USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 23 SER OG : rot 180:sc=-0.00693 USER MOD Set 2.2: A 24 CYS SG : rot 6:sc= 0.0681 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.13 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 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 170:sc= 0.263 USER MOD Single : A 34 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -159:sc= 0.133 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0109 F(o=-3.5,f=-0.011) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 140:sc= -2.8! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 23:sc= 0.518 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 MET CE :methyl 162:sc= -0.058 (180deg=-0.606) USER MOD Single : A 66 HIS : no HE2:sc= -0.402 X(o=-0.4,f=-0.85) USER MOD Single : A 67 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 70 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-0.63) USER MOD Single : A 74 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-1.2) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0532 (180deg=-0.322) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 1.23 (180deg=-0.2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -34:sc= -0.904 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 30:sc= 0.465 USER MOD Single : A 102 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -94:sc= 1.16 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.283 -14.241 -45.665 1.00 0.00 N ATOM 2 CA GLY A 1 23.449 -15.175 -44.931 1.00 0.00 C ATOM 3 C GLY A 1 22.606 -14.491 -43.873 1.00 0.00 C ATOM 4 O GLY A 1 23.062 -14.277 -42.750 1.00 0.00 O ATOM 0 H1 GLY A 1 24.839 -14.757 -46.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.682 -13.538 -46.140 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.926 -13.758 -45.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.796 -15.700 -45.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.080 -15.927 -44.458 1.00 0.00 H new ATOM 8 N SER A 2 21.374 -14.147 -44.231 1.00 0.00 N ATOM 9 CA SER A 2 20.467 -13.478 -43.306 1.00 0.00 C ATOM 10 C SER A 2 20.149 -14.375 -42.114 1.00 0.00 C ATOM 11 O SER A 2 19.674 -15.499 -42.277 1.00 0.00 O ATOM 12 CB SER A 2 19.173 -13.084 -44.021 1.00 0.00 C ATOM 13 OG SER A 2 18.610 -14.190 -44.703 1.00 0.00 O ATOM 0 H SER A 2 20.980 -14.321 -45.156 1.00 0.00 H new ATOM 0 HA SER A 2 20.960 -12.577 -42.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.457 -12.697 -43.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.375 -12.281 -44.729 1.00 0.00 H new ATOM 0 HG SER A 2 18.762 -15.007 -44.183 1.00 0.00 H new ATOM 19 N SER A 3 20.416 -13.870 -40.912 1.00 0.00 N ATOM 20 CA SER A 3 20.162 -14.626 -39.692 1.00 0.00 C ATOM 21 C SER A 3 18.769 -14.327 -39.148 1.00 0.00 C ATOM 22 O SER A 3 18.030 -15.235 -38.768 1.00 0.00 O ATOM 23 CB SER A 3 21.217 -14.296 -38.634 1.00 0.00 C ATOM 24 OG SER A 3 20.954 -14.980 -37.421 1.00 0.00 O ATOM 0 H SER A 3 20.808 -12.941 -40.759 1.00 0.00 H new ATOM 0 HA SER A 3 20.219 -15.688 -39.933 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.205 -14.571 -39.003 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.232 -13.221 -38.453 1.00 0.00 H new ATOM 0 HG SER A 3 21.643 -14.754 -36.762 1.00 0.00 H new ATOM 30 N GLY A 4 18.415 -13.045 -39.114 1.00 0.00 N ATOM 31 CA GLY A 4 17.111 -12.649 -38.615 1.00 0.00 C ATOM 32 C GLY A 4 16.905 -13.033 -37.163 1.00 0.00 C ATOM 33 O GLY A 4 17.587 -12.519 -36.275 1.00 0.00 O ATOM 0 H GLY A 4 19.008 -12.275 -39.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.997 -11.570 -38.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.336 -13.114 -39.224 1.00 0.00 H new ATOM 37 N SER A 5 15.962 -13.937 -36.920 1.00 0.00 N ATOM 38 CA SER A 5 15.663 -14.384 -35.564 1.00 0.00 C ATOM 39 C SER A 5 15.318 -13.201 -34.665 1.00 0.00 C ATOM 40 O SER A 5 15.796 -13.105 -33.535 1.00 0.00 O ATOM 41 CB SER A 5 16.855 -15.149 -34.983 1.00 0.00 C ATOM 42 OG SER A 5 16.432 -16.092 -34.013 1.00 0.00 O ATOM 0 H SER A 5 15.392 -14.374 -37.644 1.00 0.00 H new ATOM 0 HA SER A 5 14.800 -15.048 -35.609 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.388 -15.661 -35.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.556 -14.447 -34.531 1.00 0.00 H new ATOM 0 HG SER A 5 17.211 -16.568 -33.658 1.00 0.00 H new ATOM 48 N SER A 6 14.482 -12.303 -35.176 1.00 0.00 N ATOM 49 CA SER A 6 14.073 -11.123 -34.421 1.00 0.00 C ATOM 50 C SER A 6 13.035 -11.487 -33.364 1.00 0.00 C ATOM 51 O SER A 6 12.246 -12.412 -33.546 1.00 0.00 O ATOM 52 CB SER A 6 13.507 -10.060 -35.365 1.00 0.00 C ATOM 53 OG SER A 6 14.541 -9.262 -35.915 1.00 0.00 O ATOM 0 H SER A 6 14.075 -12.369 -36.109 1.00 0.00 H new ATOM 0 HA SER A 6 14.952 -10.721 -33.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.950 -10.542 -36.168 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.804 -9.427 -34.824 1.00 0.00 H new ATOM 0 HG SER A 6 14.153 -8.592 -36.516 1.00 0.00 H new ATOM 59 N GLY A 7 13.044 -10.750 -32.257 1.00 0.00 N ATOM 60 CA GLY A 7 12.099 -11.010 -31.186 1.00 0.00 C ATOM 61 C GLY A 7 12.768 -11.567 -29.946 1.00 0.00 C ATOM 62 O GLY A 7 12.655 -12.757 -29.654 1.00 0.00 O ATOM 0 H GLY A 7 13.688 -9.978 -32.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.580 -10.086 -30.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.344 -11.714 -31.535 1.00 0.00 H new ATOM 66 N GLU A 8 13.470 -10.705 -29.216 1.00 0.00 N ATOM 67 CA GLU A 8 14.161 -11.121 -28.001 1.00 0.00 C ATOM 68 C GLU A 8 13.173 -11.657 -26.968 1.00 0.00 C ATOM 69 O GLU A 8 11.964 -11.674 -27.199 1.00 0.00 O ATOM 70 CB GLU A 8 14.949 -9.949 -27.410 1.00 0.00 C ATOM 71 CG GLU A 8 16.312 -9.749 -28.049 1.00 0.00 C ATOM 72 CD GLU A 8 16.988 -8.470 -27.594 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.271 -7.540 -27.169 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.232 -8.399 -27.662 1.00 0.00 O ATOM 0 H GLU A 8 13.575 -9.716 -29.444 1.00 0.00 H new ATOM 0 HA GLU A 8 14.854 -11.921 -28.263 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.366 -9.035 -27.525 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.079 -10.112 -26.340 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.951 -10.599 -27.807 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.202 -9.731 -29.133 1.00 0.00 H new ATOM 81 N VAL A 9 13.698 -12.094 -25.827 1.00 0.00 N ATOM 82 CA VAL A 9 12.864 -12.630 -24.758 1.00 0.00 C ATOM 83 C VAL A 9 11.530 -11.896 -24.683 1.00 0.00 C ATOM 84 O VAL A 9 10.500 -12.490 -24.359 1.00 0.00 O ATOM 85 CB VAL A 9 13.570 -12.532 -23.393 1.00 0.00 C ATOM 86 CG1 VAL A 9 14.545 -13.686 -23.212 1.00 0.00 C ATOM 87 CG2 VAL A 9 14.283 -11.195 -23.258 1.00 0.00 C ATOM 0 H VAL A 9 14.697 -12.087 -25.620 1.00 0.00 H new ATOM 0 HA VAL A 9 12.685 -13.680 -24.991 1.00 0.00 H new ATOM 0 HB VAL A 9 12.817 -12.598 -22.608 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.034 -13.600 -22.242 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.004 -14.631 -23.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.296 -13.655 -24.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.777 -11.142 -22.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.026 -11.098 -24.049 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.557 -10.386 -23.340 1.00 0.00 H new ATOM 97 N LEU A 10 11.555 -10.602 -24.982 1.00 0.00 N ATOM 98 CA LEU A 10 10.347 -9.786 -24.948 1.00 0.00 C ATOM 99 C LEU A 10 9.400 -10.259 -23.849 1.00 0.00 C ATOM 100 O LEU A 10 8.216 -10.486 -24.092 1.00 0.00 O ATOM 101 CB LEU A 10 9.637 -9.833 -26.302 1.00 0.00 C ATOM 102 CG LEU A 10 8.698 -8.666 -26.610 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.437 -7.342 -26.492 1.00 0.00 C ATOM 104 CD2 LEU A 10 8.092 -8.821 -27.998 1.00 0.00 C ATOM 0 H LEU A 10 12.399 -10.095 -25.251 1.00 0.00 H new ATOM 0 HA LEU A 10 10.640 -8.758 -24.733 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.394 -9.880 -27.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.064 -10.758 -26.357 1.00 0.00 H new ATOM 0 HG LEU A 10 7.888 -8.672 -25.880 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.753 -6.523 -26.715 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.821 -7.229 -25.478 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.267 -7.324 -27.199 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.427 -7.982 -28.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.888 -8.841 -28.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.527 -9.752 -28.046 1.00 0.00 H new ATOM 116 N ALA A 11 9.931 -10.403 -22.639 1.00 0.00 N ATOM 117 CA ALA A 11 9.134 -10.844 -21.503 1.00 0.00 C ATOM 118 C ALA A 11 8.932 -9.713 -20.501 1.00 0.00 C ATOM 119 O ALA A 11 8.355 -9.910 -19.431 1.00 0.00 O ATOM 120 CB ALA A 11 9.792 -12.038 -20.827 1.00 0.00 C ATOM 0 H ALA A 11 10.911 -10.220 -22.421 1.00 0.00 H new ATOM 0 HA ALA A 11 8.154 -11.145 -21.875 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.185 -12.357 -19.980 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.878 -12.858 -21.540 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.785 -11.756 -20.476 1.00 0.00 H new ATOM 126 N LYS A 12 9.412 -8.525 -20.853 1.00 0.00 N ATOM 127 CA LYS A 12 9.284 -7.359 -19.986 1.00 0.00 C ATOM 128 C LYS A 12 8.196 -6.419 -20.495 1.00 0.00 C ATOM 129 O LYS A 12 7.971 -5.351 -19.926 1.00 0.00 O ATOM 130 CB LYS A 12 10.618 -6.614 -19.899 1.00 0.00 C ATOM 131 CG LYS A 12 11.129 -6.124 -21.242 1.00 0.00 C ATOM 132 CD LYS A 12 10.628 -4.724 -21.553 1.00 0.00 C ATOM 133 CE LYS A 12 11.476 -3.663 -20.871 1.00 0.00 C ATOM 134 NZ LYS A 12 11.108 -2.289 -21.314 1.00 0.00 N ATOM 0 H LYS A 12 9.894 -8.344 -21.734 1.00 0.00 H new ATOM 0 HA LYS A 12 9.003 -7.706 -18.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.505 -5.761 -19.229 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.364 -7.272 -19.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.219 -6.129 -21.241 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.807 -6.809 -22.026 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.641 -4.563 -22.631 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.592 -4.627 -21.228 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.355 -3.741 -19.791 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.529 -3.845 -21.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.709 -1.594 -20.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.247 -2.206 -22.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.110 -2.106 -21.084 1.00 0.00 H new ATOM 148 N GLU A 13 7.524 -6.824 -21.568 1.00 0.00 N ATOM 149 CA GLU A 13 6.460 -6.017 -22.152 1.00 0.00 C ATOM 150 C GLU A 13 5.344 -5.772 -21.139 1.00 0.00 C ATOM 151 O GLU A 13 5.032 -4.629 -20.809 1.00 0.00 O ATOM 152 CB GLU A 13 5.892 -6.703 -23.396 1.00 0.00 C ATOM 153 CG GLU A 13 6.600 -6.311 -24.683 1.00 0.00 C ATOM 154 CD GLU A 13 5.970 -5.103 -25.350 1.00 0.00 C ATOM 155 OE1 GLU A 13 5.590 -4.159 -24.628 1.00 0.00 O ATOM 156 OE2 GLU A 13 5.857 -5.104 -26.594 1.00 0.00 O ATOM 0 H GLU A 13 7.698 -7.706 -22.050 1.00 0.00 H new ATOM 0 HA GLU A 13 6.885 -5.055 -22.439 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.960 -7.783 -23.268 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.833 -6.459 -23.484 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.647 -6.098 -24.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.582 -7.154 -25.374 1.00 0.00 H new ATOM 163 N GLU A 14 4.749 -6.855 -20.651 1.00 0.00 N ATOM 164 CA GLU A 14 3.668 -6.759 -19.677 1.00 0.00 C ATOM 165 C GLU A 14 3.901 -7.711 -18.508 1.00 0.00 C ATOM 166 O GLU A 14 4.882 -8.454 -18.486 1.00 0.00 O ATOM 167 CB GLU A 14 2.324 -7.069 -20.342 1.00 0.00 C ATOM 168 CG GLU A 14 1.681 -5.862 -21.003 1.00 0.00 C ATOM 169 CD GLU A 14 2.195 -5.625 -22.410 1.00 0.00 C ATOM 170 OE1 GLU A 14 2.119 -6.558 -23.236 1.00 0.00 O ATOM 171 OE2 GLU A 14 2.672 -4.504 -22.684 1.00 0.00 O ATOM 0 H GLU A 14 4.997 -7.809 -20.914 1.00 0.00 H new ATOM 0 HA GLU A 14 3.649 -5.739 -19.293 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.469 -7.848 -21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.641 -7.470 -19.593 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.600 -6.002 -21.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.871 -4.976 -20.397 1.00 0.00 H new ATOM 178 N ALA A 15 2.992 -7.683 -17.539 1.00 0.00 N ATOM 179 CA ALA A 15 3.098 -8.545 -16.368 1.00 0.00 C ATOM 180 C ALA A 15 1.728 -8.795 -15.746 1.00 0.00 C ATOM 181 O ALA A 15 0.983 -7.857 -15.463 1.00 0.00 O ATOM 182 CB ALA A 15 4.040 -7.930 -15.344 1.00 0.00 C ATOM 0 H ALA A 15 2.174 -7.073 -17.542 1.00 0.00 H new ATOM 0 HA ALA A 15 3.504 -9.505 -16.688 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.110 -8.584 -14.475 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.029 -7.808 -15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.657 -6.957 -15.036 1.00 0.00 H new ATOM 188 N ARG A 16 1.403 -10.067 -15.536 1.00 0.00 N ATOM 189 CA ARG A 16 0.121 -10.440 -14.950 1.00 0.00 C ATOM 190 C ARG A 16 0.247 -10.623 -13.440 1.00 0.00 C ATOM 191 O ARG A 16 -0.754 -10.675 -12.725 1.00 0.00 O ATOM 192 CB ARG A 16 -0.401 -11.728 -15.589 1.00 0.00 C ATOM 193 CG ARG A 16 0.292 -12.983 -15.084 1.00 0.00 C ATOM 194 CD ARG A 16 -0.534 -14.228 -15.365 1.00 0.00 C ATOM 195 NE ARG A 16 0.204 -15.453 -15.071 1.00 0.00 N ATOM 196 CZ ARG A 16 -0.367 -16.648 -14.965 1.00 0.00 C ATOM 197 NH1 ARG A 16 -1.675 -16.778 -15.129 1.00 0.00 N ATOM 198 NH2 ARG A 16 0.373 -17.716 -14.697 1.00 0.00 N ATOM 0 H ARG A 16 2.009 -10.855 -15.763 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.587 -9.634 -15.144 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.471 -11.811 -15.396 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.276 -11.664 -16.670 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.268 -13.078 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.468 -12.896 -14.