USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -25:sc= 1.15 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.65 K(o=2.8,f=-8.8!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.107! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.229 USER MOD Single : A 44 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -143:sc= 0 (180deg=-0.14) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.00523 K(o=0.0052,f=-1.2) USER MOD Single : A 65 SER OG : rot 69:sc= 0.553 USER MOD Single : A 67 THR OG1 : rot -87:sc= 1.52 USER MOD Single : A 68 ASN : amide:sc= -0.0437 K(o=-0.044,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000788) USER MOD Single : A 74 THR OG1 : rot 67:sc= 0.784 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.6) USER MOD Single : A 90 LYS NZ :NH3+ 136:sc= 0.168 (180deg=-0.815) USER MOD Single : A 91 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.11) USER MOD Single : A 95 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.21) USER MOD Single : A 101 SER OG : rot 160:sc= 0.43 USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= 0.876 (180deg=0.808) USER MOD Single : A 107 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.782 K(o=-0.78,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 2.732 -8.190 -15.240 1.00 0.00 N ATOM 2 CA GLY A 29 3.363 -9.486 -15.410 1.00 0.00 C ATOM 3 C GLY A 29 3.517 -10.233 -14.101 1.00 0.00 C ATOM 4 O GLY A 29 2.748 -10.021 -13.164 1.00 0.00 O ATOM 0 HA2 GLY A 29 2.771 -10.087 -16.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.344 -9.352 -15.866 1.00 0.00 H new ATOM 10 N SER A 30 4.514 -11.110 -14.038 1.00 0.00 N ATOM 11 CA SER A 30 4.428 -12.302 -13.200 1.00 0.00 C ATOM 12 C SER A 30 4.803 -11.978 -11.755 1.00 0.00 C ATOM 13 O SER A 30 3.963 -11.543 -10.969 1.00 0.00 O ATOM 14 CB SER A 30 5.327 -13.393 -13.747 1.00 0.00 C ATOM 15 OG SER A 30 6.681 -13.028 -13.715 1.00 0.00 O ATOM 0 H SER A 30 5.388 -11.019 -14.555 1.00 0.00 H new ATOM 0 HA SER A 30 3.397 -12.657 -13.213 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.184 -14.304 -13.167 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.038 -13.620 -14.773 1.00 0.00 H new ATOM 0 HG SER A 30 7.226 -13.759 -14.074 1.00 0.00 H new ATOM 21 N GLU A 31 6.071 -12.194 -11.416 1.00 0.00 N ATOM 22 CA GLU A 31 6.449 -12.516 -10.046 1.00 0.00 C ATOM 23 C GLU A 31 5.627 -13.687 -9.516 1.00 0.00 C ATOM 24 O GLU A 31 5.813 -14.829 -9.936 1.00 0.00 O ATOM 25 CB GLU A 31 6.276 -11.296 -9.140 1.00 0.00 C ATOM 26 CG GLU A 31 7.176 -10.119 -9.491 1.00 0.00 C ATOM 27 CD GLU A 31 8.612 -10.407 -9.148 1.00 0.00 C ATOM 28 OE1 GLU A 31 8.861 -11.401 -8.510 1.00 0.00 O ATOM 29 OE2 GLU A 31 9.468 -9.696 -9.619 1.00 0.00 O ATOM 0 H GLU A 31 6.852 -12.152 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 31 7.500 -12.806 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.237 -10.969 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.472 -11.593 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.091 -9.899 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.843 -9.231 -8.954 1.00 0.00 H new ATOM 36 N GLU A 32 4.719 -13.393 -8.590 1.00 0.00 N ATOM 37 CA GLU A 32 3.392 -14.000 -8.603 1.00 0.00 C ATOM 38 C GLU A 32 3.393 -15.326 -7.848 1.00 0.00 C ATOM 39 O GLU A 32 4.365 -16.081 -7.896 1.00 0.00 O ATOM 40 CB GLU A 32 2.911 -14.210 -10.040 1.00 0.00 C ATOM 41 CG GLU A 32 1.457 -14.646 -10.160 1.00 0.00 C ATOM 42 CD GLU A 32 0.532 -13.639 -9.536 1.00 0.00 C ATOM 43 OE1 GLU A 32 0.618 -12.486 -9.883 1.00 0.00 O ATOM 44 OE2 GLU A 32 -0.335 -14.038 -8.795 1.00 0.00 O ATOM 0 H GLU A 32 4.877 -12.740 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 32 2.705 -13.319 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.046 -13.281 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.543 -14.960 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.200 -14.777 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.324 -15.614 -9.676 1.00 0.00 H new ATOM 51 N LYS A 33 2.298 -15.602 -7.148 1.00 0.00 N ATOM 52 CA LYS A 33 2.020 -16.947 -6.661 1.00 0.00 C ATOM 53 C LYS A 33 0.517 -17.189 -6.554 1.00 0.00 C ATOM 54 O LYS A 33 0.000 -17.464 -5.472 1.00 0.00 O ATOM 55 CB LYS A 33 2.689 -17.174 -5.304 1.00 0.00 C ATOM 56 CG LYS A 33 2.580 -18.599 -4.779 1.00 0.00 C ATOM 57 CD LYS A 33 3.647 -19.497 -5.387 1.00 0.00 C ATOM 58 CE LYS A 33 3.618 -20.888 -4.771 1.00 0.00 C ATOM 59 NZ LYS A 33 4.780 -21.713 -5.205 1.00 0.00 N ATOM 0 H LYS A 33 1.588 -14.911 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 33 2.431 -17.657 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.743 -16.909 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.244 -16.496 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.679 -18.597 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.592 -18.998 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.493 -19.571 -6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.630 -19.051 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.619 -20.804 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.692 -21.390 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.723 -22.653 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.766 -21.815 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.664 -21.248 -4.915 1.00 0.00 H new ATOM 73 N GLU A 34 -0.175 -17.088 -7.684 1.00 0.00 N ATOM 74 CA GLU A 34 -1.442 -17.788 -7.868 1.00 0.00 C ATOM 75 C GLU A 34 -2.432 -16.925 -8.645 1.00 0.00 C ATOM 76 O GLU A 34 -3.589 -16.783 -8.251 1.00 0.00 O ATOM 77 CB GLU A 34 -2.038 -18.187 -6.515 1.00 0.00 C ATOM 78 CG GLU A 34 -3.407 -18.844 -6.602 1.00 0.00 C ATOM 79 CD GLU A 34 -3.903 -19.252 -5.243 1.00 0.00 C ATOM 80 OE1 GLU A 34 -3.202 -19.033 -4.284 1.00 0.00 O ATOM 81 OE2 GLU A 34 -5.029 -19.682 -5.146 1.00 0.00 O ATOM 0 H GLU A 34 0.119 -16.529 -8.485 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.247 -18.692 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.351 -18.871 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.114 -17.298 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.116 -18.153 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.353 -19.719 -7.250 1.00 0.00 H new ATOM 88 N GLU A 35 -1.968 -16.352 -9.751 1.00 0.00 N ATOM 89 CA GLU A 35 -2.858 -15.703 -10.705 1.00 0.00 C ATOM 90 C GLU A 35 -2.090 -15.242 -11.941 1.00 0.00 C ATOM 91 O GLU A 35 -1.054 -14.588 -11.833 1.00 0.00 O ATOM 92 CB GLU A 35 -3.571 -14.517 -10.052 1.00 0.00 C ATOM 93 CG GLU A 35 -4.771 -13.997 -10.832 1.00 0.00 C ATOM 94 CD GLU A 35 -5.841 -15.047 -10.949 1.00 0.00 C ATOM 95 OE1 GLU A 35 -6.230 -15.588 -9.942 1.00 0.00 O ATOM 96 OE2 GLU A 35 -6.351 -15.228 -12.030 1.00 0.00 O ATOM 0 H GLU A 35 -0.981 -16.324 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.605 -16.432 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.901 -14.811 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.856 -13.704 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.176 -13.115 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.454 -13.685 -11.827 1.00 0.00 H new ATOM 103 N LYS A 36 -2.607 -15.591 -13.115 1.00 0.00 N ATOM 104 CA LYS A 36 -1.990 -15.185 -14.371 1.00 0.00 C ATOM 105 C LYS A 36 -2.430 -13.778 -14.764 1.00 0.00 C ATOM 106 O LYS A 36 -2.452 -13.430 -15.944 1.00 0.00 O ATOM 107 CB LYS A 36 -2.337 -16.176 -15.485 1.00 0.00 C ATOM 108 CG LYS A 36 -1.576 -17.493 -15.413 1.00 0.00 C ATOM 109 CD LYS A 36 -1.888 -18.378 -16.612 1.00 0.00 C ATOM 110 CE LYS A 36 -1.123 -19.692 -16.544 1.00 0.00 C ATOM 111 NZ LYS A 36 -1.536 -20.632 -17.622 1.00 0.00 N ATOM 0 H LYS A 36 -3.451 -16.154 -13.222 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.909 -15.181 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.406 -16.385 -15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.137 -15.706 -16.448 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.505 -17.295 -15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.838 -18.017 -14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.959 -18.580 -16.649 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.631 -17.852 -17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.054 -19.494 -16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.288 -20.158 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.992 -21.514 -17.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.551 -20.841 -17.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.355 -20.198 -18.549 1.00 0.00 H new ATOM 125 N LYS A 37 -2.774 -12.972 -13.765 1.00 0.00 N ATOM 126 CA LYS A 37 -3.239 -11.610 -14.007 1.00 0.00 C ATOM 127 C LYS A 37 -3.184 -10.782 -12.727 1.00 0.00 C ATOM 128 O LYS A 37 -3.596 -11.241 -11.661 1.00 0.00 O ATOM 129 CB LYS A 37 -4.660 -11.620 -14.570 1.00 0.00 C ATOM 130 CG LYS A 37 -5.205 -10.242 -14.926 1.00 0.00 C ATOM 131 CD LYS A 37 -4.548 -9.696 -16.185 1.00 0.00 C ATOM 132 CE LYS A 37 -4.960 -8.255 -16.445 1.00 0.00 C ATOM 133 NZ LYS A 37 -4.254 -7.678 -17.620 1.00 0.00 N ATOM 0 H LYS A 37 -2.740 -13.238 -12.781 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.576 -11.152 -14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.680 -12.247 -15.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.324 -12.083 -13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.283 -10.302 -15.073 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.034 -9.555 -14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.464 -9.754 -16.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.824 -10.315 -17.039 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.036 -8.210 -16.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.748 -7.652 -15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.563 -6.695 -17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.228 -7.697 -17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.477 -8.237 -18.468 1.00 0.00 H new ATOM 147 N VAL A 38 -2.673 -9.561 -12.840 1.00 0.00 N ATOM 148 CA VAL A 38 -2.897 -8.541 -11.822 1.00 0.00 C ATOM 149 C VAL A 38 -3.248 -7.199 -12.457 1.00 0.00 C ATOM 150 O VAL A 38 -3.346 -7.086 -13.679 1.00 0.00 O ATOM 151 CB VAL A 38 -1.666 -8.364 -10.915 1.00 0.00 C ATOM 152 CG1 VAL A 38 -1.403 -9.634 -10.122 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.445 -7.990 -11.743 1.00 0.00 C ATOM 0 H VAL A 38 -2.101 -9.253 -13.626 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.735 -8.883 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.868 -7.555 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.529 -9.491 -9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.270 -9.862 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.221 -10.461 -10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.417 -7.869 -11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.241 -8.779 -12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.635 -7.054 -12.269 1.00 0.00 H new ATOM 163 N ARG A 39 -3.434 -6.185 -11.618 1.00 0.00 N ATOM 164 CA ARG A 39 -3.593 -4.818 -12.098 1.00 0.00 C ATOM 165 C ARG A 39 -2.306 -4.021 -11.905 1.00 0.00 C ATOM 166 O ARG A 39 -1.629 -4.156 -10.887 1.00 0.00 O ATOM 167 CB ARG A 39 -4.785 -4.119 -11.461 1.00 0.00 C ATOM 168 CG ARG A 39 -6.111 -4.848 -11.615 1.00 0.00 C ATOM 169 CD ARG A 39 -6.537 -5.050 -13.023 1.00 0.00 C ATOM 170 NE ARG A 39 -6.590 -3.834 -13.818 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.577 -2.920 -13.754 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.613 -3.096 -12.964 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.490 -1.850 -14.525 1.00 0.00 N ATOM 0 H ARG A 39 -3.478 -6.284 -10.604 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.800 -4.871 -13.167 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.583 -3.983 -10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.881 -3.125 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.037 -5.820 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.884 -4.286 -11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.852 -5.751 -13.