4.993 1.00 0.00 O ATOM 706 CB ARG A 50 0.783 15.679 -5.465 1.00 0.00 C ATOM 707 CG ARG A 50 2.128 15.977 -6.108 1.00 0.00 C ATOM 708 CD ARG A 50 3.248 15.186 -5.449 1.00 0.00 C ATOM 709 NE ARG A 50 4.475 15.971 -5.329 1.00 0.00 N ATOM 710 CZ ARG A 50 4.679 16.890 -4.389 1.00 0.00 C ATOM 711 NH1 ARG A 50 3.740 17.146 -3.486 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.824 17.557 -4.352 1.00 0.00 N ATOM 0 H ARG A 50 -1.025 15.748 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 50 0.794 13.687 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.143 16.557 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.930 15.501 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.086 15.735 -7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.341 17.043 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.928 14.860 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.448 14.287 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 50 5.219 15.804 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.856 16.637 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.902 17.852 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.548 17.366 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.981 18.262 -3.631 1.00 0.00 H new ATOM 726 N GLY A 51 -0.621 12.872 -4.391 1.00 0.00 N ATOM 727 CA GLY A 51 -1.536 12.281 -3.431 1.00 0.00 C ATOM 728 C GLY A 51 -0.824 11.746 -2.205 1.00 0.00 C ATOM 729 O GLY A 51 0.161 12.326 -1.749 1.00 0.00 O ATOM 0 H GLY A 51 0.284 12.406 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.269 13.028 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.087 11.471 -3.910 1.00 0.00 H new ATOM 733 N THR A 52 -1.324 10.637 -1.669 1.00 0.00 N ATOM 734 CA THR A 52 -0.730 10.024 -0.488 1.00 0.00 C ATOM 735 C THR A 52 -1.040 8.531 -0.436 1.00 0.00 C ATOM 736 O THR A 52 -2.184 8.118 -0.626 1.00 0.00 O ATOM 737 CB THR A 52 -1.244 10.708 0.780 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.398 12.100 0.571 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.330 10.521 1.972 1.00 0.00 C ATOM 0 H THR A 52 -2.139 10.145 -2.035 1.00 0.00 H new ATOM 0 HA THR A 52 0.351 10.150 -0.548 1.00 0.00 H new ATOM 0 HB THR A 52 -2.201 10.233 0.998 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.729 12.520 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.753 11.031 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.229 9.458 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.651 10.940 1.748 1.00 0.00 H new ATOM 747 N VAL A 53 -0.014 7.727 -0.179 1.00 0.00 N ATOM 748 CA VAL A 53 -0.178 6.281 -0.104 1.00 0.00 C ATOM 749 C VAL A 53 -1.066 5.889 1.073 1.00 0.00 C ATOM 750 O VAL A 53 -0.860 6.345 2.198 1.00 0.00 O ATOM 751 CB VAL A 53 1.181 5.566 0.033 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.003 4.057 -0.047 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.152 6.052 -1.034 1.00 0.00 C ATOM 0 H VAL A 53 0.939 8.053 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.652 5.969 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 53 1.599 5.808 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.973 3.570 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.347 3.725 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.561 3.793 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.105 5.536 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.741 5.843 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.306 7.126 -0.924 1.00 0.00 H new ATOM 763 N MET A 54 -2.055 5.043 0.805 1.00 0.00 N ATOM 764 CA MET A 54 -2.977 4.591 1.841 1.00 0.00 C ATOM 765 C MET A 54 -2.908 3.076 2.009 1.00 0.00 C ATOM 766 O MET A 54 -2.951 2.564 3.127 1.00 0.00 O ATOM 767 CB MET A 54 -4.408 5.010 1.498 1.00 0.00 C ATOM 768 CG MET A 54 -4.605 6.517 1.448 1.00 0.00 C ATOM 769 SD MET A 54 -6.287 6.982 0.995 1.00 0.00 S ATOM 770 CE MET A 54 -6.372 6.356 -0.681 1.00 0.00 C ATOM 0 H MET A 54 -2.239 4.656 -0.121 1.00 0.00 H new ATOM 0 HA MET A 54 -2.683 5.058 2.781 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.681 4.584 0.533 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.089 4.587 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.364 6.944 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.907 6.947 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.362 6.552 -1.093 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.619 6.852 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.187 5.282 -0.678 1.00 0.00 H new ATOM 780 N TYR A 55 -2.801 2.366 0.892 1.00 0.00 N ATOM 781 CA TYR A 55 -2.727 0.909 0.914 1.00 0.00 C ATOM 782 C TYR A 55 -1.756 0.398 -0.144 1.00 0.00 C ATOM 783 O TYR A 55 -1.793 0.832 -1.296 1.00 0.00 O ATOM 784 CB TYR A 55 -4.113 0.305 0.689 1.00 0.00 C ATOM 785 CG TYR A 55 -4.190 -1.173 1.001 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.599 -2.111 0.163 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.853 -1.630 2.132 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.667 -3.462 0.445 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.924 -2.980 2.421 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.331 -3.891 1.574 1.00 0.00 C ATOM 791 OH TYR A 55 -4.401 -5.236 1.858 1.00 0.00 O ATOM 0 H TYR A 55 -2.763 2.776 -0.041 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.360 0.602 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.836 0.836 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.405 0.464 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.078 -1.779 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.321 -0.919 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.202 -4.178 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.442 -3.319 3.306 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.903 -5.369 2.689 1.00 0.00 H new ATOM 801 N VAL A 56 -0.888 -0.526 0.252 1.00 0.00 N ATOM 802 CA VAL A 56 0.093 -1.096 -0.664 1.00 0.00 C ATOM 803 C VAL A 56 0.086 -2.619 -0.598 1.00 0.00 C ATOM 804 O VAL A 56 0.317 -3.206 0.460 1.00 0.00 O ATOM 805 CB VAL A 56 1.513 -0.585 -0.354 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.495 -1.054 -1.417 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.522 0.934 -0.239 1.00 0.00 C ATOM 0 H VAL A 56 -0.844 -0.896 1.201 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.188 -0.778 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 56 1.827 -1.000 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.492 -0.683 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.510 -2.144 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.187 -0.672 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.533 1.276 -0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.186 1.372 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.853 1.242 0.564 1.00 0.00 H new ATOM 817 N GLY A 57 -0.180 -3.254 -1.735 1.00 0.00 N ATOM 818 CA GLY A 57 -0.212 -4.703 -1.786 1.00 0.00 C ATOM 819 C GLY A 57 -0.941 -5.226 -3.008 1.00 0.00 C ATOM 820 O GLY A 57 -1.159 -4.489 -3.971 1.00 0.00 O ATOM 0 H GLY A 57 -0.374 -2.790 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.809 -5.086 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.697 -5.084 -0.887 1.00 0.00 H new ATOM 824 N LEU A 58 -1.319 -6.499 -2.972 1.00 0.00 N ATOM 825 CA LEU A 58 -2.028 -7.118 -4.085 1.00 0.00 C ATOM 826 C LEU A 58 -3.537 -6.977 -3.916 1.00 0.00 C ATOM 827 O LEU A 58 -4.052 -7.015 -2.799 1.00 0.00 O ATOM 