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.445 -14.201 -14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.840 -14.231 -16.411 1.00 0.00 H new ATOM 0 HE ARG A 16 1.213 -15.388 -14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.247 -15.959 -15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.110 -17.697 -15.047 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.381 -17.620 -14.572 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.066 -18.633 -14.616 1.00 0.00 H new ATOM 212 N ARG A 17 1.484 -10.722 -12.962 1.00 0.00 N ATOM 213 CA ARG A 17 1.741 -10.902 -11.538 1.00 0.00 C ATOM 214 C ARG A 17 0.989 -9.859 -10.715 1.00 0.00 C ATOM 215 O ARG A 17 0.402 -8.926 -11.262 1.00 0.00 O ATOM 216 CB ARG A 17 3.241 -10.808 -11.254 1.00 0.00 C ATOM 217 CG ARG A 17 3.911 -9.610 -11.906 1.00 0.00 C ATOM 218 CD ARG A 17 3.903 -8.398 -10.988 1.00 0.00 C ATOM 219 NE ARG A 17 4.656 -7.280 -11.551 1.00 0.00 N ATOM 220 CZ ARG A 17 4.921 -6.163 -10.883 1.00 0.00 C ATOM 221 NH1 ARG A 17 4.498 -6.016 -9.635 1.00 0.00 N ATOM 222 NH2 ARG A 17 5.613 -5.190 -11.462 1.00 0.00 N ATOM 0 H ARG A 17 2.323 -10.681 -13.540 1.00 0.00 H new ATOM 0 HA ARG A 17 1.385 -11.892 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.396 -10.758 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.726 -11.719 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.939 -9.864 -12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.398 -9.366 -12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.874 -8.087 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.328 -8.672 -10.022 1.00 0.00 H new ATOM 0 HE ARG A 17 4.997 -7.362 -12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.967 -6.762 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.703 -5.157 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.942 -5.299 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.816 -4.333 -10.948 1.00 0.00 H new ATOM 236 N ALA A 18 1.013 -10.026 -9.397 1.00 0.00 N ATOM 237 CA ALA A 18 0.335 -9.099 -8.498 1.00 0.00 C ATOM 238 C ALA A 18 -1.172 -9.111 -8.729 1.00 0.00 C ATOM 239 O ALA A 18 -1.800 -8.059 -8.854 1.00 0.00 O ATOM 240 CB ALA A 18 0.887 -7.693 -8.677 1.00 0.00 C ATOM 0 H ALA A 18 1.494 -10.794 -8.928 1.00 0.00 H new ATOM 0 HA ALA A 18 0.521 -9.424 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.372 -7.011 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.954 -7.690 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.731 -7.369 -9.706 1.00 0.00 H new ATOM 246 N LEU A 19 -1.747 -10.308 -8.786 1.00 0.00 N ATOM 247 CA LEU A 19 -3.181 -10.457 -9.004 1.00 0.00 C ATOM 248 C LEU A 19 -3.927 -10.544 -7.677 1.00 0.00 C ATOM 249 O LEU A 19 -5.140 -10.342 -7.621 1.00 0.00 O ATOM 250 CB LEU A 19 -3.462 -11.706 -9.842 1.00 0.00 C ATOM 251 CG LEU A 19 -2.576 -12.919 -9.558 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.293 -14.205 -9.941 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.255 -12.801 -10.303 1.00 0.00 C ATOM 0 H LEU A 19 -1.242 -11.188 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.535 -9.578 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.501 -11.996 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.358 -11.444 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.366 -12.949 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.647 -15.058 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.212 -14.295 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.534 -14.184 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.637 -13.673 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.445 -12.746 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.734 -11.900 -9.980 1.00 0.00 H new ATOM 265 N GLU A 20 -3.194 -10.844 -6.609 1.00 0.00 N ATOM 266 CA GLU A 20 -3.786 -10.956 -5.282 1.00 0.00 C ATOM 267 C GLU A 20 -3.815 -9.599 -4.583 1.00 0.00 C ATOM 268 O GLU A 20 -4.773 -9.268 -3.884 1.00 0.00 O ATOM 269 CB GLU A 20 -3.006 -11.962 -4.433 1.00 0.00 C ATOM 270 CG GLU A 20 -1.499 -11.796 -4.524 1.00 0.00 C ATOM 271 CD GLU A 20 -0.903 -12.529 -5.710 1.00 0.00 C ATOM 272 OE1 GLU A 20 -1.418 -13.611 -6.059 1.00 0.00 O ATOM 273 OE2 GLU A 20 0.080 -12.021 -6.289 1.00 0.00 O ATOM 0 H GLU A 20 -2.189 -11.014 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.811 -11.308 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.312 -11.860 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.271 -12.972 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.258 -10.736 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.040 -12.164 -3.606 1.00 0.00 H new ATOM 280 N THR A 21 -2.757 -8.818 -4.777 1.00 0.00 N ATOM 281 CA THR A 21 -2.658 -7.498 -4.165 1.00 0.00 C ATOM 282 C THR A 21 -2.780 -6.397 -5.211 1.00 0.00 C ATOM 283 O THR A 21 -2.448 -6.581 -6.383 1.00 0.00 O ATOM 284 CB THR A 21 -1.329 -7.328 -3.407 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.323 -6.822 -4.292 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.870 -8.652 -2.815 1.00 0.00 C ATOM 0 H THR A 21 -1.956 -9.077 -5.353 1.00 0.00 H new ATOM 0 HA THR A 21 -3.483 -7.415 -3.457 1.00 0.00 H new ATOM 0 HB THR A 21 -1.488 -6.620 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.519 -6.715 -3.803 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.071 -8.507 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.625 -9.021 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.727 -9.378 -3.615 1.00 0.00 H new ATOM 294 N PRO A 22 -3.265 -5.222 -4.781 1.00 0.00 N ATOM 295 CA PRO A 22 -3.440 -4.067 -5.667 1.00 0.00 C ATOM 296 C PRO A 22 -2.108 -3.467 -6.107 1.00 0.00 C ATOM 297 O PRO A 22 -1.079 -3.680 -5.465 1.00 0.00 O ATOM 298 CB PRO A 22 -4.214 -3.070 -4.800 1.00 0.00 C ATOM 299 CG PRO A 22 -3.871 -3.441 -3.398 1.00 0.00 C ATOM 300 CD PRO A 22 -3.680 -4.932 -3.399 1.00 0.00 C ATOM 0 HA PRO A 22 -3.950 -4.336 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.922 -2.043 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.287 -3.141 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.965 -2.932 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.666 -3.150 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.922 -5.240 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.600 -5.455 -3.138 1.00 0.00 H new ATOM 308 N SER A 23 -2.135 -2.717 -7.204 1.00 0.00 N ATOM 309 CA SER A 23 -0.930 -2.089 -7.730 1.00 0.00 C ATOM 310 C SER A 23 -0.344 -1.104 -6.723 1.00 0.00 C ATOM 311 O SER A 23 0.874 -1.004 -6.573 1.00 0.00 O ATOM 312 CB SER A 23 -1.237 -1.370 -9.045 1.00 0.00 C ATOM 313 OG SER A 23 -2.048 -0.229 -8.824 1.00 0.00 O ATOM 0 H SER A 23 -2.979 -2.530 -7.746 1.00 0.00 H new ATOM 0 HA SER A 23 -0.194 -2.872 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.306 -1.071 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.743 -2.053 -9.727 1.00 0.00 H new ATOM 0 HG SER A 23 -2.229 0.214 -9.679 1.00 0.00 H new ATOM 319 N CYS A 24 -1.220 -0.382 -6.035 1.00 0.00 N ATOM 320 CA CYS A 24 -0.793 0.597 -5.041 1.00 0.00 C ATOM 321 C CYS A 24 0.138 -0.042 -4.016 1.00 0.00 C ATOM 322 O CYS A 24 0.944 0.641 -3.383 1.00 0.00 O ATOM 323 CB CYS A 24 -2.007 1.205 -4.337 1.00 0.00 C ATOM 324 SG CYS A 24 -3.354 1.663 -5.454 1.00 0.00 S ATOM 0 H CYS A 24 -2.231 -0.456 -6.147 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.249 1.388 -5.557 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.384 0.492 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.689 2.090 -3.786 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.073 1.265 -6.659 1.00 0.00 H new ATOM 330 N PHE A 25 0.021 -1.357 -3.856 1.00 0.00 N ATOM 331 CA PHE A 25 0.850 -2.087 -2.905 1.00 0.00 C ATOM 332 C PHE A 25 2.265 -2.271 -3.446 1.00 0.00 C ATOM 333 O PHE A 25 2.473 -2.352 -4.657 1.00 0.00 O ATOM 334 CB PHE A 25 0.228 -3.450 -2.596 1.00 0.00 C ATOM 335 CG PHE A 25 1.071 -4.303 -1.691 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.284 -4.811 -2.128 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.651 -4.595 -0.403 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.061 -5.596 -1.296 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.423 -5.380 0.432 1.00 0.00 C ATOM 340 CZ PHE A 25 2.631 -5.879 -0.015 1.00 0.00 C ATOM 0 H PHE A 25 -0.640 -1.938 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 25 0.905 -1.504 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.748 -3.299 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.059 -3.984 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.626 -4.592 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.291 -4.204 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.004 -5.988 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.082 -5.603 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.238 -6.490 0.637 1.00 0.00 H new ATOM 350 N LEU A 26 3.234 -2.337 -2.539 1.00 0.00 N ATOM 351 CA LEU A 26 4.631 -2.511 -2.924 1.00 0.00 C ATOM 352 C LEU A 26 5.416 -3.213 -1.821 1.00 0.00 C ATOM 353 O LEU A 26 5.037 -3.170 -0.650 1.00 0.00 O ATOM 354 CB LEU A 26 5.267 -1.156 -3.237 1.00 0.00 C ATOM 355 CG LEU A 26 4.597 0.063 -2.602 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.756 0.033 -1.090 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.174 1.348 -3.176 1.00 0.00 C ATOM 0 H LEU A 26 3.078 -2.273 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 26 4.661 -3.134 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.308 -1.183 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.272 -1.021 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 26 3.533 0.031 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.273 0.908 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.294 -0.871 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.816 0.040 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.685 2.205 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.245 1.388 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.006 1.373 -4.253 1.00 0.00 H new ATOM 369 N LYS A 27 6.515 -3.857 -2.201 1.00 0.00 N ATOM 370 CA LYS A 27 7.356 -4.565 -1.245 1.00 0.00 C ATOM 371 C LYS A 27 8.555 -3.712 -0.840 1.00 0.00 C ATOM 372 O LYS A 27 9.504 -3.554 -1.607 1.00 0.00 O ATOM 373 CB LYS A 27 7.838 -5.890 -1.841 1.00 0.00 C ATOM 374 CG LYS A 27 6.875 -7.043 -1.618 1.00 0.00 C ATOM 375 CD LYS A 27 7.385 -8.327 -2.251 1.00 0.00 C ATOM 376 CE LYS A 27 6.445 -9.492 -1.984 1.00 0.00 C ATOM 377 NZ LYS A 27 5.257 -9.462 -2.882 1.00 0.00 N ATOM 0 H LYS A 27 6.843 -3.903 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 27 6.760 -4.769 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.996 -5.761 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.804 -6.145 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.731 -7.196 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.901 -6.791 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.494 -8.185 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.375 -8.559 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.981 -10.431 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.116 -9.463 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.640 -10.272 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.731 -8.578 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.569 -9.515 -3.873 1.00 0.00 H new ATOM 391 N VAL A 28 8.505 -3.167 0.371 1.00 0.00 N ATOM 392 CA VAL A 28 9.587 -2.332 0.879 1.00 0.00 C ATOM 393 C VAL A 28 9.641 -2.370 2.403 1.00 0.00 C ATOM 394 O VAL A 28 8.637 -2.632 3.064 1.00 0.00 O ATOM 395 CB VAL A 28 9.432 -0.871 0.419 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.986 -0.812 -1.034 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.452 -0.130 1.316 1.00 0.00 C ATOM 0 H VAL A 28 7.727 -3.289 1.019 1.00 0.00 H new ATOM 0 HA VAL A 28 10.515 -2.736 0.475 1.00 0.00 H new ATOM 0 HB VAL A 28 10.402 -0.380 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.882 0.229 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.729 -1.303 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.027 -1.319 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.355 0.901 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.479 -0.619 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.819 -0.140 2.342 1.00 0.00 H new ATOM 407 N SER A 29 10.822 -2.108 2.953 1.00 0.00 N ATOM 408 CA SER A 29 11.010 -2.115 4.400 1.00 0.00 C ATOM 409 C SER A 29 10.005 -1.191 5.082 1.00 0.00 C ATOM 410 O SER A 29 9.409 -0.324 4.444 1.00 0.00 O ATOM 411 CB SER A 29 12.436 -1.687 4.753 1.00 0.00 C ATOM 412 OG SER A 29 13.299 -2.808 4.832 1.00 0.00 O ATOM 0 H SER A 29 11.663 -1.888 2.419 1.00 0.00 H new ATOM 0 HA SER A 29 10.845 -3.131 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.807 -0.991 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.435 -1.157 5.705 1.00 0.00 H new ATOM 0 HG SER A 29 14.228 -2.502 4.898 1.00 0.00 H new ATOM 418 N ARG A 30 9.823 -1.385 6.384 1.00 0.00 N ATOM 419 CA ARG A 30 8.891 -0.571 7.155 1.00 0.00 C ATOM 420 C ARG A 30 9.424 0.848 7.329 1.00 0.00 C ATOM 421 O ARG A 30 8.655 1.796 7.502 1.00 0.00 O ATOM 422 CB ARG A 30 8.639 -1.204 8.525 1.00 0.00 C ATOM 423 CG ARG A 30 9.854 -1.185 9.436 1.00 0.00 C ATOM 424 CD ARG A 30 10.641 -2.483 9.342 1.00 0.00 C ATOM 425 NE ARG A 30 11.731 -2.393 8.373 1.00 0.00 N ATOM 426 CZ ARG A 30 12.762 -1.567 8.502 1.00 0.00 C ATOM 427 NH1 ARG A 30 12.846 -0.765 9.555 1.00 0.00 N ATOM 428 NH2 ARG A 30 13.715 -1.543 7.579 1.00 0.00 N ATOM 0 H ARG A 30 10.309 -2.099 6.927 1.00 0.00 H new ATOM 0 HA ARG A 30 7.950 -0.523 6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.820 -0.677 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.316 -2.236 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.498 -0.347 9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.535 -1.025 10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.047 -2.733 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.970 -3.294 9.059 1.00 0.00 H new ATOM 0 HE ARG A 30 11.698 -2.998 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.117 -0.782 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.639 -0.131 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.656 -2.160 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.507 -0.908 7.680 1.00 0.00 H new ATOM 442 N LEU A 31 10.744 0.988 7.284 1.00 0.00 N ATOM 443 CA LEU A 31 11.380 2.292 7.437 1.00 0.00 C ATOM 444 C LEU A 31 11.494 3.004 6.093 1.00 0.00 C ATOM 445 O LEU A 31 11.637 4.225 6.037 1.00 0.00 O ATOM 446 CB LEU A 31 12.768 2.133 8.062 1.00 0.00 C ATOM 447 CG LEU A 31 12.829 2.205 9.588 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.258 2.026 10.075 