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.523 -5.515 -13.028 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.825 -3.661 -14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.678 -3.935 -12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.352 -2.394 -12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.690 -1.733 -15.147 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.223 -1.141 -14.498 1.00 0.00 H new ATOM 187 N GLU A 40 -1.977 -3.192 -12.890 1.00 0.00 N ATOM 188 CA GLU A 40 -0.637 -2.627 -12.997 1.00 0.00 C ATOM 189 C GLU A 40 -0.460 -1.460 -12.030 1.00 0.00 C ATOM 190 O GLU A 40 -1.397 -1.070 -11.332 1.00 0.00 O ATOM 191 CB GLU A 40 -0.357 -2.172 -14.430 1.00 0.00 C ATOM 192 CG GLU A 40 -1.172 -0.967 -14.877 1.00 0.00 C ATOM 193 CD GLU A 40 -0.884 -0.614 -16.310 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.072 -1.275 -16.913 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.555 0.242 -16.837 1.00 0.00 O ATOM 0 H GLU A 40 -2.619 -2.897 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 40 0.078 -3.406 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.703 -1.933 -14.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.557 -3.002 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.234 -1.180 -14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.945 -0.114 -14.237 1.00 0.00 H new ATOM 202 N LEU A 41 0.748 -0.908 -11.992 1.00 0.00 N ATOM 203 CA LEU A 41 1.031 0.258 -11.163 1.00 0.00 C ATOM 204 C LEU A 41 0.633 1.544 -11.880 1.00 0.00 C ATOM 205 O LEU A 41 1.425 2.127 -12.619 1.00 0.00 O ATOM 206 CB LEU A 41 2.517 0.294 -10.786 1.00 0.00 C ATOM 207 CG LEU A 41 2.968 -0.795 -9.802 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.612 -2.171 -10.350 1.00 0.00 C ATOM 209 CD2 LEU A 41 4.466 -0.679 -9.565 1.00 0.00 C ATOM 0 H LEU A 41 1.547 -1.249 -12.526 1.00 0.00 H new ATOM 0 HA LEU A 41 0.439 0.181 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.109 0.206 -11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.742 1.269 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 41 2.453 -0.662 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.935 -2.938 -9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.533 -2.239 -10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.112 -2.322 -11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.785 -1.453 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.995 -0.803 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.694 0.302 -9.148 1.00 0.00 H new ATOM 221 N THR A 42 -0.602 1.983 -11.654 1.00 0.00 N ATOM 222 CA THR A 42 -1.095 3.220 -12.249 1.00 0.00 C ATOM 223 C THR A 42 -0.929 4.393 -11.290 1.00 0.00 C ATOM 224 O THR A 42 -0.912 4.233 -10.070 1.00 0.00 O ATOM 225 CB THR A 42 -2.576 3.103 -12.651 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.376 2.877 -11.483 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.776 1.952 -13.626 1.00 0.00 C ATOM 0 H THR A 42 -1.279 1.500 -11.063 1.00 0.00 H new ATOM 0 HA THR A 42 -0.500 3.398 -13.145 1.00 0.00 H new ATOM 0 HB THR A 42 -2.879 4.032 -13.134 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.324 2.963 -11.714 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.829 1.885 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.180 2.126 -14.522 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.463 1.019 -13.157 1.00 0.00 H new ATOM 235 N PRO A 43 -0.805 5.606 -11.855 1.00 0.00 N ATOM 236 CA PRO A 43 -0.740 6.839 -11.067 1.00 0.00 C ATOM 237 C PRO A 43 -1.971 7.033 -10.187 1.00 0.00 C ATOM 238 O PRO A 43 -1.898 7.662 -9.133 1.00 0.00 O ATOM 239 CB PRO A 43 -0.616 7.944 -12.122 1.00 0.00 C ATOM 240 CG PRO A 43 -1.147 7.326 -13.371 1.00 0.00 C ATOM 241 CD PRO A 43 -0.747 5.876 -13.300 1.00 0.00 C ATOM 0 HA PRO A 43 0.093 6.832 -10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.189 8.828 -11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.419 8.262 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.230 7.432 -13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.729 7.806 -14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.430 5.238 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.251 5.709 -13.705 1.00 0.00 H new ATOM 249 N GLN A 44 -3.100 6.488 -10.629 1.00 0.00 N ATOM 250 CA GLN A 44 -4.326 6.530 -9.844 1.00 0.00 C ATOM 251 C GLN A 44 -4.227 5.612 -8.629 1.00 0.00 C ATOM 252 O GLN A 44 -4.531 6.015 -7.508 1.00 0.00 O ATOM 253 CB GLN A 44 -5.529 6.126 -10.701 1.00 0.00 C ATOM 254 CG GLN A 44 -6.863 6.206 -9.979 1.00 0.00 C ATOM 255 CD GLN A 44 -7.207 7.620 -9.552 1.00 0.00 C ATOM 256 OE1 GLN A 44 -7.057 8.570 -10.326 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.666 7.769 -8.316 1.00 0.00 N ATOM 0 H GLN A 44 -3.190 6.012 -11.527 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.465 7.554 -9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.566 6.768 -11.581 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.382 5.106 -11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.649 5.825 -10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.837 5.561 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.774 6.955 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.911 8.697 -7.971 1.00 0.00 H new ATOM 266 N GLU A 45 -3.799 4.375 -8.862 1.00 0.00 N ATOM 267 CA GLU A 45 -3.763 3.367 -7.809 1.00 0.00 C ATOM 268 C GLU A 45 -2.688 3.699 -6.778 1.00 0.00 C ATOM 269 O GLU A 45 -2.795 3.321 -5.609 1.00 0.00 O ATOM 270 CB GLU A 45 -3.516 1.978 -8.402 1.00 0.00 C ATOM 271 CG GLU A 45 -4.723 1.368 -9.099 1.00 0.00 C ATOM 272 CD GLU A 45 -4.400 0.017 -9.672 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.276 -0.406 -9.547 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.302 -0.642 -10.134 1.00 0.00 O ATOM 0 H GLU A 45 -3.472 4.047 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.732 3.366 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.694 2.042 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.195 1.308 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.547 1.277 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.059 2.032 -9.895 1.00 0.00 H new ATOM 281 N LEU A 46 -1.652 4.405 -7.216 1.00 0.00 N ATOM 282 CA LEU A 46 -0.503 4.688 -6.364 1.00 0.00 C ATOM 283 C LEU A 46 -0.744 5.937 -5.523 1.00 0.00 C ATOM 284 O LEU A 46 -0.376 5.986 -4.350 1.00 0.00 O ATOM 285 CB LEU A 46 0.764 4.851 -7.215 1.00 0.00 C ATOM 286 CG LEU A 46 1.211 3.590 -7.966 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.398 3.912 -8.865 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.573 2.503 -6.966 1.00 0.00 C ATOM 0 H LEU A 46 -1.584 4.792 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.364 3.845 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.595 5.647 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.578 5.177 