828 CB LEU A 58 -1.651 -8.597 -4.198 1.00 0.00 C ATOM 829 CG LEU A 58 -0.172 -8.869 -4.472 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.254 -10.188 -3.844 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.099 -8.877 -5.969 1.00 0.00 C ATOM 0 H LEU A 58 -1.146 -7.122 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.734 -6.604 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.932 -9.099 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.241 -9.047 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 58 0.415 -8.069 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.310 -10.365 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.096 -10.146 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.339 -11.000 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.157 -9.072 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.498 -9.656 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.167 -7.908 -6.392 1.00 0.00 H new ATOM 843 N THR A 59 -4.240 -6.815 -5.032 1.00 0.00 N ATOM 844 CA THR A 59 -5.691 -6.669 -5.007 1.00 0.00 C ATOM 845 C THR A 59 -6.370 -7.875 -5.645 1.00 0.00 C ATOM 846 O THR A 59 -5.719 -8.867 -5.972 1.00 0.00 O ATOM 847 CB THR A 59 -6.107 -5.390 -5.734 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.854 -5.498 -7.123 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.392 -4.155 -5.232 1.00 0.00 C ATOM 0 H THR A 59 -3.829 -6.781 -5.965 1.00 0.00 H new ATOM 0 HA THR A 59 -6.008 -6.606 -3.966 1.00 0.00 H new ATOM 0 HB THR A 59 -7.173 -5.279 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.130 -4.887 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.734 -3.284 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.608 -4.015 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.317 -4.275 -5.370 1.00 0.00 H new ATOM 857 N ASP A 60 -7.685 -7.784 -5.821 1.00 0.00 N ATOM 858 CA ASP A 60 -8.453 -8.869 -6.420 1.00 0.00 C ATOM 859 C ASP A 60 -9.071 -8.433 -7.746 1.00 0.00 C ATOM 860 O ASP A 60 -9.141 -9.214 -8.695 1.00 0.00 O ATOM 861 CB ASP A 60 -9.552 -9.335 -5.462 1.00 0.00 C ATOM 862 CG ASP A 60 -9.943 -10.781 -5.690 1.00 0.00 C ATOM 863 OD1 ASP A 60 -9.122 -11.672 -5.389 1.00 0.00 O ATOM 864 OD2 ASP A 60 -11.071 -11.022 -6.169 1.00 0.00 O ATOM 0 H ASP A 60 -8.240 -6.970 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.772 -9.698 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.210 -9.212 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.430 -8.701 -5.584 1.00 0.00 H new ATOM 869 N PHE A 61 -9.518 -7.183 -7.803 1.00 0.00 N ATOM 870 CA PHE A 61 -10.130 -6.645 -9.012 1.00 0.00 C ATOM 871 C PHE A 61 -9.160 -6.703 -10.188 1.00 0.00 C ATOM 872 O PHE A 61 -9.573 -6.829 -11.340 1.00 0.00 O ATOM 873 CB PHE A 61 -10.589 -5.204 -8.782 1.00 0.00 C ATOM 874 CG PHE A 61 -9.476 -4.272 -8.397 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.143 -4.083 -7.066 1.00 0.00 C ATOM 876 CD2 PHE A 61 -8.764 -3.583 -9.366 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.119 -3.225 -6.708 1.00 0.00 C ATOM 878 CE2 PHE A 61 -7.740 -2.724 -9.015 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.417 -2.545 -7.684 1.00 0.00 C ATOM 0 H PHE A 61 -9.468 -6.524 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.998 -7.259 -9.252 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.064 -4.834 -9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.347 -5.194 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.689 -4.612 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.012 -3.719 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.869 -3.087 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.193 -2.193 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.617 -1.875 -7.407 1.00 0.00 H new ATOM 889 N LYS A 62 -7.868 -6.611 -9.890 1.00 0.00 N ATOM 890 CA LYS A 62 -6.840 -6.655 -10.924 1.00 0.00 C ATOM 891 C LYS A 62 -5.537 -7.234 -10.372 1.00 0.00 C ATOM 892 O LYS A 62 -5.088 -6.849 -9.294 1.00 0.00 O ATOM 893 CB LYS A 62 -6.592 -5.252 -11.486 1.00 0.00 C ATOM 894 CG LYS A 62 -6.486 -5.215 -13.002 1.00 0.00 C ATOM 895 CD LYS A 62 -5.038 -5.273 -13.460 1.00 0.00 C ATOM 896 CE LYS A 62 -4.923 -5.832 -14.869 1.00 0.00 C ATOM 897 NZ LYS A 62 -3.524 -5.778 -15.375 1.00 0.00 N ATOM 0 H LYS A 62 -7.508 -6.506 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.193 -7.303 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.402 -4.595 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.673 -4.854 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.037 -6.054 -13.427 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.952 -4.304 -13.378 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.604 -4.274 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.462 -5.893 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.273 -6.864 -14.880 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.573 -5.268 -15.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.488 -6.168 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.198 -4.791 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.908 -6.337 -14.752 1.00 0.00 H new ATOM 911 N PRO A 63 -4.909 -8.172 -11.107 1.00 0.00 N ATOM 912 CA PRO A 63 -3.653 -8.797 -10.677 1.00 0.00 C ATOM 913 C PRO A 63 -2.571 -7.769 -10.365 1.00 0.00 C ATOM 914 O PRO A 63 -2.837 -6.567 -10.321 1.00 0.00 O ATOM 915 CB PRO A 63 -3.244 -9.651 -11.881 1.00 0.00 C ATOM 916 CG PRO A 63 -4.515 -9.914 -12.611 1.00 0.00 C ATOM 917 CD PRO A 63 -5.369 -8.695 -12.407 1.00 0.00 C ATOM 0 HA PRO A 63 -3.780 -9.368 -9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.527 -9.127 -12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.770 -10.580 -11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.328 -10.086 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.009 -10.806 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.228 -7.967 -13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.430 -8.946 -12.387 1.00 0.00 H new ATOM 925 N GLY A 64 -1.351 -8.249 -10.152 1.00 0.00 N ATOM 926 CA GLY A 64 -0.245 -7.358 -9.849 1.00 0.00 C ATOM 927 C GLY A 64 -0.484 -6.542 -8.594 1.00 0.00 C ATOM 928 O GLY A 64 -1.612 -6.450 -8.110 1.00 0.00 O ATOM 0 H GLY A 64 -1.107 -9.239 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.667 -7.943 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.084 -6.685 -10.691 1.00 0.00 H new ATOM 932 N TYR A 65 0.582 -5.948 -8.067 1.00 0.00 N ATOM 933 CA TYR A 65 0.484 -5.135 -6.859 1.00 0.00 C ATOM 934 C TYR A 65 -0.273 -3.841 -7.137 1.00 0.00 C ATOM 935 O TYR A 65 -0.633 -3.552 -8.279 1.00 0.00 O ATOM 936 CB TYR A 65 1.880 -4.817 -6.320 1.00 0.00 C ATOM 937 CG TYR A 65 2.505 -5.955 -5.545 1.00 0.00 C ATOM 938 CD1 TYR A 65 3.241 -6.940 -6.193 1.00 0.00 C ATOM 939 CD2 TYR A 65 2.358 -6.046 -4.167 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.813 -7.982 -5.489 1.00 0.00 C ATOM 941 CE2 TYR A 65 2.929 -7.084 -3.456 1.00 0.00 C ATOM 942 CZ TYR A 65 3.655 -8.049 -4.121 1.00 0.00 C ATOM 943 OH TYR A 65 4.224 -9.085 -3.417 1.00 0.00 O ATOM 0 H TYR A 65 1.522 -6.014 -8.456 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.066 -5.704 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.531 -4.556 -7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.820 -3.940 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.368 -6.890 -7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.788 -5.293 