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.257 3.526 10.084 1.00 0.00 C ATOM 0 H LEU A 31 11.395 0.215 7.143 1.00 0.00 H new ATOM 0 HA LEU A 31 10.758 2.898 8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.179 1.174 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.418 2.907 7.655 1.00 0.00 H new ATOM 0 HG LEU A 31 12.224 1.394 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.281 2.080 11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.633 1.055 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.886 2.814 9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.309 3.559 11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.834 4.352 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.218 3.614 9.767 1.00 0.00 H new ATOM 461 N GLU A 32 11.430 2.232 5.013 1.00 0.00 N ATOM 462 CA GLU A 32 11.524 2.791 3.669 1.00 0.00 C ATOM 463 C GLU A 32 10.183 3.370 3.225 1.00 0.00 C ATOM 464 O GLU A 32 10.081 4.556 2.911 1.00 0.00 O ATOM 465 CB GLU A 32 11.980 1.718 2.678 1.00 0.00 C ATOM 466 CG GLU A 32 13.489 1.548 2.618 1.00 0.00 C ATOM 467 CD GLU A 32 13.911 0.383 1.745 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.980 0.561 0.511 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.171 -0.708 2.295 1.00 0.00 O ATOM 0 H GLU A 32 11.314 1.219 5.042 1.00 0.00 H new ATOM 0 HA GLU A 32 12.259 3.595 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.526 0.766 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.612 1.973 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.939 2.465 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.874 1.399 3.627 1.00 0.00 H new ATOM 476 N ALA A 33 9.158 2.526 3.203 1.00 0.00 N ATOM 477 CA ALA A 33 7.824 2.953 2.800 1.00 0.00 C ATOM 478 C ALA A 33 7.534 4.372 3.279 1.00 0.00 C ATOM 479 O ALA A 33 6.865 5.143 2.592 1.00 0.00 O ATOM 480 CB ALA A 33 6.776 1.989 3.336 1.00 0.00 C ATOM 0 H ALA A 33 9.226 1.541 3.460 1.00 0.00 H new ATOM 0 HA ALA A 33 7.782 2.949 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.785 2.321 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.964 0.991 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.827 1.964 4.425 1.00 0.00 H new ATOM 486 N GLN A 34 8.041 4.708 4.461 1.00 0.00 N ATOM 487 CA GLN A 34 7.835 6.033 5.031 1.00 0.00 C ATOM 488 C GLN A 34 8.548 7.099 4.205 1.00 0.00 C ATOM 489 O GLN A 34 7.988 8.159 3.922 1.00 0.00 O ATOM 490 CB GLN A 34 8.334 6.073 6.477 1.00 0.00 C ATOM 491 CG GLN A 34 7.857 7.292 7.251 1.00 0.00 C ATOM 492 CD GLN A 34 8.826 7.705 8.342 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.015 7.390 8.285 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.320 8.413 9.345 1.00 0.00 N ATOM 0 H GLN A 34 8.597 4.081 5.042 1.00 0.00 H new ATOM 0 HA GLN A 34 6.766 6.244 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.001 5.172 6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.424 6.056 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.716 8.124 6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.885 7.078 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.328 8.652 9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.923 8.718 10.109 1.00 0.00 H new ATOM 503 N LEU A 35 9.787 6.811 3.820 1.00 0.00 N ATOM 504 CA LEU A 35 10.578 7.745 3.026 1.00 0.00 C ATOM 505 C LEU A 35 9.979 7.919 1.634 1.00 0.00 C ATOM 506 O LEU A 35 9.941 9.026 1.098 1.00 0.00 O ATOM 507 CB LEU A 35 12.022 7.253 2.915 1.00 0.00 C ATOM 508 CG LEU A 35 12.331 6.343 1.726 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.485 7.160 0.453 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.587 5.525 1.992 1.00 0.00 C ATOM 0 H LEU A 35 10.265 5.939 4.045 1.00 0.00 H new ATOM 0 HA LEU A 35 10.568 8.712 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.678 8.122 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.274 6.719 3.831 1.00 0.00 H new ATOM 0 HG LEU A 35 11.495 5.656 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.705 6.495 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.560 7.700 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.301 7.872 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.791 4.883 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.431 6.196 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.439 4.909 2.879 1.00 0.00 H new ATOM 522 N LEU A 36 9.511 6.819 1.056 1.00 0.00 N ATOM 523 CA LEU A 36 8.910 6.850 -0.274 1.00 0.00 C ATOM 524 C LEU A 36 7.901 7.987 -0.389 1.00 0.00 C ATOM 525 O LEU A 36 7.695 8.542 -1.469 1.00 0.00 O ATOM 526 CB LEU A 36 8.229 5.515 -0.578 1.00 0.00 C ATOM 527 CG LEU A 36 9.128 4.416 -1.145 1.00 0.00 C ATOM 528 CD1 LEU A 36 8.347 3.123 -1.318 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.736 4.855 -2.471 1.00 0.00 C ATOM 0 H LEU A 36 9.536 5.895 1.486 1.00 0.00 H new ATOM 0 HA LEU A 36 9.704 7.019 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.773 5.145 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.420 5.696 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 36 9.938 4.236 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.004 2.353 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.960 2.799 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.516 3.289 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.373 4.061 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.939 5.064 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.331 5.755 -2.318 1.00 0.00 H new ATOM 541 N LEU A 37 7.275 8.331 0.731 1.00 0.00 N ATOM 542 CA LEU A 37 6.288 9.405 0.757 1.00 0.00 C ATOM 543 C LEU A 37 6.938 10.750 0.449 1.00 0.00 C ATOM 544 O LEU A 37 6.672 11.354 -0.590 1.00 0.00 O ATOM 545 CB LEU A 37 5.600 9.459 2.123 1.00 0.00 C ATOM 546 CG LEU A 37 4.925 8.167 2.586 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.445 8.302 4.023 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.767 7.810 1.666 1.00 0.00 C ATOM 0 H LEU A 37 7.433 7.882 1.633 1.00 0.00 H new ATOM 0 HA LEU A 37 5.543 9.198 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.341 9.746 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.849 10.249 2.098 1.00 0.00 H new ATOM 0 HG LEU A 37 5.658 7.361 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.967 7.374 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.295 8.509 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.728 9.120 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.299 6.888 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.033 8.615 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.139 7.670 0.651 1.00 0.00 H new ATOM 560 N GLU A 38 7.791 11.211 1.357 1.00 0.00 N ATOM 561 CA GLU A 38 8.480 12.484 1.180 1.00 0.00 C ATOM 562 C GLU A 38 9.152 12.554 -0.189 1.00 0.00 C ATOM 563 O GLU A 38 9.360 13.637 -0.735 1.00 0.00 O ATOM 564 CB GLU A 38 9.523 12.683 2.282 1.00 0.00 C ATOM 565 CG GLU A 38 10.668 11.685 2.224 1.00 0.00 C ATOM 566 CD GLU A 38 11.795 12.034 3.176 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.089 13.238 3.334 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.383 11.103 3.765 1.00 0.00 O ATOM 0 H GLU A 38 8.022 10.723 2.222 1.00 0.00 H new ATOM 0 HA GLU A 38 7.738 13.280 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.928 13.692 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.033 12.605 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.291 10.691 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.057 11.643 1.207 1.00 0.00 H new ATOM 575 N ARG A 39 9.488 11.390 -0.736 1.00 0.00 N ATOM 576 CA ARG A 39 10.138 11.318 -2.039 1.00 0.00 C ATOM 577 C ARG A 39 9.157 11.670 -3.155 1.00 0.00 C ATOM 578 O ARG A 39 9.451 12.504 -4.013 1.00 0.00 O ATOM 579 CB ARG A 39 10.711 9.919 -2.272 1.00 0.00 C ATOM 580 CG ARG A 39 12.103 9.728 -1.695 1.00 0.00 C ATOM 581 CD ARG A 39 13.144 10.511 -2.480 1.00 0.00 C ATOM 582 NE ARG A 39 14.496 10.286 -1.974 1.00 0.00 N ATOM 583 CZ ARG A 39 14.955 10.816 -0.847 1.00 0.00 C ATOM 584 NH1 ARG A 39 14.177 11.597 -0.111 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.197 10.565 -0.451 1.00 0.00 N ATOM 0 H ARG A 39 9.321 10.485 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 39 10.952 12.042 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.040 9.182 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.741 9.722 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.114 10.049 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.360 8.669 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.098 10.223 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.911 11.575 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 39 15.121 9.689 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.222 11.793 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.534 12.002 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.800 9.964 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.548 10.973 0.415 1.00 0.00 H new ATOM 599 N TYR A 40 7.994 11.030 -3.137 1.00 0.00 N ATOM 600 CA TYR A 40 6.972 11.272 -4.148 1.00 0.00 C ATOM 601 C TYR A 40 5.647 11.660 -3.501 1.00 0.00 C ATOM 602 O TYR A 40 4.740 10.843 -3.345 1.00 0.00 O ATOM 603 CB TYR A 40 6.782 10.029 -5.020 1.00 0.00 C ATOM 604 CG TYR A 40 8.082 9.407 -5.478 1.00 0.00 C ATOM 605 CD1 TYR A 40 8.920 8.760 -4.580 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.471 9.467 -6.811 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.109 8.190 -4.995 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.657 8.899 -7.235 1.00 0.00 C ATOM 609 CZ TYR A 40 10.472 8.263 -6.323 1.00 0.00 C ATOM 610 OH TYR A 40 11.655 7.697 -6.742 1.00 0.00 O ATOM 0 H TYR A 40 7.735 10.339 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 40 7.306 12.099 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.211 9.287 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.189 10.296 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.638 8.701 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.835 9.966 -7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.750 7.691 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.944 8.953 -8.275 1.00 0.00 H new ATOM 0 HH TYR A 40 11.761 7.836 -7.706 1.00 0.00 H new ATOM 620 N PRO A 41 5.532 12.940 -3.114 1.00 0.00 N ATOM 621 CA PRO A 41 4.321 13.468 -2.479 1.00 0.00 C ATOM 622 C PRO A 41 3.146 13.552 -3.448 1.00 0.00 C ATOM 623 O PRO A 41 2.035 13.130 -3.130 1.00 0.00 O ATOM 624 CB PRO A 41 4.741 14.868 -2.025 1.00 0.00 C ATOM 625 CG PRO A 41 5.851 15.247 -2.943 1.00 0.00 C ATOM 626 CD PRO A 41 6.573 13.969 -3.269 1.00 0.00 C ATOM 0 HA PRO A 41 3.974 12.828 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.912 15.572 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.070 14.865 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.466 15.719 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.521 15.964 -2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.977 13.983 -4.281 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.411 13.798 -2.594 1.00 0.00 H new ATOM 634 N GLU A 42 3.401 14.100 -4.633 1.00 0.00 N ATOM 635 CA GLU A 42 2.363 14.239 -5.647 1.00 0.00 C ATOM 636 C GLU A 42 1.685 12.898 -5.920 1.00 0.00 C ATOM 637 O GLU A 42 0.474 12.837 -6.135 1.00 0.00 O ATOM 638 CB GLU A 42 2.957 14.795 -6.943 1.00 0.00 C ATOM 639 CG GLU A 42 3.536 16.191 -6.797 1.00 0.00 C ATOM 640 CD GLU A 42 2.536 17.182 -6.232 1.00 0.00 C ATOM 641 OE1 GLU A 42 2.352 17.202 -4.998 1.00 0.00 O ATOM 642 OE2 GLU A 42 1.936 17.937 -7.026 1.00 0.00 O ATOM 0 H GLU A 42 4.316 14.454 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 42 1.614 14.935 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.739 14.121 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.183 14.810 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.410 16.152 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.879 16.542 -7.770 1.00 0.00 H new ATOM 649 N CYS A 43 2.475 11.831 -5.910 1.00 0.00 N ATOM 650 CA CYS A 43 1.952 10.492 -6.157 1.00 0.00 C ATOM 651 C CYS A 43 0.854 10.143 -5.156 1.00 0.00 C ATOM 652 O CYS A 43 -0.206 9.646 -5.531 1.00 0.00 O ATOM 653 CB CYS A 43 3.077 9.460 -6.077 1.00 0.00 C ATOM 654 SG CYS A 43 2.810 7.995 -7.104 1.00 0.00 S ATOM 0 H CYS A 43 3.479 11.866 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 43 1.524 10.476 -7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.012 9.934 -6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.195 9.147 -5.040 1.00 0.00 H new ATOM 0 HG CYS A 43 3.534 7.013 -6.655 1.00 0.00 H new ATOM 660 N GLY A 44 1.120 10.405 -3.880 1.00 0.00 N ATOM 661 CA GLY A 44 0.147 10.110 -2.844 1.00 0.00 C ATOM 662 C GLY A 44 0.790 9.883 -1.491 1.00 0.00 C ATOM 663 O GLY A 44 2.008 9.979 -1.352 1.00 0.00 O ATOM 0 H GLY A 44 1.991 10.816 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.563 10.934 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.421 9.224 -3.126 1.00 0.00 H new ATOM 667 N ASN A 45 -0.031 9.581 -0.491 1.00 0.00 N ATOM 668 CA ASN A 45 0.465 9.341 0.860 1.00 0.00 C ATOM 669 C ASN A 45 0.053 7.958 1.353 1.00 0.00 C ATOM 670 O ASN A 45 0.751 7.341 2.160 1.00 0.00 O ATOM 671 CB ASN A 45 -0.059 10.414 1.817 1.00 0.00 C ATOM 672 CG ASN A 45 -1.571 10.520 1.794 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.237 9.637 2.529 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -2.134 11.385 1.123 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.043 9.497 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 45 1.554 9.388 0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.271 10.186 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.374 11.378 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.582 12.043 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.152 11.444 1.117 1.00 0.00 H new ATOM 681 N LEU A 46 -1.084 7.477 0.864 1.00 0.00 N ATOM 682 CA LEU A 46 -1.590 6.165 1.255 1.00 0.00 C ATOM 683 C LEU A 46 -0.860 5.054 0.507 1.00 0.00 C ATOM 684 O LEU A 46 -0.793 5.060 -0.723 1.00 0.00 O ATOM 685 CB LEU A 46 -3.093 6.076 0.984 1.00 0.00 C ATOM 686 CG LEU A 46 -3.665 4.665 0.835 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.833 4.010 2.197 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.994 4.705 0.093 1.00 0.00 C ATOM 0 H LEU A 46 -1.673 7.975 0.197 