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 46 0.394 3.232 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.709 3.011 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.111 4.676 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.225 4.279 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.890 1.608 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.385 2.851 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.703 2.270 -6.352 1.00 0.00 H new ATOM 300 N GLU A 47 -1.364 6.944 -6.130 1.00 0.00 N ATOM 301 CA GLU A 47 -1.629 8.203 -5.444 1.00 0.00 C ATOM 302 C GLU A 47 -2.712 8.025 -4.383 1.00 0.00 C ATOM 303 O GLU A 47 -2.600 8.547 -3.273 1.00 0.00 O ATOM 304 CB GLU A 47 -2.042 9.283 -6.447 1.00 0.00 C ATOM 305 CG GLU A 47 -0.897 9.830 -7.288 1.00 0.00 C ATOM 306 CD GLU A 47 -1.401 10.762 -8.353 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.594 10.922 -8.461 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.594 11.402 -8.986 1.00 0.00 O ATOM 0 H GLU A 47 -1.692 6.912 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.711 8.519 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.802 8.873 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.505 10.108 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.190 10.356 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.355 9.005 -7.750 1.00 0.00 H new ATOM 315 N LEU A 48 -3.759 7.288 -4.734 1.00 0.00 N ATOM 316 CA LEU A 48 -4.844 7.009 -3.799 1.00 0.00 C ATOM 317 C LEU A 48 -4.355 6.158 -2.632 1.00 0.00 C ATOM 318 O LEU A 48 -4.922 6.197 -1.541 1.00 0.00 O ATOM 319 CB LEU A 48 -5.991 6.295 -4.518 1.00 0.00 C ATOM 320 CG LEU A 48 -5.811 4.794 -4.743 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.078 4.026 -3.458 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.727 4.308 -5.857 1.00 0.00 C ATOM 0 H LEU A 48 -3.880 6.873 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.203 7.960 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.905 6.449 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.139 6.772 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.779 4.612 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.945 2.959 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.381 4.354 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.100 4.214 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.585 3.237 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.765 4.503 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.488 4.835 -6.781 1.00 0.00 H new ATOM 334 N PHE A 49 -3.294 5.393 -2.869 1.00 0.00 N ATOM 335 CA PHE A 49 -2.687 4.581 -1.822 1.00 0.00 C ATOM 336 C PHE A 49 -2.076 5.464 -0.736 1.00 0.00 C ATOM 337 O PHE A 49 -2.453 5.379 0.434 1.00 0.00 O ATOM 338 CB PHE A 49 -1.623 3.654 -2.411 1.00 0.00 C ATOM 339 CG PHE A 49 -0.920 2.810 -1.386 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.467 1.605 -0.965 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.288 3.216 -0.838 1.00 0.00 C ATOM 342 CE1 PHE A 49 -0.821 0.828 -0.022 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.936 2.441 0.103 1.00 0.00 C ATOM 344 CZ PHE A 49 0.380 1.245 0.512 1.00 0.00 C ATOM 0 H PHE A 49 -2.837 5.319 -3.778 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.470 3.972 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.091 3.000 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.885 4.255 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.407 1.271 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.728 4.151 -1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.257 -0.107 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.877 2.770 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.885 0.637 1.249 1.00 0.00 H new ATOM 354 N LYS A 50 -1.132 6.310 -1.131 1.00 0.00 N ATOM 355 CA LYS A 50 -0.495 7.235 -0.203 1.00 0.00 C ATOM 356 C LYS A 50 -1.500 8.259 0.321 1.00 0.00 C ATOM 357 O LYS A 50 -1.343 8.788 1.421 1.00 0.00 O ATOM 358 CB LYS A 50 0.682 7.945 -0.874 1.00 0.00 C ATOM 359 CG LYS A 50 0.288 8.876 -2.013 1.00 0.00 C ATOM 360 CD LYS A 50 1.504 9.574 -2.603 1.00 0.00 C ATOM 361 CE LYS A 50 1.103 10.567 -3.683 1.00 0.00 C ATOM 362 NZ LYS A 50 2.284 11.249 -4.279 1.00 0.00 N ATOM 0 H LYS A 50 -0.791 6.374 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.119 6.658 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.221 8.520 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.373 7.194 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.220 8.307 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.420 9.620 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.047 10.093 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.184 8.832 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.551 10.048 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.430 11.312 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.967 11.917 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.797 11.766 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.914 10.541 -4.707 1.00 0.00 H new ATOM 376 N ARG A 51 -2.528 8.530 -0.475 1.00 0.00 N ATOM 377 CA ARG A 51 -3.635 9.370 -0.033 1.00 0.00 C ATOM 378 C ARG A 51 -4.395 8.708 1.114 1.00 0.00 C ATOM 379 O ARG A 51 -4.740 9.358 2.100 1.00 0.00 O ATOM 380 CB ARG A 51 -4.565 9.748 -1.178 1.00 0.00 C ATOM 381 CG ARG A 51 -5.684 10.706 -0.803 1.00 0.00 C ATOM 382 CD ARG A 51 -6.539 11.124 -1.943 1.00 0.00 C ATOM 383 NE ARG A 51 -7.606 12.047 -1.590 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.518 12.529 -2.456 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.477 12.212 -3.730 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.444 13.352 -1.994 1.00 0.00 N ATOM 0 H ARG A 51 -2.618 8.181 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.208 10.301 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.973 10.198 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.006 8.838 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.312 10.234 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.248 11.594 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.909 11.589 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.979 10.235 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.668 12.351 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.746 