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.381 -8.740 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.807 -7.139 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 65 4.019 -8.984 -2.464 1.00 0.00 H new ATOM 953 N TRP A 66 -0.512 -3.064 -6.085 1.00 0.00 N ATOM 954 CA TRP A 66 -1.227 -1.799 -6.215 1.00 0.00 C ATOM 955 C TRP A 66 -0.889 -0.863 -5.061 1.00 0.00 C ATOM 956 O TRP A 66 -0.558 -1.308 -3.962 1.00 0.00 O ATOM 957 CB TRP A 66 -2.736 -2.045 -6.263 1.00 0.00 C ATOM 958 CG TRP A 66 -3.199 -2.638 -7.559 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.339 -3.964 -7.849 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.582 -1.925 -8.741 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.786 -4.121 -9.140 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.943 -2.883 -9.707 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.655 -0.571 -9.075 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.370 -2.528 -10.984 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.079 -0.220 -10.343 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.433 -1.196 -11.284 1.00 0.00 C ATOM 0 H TRP A 66 -0.221 -3.288 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.913 -1.327 -7.146 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.015 -2.711 -5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.256 -1.102 -6.097 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.129 -4.772 -7.164 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.970 -5.012 -9.600 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.385 0.188 -8.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.642 -3.279 -11.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.138 0.824 -10.613 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.762 -0.890 -12.266 1.00 0.00 H new ATOM 977 N VAL A 67 -0.974 0.439 -5.317 1.00 0.00 N ATOM 978 CA VAL A 67 -0.678 1.439 -4.299 1.00 0.00 C ATOM 979 C VAL A 67 -1.766 2.507 -4.246 1.00 0.00 C ATOM 980 O VAL A 67 -1.788 3.426 -5.064 1.00 0.00 O ATOM 981 CB VAL A 67 0.679 2.119 -4.559 1.00 0.00 C ATOM 982 CG1 VAL A 67 1.062 3.012 -3.389 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.757 1.078 -4.817 1.00 0.00 C ATOM 0 H VAL A 67 -1.246 0.825 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.638 0.916 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 67 0.587 2.743 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.024 3.484 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.302 3.781 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.136 2.412 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.709 1.577 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.849 0.426 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.487 0.483 -5.690 1.00 0.00 H new ATOM 993 N GLY A 68 -2.667 2.378 -3.277 1.00 0.00 N ATOM 994 CA GLY A 68 -3.746 3.338 -3.135 1.00 0.00 C ATOM 995 C GLY A 68 -3.241 4.739 -2.850 1.00 0.00 C ATOM 996 O GLY A 68 -2.567 4.972 -1.848 1.00 0.00 O ATOM 0 H GLY A 68 -2.669 1.626 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.342 3.348 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.406 3.022 -2.327 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.570 5.675 -3.736 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.146 7.061 -3.577 1.00 0.00 C ATOM 1002 C VAL A 69 -4.335 8.012 -3.676 1.00 0.00 C ATOM 1003 O VAL A 69 -5.070 8.001 -4.662 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.098 7.455 -4.636 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.553 8.848 -4.359 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -0.971 6.434 -4.679 1.00 0.00 C ATOM 0 H VAL A 69 -4.129 5.498 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.698 7.143 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.584 7.468 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.815 9.107 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.369 9.570 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.084 8.866 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.241 6.729 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.487 6.386 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.377 5.454 -4.931 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.517 8.832 -2.647 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.617 9.790 -2.618 1.00 0.00 C ATOM 1018 C ARG A 70 -5.133 11.184 -3.002 1.00 0.00 C ATOM 1019 O ARG A 70 -4.066 11.622 -2.572 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.255 9.823 -1.228 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.434 10.779 -1.124 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.220 11.813 -0.029 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.191 12.785 -0.388 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.571 13.568 0.491 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -5.871 13.497 1.782 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -4.646 14.426 0.079 1.00 0.00 N ATOM 0 H ARG A 70 -3.918 8.853 -1.822 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.364 9.471 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.588 8.819 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.499 10.110 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.579 11.284 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.344 10.215 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.158 12.333 0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.936 11.309 0.895 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.932 12.869 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.581 12.839 2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.392 14.100 2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.410 14.485 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.171 15.026 0.753 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.925 11.876 -3.815 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.576 13.221 -4.258 1.00 0.00 C ATOM 1042 C TYR A 71 -6.293 14.274 -3.417 1.00 0.00 C ATOM 1043 O TYR A 71 -7.379 14.029 -2.893 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.932 13.403 -5.734 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.501 12.246 -6.607 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.158 12.018 -6.881 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.438 11.382 -7.160 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.762 10.962 -7.679 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.050 10.323 -7.959 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.711 10.118 -8.215 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.320 9.064 -9.009 1.00 0.00 O ATOM 0 H TYR A 71 -6.812 11.528 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.501 13.350 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.010 13.535 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.467 14.318 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.411 12.677 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.488 11.541 -6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.714 10.799 -7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.791 9.660 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.943 8.972 -9.760 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.675 15.444 -3.292 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.254 16.533 -2.514 1.00 0.00 C ATOM 1063 C ASP A 72 -7.444 17.149 -3.245 1.00 0.00 C ATOM 