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.411 6.037 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.619 6.576 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.311 6.633 0.073 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.963 4.068 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.241 3.007 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.864 3.948 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.514 4.605 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.387 3.693 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.703 5.318 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.845 5.133 -0.898 1.00 0.00 H new ATOM 700 N LEU A 47 -0.316 4.103 1.256 1.00 0.00 N ATOM 701 CA LEU A 47 0.407 2.982 0.663 1.00 0.00 C ATOM 702 C LEU A 47 0.314 1.744 1.548 1.00 0.00 C ATOM 703 O LEU A 47 -0.034 1.835 2.726 1.00 0.00 O ATOM 704 CB LEU A 47 1.875 3.357 0.443 1.00 0.00 C ATOM 705 CG LEU A 47 2.824 3.058 1.603 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.395 1.653 1.476 1.00 0.00 C ATOM 707 CD2 LEU A 47 3.944 4.086 1.654 1.00 0.00 C ATOM 0 H LEU A 47 -0.361 4.084 2.275 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.052 2.753 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.236 2.830 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.928 4.423 0.222 1.00 0.00 H new ATOM 0 HG LEU A 47 2.260 3.117 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.069 1.457 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.582 0.927 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.944 1.567 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.610 3.857 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.506 4.058 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.519 5.080 1.792 1.00 0.00 H new ATOM 719 N LEU A 48 0.629 0.588 0.975 1.00 0.00 N ATOM 720 CA LEU A 48 0.583 -0.670 1.713 1.00 0.00 C ATOM 721 C LEU A 48 1.925 -1.392 1.640 1.00 0.00 C ATOM 722 O LEU A 48 2.439 -1.661 0.555 1.00 0.00 O ATOM 723 CB LEU A 48 -0.523 -1.568 1.159 1.00 0.00 C ATOM 724 CG LEU A 48 -1.957 -1.119 1.443 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.337 0.049 0.548 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.926 -2.277 1.253 1.00 0.00 C ATOM 0 H LEU A 48 0.919 0.495 0.002 1.00 0.00 H new ATOM 0 HA LEU A 48 0.369 -0.444 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.395 -1.645 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.389 -2.570 1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.016 -0.789 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.361 0.355 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.662 0.884 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.262 -0.253 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.942 -1.939 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.865 -2.638 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.666 -3.085 1.937 1.00 0.00 H new ATOM 738 N ARG A 49 2.486 -1.706 2.804 1.00 0.00 N ATOM 739 CA ARG A 49 3.767 -2.399 2.873 1.00 0.00 C ATOM 740 C ARG A 49 3.617 -3.751 3.565 1.00 0.00 C ATOM 741 O ARG A 49 2.746 -3.950 4.412 1.00 0.00 O ATOM 742 CB ARG A 49 4.794 -1.544 3.617 1.00 0.00 C ATOM 743 CG ARG A 49 4.476 -1.355 5.091 1.00 0.00 C ATOM 744 CD ARG A 49 5.718 -0.985 5.885 1.00 0.00 C ATOM 745 NE ARG A 49 5.408 -0.693 7.282 1.00 0.00 N ATOM 746 CZ ARG A 49 5.234 -1.630 8.208 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.341 -2.913 7.885 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.954 -1.285 9.458 1.00 0.00 N ATOM 0 H ARG A 49 2.073 -1.491 3.712 1.00 0.00 H new ATOM 0 HA ARG A 49 4.116 -2.568 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.776 -2.007 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.855 -0.566 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.724 -0.574 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.046 -2.273 5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.436 -1.803 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.194 -0.116 5.430 1.00 0.00 H new ATOM 0 HE ARG A 49 5.320 0.284 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.557 -3.181 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.207 -3.631 8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.872 -0.300 9.709 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.821 -2.005 10.168 1.00 0.00 H new ATOM 762 N PRO A 50 4.486 -4.704 3.197 1.00 0.00 N ATOM 763 CA PRO A 50 4.472 -6.053 3.771 1.00 0.00 C ATOM 764 C PRO A 50 4.921 -6.068 5.227 1.00 0.00 C ATOM 765 O PRO A 50 6.020 -5.620 5.553 1.00 0.00 O ATOM 766 CB PRO A 50 5.467 -6.820 2.897 1.00 0.00 C ATOM 767 CG PRO A 50 6.386 -5.777 2.363 1.00 0.00 C ATOM 768 CD PRO A 50 5.551 -4.537 2.194 1.00 0.00 C ATOM 0 HA PRO A 50 3.470 -6.482 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.010 -7.566 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.959 -7.350 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.215 -5.599 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.819 -6.088 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.133 -3.633 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.145 -4.460 1.185 1.00 0.00 H new ATOM 776 N SER A 51 4.063 -6.587 6.101 1.00 0.00 N ATOM 777 CA SER A 51 4.371 -6.658 7.525 1.00 0.00 C ATOM 778 C SER A 51 5.507 -7.642 7.787 1.00 0.00 C ATOM 779 O SER A 51 5.641 -8.650 7.095 1.00 0.00 O ATOM 780 CB SER A 51 3.129 -7.071 8.316 1.00 0.00 C ATOM 781 OG SER A 51 3.209 -6.629 9.660 1.00 0.00 O ATOM 0 H SER A 51 3.150 -6.964 5.848 1.00 0.00 H new ATOM 0 HA SER A 51 4.689 -5.668 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.239 -6.654 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.023 -8.156 8.292 1.00 0.00 H new ATOM 0 HG SER A 51 2.402 -6.904 10.143 1.00 0.00 H new ATOM 787 N GLY A 52 6.323 -7.340 8.792 1.00 0.00 N ATOM 788 CA GLY A 52 7.437 -8.207 9.129 1.00 0.00 C ATOM 789 C GLY A 52 7.208 -8.973 10.417 1.00 0.00 C ATOM 790 O GLY A 52 6.923 -10.170 10.392 1.00 0.00 O ATOM 0 H GLY A 52 6.233 -6.511 9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.603 -8.913 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.343 -7.609 9.222 1.00 0.00 H new ATOM 794 N ASP A 53 7.331 -8.281 11.544 1.00 0.00 N ATOM 795 CA ASP A 53 7.135 -8.904 12.849 1.00 0.00 C ATOM 796 C ASP A 53 5.811 -8.467 13.466 1.00 0.00 C ATOM 797 O ASP A 53 5.522 -7.275 13.562 1.00 0.00 O ATOM 798 CB ASP A 53 8.291 -8.548 13.785 1.00 0.00 C ATOM 799 CG ASP A 53 8.297 -7.080 14.167 1.00 0.00 C ATOM 800 OD1 ASP A 53 8.892 -6.276 13.420 1.00 0.00 O ATOM 801 OD2 ASP A 53 7.706 -6.737 15.212 1.00 0.00 O ATOM 0 H ASP A 53 7.565 -7.289 11.581 1.00 0.00 H new ATOM 0 HA ASP A 53 7.110 -9.985 12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.224 -9.155 14.688 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.236 -8.799 13.302 1.00 0.00 H new ATOM 806 N GLY A 54 5.007 -9.441 13.883 1.00 0.00 N ATOM 807 CA GLY A 54 3.723 -9.137 14.484 1.00 0.00 C ATOM 808 C GLY A 54 2.642 -10.115 14.069 1.00 0.00 C ATOM 809 O GLY A 54 2.104 -10.847 14.899 1.00 0.00 O ATOM 0 H GLY A 54 5.223 -10.435 13.815 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.822 -9.149 15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.423 -8.128 14.202 1.00 0.00 H new ATOM 813 N ALA A 55 2.321 -10.127 12.779 1.00 0.00 N ATOM 814 CA ALA A 55 1.298 -11.023 12.254 1.00 0.00 C ATOM 815 C ALA A 55 1.396 -11.139 10.737 1.00 0.00 C ATOM 816 O ALA A 55 2.083 -10.352 10.087 1.00 0.00 O ATOM 817 CB ALA A 55 -0.086 -10.538 12.660 1.00 0.00 C ATOM 0 H ALA A 55 2.755 -9.526 12.078 1.00 0.00 H new ATOM 0 HA ALA A 55 1.464 -12.013 12.679 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.841 -11.216 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.158 -10.513 13.747 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.252 -9.537 12.262 1.00 0.00 H new ATOM 823 N ASP A 56 0.704 -12.126 10.178 1.00 0.00 N ATOM 824 CA ASP A 56 0.713 -12.345 8.736 1.00 0.00 C ATOM 825 C ASP A 56 -0.359 -11.503 8.052 1.00 0.00 C ATOM 826 O ASP A 56 -1.527 -11.885 8.004 1.00 0.00 O ATOM 827 CB ASP A 56 0.493 -13.826 8.422 1.00 0.00 C ATOM 828 CG ASP A 56 0.989 -14.206 7.041 1.00 0.00 C ATOM 829 OD1 ASP A 56 0.902 -13.359 6.127 1.00 0.00 O ATOM 830 OD2 ASP A 56 1.465 -15.348 6.874 1.00 0.00 O ATOM 0 H ASP A 56 0.130 -12.787 10.701 1.00 0.00 H new ATOM 0 HA ASP A 56 1.687 -12.041 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.006 -14.433 9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.570 -14.057 8.499 1.00 0.00 H new ATOM 835 N GLY A 57 0.047 -10.352 7.524 1.00 0.00 N ATOM 836 CA GLY A 57 -0.891 -9.472 6.851 1.00 0.00 C ATOM 837 C GLY A 57 -0.198 -8.355 6.097 1.00 0.00 C ATOM 838 O GLY A 57 0.916 -8.526 5.603 1.00 0.00 O ATOM 0 H GLY A 57 1.009 -10.013 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.496 -10.054 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.573 -9.042 7.585 1.00 0.00 H new ATOM 842 N VAL A 58 -0.861 -7.206 6.007 1.00 0.00 N ATOM 843 CA VAL A 58 -0.302 -6.054 5.307 1.00 0.00 C ATOM 844 C VAL A 58 -0.622 -4.757 6.042 1.00 0.00 C ATOM 845 O VAL A 58 -1.759 -4.527 6.450 1.00 0.00 O ATOM 846 CB VAL A 58 -0.836 -5.961 3.866 1.00 0.00 C ATOM 847 CG1 VAL A 58 -2.353 -6.063 3.851 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.374 -4.668 3.210 1.00 0.00 C ATOM 0 H VAL A 58 -1.785 -7.048 6.409 1.00 0.00 H new ATOM 0 HA VAL A 58 0.779 -6.194 5.277 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.434 -6.797 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.712 -5.995 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.658 -7.018 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.778 -5.249 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.760 -4.618 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.746 -3.817 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.715 -4.641 3.186 1.00 0.00 H new ATOM 858 N SER A 59 0.390 -3.911 6.205 1.00 0.00 N ATOM 859 CA SER A 59 0.218 -2.637 6.894 1.00 0.00 C ATOM 860 C SER A 59 -0.210 -1.546 5.918 1.00 0.00 C ATOM 861 O SER A 59 -0.013 -1.666 4.708 1.00 0.00 O ATOM 862 CB SER A 59 1.517 -2.231 7.592 1.00 0.00 C ATOM 863 OG SER A 59 2.352 -1.484 6.724 1.00 0.00 O ATOM 0 H SER A 59 1.337 -4.085 5.869 1.00 0.00 H new ATOM 0 HA SER A 59 -0.565 -2.759 7.642 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.287 -1.640 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.045 -3.122 7.931 1.00 0.00 H new ATOM 0 HG SER A 59 2.770 -0.751 7.223 1.00 0.00 H new ATOM 869 N VAL A 60 -0.798 -0.480 6.451 1.00 0.00 N ATOM 870 CA VAL A 60 -1.254 0.635 5.629 1.00 0.00 C ATOM 871 C VAL A 60 -0.655 1.952 6.108 1.00 0.00 C ATOM 872 O VAL A 60 -1.197 2.606 7.001 1.00 0.00 O ATOM 873 CB VAL A 60 -2.790 0.748 5.639 1.00 0.00 C ATOM 874 CG1 VAL A 60 -3.246 1.898 4.755 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.423 -0.562 5.193 1.00 0.00 C ATOM 0 H VAL A 60 -0.970 -0.365 7.450 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.918 0.436 4.611 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.116 0.954 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.334 1.963 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.820 2.831 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.911 1.726 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.509 -0.465 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.092 -0.800 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.122 -1.361 5.871 1.00 0.00 H new ATOM 885 N THR A 61 0.467 2.339 5.509 1.00 0.00 N ATOM 886 CA THR A 61 1.141 3.578 5.874 1.00 0.00 C ATOM 887 C THR A 61 0.512 4.774 5.168 1.00 0.00 C ATOM 888 O THR A 61 0.536 4.867 3.940 1.00 0.00 O ATOM 889 CB THR A 61 2.641 3.524 5.531 1.00 0.00 C ATOM 890 OG1 THR A 61 3.229 2.346 6.092 1.00 0.00 O ATOM 891 CG2 THR A 61 3.362 4.756 6.058 1.00 0.00 C ATOM 0 H THR A 61 0.928 1.811 4.768 1.00 0.00 H new ATOM 0 HA THR A 61 1.027 3.694 6.952 1.00 0.00 H new ATOM 0 HB THR A 61 2.742 3.500 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.183 2.318 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.420 4.695 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.931 5.650 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.252 4.807 7.141 1.00 0.00 H new ATOM 899 N THR A 62 -0.050 5.690 5.951 1.00 0.00 N ATOM 900 CA THR A 62 -0.685 6.881 5.400 1.00 0.00 C ATOM 901 C THR A 62 -0.142 8.146 6.055 1.00 0.00 C ATOM 902 O THR A 62 -0.175 8.287 7.277 1.00 0.00 O ATOM 903 CB THR A 62 -2.213 6.837 5.583 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.544 6.945 6.971 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.790 5.548 5.017 1.00 0.00 C ATOM 0 H THR A 62 -0.078 5.630 6.969 1.00 0.00 H new ATOM 0 HA THR A 62 -0.454 6.899 4.335 1.00 0.00 H new ATOM 0 HB THR A 62 -2.645 7.678 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.809 7.383 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.871 5.540 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.563 5.484 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.351 4.695 5.534 1.00 0.00 H new ATOM 913 N ARG A 63 0.356 9.065 5.234 1.00 0.00 N ATOM 914 CA ARG A 63 0.906 10.319 5.733 1.00 0.00 C ATOM 915 C ARG A 63 0.133 11.511 5.178 1.00 0.00 C ATOM 916 O ARG A 63 0.538 12.118 4.188 1.00 0.00 O ATOM 917 CB ARG A 63 2.385 10.437 5.360 1.00 0.00 C ATOM 918 CG ARG A 63 3.096 11.593 6.043 1.00 0.00 C ATOM 919 CD ARG A 63 2.915 12.892 5.272 1.00 0.00 C ATOM 920 NE ARG A 63 3.914 13.891 5.642 1.00 0.00 N ATOM 921 CZ ARG A 63 4.063 15.050 5.011 1.00 0.00 C ATOM 922 NH1 ARG A 63 3.280 15.355 3.985 1.00 0.00 N ATOM 923 NH2 ARG A 63 4.994 15.908 5.406 1.00 0.00 N ATOM 0 H ARG A 63 0.390 8.964 4.220 1.00 0.00 H new ATOM 0 HA ARG A 63 0.812 10.321 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.891 9.507 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.470 10.557 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.709 11.712 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.158 11.367 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.982 12.691 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.918 13.289 5.460 1.00 0.00 H new ATOM 0 HE ARG A 63 4.531 13.687 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.562 