11.591 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.176 12.586 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.454 13.605 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.148 13.733 -2.626 1.00 0.00 H new ATOM 400 N ALA A 52 -4.653 7.411 0.973 1.00 0.00 N ATOM 401 CA ALA A 52 -5.413 6.672 1.974 1.00 0.00 C ATOM 402 C ALA A 52 -4.591 6.464 3.242 1.00 0.00 C ATOM 403 O ALA A 52 -5.120 6.518 4.352 1.00 0.00 O ATOM 404 CB ALA A 52 -5.866 5.334 1.410 1.00 0.00 C ATOM 0 H ALA A 52 -4.347 6.852 0.177 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.293 7.260 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.432 4.793 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.497 5.502 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.994 4.747 1.120 1.00 0.00 H new ATOM 410 N MET A 53 -3.296 6.223 3.069 1.00 0.00 N ATOM 411 CA MET A 53 -2.413 5.946 4.195 1.00 0.00 C ATOM 412 C MET A 53 -2.078 7.228 4.953 1.00 0.00 C ATOM 413 O MET A 53 -1.552 7.185 6.063 1.00 0.00 O ATOM 414 CB MET A 53 -1.133 5.267 3.711 1.00 0.00 C ATOM 415 CG MET A 53 -1.334 3.859 3.167 1.00 0.00 C ATOM 416 SD MET A 53 -1.883 2.698 4.433 1.00 0.00 S ATOM 417 CE MET A 53 -2.112 1.215 3.456 1.00 0.00 C ATOM 0 H MET A 53 -2.835 6.214 2.159 1.00 0.00 H new ATOM 0 HA MET A 53 -2.932 5.273 4.877 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.682 5.883 2.933 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.423 5.226 4.537 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.068 3.886 2.361 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.399 3.504 2.734 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.980 0.668 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.270 1.488 2.412 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.226 0.586 3.537 1.00 0.00 H new ATOM 427 N GLY A 54 -2.389 8.368 4.342 1.00 0.00 N ATOM 428 CA GLY A 54 -2.119 9.645 4.977 1.00 0.00 C ATOM 429 C GLY A 54 -0.644 9.994 4.976 1.00 0.00 C ATOM 430 O GLY A 54 -0.151 10.631 5.907 1.00 0.00 O ATOM 0 H GLY A 54 -2.822 8.430 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.675 10.428 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.482 9.620 6.004 1.00 0.00 H new ATOM 434 N ILE A 55 0.060 9.573 3.932 1.00 0.00 N ATOM 435 CA ILE A 55 1.514 9.684 3.896 1.00 0.00 C ATOM 436 C ILE A 55 1.949 11.123 3.638 1.00 0.00 C ATOM 437 O ILE A 55 1.540 11.741 2.655 1.00 0.00 O ATOM 438 CB ILE A 55 2.123 8.770 2.818 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.801 7.304 3.115 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.628 8.980 2.732 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.246 6.349 2.031 1.00 0.00 C ATOM 0 H ILE A 55 -0.352 9.152 3.099 1.00 0.00 H new ATOM 0 HA ILE A 55 1.879 9.368 4.873 1.00 0.00 H new ATOM 0 HB ILE A 55 1.683 9.030 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.277 7.020 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.726 7.200 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.043 8.326 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.836 10.019 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.084 8.746 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.983 5.330 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.750 6.605 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.326 6.423 1.902 1.00 0.00 H new ATOM 453 N THR A 56 2.782 11.653 4.529 1.00 0.00 N ATOM 454 CA THR A 56 3.273 13.018 4.399 1.00 0.00 C ATOM 455 C THR A 56 4.706 13.038 3.880 1.00 0.00 C ATOM 456 O THR A 56 5.445 12.058 3.982 1.00 0.00 O ATOM 457 CB THR A 56 3.211 13.771 5.740 1.00 0.00 C ATOM 458 OG1 THR A 56 4.148 13.193 6.659 1.00 0.00 O ATOM 459 CG2 THR A 56 1.813 13.694 6.332 1.00 0.00 C ATOM 0 H THR A 56 3.130 11.156 5.349 1.00 0.00 H new ATOM 0 HA THR A 56 2.623 13.520 3.683 1.00 0.00 H new ATOM 0 HB THR A 56 3.462 14.817 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.310 12.257 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.789 14.232 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.100 14.144 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.546 12.651 6.500 1.00 0.00 H new ATOM 467 N PRO A 57 5.114 14.181 3.309 1.00 0.00 N ATOM 468 CA PRO A 57 6.489 14.389 2.843 1.00 0.00 C ATOM 469 C PRO A 57 7.507 14.260 3.969 1.00 0.00 C ATOM 470 O PRO A 57 8.700 14.081 3.724 1.00 0.00 O ATOM 471 CB PRO A 57 6.468 15.803 2.254 1.00 0.00 C ATOM 472 CG PRO A 57 5.290 16.455 2.893 1.00 0.00 C ATOM 473 CD PRO A 57 4.266 15.362 3.052 1.00 0.00 C ATOM 0 HA PRO A 57 6.795 13.636 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.389 16.340 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.369 15.780 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.556 16.888 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.906 17.266 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.582 15.561 3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.657 15.240 2.156 1.00 0.00 H new ATOM 481 N HIS A 58 7.030 14.351 5.206 1.00 0.00 N ATOM 482 CA HIS A 58 7.880 14.132 6.372 1.00 0.00 C ATOM 483 C HIS A 58 8.255 12.659 6.500 1.00 0.00 C ATOM 484 O HIS A 58 9.401 12.324 6.799 1.00 0.00 O ATOM 485 CB HIS A 58 7.183 14.610 7.649 1.00 0.00 C ATOM 486 CG HIS A 58 7.053 16.099 7.743 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.145 16.936 7.851 1.00 0.00 N ATOM 488 CD2 HIS A 58 5.962 16.901 7.743 1.00 0.00 C ATOM 489 CE1 HIS A 58 7.730 18.189 7.914 1.00 0.00 C ATOM 490 NE2 HIS A 58 6.410 18.194 7.852 1.00 0.00 N ATOM 0 H HIS A 58 6.060 14.575 5.427 1.00 0.00 H new ATOM 0 HA HIS A 58 8.792 14.712 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.190 14.164 7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.739 14.247 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.932 16.583 7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.362 19.060 8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.819 19.025 7.881 1.00 0.00 H new ATOM 498 N ASN A 59 7.283 11.783 6.272 1.00 0.00 N ATOM 499 CA ASN A 59 7.497 10.347 6.415 1.00 0.00 C ATOM 500 C ASN A 59 7.292 9.632 5.083 1.00 0.00 C ATOM 501 O ASN A 59 7.059 8.422 5.044 1.00 0.00 O ATOM 502 CB ASN A 59 6.592 9.752 7.478 1.00 0.00 C ATOM 503 CG ASN A 59 5.127 9.893 7.174 1.00 0.00 C ATOM 504 OD1 ASN A 59 4.733 10.559 