1064 O ASP A 72 -8.447 17.505 -2.626 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.196 17.604 -2.235 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.043 17.892 -0.754 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.990 17.606 0.008 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -3.974 18.402 -0.357 1.00 0.00 O ATOM 0 H ASP A 72 -4.775 15.662 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.606 16.126 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.238 17.279 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.467 18.523 -2.755 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.325 17.271 -4.562 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.391 17.843 -5.376 1.00 0.00 C ATOM 1075 C GLU A 73 -9.367 16.762 -5.833 1.00 0.00 C ATOM 1076 O GLU A 73 -8.997 15.596 -5.967 1.00 0.00 O ATOM 1077 CB GLU A 73 -7.803 18.562 -6.592 1.00 0.00 C ATOM 1078 CG GLU A 73 -7.339 19.979 -6.295 1.00 0.00 C ATOM 1079 CD GLU A 73 -5.828 20.104 -6.255 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -5.238 19.833 -5.188 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -5.236 20.471 -7.291 1.00 0.00 O ATOM 0 H GLU A 73 -6.501 16.982 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.934 18.563 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.960 17.985 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.552 18.592 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.735 20.653 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.751 20.299 -5.338 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.634 17.138 -6.081 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.665 16.194 -6.526 1.00 0.00 C ATOM 1090 C PRO A 74 -11.431 15.713 -7.954 1.00 0.00 C ATOM 1091 O PRO A 74 -12.060 16.198 -8.894 1.00 0.00 O ATOM 1092 CB PRO A 74 -12.955 17.012 -6.441 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.516 18.427 -6.591 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.160 18.510 -5.948 1.00 0.00 C ATOM 0 HA PRO A 74 -11.679 15.288 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.656 16.729 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.462 16.854 -5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.467 18.711 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.219 19.107 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.521 19.236 -6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.228 18.815 -4.904 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.521 14.757 -8.109 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.204 14.209 -9.423 1.00 0.00 C ATOM 1104 C LEU A 75 -9.861 12.726 -9.328 1.00 0.00 C ATOM 1105 O LEU A 75 -9.056 12.213 -10.106 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.038 14.976 -10.050 1.00 0.00 C ATOM 1107 CG LEU A 75 -9.315 16.450 -10.346 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.013 17.224 -10.472 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -10.146 16.591 -11.612 1.00 0.00 C ATOM 0 H LEU A 75 -9.990 14.346 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.085 14.318 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.179 14.911 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.756 14.482 -10.980 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.882 16.868 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.231 18.271 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.454 17.150 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.419 16.806 -11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.334 17.647 -11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.605 16.157 -12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.095 16.071 -11.484 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.475 12.043 -8.367 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.221 10.626 -8.187 1.00 0.00 C ATOM 1123 C GLY A 76 -11.095 9.761 -9.074 1.00 0.00 C ATOM 1124 O GLY A 76 -11.731 10.259 -10.004 1.00 0.00 O ATOM 0 H GLY A 76 -11.144 12.446 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.173 10.418 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.391 10.359 -7.144 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.128 8.464 -8.787 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.931 7.529 -9.565 1.00 0.00 C ATOM 1130 C LYS A 77 -12.600 6.501 -8.658 1.00 0.00 C ATOM 1131 O LYS A 77 -13.797 6.238 -8.778 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.062 6.821 -10.605 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.547 7.744 -11.698 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.359 7.606 -12.975 1.00 0.00 C ATOM 1135 CE LYS A 77 -12.578 8.513 -12.960 1.00 0.00 C ATOM 1136 NZ LYS A 77 -13.297 8.500 -14.264 1.00 0.00 N ATOM 0 H LYS A 77 -10.608 8.037 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.709 8.095 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.213 6.358 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.639 6.017 -11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.586 8.777 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.501 7.516 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.733 7.850 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.676 6.570 -13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.257 8.196 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.269 9.532 -12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.122 9.131 -14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.658 8.827 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.614 7.533 -14.476 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.819 5.922 -7.753 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.334 4.922 -6.826 1.00 0.00 C ATOM 1152 C ASN A 78 -12.758 5.566 -5.510 1.00 0.00 C ATOM 1153 O ASN A 78 -12.526 6.755 -5.287 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.278 3.846 -6.562 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.001 2.998 -7.789 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.485 1.872 -7.902 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.216 3.535 -8.715 1.00 0.00 N ATOM 0 H ASN A 78 -10.826 6.128 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.209 4.459 -7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.353 4.321 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.613 3.204 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.993 3.011 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.836 4.472 -8.581 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.382 4.775 -4.643 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.838 5.269 -3.348 1.00 0.00 C ATOM 1166 C ASP A 79 -13.024 4.655 -2.214 1.00 0.00 C ATOM 1167 O ASP A 79 -12.700 5.327 -1.235 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.323 4.956 -3.155 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.635 3.487 -3.359 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.903 3.091 -4.513 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.611 2.731 -2.365 1.00 0.00 O ATOM 0 H ASP A 79 -13.584 3.790 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.696 6.350 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.627 5.253 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.911 5.550 -3.855 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.699 3.373 -2.352 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.926 2.691 -1.332 1.00 0.00 C ATOM 