14.699 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.396 16.246 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.597 15.678 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.107 16.798 4.920 1.00 0.00 H new ATOM 937 N GLN A 64 -0.982 11.840 5.823 1.00 0.00 N ATOM 938 CA GLN A 64 -1.812 12.958 5.392 1.00 0.00 C ATOM 939 C GLN A 64 -1.419 14.240 6.120 1.00 0.00 C ATOM 940 O GLN A 64 -1.046 14.210 7.292 1.00 0.00 O ATOM 941 CB GLN A 64 -3.289 12.650 5.640 1.00 0.00 C ATOM 942 CG GLN A 64 -4.196 13.862 5.498 1.00 0.00 C ATOM 943 CD GLN A 64 -4.734 14.027 4.090 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.056 13.706 3.113 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.958 14.528 3.978 1.00 0.00 N ATOM 0 H GLN A 64 -1.331 11.348 6.646 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.653 13.105 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.613 11.880 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.402 12.238 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.030 13.770 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.644 14.759 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.484 14.780 4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.372 14.661 3.055 1.00 0.00 H new ATOM 954 N MET A 65 -1.504 15.365 5.417 1.00 0.00 N ATOM 955 CA MET A 65 -1.158 16.657 5.998 1.00 0.00 C ATOM 956 C MET A 65 -2.224 17.110 6.989 1.00 0.00 C ATOM 957 O MET A 65 -3.354 17.418 6.604 1.00 0.00 O ATOM 958 CB MET A 65 -0.990 17.706 4.897 1.00 0.00 C ATOM 959 CG MET A 65 -0.597 19.078 5.420 1.00 0.00 C ATOM 960 SD MET A 65 0.397 20.012 4.241 1.00 0.00 S ATOM 961 CE MET A 65 1.547 20.832 5.343 1.00 0.00 C ATOM 0 H MET A 65 -1.809 15.408 4.445 1.00 0.00 H new ATOM 0 HA MET A 65 -0.214 16.546 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.232 17.364 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.924 17.792 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.498 19.644 5.658 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.038 18.962 6.349 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.408 21.183 4.775 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.054 21.681 5.816 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.879 20.132 6.109 1.00 0.00 H new ATOM 971 N HIS A 66 -1.859 17.150 8.267 1.00 0.00 N ATOM 972 CA HIS A 66 -2.785 17.567 9.314 1.00 0.00 C ATOM 973 C HIS A 66 -2.184 18.687 10.157 1.00 0.00 C ATOM 974 O HIS A 66 -0.978 18.716 10.398 1.00 0.00 O ATOM 975 CB HIS A 66 -3.148 16.379 10.206 1.00 0.00 C ATOM 976 CG HIS A 66 -4.350 15.619 9.734 1.00 0.00 C ATOM 977 ND1 HIS A 66 -5.281 15.075 10.592 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.770 15.317 8.483 1.00 0.00 C ATOM 979 CE1 HIS A 66 -6.222 14.469 9.891 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.936 14.601 8.608 1.00 0.00 N ATOM 0 H HIS A 66 -0.929 16.899 8.602 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.690 17.942 8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.297 15.700 10.257 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.330 16.738 11.219 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.248 15.132 11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.280 15.588 7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.079 13.953 10.297 1.00 0.00 H new ATOM 989 N ASN A 67 -3.033 19.607 10.602 1.00 0.00 N ATOM 990 CA ASN A 67 -2.585 20.730 11.418 1.00 0.00 C ATOM 991 C ASN A 67 -1.292 21.321 10.865 1.00 0.00 C ATOM 992 O ASN A 67 -0.430 21.772 11.620 1.00 0.00 O ATOM 993 CB ASN A 67 -2.376 20.284 12.867 1.00 0.00 C ATOM 994 CG ASN A 67 -3.651 19.761 13.499 1.00 0.00 C ATOM 995 OD1 ASN A 67 -4.355 18.937 12.915 1.00 0.00 O ATOM 996 ND2 ASN A 67 -3.954 20.240 14.701 1.00 0.00 N ATOM 0 H ASN A 67 -4.035 19.597 10.412 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.357 21.499 11.390 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.612 19.507 12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.001 21.123 13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.800 19.926 15.177 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.341 20.922 15.148 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.162 21.316 9.542 1.00 0.00 N ATOM 1004 CA GLY A 68 0.027 21.855 8.910 1.00 0.00 C ATOM 1005 C GLY A 68 1.303 21.278 9.491 1.00 0.00 C ATOM 1006 O GLY A 68 2.264 22.005 9.745 1.00 0.00 O ATOM 0 H GLY A 68 -1.860 20.948 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.008 21.648 7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.036 22.939 9.025 1.00 0.00 H new ATOM 1010 N THR A 69 1.315 19.965 9.702 1.00 0.00 N ATOM 1011 CA THR A 69 2.481 19.292 10.259 1.00 0.00 C ATOM 1012 C THR A 69 2.719 17.950 9.576 1.00 0.00 C ATOM 1013 O THR A 69 1.847 17.436 8.872 1.00 0.00 O ATOM 1014 CB THR A 69 2.327 19.063 11.775 1.00 0.00 C ATOM 1015 OG1 THR A 69 3.566 18.605 12.329 1.00 0.00 O ATOM 1016 CG2 THR A 69 1.231 18.047 12.061 1.00 0.00 C ATOM 0 H THR A 69 0.530 19.347 9.495 1.00 0.00 H new ATOM 0 HA THR A 69 3.337 19.944 10.082 1.00 0.00 H new ATOM 0 HB THR A 69 2.051 20.011 12.237 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.461 18.463 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.141 17.902 13.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.284 18.412 11.664 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.482 17.098 11.587 1.00 0.00 H new ATOM 1024 N HIS A 70 3.904 17.385 9.787 1.00 0.00 N ATOM 1025 CA HIS A 70 4.254 16.100 9.192 1.00 0.00 C ATOM 1026 C HIS A 70 3.981 14.958 10.166 1.00 0.00 C ATOM 1027 O HIS A 70 4.729 14.750 11.121 1.00 0.00 O ATOM 1028 CB HIS A 70 5.727 16.091 8.778 1.00 0.00 C ATOM 1029 CG HIS A 70 6.637 16.715 9.792 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.308 15.985 10.750 1.00 0.00 N ATOM 1031 CD2 HIS A 70 6.987 18.007 9.990 1.00 0.00 C ATOM 1032 CE1 HIS A 70 8.030 16.802 11.496 1.00 0.00 C ATOM 1033 NE2 HIS A 70 7.854 18.034 11.055 1.00 0.00 N ATOM 0 H HIS A 70 4.637 17.796 10.365 1.00 0.00 H new ATOM 0 HA HIS A 70 3.634 15.956 8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.041 15.062 8.604 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.833 16.621 7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.648 18.858 9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.658 16.512 12.326 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.291 18.870 11.442 1.00 0.00 H new ATOM 1042 N VAL A 71 2.904 14.219 9.916 1.00 0.00 N ATOM 1043 CA VAL A 71 2.532 13.097 10.769 1.00 0.00 C ATOM 1044 C VAL A 71 2.282 11.839 9.945 1.00 0.00 C ATOM 1045 O VAL A 71 1.582 11.875 8.934 1.00 0.00 O ATOM 1046 CB VAL A 71 1.271 13.415 11.596 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.900 12.233 12.479 1.00 0.00 C ATOM 1048 CG2 VAL A 71 1.484 14.668 12.430 1.00 0.00 C ATOM 0 H VAL A 71 2.274 14.378 9.130 1.00 0.00 H new ATOM 0 HA VAL A 71 3.368 12.924 11.446 1.00 0.00 H new ATOM 0 HB VAL A 71 0.444 13.599 10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.007 12.476 13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.703 11.361 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.723 12.015 13.159 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.584 14.878 13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.323 14.515 13.109 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.698 15.511 11.773 1.00 0.00 H new ATOM 1058 N VAL A 72 2.859 10.725 10.386 1.00 0.00 N ATOM 1059 CA VAL A 72 2.698 9.454 9.690 1.00 0.00 C ATOM 1060 C VAL A 72 2.032 8.417 10.587 1.00 0.00 C ATOM 1061 O VAL A 72 2.430 8.228 11.737 1.00 0.00 O ATOM 1062 CB VAL A 72 4.052 8.904 9.206 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.849 7.670 8.340 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.821 9.975 8.449 1.00 0.00 C ATOM 0 H VAL A 72 3.442 10.677 11.222 1.00 0.00 H new ATOM 0 HA VAL A 72 2.062 9.645 8.826 1.00 0.00 H new ATOM 0 HB VAL A 72 4.639 8.614 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.817 7.296 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.341 6.899 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.243 7.930 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.776 9.569 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.240 10.297 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.999 10.827 9.105 1.00 0.00 H new ATOM 1074 N ARG A 73 1.015 7.747 10.056 1.00 0.00 N ATOM 1075 CA ARG A 73 0.293 6.729 10.808 1.00 0.00 C ATOM 1076 C ARG A 73 0.401 5.369 10.126 1.00 0.00 C ATOM 1077 O ARG A 73 0.710 5.282 8.937 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.178 7.122 10.957 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.829 6.576 12.218 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.939 7.490 12.712 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.293 7.220 14.102 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.196 7.919 14.781 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.834 8.924 14.199 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.463 7.611 16.043 1.00 0.00 N ATOM 0 H ARG A 73 0.672 7.891 9.106 1.00 0.00 H new ATOM 0 HA ARG A 73 0.745 6.656 11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.257 8.209 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.731 6.764 10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.234 5.584 12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.076 6.462 12.998 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.624 8.529 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.820 7.363 12.083 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.821 6.452 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.632 9.162 13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.527 9.459 14.722 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.975 6.837 16.493 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.156 8.148 16.563 1.00 0.00 H new ATOM 1098 N HIS A 74 0.146 4.308 10.886 1.00 0.00 N ATOM 1099 CA HIS A 74 0.214 2.951 10.354 1.00 0.00 C ATOM 1100 C HIS A 74 -0.915 2.091 10.914 1.00 0.00 C ATOM 1101 O HIS A 74 -1.142 2.058 12.124 1.00 0.00 O ATOM 1102 CB HIS A 74 1.566 2.319 10.685 1.00 0.00 C ATOM 1103 CG HIS A 74 1.869 2.288 12.152 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.402 1.304 12.997 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.600 3.127 12.923 1.00 0.00 C ATOM 1106 CE1 HIS A 74 1.830 1.540 14.224 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.560 2.640 14.206 1.00 0.00 N ATOM 0 H HIS A 74 -0.110 4.362 11.872 1.00 0.00 H new ATOM 0 HA HIS A 74 0.102 3.005 9.271 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.587 1.301 10.296 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.352 2.872 10.171 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.118 4.014 12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.619 0.936 15.094 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.020 3.060 15.014 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.618 1.397 10.027 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.725 0.539 10.432 1.00 0.00 C ATOM 1118 C TYR A 75 -2.410 -0.926 10.150 1.00 0.00 C ATOM 1119 O TYR A 75 -1.732 -1.252 9.175 1.00 0.00 O ATOM 1120 CB TYR A 75 -4.007 0.945 9.703 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.341 2.414 9.837 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.678 3.371 9.077 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.318 2.846 10.725 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -3.980 4.713 9.198 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.627 4.186 10.852 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.954 5.117 10.086 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.258 6.453 10.209 1.00 0.00 O ATOM 0 H TYR A 75 -1.441 1.412 9.023 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.871 0.661 11.505 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.907 0.699 8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.838 0.355 10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.914 3.060 8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.845 2.121 11.327 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.455 5.443 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.391 4.504 11.546 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.967 6.567 10.876 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.906 -1.808 11.012 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.680 -3.240 10.857 1.00 0.00 C ATOM 1139 C LYS A 76 -3.940 -3.939 10.355 1.00 0.00 C ATOM 1140 O LYS A 76 -5.055 -3.577 10.733 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.240 -3.855 12.188 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.336 -5.064 12.030 1.00 0.00 C ATOM 1143 CD LYS A 76 -2.138 -6.352 11.936 1.00 0.00 C ATOM 1144 CE LYS A 76 -1.288 -7.500 11.414 1.00 0.00 C ATOM 1145 NZ LYS A 76 -0.867 -7.283 10.003 1.00 0.00 N ATOM 0 H LYS A 76 -3.467 -1.556 11.825 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.890 -3.379 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.720 -3.097 12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.125 -4.145 12.755 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.726 -4.948 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.652 -5.121 12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.534 -6.608 12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.993 -6.202 11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.405 -7.613 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.851 -8.430 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.612 -8.195 9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.650 -6.855 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.044 -6.647 9.980 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.756 -4.940 9.501 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.877 -5.690 8.948 1.00 0.00 C ATOM 1161 C VAL A 77 -4.811 -7.159 9.358 1.00 0.00 C ATOM 1162 O VAL A 77 -3.828 -7.847 9.086 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.911 -5.599 7.412 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.042 -6.448 6.851 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.050 -4.151 6.967 1.00 0.00 C ATOM 0 H VAL A 77 -2.840 -5.251 9.177 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.786 -5.243 9.351 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.970 -5.987 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.050 -6.371 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.894 -7.488 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.994 -6.094 7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.072 -4.106 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.975 -3.735 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.203 -3.574 7.337 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.866 -7.631 10.014 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.931 -9.017 10.461 1.00 0.00 C ATOM 1177 C LYS A 78 -6.480 -9.919 9.360 1.00 0.00 C ATOM 1178 O LYS A 78 -7.226 -9.468 8.491 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.805 -9.131 11.711 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.772 -10.508 12.354 1.00 0.00 C ATOM 1181 CD LYS A 78 -8.019 -10.767 13.182 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.907 -10.145 14.566 1.00 0.00 C ATOM 1183 NZ LYS A 78 -7.143 -11.015 15.504 1.00 0.00 N ATOM 0 H LYS A 78 -6.688 -7.074 10.248 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.919 -9.342 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.478 -8.391 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.834 -8.887 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.684 -11.270 11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.889 -10.594 12.988 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.890 -10.360 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.178 -11.841 13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.417 -9.174 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.905 -9.967 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.089 -10.557 16.