6.208 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.314 9.339 8.037 1.00 0.00 N ATOM 0 H ASN A 59 6.338 12.042 5.987 1.00 0.00 H new ATOM 0 HA ASN A 59 8.529 10.202 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.830 8.695 7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.804 10.233 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.305 9.447 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.689 8.799 8.817 1.00 0.00 H new ATOM 512 N TYR A 60 7.382 10.385 3.993 1.00 0.00 N ATOM 513 CA TYR A 60 7.233 9.819 2.656 1.00 0.00 C ATOM 514 C TYR A 60 8.370 8.848 2.349 1.00 0.00 C ATOM 515 O TYR A 60 8.137 7.721 1.913 1.00 0.00 O ATOM 516 CB TYR A 60 7.187 10.929 1.604 1.00 0.00 C ATOM 517 CG TYR A 60 6.991 10.426 0.191 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.728 10.104 -0.282 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.070 10.278 -0.668 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.542 9.646 -1.571 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.898 9.820 -1.957 1.00 0.00 C ATOM 522 CZ TYR A 60 6.631 9.504 -2.407 1.00 0.00 C ATOM 523 OH TYR A 60 6.453 9.049 -3.692 1.00 0.00 O ATOM 0 H TYR A 60 7.558 11.390 4.008 1.00 0.00 H new ATOM 0 HA TYR A 60 6.292 9.269 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.378 11.616 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.115 11.499 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.874 10.214 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.062 10.526 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.551 9.400 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.750 9.709 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 60 7.320 9.008 -4.147 1.00 0.00 H new ATOM 533 N TRP A 61 9.600 9.296 2.576 1.00 0.00 N ATOM 534 CA TRP A 61 10.773 8.468 2.324 1.00 0.00 C ATOM 535 C TRP A 61 10.759 7.220 3.200 1.00 0.00 C ATOM 536 O TRP A 61 11.305 6.183 2.826 1.00 0.00 O ATOM 537 CB TRP A 61 12.055 9.268 2.568 1.00 0.00 C ATOM 538 CG TRP A 61 12.279 9.614 4.008 1.00 0.00 C ATOM 539 CD1 TRP A 61 11.841 10.730 4.655 1.00 0.00 C ATOM 540 CD2 TRP A 61 12.993 8.840 4.979 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.240 10.702 5.970 1.00 0.00 N ATOM 542 CE2 TRP A 61 12.948 9.548 6.193 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.668 7.613 4.938 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.548 9.079 7.351 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.269 7.142 6.099 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.209 7.853 7.271 1.00 0.00 C ATOM 0 H TRP A 61 9.810 10.228 2.934 1.00 0.00 H new ATOM 0 HA TRP A 61 10.746 8.155 1.280 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.907 8.694 2.204 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.017 10.187 1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.264 11.522 4.201 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.042 11.421 6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.720 7.044 4.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.506 9.638 8.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.793 6.198 6.078 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.686 7.453 8.154 1.00 0.00 H new ATOM 557 N GLN A 62 10.131 7.328 4.365 1.00 0.00 N ATOM 558 CA GLN A 62 9.998 6.192 5.270 1.00 0.00 C ATOM 559 C GLN A 62 9.070 5.134 4.684 1.00 0.00 C ATOM 560 O GLN A 62 9.383 3.944 4.701 1.00 0.00 O ATOM 561 CB GLN A 62 9.469 6.649 6.633 1.00 0.00 C ATOM 562 CG GLN A 62 10.458 7.471 7.441 1.00 0.00 C ATOM 563 CD GLN A 62 9.878 7.943 8.761 1.00 0.00 C ATOM 564 OE1 GLN A 62 8.701 7.714 9.054 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.700 8.608 9.565 1.00 0.00 N ATOM 0 H GLN A 62 9.706 8.190 4.705 1.00 0.00 H new ATOM 0 HA GLN A 62 10.987 5.753 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.564 7.237 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.184 5.771 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.350 6.875 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.771 8.335 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.666 8.775 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.365 8.952 10.465 1.00 0.00 H new ATOM 574 N TRP A 63 7.931 5.576 4.167 1.00 0.00 N ATOM 575 CA TRP A 63 7.014 4.685 3.464 1.00 0.00 C ATOM 576 C TRP A 63 7.634 4.178 2.167 1.00 0.00 C ATOM 577 O TRP A 63 7.420 3.033 1.772 1.00 0.00 O ATOM 578 CB TRP A 63 5.697 5.405 3.166 1.00 0.00 C ATOM 579 CG TRP A 63 4.674 5.243 4.249 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.499 6.049 5.339 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.686 4.210 4.349 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.462 5.580 6.108 1.00 0.00 N ATOM 583 CE2 TRP A 63 2.947 4.454 5.522 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.354 3.106 3.560 1.00 0.00 C ATOM 585 CZ2 TRP A 63 1.897 3.631 5.923 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.313 2.291 3.958 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.593 2.557 5.131 1.00 0.00 C ATOM 0 H TRP A 63 7.619 6.546 4.221 1.00 0.00 H new ATOM 0 HA TRP A 63 6.814 3.829 4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.896 6.467 3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.288 5.026 2.230 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.089 6.925 5.563 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.129 6.002 6.975 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.902 2.894 2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.342 3.833 6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.049 1.434 3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.783 1.902 5.415 1.00 0.00 H new ATOM 598 N ALA A 64 8.404 5.038 1.510 1.00 0.00 N ATOM 599 CA ALA A 64 9.056 4.677 0.256 1.00 0.00 C ATOM 600 C ALA A 64 10.014 3.508 0.454 1.00 0.00 C ATOM 601 O ALA A 64 10.250 2.723 -0.466 1.00 0.00 O ATOM 602 CB ALA A 64 9.794 5.876 -0.320 1.00 0.00 C ATOM 0 H ALA A 64 8.592 5.990 1.824 1.00 0.00 H new ATOM 0 HA ALA A 64 8.286 4.366 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.276 5.592 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.086 6.683 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.550 6.213 0.389 1.00 0.00 H new ATOM 608 N SER A 65 10.565 3.397 1.659 1.00 0.00 N ATOM 609 CA SER