1178 C GLY A 80 -12.220 1.204 -1.279 1.00 0.00 C ATOM 1179 O GLY A 80 -11.320 0.394 -1.057 1.00 0.00 O ATOM 0 H GLY A 80 -12.957 2.795 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.864 2.842 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.140 3.136 -0.360 1.00 0.00 H new ATOM 1183 N SER A 81 -13.482 0.845 -1.485 1.00 0.00 N ATOM 1184 CA SER A 81 -13.892 -0.555 -1.460 1.00 0.00 C ATOM 1185 C SER A 81 -14.188 -1.061 -2.868 1.00 0.00 C ATOM 1186 O SER A 81 -15.075 -0.548 -3.550 1.00 0.00 O ATOM 1187 CB SER A 81 -15.125 -0.731 -0.570 1.00 0.00 C ATOM 1188 OG SER A 81 -14.911 -1.735 0.407 1.00 0.00 O ATOM 0 H SER A 81 -14.239 1.503 -1.671 1.00 0.00 H new ATOM 0 HA SER A 81 -13.070 -1.142 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.361 0.213 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.986 -0.995 -1.184 1.00 0.00 H new ATOM 0 HG SER A 81 -15.713 -1.826 0.963 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.438 -2.070 -3.299 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.620 -2.646 -4.626 1.00 0.00 C ATOM 1196 C VAL A 82 -13.732 -4.165 -4.554 1.00 0.00 C ATOM 1197 O VAL A 82 -12.913 -4.829 -3.918 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.457 -2.272 -5.565 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.759 -2.711 -6.990 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.183 -0.778 -5.506 1.00 0.00 C ATOM 0 H VAL A 82 -12.698 -2.506 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.547 -2.234 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.561 -2.795 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.927 -2.439 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.900 -3.791 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.667 -2.218 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.359 -0.533 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.075 -0.232 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.919 -0.497 -4.487 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.752 -4.709 -5.210 1.00 0.00 N ATOM 1211 CA ASN A 83 -14.971 -6.150 -5.219 1.00 0.00 C ATOM 1212 C ASN A 83 -15.197 -6.675 -3.805 1.00 0.00 C ATOM 1213 O ASN A 83 -14.799 -7.791 -3.474 1.00 0.00 O ATOM 1214 CB ASN A 83 -13.779 -6.866 -5.858 1.00 0.00 C ATOM 1215 CG ASN A 83 -13.939 -7.031 -7.356 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -13.615 -8.079 -7.915 1.00 0.00 O ATOM 1217 ND2 ASN A 83 -14.442 -5.993 -8.016 1.00 0.00 N ATOM 0 H ASN A 83 -15.439 -4.174 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.865 -6.352 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.868 -6.304 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.659 -7.847 -5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.573 -6.046 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.697 -5.143 -7.512 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.839 -5.859 -2.974 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.107 -6.256 -1.605 1.00 0.00 C ATOM 1226 C GLY A 84 -14.850 -6.311 -0.759 1.00 0.00 C ATOM 1227 O GLY A 84 -14.762 -7.097 0.185 1.00 0.00 O ATOM 0 H GLY A 84 -16.178 -4.930 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.811 -5.554 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.587 -7.235 -1.601 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.876 -5.473 -1.097 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.617 -5.429 -0.362 1.00 0.00 C ATOM 1233 C LYS A 85 -12.186 -3.989 -0.108 1.00 0.00 C ATOM 1234 O LYS A 85 -11.785 -3.278 -1.030 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.524 -6.173 -1.132 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.212 -6.281 -0.375 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.308 -7.346 -0.976 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.408 -7.972 0.077 1.00 0.00 C ATOM 1239 NZ LYS A 85 -9.161 -8.886 0.979 1.00 0.00 N ATOM 0 H LYS A 85 -13.934 -4.815 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.770 -5.919 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.879 -7.175 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.347 -5.662 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.702 -5.318 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.412 -6.519 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.917 -8.120 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.696 -6.904 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.606 -8.525 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.938 -7.185 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.492 -9.480 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.730 -8.325 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.789 -9.492 0.413 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.272 -3.563 1.148 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.890 -2.207 1.522 1.00 0.00 C ATOM 1255 C ARG A 86 -10.377 -2.091 1.676 1.00 0.00 C ATOM 1256 O ARG A 86 -9.721 -3.004 2.176 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.581 -1.804 2.827 1.00 0.00 C ATOM 1258 CG ARG A 86 -13.077 -0.366 2.833 1.00 0.00 C ATOM 1259 CD ARG A 86 -13.084 0.218 4.237 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.441 0.388 4.752 1.00 0.00 N ATOM 1261 CZ ARG A 86 -15.255 1.374 4.384 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.855 2.280 3.500 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -16.473 1.455 4.901 1.00 0.00 N ATOM 0 H ARG A 86 -12.603 -4.137 1.923 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.208 -1.533 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.425 -2.471 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.886 -1.943 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.441 0.241 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.084 -0.326 2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.522 -0.435 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.575 1.182 4.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.784 -0.289 5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.919 2.223 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.484 3.034 3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.786 0.762 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.097 2.211 4.619 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.830 -0.960 1.243 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.393 -0.722 1.331 1.00 0.00 C ATOM 1279 C TYR A 87 -8.091 0.461 2.245 1.00 0.00 C ATOM 1280 O TYR A 87 -7.206 0.391 3.096 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.810 -0.468 -0.060 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.934 -1.651 -0.995 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.171 -2.051 -1.480 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.811 -2.367 -1.391 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.288 -3.131 -2.334 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.919 -3.448 -2.245 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.160 -3.826 -2.714 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.271 -4.902 -3.564 1.00 0.00 O ATOM 0 H TYR A 87 -10.360 -0.194 0.828 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.929 -1.613 1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.314 0.390 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.757 -0.203 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -10.057 -1.509 