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.624 -11.932 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.182 -11.164 15.135 1.00 0.00 H new ATOM 1197 N ARG A 79 -6.107 -11.193 9.404 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.563 -12.157 8.409 1.00 0.00 C ATOM 1199 C ARG A 79 -7.517 -13.171 9.033 1.00 0.00 C ATOM 1200 O ARG A 79 -7.102 -14.036 9.804 1.00 0.00 O ATOM 1201 CB ARG A 79 -5.369 -12.882 7.785 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.630 -13.386 6.376 1.00 0.00 C ATOM 1203 CD ARG A 79 -6.556 -14.594 6.380 1.00 0.00 C ATOM 1204 NE ARG A 79 -6.913 -15.012 5.026 1.00 0.00 N ATOM 1205 CZ ARG A 79 -6.072 -15.627 4.202 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -4.833 -15.893 4.589 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -6.472 -15.977 2.986 1.00 0.00 N ATOM 0 H ARG A 79 -5.491 -11.582 10.117 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.096 -11.612 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.514 -12.207 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.096 -13.726 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.073 -12.589 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.685 -13.652 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.072 -15.421 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.462 -14.355 6.937 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.859 -14.821 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.522 -15.625 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.190 -16.365 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.425 -15.774 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.826 -16.449 2.353 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.797 -13.058 8.693 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.811 -13.963 9.221 1.00 0.00 C ATOM 1223 C GLU A 80 -10.742 -14.444 8.113 1.00 0.00 C ATOM 1224 O GLU A 80 -11.615 -13.706 7.657 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.621 -13.273 10.320 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.225 -14.237 11.327 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.615 -13.556 12.625 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -12.462 -12.639 12.585 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.072 -13.940 13.683 1.00 0.00 O ATOM 0 H GLU A 80 -9.156 -12.349 8.054 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.302 -14.829 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.977 -12.568 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.421 -12.693 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.105 -14.709 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.509 -15.031 11.539 1.00 0.00 H new ATOM 1236 N GLY A 81 -10.550 -15.687 7.682 1.00 0.00 N ATOM 1237 CA GLY A 81 -11.379 -16.245 6.630 1.00 0.00 C ATOM 1238 C GLY A 81 -11.114 -15.604 5.282 1.00 0.00 C ATOM 1239 O GLY A 81 -10.048 -15.038 5.039 1.00 0.00 O ATOM 0 H GLY A 81 -9.834 -16.318 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.199 -17.318 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.429 -16.114 6.891 1.00 0.00 H new ATOM 1243 N PRO A 82 -12.101 -15.690 4.377 1.00 0.00 N ATOM 1244 CA PRO A 82 -11.993 -15.120 3.031 1.00 0.00 C ATOM 1245 C PRO A 82 -12.005 -13.595 3.044 1.00 0.00 C ATOM 1246 O PRO A 82 -11.916 -12.955 1.997 1.00 0.00 O ATOM 1247 CB PRO A 82 -13.235 -15.659 2.317 1.00 0.00 C ATOM 1248 CG PRO A 82 -14.213 -15.928 3.409 1.00 0.00 C ATOM 1249 CD PRO A 82 -13.398 -16.350 4.600 1.00 0.00 C ATOM 0 HA PRO A 82 -11.055 -15.392 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.627 -14.934 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.007 -16.566 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.801 -15.038 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.915 -16.710 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.857 -16.029 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.294 -17.434 4.652 1.00 0.00 H new ATOM 1257 N LYS A 83 -12.117 -13.019 4.236 1.00 0.00 N ATOM 1258 CA LYS A 83 -12.140 -11.569 4.387 1.00 0.00 C ATOM 1259 C LYS A 83 -11.089 -11.110 5.392 1.00 0.00 C ATOM 1260 O LYS A 83 -10.670 -11.876 6.260 1.00 0.00 O ATOM 1261 CB LYS A 83 -13.528 -11.105 4.835 1.00 0.00 C ATOM 1262 CG LYS A 83 -14.040 -11.822 6.072 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.535 -11.165 7.345 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.313 -11.639 8.563 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.070 -13.080 8.850 1.00 0.00 N ATOM 0 H LYS A 83 -12.193 -13.535 5.113 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.910 -11.124 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.497 -10.034 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.234 -11.258 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.130 -11.822 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.721 -12.864 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.477 -11.391 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.621 -10.082 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.029 -11.043 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.378 -11.476 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.042 -13.229 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.836 -13.650 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.162 -13.369 8.433 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.669 -9.856 5.271 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.666 -9.296 6.169 1.00 0.00 C ATOM 1281 C TYR A 84 -10.243 -8.134 6.972 1.00 0.00 C ATOM 1282 O TYR A 84 -10.709 -7.144 6.407 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.446 -8.826 5.375 1.00 0.00 C ATOM 1284 CG TYR A 84 -8.112 -9.713 4.196 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -8.012 -11.091 4.345 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.896 -9.172 2.936 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -7.707 -11.904 3.271 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -7.591 -9.978 1.855 1.00 0.00 C ATOM 1289 CZ TYR A 84 -7.498 -11.344 2.029 1.00 0.00 C ATOM 1290 OH TYR A 84 -7.194 -12.149 0.955 1.00 0.00 O ATOM 0 H TYR A 84 -11.007 -9.208 4.560 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.359 -10.078 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.625 -7.812 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.584 -8.782 6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.175 -11.533 5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.967 -8.103 2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.633 -12.973 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.427 -9.542 0.881 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.079 -11.596 0.154 1.00 0.00 H new ATOM 1300 N VAL A 85 -10.207 -8.262 8.295 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.724 -7.223 9.177 1.00 0.00 C ATOM 1302 C VAL A 85 -9.628 -6.236 9.565 1.00 0.00 C ATOM 1303 O VAL A 85 -8.498 -6.630 9.855 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.333 -7.825 10.457 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.836 -6.725 11.379 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -12.453 -8.794 10.109 1.00 0.00 C ATOM 0 H VAL A 85 -9.825 -9.075 8.779 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.503 -6.698 8.625 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.555 -8.378 10.983 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.263 -7.170 12.278 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.006 -6.074 11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.600 -6.141 10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.872 -9.210 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.233 -8.266 9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.057 -9.601 9.492 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.971 -4.952 9.569 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.016 -3.909 9.923 1.00 0.00 C ATOM 1318 C ILE A 86 -8.900 -3.761 11.436 1.00 0.00 C ATOM 1319 O ILE A 86 -9.904 -3.748 12.148 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.415 -2.551 9.314 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.767 -2.715 7.835 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.291 -1.541 9.489 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.360 -1.469 7.213 1.00 0.00 C ATOM 0 H ILE A 86 -10.902 -4.609 9.331 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.052 -4.212 9.515 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.295 -2.179 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.868 -2.994 7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.474 -3.537 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.588 -0.587 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.084 -1.407 10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.394 -1.905 8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.585 -1.658 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.277 -1.201 7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.646 -0.649 7.289 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.669 -3.647 11.921 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.420 -3.497 13.350 1.00 0.00 C ATOM 1337 C ASP A 87 -7.688 -2.064 13.800 1.00 0.00 C ATOM 1338 O ASP A 87 -6.758 -1.288 14.025 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.979 -3.888 13.682 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.779 -5.391 13.712 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.545 -5.978 12.636 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.858 -5.978 14.811 1.00 0.00 O ATOM 0 H ASP A 87 -6.827 -3.656 11.345 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.100 -4.160 13.884 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.307 -3.450 12.944 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.706 -3.469 14.650 1.00 0.00 H new ATOM 1347 N VAL A 88 -8.965 -1.719 13.929 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.356 -0.379 14.351 1.00 0.00 C ATOM 1349 C VAL A 88 -10.569 -0.426 15.274 1.00 0.00 C ATOM 1350 O VAL A 88 -11.111 -1.496 15.547 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.678 0.519 13.143 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.399 1.016 12.489 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.544 -0.228 12.140 1.00 0.00 C ATOM 0 H VAL A 88 -9.747 -2.349 13.747 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.508 0.043 14.891 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.236 1.386 13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.648 1.649 11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.821 1.591 13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.810 0.165 12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.762 0.422 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.014 -1.114 11.791 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.477 -0.528 12.617 1.00 0.00 H new ATOM 1363 N GLU A 89 -10.988 0.742 15.751 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.138 0.833 16.644 1.00 0.00 C ATOM 1365 C GLU A 89 -13.194 -0.205 16.278 1.00 0.00 C ATOM 1366 O GLU A 89 -13.594 -1.019 17.111 1.00 0.00 O ATOM 1367 CB GLU A 89 -12.744 2.236 16.589 1.00 0.00 C ATOM 1368 CG GLU A 89 -11.772 3.336 16.982 1.00 0.00 C ATOM 1369 CD GLU A 89 -12.469 4.550 17.563 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -13.130 4.409 18.613 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -12.354 5.642 16.968 1.00 0.00 O ATOM 0 H GLU A 89 -10.549 1.637 15.535 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.795 0.633 17.659 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.106 2.427 15.579 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.610 2.275 17.250 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.063 2.945 17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.196 3.637 16.107 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.643 -0.169 15.027 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.654 -1.105 14.550 1.00 0.00 C ATOM 1380 C GLN A 90 -14.058 -2.086 13.547 1.00 0.00 C ATOM 1381 O GLN A 90 -13.380 -1.702 12.595 1.00 0.00 O ATOM 1382 CB GLN A 90 -15.819 -0.347 13.911 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.155 -1.061 14.043 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.224 -0.471 13.147 