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.838 -2.074 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.259 -3.429 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.036 -3.994 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.795 -4.644 -4.351 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.833 1.548 2.061 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.645 2.747 2.869 1.00 0.00 C ATOM 1300 C PHE A 88 -9.986 3.384 3.218 1.00 0.00 C ATOM 1301 O PHE A 88 -11.034 2.956 2.732 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.768 3.756 2.123 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.221 4.023 0.717 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.256 4.909 0.465 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.612 3.386 -0.353 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.675 5.157 -0.829 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.027 3.630 -1.649 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.060 4.516 -1.887 1.00 0.00 C ATOM 0 H PHE A 88 -9.570 1.623 1.360 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.149 2.457 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.758 4.695 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.743 3.387 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.741 5.412 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.805 2.692 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.482 5.851 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.544 3.128 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.386 4.707 -2.899 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.947 4.407 4.066 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.159 5.103 4.482 1.00 0.00 C ATOM 1320 C GLU A 89 -11.197 6.516 3.913 1.00 0.00 C ATOM 1321 O GLU A 89 -10.727 7.464 4.544 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.245 5.152 6.009 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.476 3.792 6.649 1.00 0.00 C ATOM 1324 CD GLU A 89 -10.552 3.535 7.823 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.506 4.382 8.740 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -9.874 2.486 7.826 1.00 0.00 O ATOM 0 H GLU A 89 -9.089 4.772 4.479 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.016 4.552 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.322 5.578 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.054 5.823 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.511 3.724 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.331 3.013 5.900 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.760 6.652 2.716 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.859 7.953 2.061 1.00 0.00 C ATOM 1335 C CYS A 90 -13.141 8.052 1.241 1.00 0.00 C ATOM 1336 O CYS A 90 -13.855 7.065 1.065 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.644 8.188 1.162 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.037 9.891 1.173 1.00 0.00 S ATOM 0 H CYS A 90 -12.154 5.879 2.180 1.00 0.00 H new ATOM 0 HA CYS A 90 -11.884 8.721 2.834 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.839 7.524 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.903 7.912 0.140 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.737 9.888 1.172 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.426 9.250 0.741 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.621 9.480 -0.061 1.00 0.00 C ATOM 1346 C GLN A 91 -14.368 9.137 -1.525 1.00 0.00 C ATOM 1347 O GLN A 91 -13.242 8.826 -1.916 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.072 10.935 0.063 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.092 11.164 1.167 1.00 0.00 C ATOM 1350 CD GLN A 91 -16.363 12.635 1.416 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -15.443 13.414 1.664 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.631 13.023 1.350 1.00 0.00 N ATOM 0 H GLN A 91 -12.845 10.077 0.878 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.411 8.829 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.200 11.562 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.499 11.257 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.025 10.666 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.734 10.703 2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.362 12.343 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.874 14.001 1.508 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.423 9.195 -2.333 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.315 8.891 -3.755 1.00 0.00 C ATOM 1363 C ALA A 92 -14.736 10.072 -4.526 1.00 0.00 C ATOM 1364 O ALA A 92 -14.717 11.199 -4.032 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.676 8.508 -4.316 1.00 0.00 C ATOM 0 H ALA A 92 -16.362 9.450 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.635 8.047 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.582 8.283 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.052 7.629 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.372 9.336 -4.181 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.265 9.805 -5.739 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.685 10.847 -6.580 1.00 0.00 C ATOM 1373 C LYS A 93 -12.476 11.482 -5.903 1.00 0.00 C ATOM 1374 O LYS A 93 -12.189 12.663 -6.103 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.730 11.919 -6.895 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.671 11.538 -8.026 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.734 10.557 -7.559 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.592 11.147 -6.451 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.032 10.809 -6.623 1.00 0.00 N ATOM 0 H LYS A 93 -14.273 8.877 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.356 10.386 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.316 12.118 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.220 12.847 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.150 12.434 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.100 11.096 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.367 10.278 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.256 9.644 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.245 10.776 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.473 12.230 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.582 11.230 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.371 11.185 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.150 9.776 -6.610 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.770 10.691 -5.100 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.590 11.178 -4.393 1.00 0.00 C ATOM 1395 C TYR A 94 -9.497 10.116 -4.368 1.00 0.00 C ATOM 1396 O TYR A 94 -8.360 10.372 -4.768 1.00 0.00 O ATOM 1397 CB TYR A 94 -10.957 11.581 -2.964 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.712 12.889 -2.877 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.202 14.046 -3.452 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -12.935 12.965 -2.221 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.889 15.243 -3.375 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.628 14.158 -2.140 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.100 15.294 -2.718 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.788 16.484 -2.640 1.00 0.00 O ATOM 0 H TYR A 94 -11.994 9.712 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.212 12.052 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.562 10.792 -2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.045 11.658 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.254 14.010 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.350 12.077 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.479 16.134 -3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.577 14.201 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.623 16.347 -2.145 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.846 8.923 -3.898 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.883 7.841 -3.830 1.00 0.00 C ATOM 1416 C GLY A 95 -8.773 7.078 -5.135 1.00 0.00 C ATOM 1417 O GLY A 95 -9.776 6.612 -5.676 1.00 0.00 O ATOM 0 H GLY A 95 -10.780 8.687 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.906 8.245 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.170 7.154 -3.034 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.551 6.950 -5.643 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.314 6.239 -6.893 1.00 0.00 C ATOM 1423 C ALA A 96 -6.332 5.089 -6.692 1.00 0.00 C ATOM 1424 O ALA A 96 -5.514 5.111 -5.772 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.797 7.197 -7.955 1.00 0.00 C ATOM 0 H ALA A 96 -6.710 7.330 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.262 5.819 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.624 6.652 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.534 7.982 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.862 7.644 -7.617 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.420 4.084 -7.559 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.539 2.925 -7.475 1.00 0.00 C ATOM 1433 C PHE A 97 -4.538 2.919 -8.625 1.00 0.00 C ATOM 1434 O PHE A 97 -4.912 2.764 -9.788 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.358 1.634 -7.491 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.091 1.372 -6.205 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.404 1.304 -5.004 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.465 1.194 -6.200 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.075 1.064 -3.819 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.141 0.954 -5.019 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.445 0.889 -3.827 1.00 0.00 C ATOM 0 H PHE A 97 -7.091 4.049 -8.326 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.988 2.986 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.079 1.681 -8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.694 0.795 -7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.333 1.440 -4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.014 1.243 -7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.529 1.013 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.212 0.817 -5.028 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.972 0.702 -2.903 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.262 3.089 -8.293 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.205 3.103 -9.299 1.00 0.00 C ATOM 1453 C VAL A 98 -1.151 2.043 -9.003 1.00 0.00 C ATOM 1454 O VAL A 98 -1.249 1.315 -8.015 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.523 4.482 -9.379 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.414 5.480 -10.103 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.167 4.983 -7.987 1.00 0.00 C ATOM 0 H VAL A 98 -2.935 3.219 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.677 2.884 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.600 4.377 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.914 6.448 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.611 5.125 -11.115 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.356 5.584 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.686 5.958 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.074 5.071 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.485 4.279 -7.510 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.143 1.960 -9.865 1.00 0.00 N ATOM 1468 CA LYS A 99 0.929 0.987 -9.696 1.00 0.00 C ATOM 1469 C LYS A 99 2.195 1.654 -9.158 1.00 0.00 C ATOM 1470 O LYS A 99 2.455 2.823 -9.436 1.00 0.00 O ATOM 1471 CB LYS A 99 1.232 0.295 -11.026 1.00 0.00 C ATOM 1472 CG LYS A 99 0.000 -0.283 -11.704 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.603 -1.418 -10.893 1.00 0.00 C ATOM 1474 CE LYS A 99 0.082 -2.741 -11.191 1.00 0.00 C ATOM 1475 NZ LYS A 99 -0.852 -3.892 -11.059 1.00 0.00 N ATOM 0 H LYS A 99 -0.046 2.555 -10.688 1.00 0.00 H new ATOM 0 HA LYS A 99 0.597 0.243 -8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.705 1.010 -11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.952 -0.506 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.743 0.502 -11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.267 -0.646 -12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.516 -1.193 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.667 -1.500 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.490 -2.719 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.923 -2.876 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.441 -4.728 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.010 -4.097 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.759 -3.657 -11.511 1.00 0.00 H new ATOM 1489 N PRO A 100 2.999 0.909 -8.375 1.00 0.00 N ATOM 1490 CA PRO A 100 4.242 1.432 -7.801 1.00 0.00 C ATOM 1491 C PRO A 100 5.056 2.183 -8.841 1.00 0.00 C ATOM 1492 O PRO A 100 5.421 3.343 -8.645 1.00 0.00 O ATOM 1493 CB PRO A 100 4.973 0.170 -7.348 1.00 0.00 C ATOM 1494 CG PRO A 100 3.886 -0.800 -7.035 1.00 0.00 C ATOM 1495 CD PRO A 100 2.763 -0.497 -7.992 1.00 0.00 C ATOM 0 HA PRO A 100 4.070 2.145 -6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.631 -0.210 -8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.595 0.364 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.234 -1.826 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.556 -0.694 -6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.786 -1.157 -8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.789 -0.625 -7.520 1.00 0.00 H new ATOM 1503 N SER A 101 5.315 1.519 -9.963 1.00 0.00 N ATOM 1504 CA SER A 101 6.061 2.128 -11.052 1.00 0.00 C ATOM 1505 C SER A 101 5.373 3.416 -11.489 1.00 0.00 C ATOM 1506 O SER A 101 6.004 4.314 -12.045 1.00 0.00 O ATOM 1507 CB SER A 101 6.171 1.163 -12.233 1.00 0.00 C ATOM 1508 OG SER A 101 6.641 1.827 -13.394 1.00 0.00 O ATOM 0 H SER A 101 5.018 0.559 -10.139 1.00 0.00 H new ATOM 0 HA SER A 101 7.067 2.359 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.848 0.347 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.197 0.718 -12.435 1.00 0.00 H new ATOM 0 HG SER A 101 6.704 1.187 -14.134 1.00 0.00 H new ATOM 1514 N ALA A 102 4.071 3.504 -11.212 1.00 0.00 N ATOM 1515 CA ALA A 102 3.298 4.686 -11.555 1.00 0.00 C ATOM 1516 C ALA A 102 3.274 5.672 -10.389 1.00 0.00 C ATOM 1517 O ALA A 102 2.873 6.826 -10.548 1.00 0.00 O ATOM 1518 CB ALA A 102 1.881 4.297 -11.949 1.00 0.00 C ATOM 0 H ALA A 102 3.535 2.768 -10.751 1.00 0.00 H new ATOM 0 HA ALA A 102 3.775 5.172 -12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.315 5.193 -12.203 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.913 3.631 -12.812 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.398 3.787 -11.115 1.00 0.00 H new ATOM 1524 N VAL A 103 3.707 5.211 -9.215 1.00 0.00 N ATOM 1525 CA VAL A 103 3.733 6.056 -8.027 1.00 0.00 C ATOM 1526 C VAL