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.291 0.744 12.958 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.068 -1.328 12.586 1.00 0.00 N ATOM 0 H GLN A 90 -13.322 0.499 14.326 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.023 -1.670 15.406 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.896 0.638 14.371 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.603 -0.190 12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.024 -2.115 13.800 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -17.488 -1.012 15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.977 -2.327 12.769 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.807 -0.987 11.972 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.316 -3.385 13.764 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.815 -4.448 12.888 1.00 0.00 C ATOM 1397 C PRO A 91 -14.490 -4.442 11.522 1.00 0.00 C ATOM 1398 O PRO A 91 -15.497 -5.117 11.312 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.163 -5.729 13.651 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.324 -5.356 14.506 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.118 -3.914 14.880 1.00 0.00 C ATOM 0 HA PRO A 91 -12.751 -4.335 12.678 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.418 -6.540 12.968 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.322 -6.072 14.253 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.263 -5.489 13.969 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.373 -5.986 15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.066 -3.385 14.980 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.596 -3.816 15.832 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.929 -3.673 10.593 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.478 -3.578 9.246 1.00 0.00 C ATOM 1411 C PHE A 92 -14.036 -4.764 8.394 1.00 0.00 C ATOM 1412 O PHE A 92 -12.843 -4.998 8.206 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.039 -2.270 8.585 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.382 -2.192 7.124 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.669 -1.884 6.716 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.415 -2.428 6.160 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.986 -1.811 5.372 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.726 -2.356 4.815 1.00 0.00 C ATOM 1419 CZ PHE A 92 -15.014 -2.049 4.420 1.00 0.00 C ATOM 0 H PHE A 92 -13.095 -3.107 10.749 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.565 -3.592 9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.507 -1.434 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.962 -2.156 8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.434 -1.699 7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.407 -2.671 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.993 -1.568 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.963 -2.540 4.073 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.260 -1.995 3.370 1.00 0.00 H new ATOM 1429 N SER A 93 -15.009 -5.511 7.881 1.00 0.00 N ATOM 1430 CA SER A 93 -14.723 -6.676 7.052 1.00 0.00 C ATOM 1431 C SER A 93 -14.342 -6.255 5.635 1.00 0.00 C ATOM 1432 O SER A 93 -14.851 -5.262 5.113 1.00 0.00 O ATOM 1433 CB SER A 93 -15.933 -7.610 7.011 1.00 0.00 C ATOM 1434 OG SER A 93 -17.018 -7.008 6.325 1.00 0.00 O ATOM 0 H SER A 93 -16.002 -5.330 8.025 1.00 0.00 H new ATOM 0 HA SER A 93 -13.879 -7.206 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.660 -8.543 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.236 -7.863 8.027 1.00 0.00 H new ATOM 0 HG SER A 93 -17.779 -7.625 6.311 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.444 -7.016 5.019 1.00 0.00 N ATOM 1441 CA CYS A 94 -12.995 -6.723 3.664 1.00 0.00 C ATOM 1442 C CYS A 94 -12.905 -7.998 2.832 1.00 0.00 C ATOM 1443 O CYS A 94 -12.096 -8.882 3.115 1.00 0.00 O ATOM 1444 CB CYS A 94 -11.634 -6.024 3.696 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.545 -4.632 4.846 1.00 0.00 S ATOM 0 H CYS A 94 -13.013 -7.840 5.437 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.726 -6.060 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.870 -6.753 3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -11.397 -5.669 2.693 1.00 0.00 H new ATOM 0 HG CYS A 94 -12.699 -4.036 4.896 1.00 0.00 H new ATOM 1451 N THR A 95 -13.745 -8.088 1.806 1.00 0.00 N ATOM 1452 CA THR A 95 -13.764 -9.257 0.935 1.00 0.00 C ATOM 1453 C THR A 95 -12.382 -9.532 0.353 1.00 0.00 C ATOM 1454 O THR A 95 -11.987 -10.686 0.187 1.00 0.00 O ATOM 1455 CB THR A 95 -14.768 -9.081 -0.220 1.00 0.00 C ATOM 1456 OG1 THR A 95 -14.478 -10.011 -1.269 1.00 0.00 O ATOM 1457 CG2 THR A 95 -14.721 -7.662 -0.767 1.00 0.00 C ATOM 0 H THR A 95 -14.421 -7.366 1.558 1.00 0.00 H new ATOM 0 HA THR A 95 -14.072 -10.103 1.549 1.00 0.00 H new ATOM 0 HB THR A 95 -15.769 -9.272 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.122 -9.893 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.438 -7.562 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.972 -6.958 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 95 -13.719 -7.448 -1.138 1.00 0.00 H new ATOM 1465 N SER A 96 -11.651 -8.465 0.047 1.00 0.00 N ATOM 1466 CA SER A 96 -10.314 -8.591 -0.519 1.00 0.00 C ATOM 1467 C SER A 96 -9.481 -7.347 -0.229 1.00 0.00 C ATOM 1468 O SER A 96 -9.991 -6.348 0.280 1.00 0.00 O ATOM 1469 CB SER A 96 -10.396 -8.823 -2.030 1.00 0.00 C ATOM 1470 OG SER A 96 -10.551 -10.200 -2.327 1.00 0.00 O ATOM 0 H SER A 96 -11.963 -7.503 0.182 1.00 0.00 H new ATOM 0 HA SER A 96 -9.829 -9.448 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.235 -8.262 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.493 -8.444 -2.509 1.00 0.00 H new ATOM 0 HG SER A 96 -11.034 -10.640 -1.596 1.00 0.00 H new ATOM 1476 N LEU A 97 -8.195 -7.414 -0.555 1.00 0.00 N ATOM 1477 CA LEU A 97 -7.289 -6.293 -0.330 1.00 0.00 C ATOM 1478 C LEU A 97 -7.790 -5.037 -1.034 1.00 0.00 C ATOM 1479 O LEU A 97 -7.557 -3.919 -0.573 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.882 -6.641 -0.823 1.00 0.00 C ATOM 1481 CG LEU A 97 -5.030 -7.487 0.123 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.820 -8.049 -0.608 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.593 -6.665 1.326 1.00 0.00 C ATOM 0 H LEU A 97 -7.756 -8.233 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.254 -6.097 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.972 -7.171 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.350 -5.712 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.635 -8.321 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.225 -8.649 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.153 -8.673 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.214 -7.229 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.987 -7.283 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.005 -5.811 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.473 -6.311 1.864 1.00 0.00 H new ATOM 1495 N ASP A 98 -8.484 -5.228 -2.151 1.00 0.00 N ATOM 1496 CA ASP A 98 -9.022 -4.110 -2.917 1.00 0.00 C ATOM 1497 C ASP A 98 -9.905 -3.227 -2.042 1.00 0.00 C ATOM 1498 O ASP A 98 -9.827 -2.001 -2.103 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.821 -4.625 -4.116 1.00 0.00 C ATOM 1500 CG ASP A 98 -10.461 -5.972 -3.849 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -11.149 -6.110 -2.816 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.275 -6.891 -4.676 1.00 0.00 O ATOM 0 H ASP A 98 -8.687 -6.146 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.186 -3.511 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.596 -3.902 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.162 -4.704 -4.981 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.745 -3.859 -1.230 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.643 -3.131 -0.341 1.00 0.00 C ATOM 1509 C ALA A 99 -10.859 -2.314 0.681 1.00 0.00 C ATOM 1510 O ALA A 99 -11.044 -1.102 0.795 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.586 -4.095 0.362 1.00 0.00 C ATOM 0 H ALA A 99 -10.823 -4.874 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.232 -2.441 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.250 -3.538 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.178 -4.631 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.007 -4.808 0.948 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.985 -2.985 1.423 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.173 -2.322 2.436 1.00 0.00 C ATOM 1519 C VAL A 100 -8.721 -0.945 1.963 1.00 0.00 C ATOM 1520 O VAL A 100 -8.930 0.058 2.646 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.933 -3.160 2.800 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.179 -2.523 3.956 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.336 -4.587 3.136 1.00 0.00 C ATOM 0 H VAL A 100 -9.821 -3.988 1.342 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.800 -2.212 3.321 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.268 -3.188 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.306 -3.129 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.857 -1.521 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.832 -2.462 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.448 -5.165 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.021 -4.582 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.828 -5.038 2.275 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.102 -0.903 0.787 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.622 0.351 0.221 1.00 0.00 C ATOM 1535 C VAL A 101 -8.725 1.403 0.198 1.00 0.00 C ATOM 1536 O VAL A 101 -8.524 2.538 0.626 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.088 0.152 -1.211 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.489 1.446 -1.741 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -6.064 -0.972 -1.245 1.00 0.00 C ATOM 0 H VAL A 101 -7.922 -1.723 0.208 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.809 0.696 0.860 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.921 -0.126 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.117 1.287 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.254 2.223 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.667 1.757 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.697 -1.099 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.231 -0.725 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.529 -1.898 -0.909 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.894 1.016 -0.304 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.030 1.925 -0.382 1.00 0.00 C ATOM 1551 C ASN A 102 -11.489 2.344 1.012 1.00 0.00 C ATOM 1552 O ASN A 102 -11.576 3.534 1.316 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.188 1.265 -1.134 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.983 1.276 -2.637 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.423 2.196 -3.327 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.311 0.253 -3.150 1.00 0.00 N ATOM 0 H ASN A 102 -10.078 0.079 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.713 2.816 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.299 0.236 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.116 1.783 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.141 0.207 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.965 -0.487 -2.540 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.779 1.360 1.854 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.230 1.626 3.215 1.00 0.00 C ATOM 1565 C TYR A 103 -11.401 2.733 3.857 1.00 0.00 C ATOM 1566 O TYR A 103 -11.939 3.641 4.490 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.146 0.354 4.060 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.282 0.604 5.545 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.202 1.050 6.297 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.491 0.396 6.197 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -11.321 1.279 7.654 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -13.621 0.624 7.554 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.533 1.065 8.278 1.00 0.00 C ATOM 1574 OH TYR A 103 -12.656 1.294 9.629 1.00 0.00 O ATOM 0 H TYR A 103 -11.710 0.370 1.619 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.268 1.955 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.929 -0.335 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.192 -0.137 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.252 1.221 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.345 0.050 5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.470 1.624 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.569 0.458 8.044 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.573 1.096 9.912 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.085 2.651 3.688 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.178 3.645 4.250 1.00 0.00 C ATOM 1586 C PHE A 104 -9.306 4.976 3.516 1.00 0.00 C ATOM 1587 O PHE A 104 -9.340 6.039 4.135 1.00 0.00 O ATOM 1588 CB PHE A 104 -7.733 3.147 4.179 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.328 2.312 5.359 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.395 2.825 6.644 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.880 1.012 5.183 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.023 2.058 7.733 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.506 0.240 6.268 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.577 0.764 7.544 1.00 0.00 C ATOM 0 H PHE A 104 -9.623 1.906 3.166 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.451 3.799 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.603 2.562 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.065 4.005 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.742 3.836 6.797 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.822 0.597 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.081 2.470 8.730 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.159 -0.772 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.284 0.163 8.393 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.377 4.909 2.190 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.502 6.107 1.369 1.00 0.00 C ATOM 1606 C VAL A 105 -10.542 7.062 1.945 1.00 0.00 