A 103 5.159 6.465 -7.676 1.00 0.00 C ATOM 1527 O VAL A 103 5.928 5.671 -7.132 1.00 0.00 O ATOM 1528 CB VAL A 103 3.104 5.343 -6.816 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.942 6.309 -5.652 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.767 4.723 -7.196 1.00 0.00 C ATOM 0 H VAL A 103 4.043 4.260 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 103 3.148 6.946 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 103 3.773 4.542 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.496 5.787 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.918 6.699 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.295 7.134 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.338 4.224 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.088 5.504 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.917 3.997 -7.995 1.00 0.00 H new ATOM 1540 N THR A 104 5.507 7.709 -7.990 1.00 0.00 N ATOM 1541 CA THR A 104 6.842 8.224 -7.707 1.00 0.00 C ATOM 1542 C THR A 104 6.885 8.907 -6.344 1.00 0.00 C ATOM 1543 O THR A 104 6.237 9.933 -6.132 1.00 0.00 O ATOM 1544 CB THR A 104 7.273 9.206 -8.798 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.792 8.793 -10.064 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.775 9.360 -8.904 1.00 0.00 C ATOM 0 H THR A 104 4.883 8.379 -8.440 1.00 0.00 H new ATOM 0 HA THR A 104 7.534 7.382 -7.692 1.00 0.00 H new ATOM 0 HB THR A 104 6.845 10.166 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.077 9.435 -10.747 1.00 0.00 H new ATOM 0 HG21 THR A 104 9.013 10.070 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 104 9.171 9.727 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.224 8.394 -9.135 1.00 0.00 H new ATOM 1554 N VAL A 105 7.653 8.334 -5.424 1.00 0.00 N ATOM 1555 CA VAL A 105 7.780 8.890 -4.082 1.00 0.00 C ATOM 1556 C VAL A 105 8.561 10.199 -4.102 1.00 0.00 C ATOM 1557 O VAL A 105 9.552 10.332 -4.820 1.00 0.00 O ATOM 1558 CB VAL A 105 8.480 7.904 -3.129 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.412 8.406 -1.695 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.863 6.519 -3.246 1.00 0.00 C ATOM 0 H VAL A 105 8.197 7.486 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 105 6.769 9.077 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 105 9.529 7.835 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.912 7.696 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.906 9.375 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.369 8.507 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.371 5.836 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.805 6.569 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.970 6.158 -4.269 1.00 0.00 H new ATOM 1570 N GLY A 106 8.109 11.164 -3.309 1.00 0.00 N ATOM 1571 CA GLY A 106 8.777 12.451 -3.250 1.00 0.00 C ATOM 1572 C GLY A 106 9.594 12.623 -1.985 1.00 0.00 C ATOM 1573 O GLY A 106 10.701 13.161 -2.022 1.00 0.00 O ATOM 0 H GLY A 106 7.291 11.078 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.429 12.559 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.033 13.246 -3.309 1.00 0.00 H new ATOM 1577 N ASP A 107 9.048 12.166 -0.863 1.00 0.00 N ATOM 1578 CA ASP A 107 9.733 12.273 0.420 1.00 0.00 C ATOM 1579 C ASP A 107 9.857 10.907 1.086 1.00 0.00 C ATOM 1580 O ASP A 107 8.861 10.319 1.507 1.00 0.00 O ATOM 1581 CB ASP A 107 8.985 13.238 1.342 1.00 0.00 C ATOM 1582 CG ASP A 107 9.926 14.088 2.172 1.00 0.00 C ATOM 1583 OD1 ASP A 107 10.632 13.523 3.034 1.00 0.00 O ATOM 1584 OD2 ASP A 107 9.956 15.320 1.963 1.00 0.00 O ATOM 0 H ASP A 107 8.133 11.718 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 107 10.736 12.660 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.346 13.887 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.332 12.671 2.005 1.00 0.00 H new ATOM 1589 N SER A 108 11.085 10.409 1.179 1.00 0.00 N ATOM 1590 CA SER A 108 11.339 9.111 1.795 1.00 0.00 C ATOM 1591 C SER A 108 10.988 9.136 3.280 1.00 0.00 C ATOM 1592 O SER A 108 11.106 10.169 3.938 1.00 0.00 O ATOM 1593 CB SER A 108 12.806 8.715 1.612 1.00 0.00 C ATOM 1594 OG SER A 108 13.273 9.064 0.321 1.00 0.00 O ATOM 0 H SER A 108 11.920 10.884 0.836 1.00 0.00 H new ATOM 0 HA SER A 108 10.706 8.372 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.416 9.209 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.917 7.641 1.764 1.00 0.00 H new ATOM 0 HG SER A 108 14.213 8.802 0.231 1.00 0.00 H new ATOM 1600 N GLY A 109 10.558 7.992 3.800 1.00 0.00 N ATOM 1601 CA GLY A 109 10.196 7.904 5.202 1.00 0.00 C ATOM 1602 C GLY A 109 11.393 8.064 6.121 1.00 0.00 C ATOM 1603 O GLY A 109 11.650 9.158 6.622 1.00 0.00 O ATOM 0 H GLY A 109 10.454 7.124 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.459 8.673 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.722 6.941 5.392 1.00 0.00 H new ATOM 1607 N PRO A 110 12.150 6.980 6.363 1.00 0.00 N ATOM 1608 CA PRO A 110 13.329 7.018 7.235 1.00 0.00 C ATOM 1609 C PRO A 110 14.301 8.127 6.844 1.00 0.00 C ATOM 1610 O PRO A 110 14.843 8.131 5.739 1.00 0.00 O ATOM 1611 CB PRO A 110 13.973 5.646 7.026 1.00 0.00 C ATOM 1612 CG PRO A 110 12.852 4.762 6.600 1.00 0.00 C ATOM 1613 CD PRO A 110 11.917 5.633 5.808 1.00 0.00 C ATOM 0 HA PRO A 110 13.062 7.224 8.272 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.755 5.687 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.437 5.283 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.218 3.932 5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.346 4.330 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.139 5.594 4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.879 5.323 5.929 1.00 0.00 H new ATOM 1621 N SER A 111 14.516 9.067 7.758 1.00 0.00 N ATOM 1622 CA SER A 111 15.423 10.182 7.509 1.00 0.00 C ATOM 1623 C SER A 111 16.261 10.488 8.746 1.00 0.00 C ATOM 1624 O SER A 111 16.160 9.801 9.763 1.00 0.00 O ATOM 1625 CB SER A 111 14.633 11.425 7.093 1.00 0.00 C ATOM 1626 OG SER A 111 15.472 12.370 6.450 1.00 0.00 O ATOM 0 H SER A 111 14.075 9.079 8.678 1.00 0.00 H new ATOM 0 HA SER A 111 16.095 9.898 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.823 11.138 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.174 11.879 7.971 1.00 0.00 H new ATOM 0 HG SER A 111 14.944 13.154 6.192 1.00 0.00 H new ATOM 1632 N SER A 112 17.086 11.525 8.652 1.00 0.00 N ATOM 1633 CA SER A 112 17.942 11.923 9.764 1.00 0.00 C ATOM 1634 C SER A 112 18.202 13.426 9.739 1.00 0.00 C ATOM 1635 O SER A 112 19.064 13.905 9.002 1.00 0.00 O ATOM 1636 CB SER A 112 19.269 11.164 9.712 1.00 0.00 C ATOM 1637 OG SER A 112 19.781 11.121 8.391 1.00 0.00 O ATOM 0 H SER A 112 17.180 12.105 7.818 1.00 0.00 H new ATOM 0 HA SER A 112 17.427 11.676 10.692 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.993 11.645 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.126 10.149 10.083 1.00 0.00 H new ATOM 0 HG SER A 112 19.725 12.013 7.989 1.00 0.00 H new ATOM 1643 N GLY A 113 17.450 14.164 10.549 1.00 0.00 N ATOM 1644 CA GLY A 113 17.614 15.605 10.604 1.00 0.00 C ATOM 1645 C GLY A 113 16.288 16.338 10.667 1.00 0.00 C ATOM 1646 O GLY A 113 16.239 17.514 10.249 1.00 0.00 O ATOM 1647 OXT GLY A 113 15.299 15.736 11.134 1.00 0.00 O ATOM 0 H GLY A 113 16.730 13.790 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 113 18.212 15.866 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 113 18.168 15.938 9.727 1.00 0.00 H new TER 1651 GLY A 113