C ATOM 1607 O VAL A 105 -10.306 8.266 2.044 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.891 5.757 -0.080 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.361 6.999 -0.822 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.721 5.106 -0.802 1.00 0.00 C ATOM 0 H VAL A 105 -9.350 4.037 1.662 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.526 6.593 1.369 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.716 5.045 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.631 6.732 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.230 7.419 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.559 7.737 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.013 4.865 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.875 5.794 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.435 4.192 -0.281 1.00 0.00 H new ATOM 1620 N SER A 106 -11.692 6.516 2.326 1.00 0.00 N ATOM 1621 CA SER A 106 -12.771 7.320 2.890 1.00 0.00 C ATOM 1622 C SER A 106 -12.646 7.405 4.408 1.00 0.00 C ATOM 1623 O SER A 106 -12.740 8.488 4.991 1.00 0.00 O ATOM 1624 CB SER A 106 -14.128 6.728 2.511 1.00 0.00 C ATOM 1625 OG SER A 106 -15.182 7.394 3.185 1.00 0.00 O ATOM 0 H SER A 106 -11.901 5.520 2.255 1.00 0.00 H new ATOM 0 HA SER A 106 -12.695 8.327 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.274 6.807 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.147 5.667 2.759 1.00 0.00 H new ATOM 0 HG SER A 106 -16.039 6.997 2.924 1.00 0.00 H new ATOM 1631 N HIS A 107 -12.435 6.258 5.045 1.00 0.00 N ATOM 1632 CA HIS A 107 -12.298 6.202 6.495 1.00 0.00 C ATOM 1633 C HIS A 107 -11.306 7.252 6.988 1.00 0.00 C ATOM 1634 O HIS A 107 -11.674 8.179 7.710 1.00 0.00 O ATOM 1635 CB HIS A 107 -11.844 4.808 6.933 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.672 4.673 8.414 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -12.711 4.823 9.309 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -10.575 4.395 9.157 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.258 4.647 10.538 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -10.966 4.385 10.473 1.00 0.00 N ATOM 0 H HIS A 107 -12.355 5.354 4.579 1.00 0.00 H new ATOM 0 HA HIS A 107 -13.272 6.413 6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.573 4.073 6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.900 4.572 6.443 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.578 4.215 8.784 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.845 4.707 11.442 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.357 4.204 11.271 1.00 0.00 H new ATOM 1649 N THR A 108 -10.046 7.099 6.594 1.00 0.00 N ATOM 1650 CA THR A 108 -9.001 8.031 6.996 1.00 0.00 C ATOM 1651 C THR A 108 -9.534 9.458 7.066 1.00 0.00 C ATOM 1652 O THR A 108 -9.583 10.062 8.138 1.00 0.00 O ATOM 1653 CB THR A 108 -7.805 7.990 6.025 1.00 0.00 C ATOM 1654 OG1 THR A 108 -8.256 8.205 4.683 1.00 0.00 O ATOM 1655 CG2 THR A 108 -7.083 6.653 6.115 1.00 0.00 C ATOM 0 H THR A 108 -9.725 6.338 5.996 1.00 0.00 H new ATOM 0 HA THR A 108 -8.666 7.721 7.986 1.00 0.00 H new ATOM 0 HB THR A 108 -7.109 8.781 6.305 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.411 7.341 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.242 6.646 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.716 6.505 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.773 5.849 5.858 1.00 0.00 H new ATOM 1663 N LYS A 109 -9.933 9.991 5.917 1.00 0.00 N ATOM 1664 CA LYS A 109 -10.465 11.348 5.847 1.00 0.00 C ATOM 1665 C LYS A 109 -11.485 11.475 4.720 1.00 0.00 C ATOM 1666 O LYS A 109 -11.788 10.501 4.030 1.00 0.00 O ATOM 1667 CB LYS A 109 -9.330 12.353 5.638 1.00 0.00 C ATOM 1668 CG LYS A 109 -8.726 12.866 6.933 1.00 0.00 C ATOM 1669 CD LYS A 109 -9.476 14.079 7.457 1.00 0.00 C ATOM 1670 CE LYS A 109 -9.330 15.271 6.524 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.695 16.549 7.195 1.00 0.00 N ATOM 0 H LYS A 109 -9.898 9.505 5.021 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.964 11.565 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.547 11.885 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.706 13.199 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.744 12.075 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.680 13.127 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.532 13.833 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.100 14.341 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.302 15.329 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.963 15.127 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.582 17.337 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.684 16.504 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.074 16.700 8.015 1.00 0.00 H new ATOM 1685 N LYS A 110 -12.010 12.681 4.536 1.00 0.00 N ATOM 1686 CA LYS A 110 -12.994 12.937 3.491 1.00 0.00 C ATOM 1687 C LYS A 110 -12.554 12.319 2.167 1.00 0.00 C ATOM 1688 O LYS A 110 -13.374 11.796 1.413 1.00 0.00 O ATOM 1689 CB LYS A 110 -13.204 14.443 3.318 1.00 0.00 C ATOM 1690 CG LYS A 110 -11.932 15.200 2.977 1.00 0.00 C ATOM 1691 CD LYS A 110 -12.171 16.699 2.931 1.00 0.00 C ATOM 1692 CE LYS A 110 -12.322 17.283 4.327 1.00 0.00 C ATOM 1693 NZ LYS A 110 -12.659 18.733 4.289 1.00 0.00 N ATOM 0 H LYS A 110 -11.770 13.498 5.098 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.935 12.477 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.939 14.611 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.624 14.851 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.164 14.976 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -11.553 14.861 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.340 17.185 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.069 16.908 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.102 16.743 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.395 17.140 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.753 19.093 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.903 19.252 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -13.557 18.868 3.781 1.00 0.00 H new ATOM 1707 N ALA A 111 -11.255 12.381 1.893 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.707 11.825 0.662 1.00 0.00 C ATOM 1709 C ALA A 111 -9.189 11.703 0.743 1.00 0.00 C ATOM 1710 O ALA A 111 -8.501 12.644 1.139 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.108 12.682 -0.529 1.00 0.00 C ATOM 0 H ALA A 111 -10.563 12.811 2.507 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.119 10.824 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.692 12.255 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.195 12.713 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.725 13.694 -0.395 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.673 10.538 0.366 1.00 0.00 N ATOM 1718 CA LEU A 112 -7.236 10.293 0.396 1.00 0.00 C ATOM 1719 C LEU A 112 -6.733 9.825 -0.966 1.00 0.00 C ATOM 1720 O LEU A 112 -7.510 9.354 -1.797 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.899 9.249 1.462 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.519 9.374 2.112 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.469 10.582 3.031 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.173 8.104 2.876 1.00 0.00 C ATOM 0 H LEU A 112 -9.229 9.749 0.036 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.739 11.231 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.654 9.303 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.978 8.260 1.011 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.779 9.513 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.480 10.654 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.671 11.485 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.220 10.475 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.189 8.210 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.917 7.934 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.166 7.257 2.190 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.429 9.957 -1.188 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.823 9.544 -2.448 1.00 0.00 C ATOM 1738 C VAL A 113 -3.887 8.359 -2.245 1.00 0.00 C ATOM 1739 O VAL A 113 -3.003 8.373 -1.389 1.00 0.00 O ATOM 1740 CB VAL A 113 -4.038 10.699 -3.098 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.338 10.224 -4.362 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.963 11.870 -3.398 1.00 0.00 C ATOM 0 H VAL A 113 -4.772 10.347 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.638 9.250 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.277 11.038 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.789 11.053 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.644 9.421 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.079 9.857 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.392 12.677 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.748 11.547 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.412 12.226 -2.471 1.00 0.00 H new ATOM 1752 N PRO A 114 -4.083 7.305 -3.052 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.265 6.091 -2.981 1.00 0.00 C ATOM 1754 C PRO A 114 -1.839 6.323 -3.469 1.00 0.00 C ATOM 1755 O PRO A 114 -1.551 7.325 -4.124 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.995 5.117 -3.909 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.732 5.986 -4.868 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.118 7.219 -4.096 1.00 0.00 C ATOM 0 HA PRO A 114 -3.160 5.730 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.294 4.463 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.677 4.475 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.107 6.241 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.614 5.477 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.123 8.105 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.116 7.128 -3.666 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.948 5.391 -3.146 1.00 0.00 N ATOM 1767 CA PHE A 115 0.448 5.494 -3.551 1.00 0.00 C ATOM 1768 C PHE A 115 0.826 4.360 -4.500 1.00 0.00 C ATOM 1769 O PHE A 115 0.699 3.183 -4.160 1.00 0.00 O ATOM 1770 CB PHE A 115 1.361 5.472 -2.323 1.00 0.00 C ATOM 1771 CG PHE A 115 2.798 5.776 -2.638 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.632 4.792 -3.146 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.314 7.044 -2.427 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.955 5.069 -3.436 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.636 7.326 -2.715 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.457 6.338 -3.222 1.00 0.00 C ATOM 0 H PHE A 115 -1.169 4.555 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 115 0.578 6.441 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.996 6.197 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.300 4.491 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.244 3.799 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.676 7.821 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.596 4.294 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.027 8.318 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.490 6.557 -3.451 1.00 0.00 H new ATOM 1786 N LEU A 116 1.289 4.723 -5.691 1.00 0.00 N ATOM 1787 CA LEU A 116 1.684 3.736 -6.691 1.00 0.00 C ATOM 1788 C LEU A 116 3.084 4.029 -7.220 1.00 0.00 C ATOM 1789 O LEU A 116 3.505 5.185 -7.287 1.00 0.00 O ATOM 1790 CB LEU A 116 0.682 3.721 -7.846 1.00 0.00 C ATOM 1791 CG LEU A 116 1.136 3.009 -9.121 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.539 1.575 -8.815 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.038 3.045 -10.172 1.00 0.00 C ATOM 0 H LEU A 116 1.400 5.692 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 116 1.693 2.756 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.236 3.248 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.434 4.752 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 116 2.006 3.533 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.859 1.083 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.359 1.573 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.688 1.040 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.379 2.534 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.851 2.546 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.202 4.081 -10.412 1.00 0.00 H new ATOM 1805 N LEU A 117 3.801 2.975 -7.597 1.00 0.00 N ATOM 1806 CA LEU A 117 5.153 3.120 -8.124 1.00 0.00 C ATOM 1807 C LEU A 117 5.375 2.195 -9.316 1.00 0.00 C ATOM 1808 O LEU A 117 5.486 0.979 -9.159 1.00 0.00 O ATOM 1809 CB LEU A 117 6.182 2.818 -7.032 1.00 0.00 C ATOM 1810 CG LEU A 117 7.550 3.481 -7.198 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.008 3.404 -8.645 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.503 4.927 -6.727 1.00 0.00 C ATOM 0 H LEU A 117 3.468 2.012 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 117 5.278 4.150 -8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.765 3.125 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.327 1.739 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 117 8.270 2.943 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.983 3.881 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.082 2.360 -8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.287 3.916 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.485 5.383 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.769 5.478 -7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.221 4.958 -5.675 1.00 0.00 H new ATOM 1824 N ASP A 118 5.440 2.779 -10.507 1.00 0.00 N ATOM 1825 CA ASP A 118 5.652 2.008 -11.727 1.00 0.00 C ATOM 1826 C ASP A 118 7.125 1.647 -11.893 1.00 0.00 C ATOM 1827 O ASP A 118 7.460 0.630 -12.501 1.00 0.00 O ATOM 1828 CB ASP A 118 5.166 2.795 -12.945 1.00 0.00 C ATOM 1829 CG ASP A 118 4.922 1.908 -14.148 1.00 0.00 C ATOM 1830 OD1 ASP A 118 5.908 1.516 -14.806 1.00 0.00 O ATOM 1831 OD2 ASP A 118 3.744 1.606 -14.434 1.00 0.00 O ATOM 0 H ASP A 118 5.349 3.784 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 118 5.077 1.085 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.245 3.319 -12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.905 3.555 -13.201 1.00 0.00 H new TER 1836 ASP A 118