A 65 11.525 2.343 1.966 1.00 0.00 C ATOM 610 C SER A 65 10.825 0.995 2.113 1.00 0.00 C ATOM 611 O SER A 65 11.323 -0.030 1.647 1.00 0.00 O ATOM 612 CB SER A 65 12.290 2.684 3.229 1.00 0.00 C ATOM 613 OG SER A 65 13.093 3.821 3.069 1.00 0.00 O ATOM 0 H SER A 65 10.363 4.024 2.438 1.00 0.00 H new ATOM 0 HA SER A 65 12.230 2.269 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.586 2.850 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.914 1.837 3.514 1.00 0.00 H new ATOM 0 HG SER A 65 12.524 4.614 2.985 1.00 0.00 H new ATOM 619 N ARG A 66 9.666 1.006 2.764 1.00 0.00 N ATOM 620 CA ARG A 66 8.963 -0.229 3.092 1.00 0.00 C ATOM 621 C ARG A 66 8.126 -0.708 1.907 1.00 0.00 C ATOM 622 O ARG A 66 7.866 -1.902 1.760 1.00 0.00 O ATOM 623 CB ARG A 66 8.124 -0.096 4.353 1.00 0.00 C ATOM 624 CG ARG A 66 6.864 0.741 4.199 1.00 0.00 C ATOM 625 CD ARG A 66 5.845 0.515 5.256 1.00 0.00 C ATOM 626 NE ARG A 66 6.329 0.714 6.612 1.00 0.00 N ATOM 627 CZ ARG A 66 6.355 1.901 7.249 1.00 0.00 C ATOM 628 NH1 ARG A 66 5.962 3.001 6.645 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.810 1.934 8.488 1.00 0.00 N ATOM 0 H ARG A 66 9.194 1.855 3.074 1.00 0.00 H new ATOM 0 HA ARG A 66 9.718 -0.987 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.841 -1.093 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.741 0.343 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.141 1.795 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.417 0.527 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.004 1.186 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.465 -0.503 5.165 1.00 0.00 H new ATOM 0 HE ARG A 66 6.673 -0.103 7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.631 2.963 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.988 3.892 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.130 1.076 8.937 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.842 2.818 8.996 1.00 0.00 H new ATOM 643 N THR A 67 7.710 0.233 1.066 1.00 0.00 N ATOM 644 CA THR A 67 6.854 -0.084 -0.072 1.00 0.00 C ATOM 645 C THR A 67 7.683 -0.386 -1.315 1.00 0.00 C ATOM 646 O THR A 67 7.139 -0.598 -2.398 1.00 0.00 O ATOM 647 CB THR A 67 5.879 1.066 -0.383 1.00 0.00 C ATOM 648 OG1 THR A 67 6.619 2.259 -0.675 1.00 0.00 O ATOM 649 CG2 THR A 67 4.960 1.322 0.801 1.00 0.00 C ATOM 0 H THR A 67 7.951 1.220 1.151 1.00 0.00 H new ATOM 0 HA THR A 67 6.280 -0.969 0.202 1.00 0.00 H new ATOM 0 HB THR A 67 5.274 0.785 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.817 2.734 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.278 2.138 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.386 0.421 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.556 1.591 1.673 1.00 0.00 H new ATOM 657 N ASN A 68 9.002 -0.404 -1.152 1.00 0.00 N ATOM 658 CA ASN A 68 9.908 -0.618 -2.275 1.00 0.00 C ATOM 659 C ASN A 68 9.620 0.371 -3.402 1.00 0.00 C ATOM 660 O ASN A 68 9.330 -0.026 -4.529 1.00 0.00 O ATOM 661 CB ASN A 68 9.828 -2.044 -2.791 1.00 0.00 C ATOM 662 CG ASN A 68 10.961 -2.420 -3.705 1.00 0.00 C ATOM 663 OD1 ASN A 68 12.043 -1.823 -3.665 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.691 -3.351 -4.585 1.00 0.00 N ATOM 0 H ASN A 68 9.467 -0.273 -0.254 1.00 0.00 H new ATOM 0 HA ASN A 68 10.922 -0.448 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.815 -2.728 -1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.885 -2.177 -3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.390 -3.614 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.782 -3.814 -4.575 1.00 0.00 H new ATOM 671 N ASN A 69 9.704 1.660 -3.086 1.00 0.00 N ATOM 672 CA ASN A 69 9.440 2.705 -4.069 1.00 0.00 C ATOM 673 C ASN A 69 7.985 2.673 -4.522 1.00 0.00 C ATOM 674 O ASN A 69 7.675 2.965 -5.677 1.00 0.00 O ATOM 675 CB ASN A 69 10.367 2.589 -5.265 1.00 0.00 C ATOM 676 CG ASN A 69 10.531 3.874 -6.029 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.425 4.971 -5.470 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.709 3.744 -7.319 1.00 0.00 N ATOM 0 H ASN A 69 9.952 2.005 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 69 9.632 3.663 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.346 2.252 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.983 1.823 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.766 4.572 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.791 2.815 -7.731 1.00 0.00 H new ATOM 685 N PHE A 70 7.092 2.317 -3.602 1.00 0.00 N ATOM 686 CA PHE A 70 5.663 2.292 -3.893 1.00 0.00 C ATOM 687 C PHE A 70 5.377 1.464 -5.143 1.00 0.00 C ATOM 688 O PHE A 70 4.517 1.814 -5.950 1.00 0.00 O ATOM 689 CB PHE A 70 5.127 3.714 -4.068 1.00 0.00 C ATOM 690 CG PHE A 70 5.183 4.541 -2.815 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.215 4.404 -1.831 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.205 5.457 -2.616 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.264 5.164 -0.679 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.258 6.218 -1.463 1.00 0.00 C ATOM 695 CZ PHE A 70 5.287 6.072 -0.495 1.00 0.00 C ATOM 0 H PHE A 70 7.333 2.042 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 70 5.154 1.827 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.700 4.215 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.094 3.663 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.413 3.694 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.968 5.577 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.502 5.048 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.060 6.927 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.327 6.667 0.405 1.00 0.00 H new ATOM 705 N LYS A 71 6.106 0.364 -5.294 1.00 0.00 N ATOM 706 CA LYS A 71 5.829 -0.596 -6.356 1.00 0.00 C ATOM 707 C LYS A 71 4.789 -1.619 -5.908 1.00 0.00 C ATOM 708 O LYS A 71 5.125 -2.634 -5.298 1.00 0.00 O ATOM 709 CB LYS A 71 7.113 -1.306 -6.788 1.00 0.00 C ATOM 710 CG LYS A 71 8.196 -0.377 -7.322 1.00 0.00 C ATOM 711 CD LYS A 71 7.751 0.312 -8.604 1.00 0.00 C ATOM 712 CE LYS A 71 7.649 -0.676 -9.756 1.00 0.00 C ATOM 713 NZ LYS A 71 8.986 -1.035 -10.302 1.00 0.00 N ATOM 0 H LYS A 71 6.893 0.115 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 71 5.428 -0.047 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.512 -1.859 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.868 -2.038 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.439 0.373 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.106 -0.946 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.784 0.790 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.459 1.101 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.142 -1.579 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.037 -0.246 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.870 -1.697 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.467 -0.175 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.556 -1.484 -9.557 1.00 0.00 H new ATOM 727 N LEU A 72 3.525 -1.343 -6.215 1.00 0.00 N ATOM 728 CA LEU A 72 2.416 -2.091 -5.633 1.00 0.00 C ATOM 729 C LEU A 72 1.595 -2.779 -6.719 1.00 0.00 C ATOM 730 O LEU A 72 1.229 -2.162 -7.720 1.00 0.00 O ATOM 731 CB LEU A 72 1.528 -1.162 -4.797 1.00 0.00 C ATOM 732 CG LEU A 72 2.263 -0.349 -3.724 1.00 0.00 C ATOM 733 CD1 LEU A 72 1.342 0.725 -3.160 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.744 -1.280 -2.621 1.00 0.00 C ATOM 0 H LEU A 72 3.244 -0.607 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 72 2.828 -2.861 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.019 -0.471 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.757 -1.761 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 72 3.128 0.143 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.873 1.297 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.028 1.393 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.465 0.255 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.266 -0.702 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.888 -1.784 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.422 -2.022 -3.042 1.00 0.00 H new ATOM 746 N LEU A 73 1.307 -4.059 -6.513 1.00 0.00 N ATOM 747 CA LEU A 73 0.396 -4.788 -7.390 1.00 0.00 C ATOM 748 C LEU A 73 -0.874 -5.190 -6.643 1.00 0.00 C ATOM 749 O LEU A 73 -0.862 -5.358 -5.423 1.00 0.00 O ATOM 750 CB LEU A 73 1.093 -6.026 -7.968 1.00 0.00 C ATOM 751 CG LEU A 73 2.242 -5.734 -8.941 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.073 -6.990 -9.159 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.674 -5.228 -10.260 1.00 0.00 C ATOM 0 H LEU A 73 1.690 -4.614 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 73 0.111 -4.130 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.480 -6.624 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.349 -6.635 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 73 2.890 -4.966 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.886 -6.773 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.486 -7.323 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.443 -7.776 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.490 -5.020 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.019 -5.986 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.106 -4.315 -10.085 1.00 0.00 H new ATOM 765 N THR A 74 -1.966 -5.346 -7.385 1.00 0.00 N ATOM 766 CA THR A 74 -3.249 -5.695 -6.790 1.00 0.00 C ATOM 767 C THR A 74 -4.212 -6.234 -7.840 1.00 0.00 C ATOM 768 O THR A 74 -4.045 -5.989 -9.036 1.00 0.00 O ATOM 769 CB THR A 74 -3.894 -4.487 -6.086 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.096 -4.902 -5.424 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.227 -3.397 -7.095 1.00 0.00 C ATOM 0 H THR A 74 -1.987 -5.236 -8.399 1.00 0.00 H new ATOM 0 HA THR A 74 -3.052 -6.470 -6.049 1.00 0.00 H new ATOM 0 HB THR A 74 -3.187 -4.091 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.871 -5.508 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.682 -2.551 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.314 -3.070 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.924 -3.788 -7.836 1.00 0.00 H new ATOM 779 N ASP A 75 -5.224 -6.967 -7.389 1.00 0.00 N ATOM 780 CA ASP A 75 -6.317 -7.382 -8.260 1.00 0.00 C ATOM 781 C ASP A 75 -7.589 -7.632 -7.454 1.00 0.00 C ATOM 782 O ASP A 75 -7.875 -8.763 -7.062 1.00 0.00 O ATOM 783 CB ASP A 75 -5.933 -8.638 -9.045 1.00 0.00 C ATOM 784 CG ASP A 75 -6.948 -9.054 -10.101 1.00 0.00 C ATOM 785 OD1 ASP A 75 -7.981 -8.433 -10.183 1.00 0.00 O ATOM 786 OD2 ASP A 75 -6.619 -9.882 -10.917 1.00 0.00 O ATOM 0 H ASP A 75 -5.310 -7.286 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.510 -6.575 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.971 -8.469 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.797 -9.462 -8.345 1.00 0.00 H new ATOM 791 N GLY A 76 -8.348 -6.569 -7.210 1.00 0.00 N ATOM 792 CA GLY A 76 -9.619 -6.707 -6.523 1.00 0.00 C ATOM 793 C GLY A 76 -9.468 -7.302 -5.137 1.00 0.00 C ATOM 794 O GLY A 76 -10.448 -7.739 -4.534 1.00 0.00 O ATOM 0 H GLY A 76 -8.106 -5.614 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.094 -5.729 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.282 -7.338 -7.115 1.00 0.00 H new ATOM 798 N GLU A 77 -8.239 -7.319 -4.632 1.00 0.00 N ATOM 799 CA GLU A 77 -7.942 -7.986 -3.370 1.00 0.00 C ATOM 800 C GLU A 77 -7.042 -7.117 -2.495 1.00 0.00 C ATOM 801 O GLU A 77 -7.346 -5.953 -2.238 1.00 0.00 O ATOM 802 CB GLU A 77 -7.285 -9.344 -3.623 1.00 0.00 C ATOM 803 CG GLU A 77 -8.190 -10.368 -4.292 1.00 0.00 C ATOM 804 CD GLU A 77 -9.278 -10.827 -3.359 1.00 0.00 C ATOM 805 OE1 GLU A 77 -8.959 -11.370 -2.328 1.00 0.00 O ATOM 806 OE2 GLU A 77 -10.421 -10.536 -3.623 1.00 0.00 O ATOM 0 H GLU A 77 -7.433 -6.879 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.882 -8.146 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.403 -9.196 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.940 -9.749 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.635 -9.934 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.598 -11.225 -4.614 1.00 0.00 H new ATOM 813 N TRP A 78 -5.934 -7.693 -2.042 1.00 0.00 N ATOM 814 CA TRP A 78 -4.905 -6.929 -1.347 1.00 0.00 C ATOM 815 C TRP A 78 -4.093 -6.091 -2.329 1.00 0.00 C ATOM 816 O TRP A 78 -3.852 -6.506 -3.464 1.00 0.00 O ATOM 817 CB TRP A 78 -3.980 -7.865 -0.564 1.00 0.00 C ATOM 818 CG TRP A 78 -4.694 -8.678 0.472 1.00 0.00 C ATOM 819 CD1 TRP A 78 -5.969 -9.154 0.400 1.00 0.00 C ATOM 820 CD2 TRP A 78 -4.172 -9.115 1.733 1.00 0.00 C ATOM 821 NE1 TRP A 78 -6.277 -9.857 1.538 1.00 0.00 N ATOM 822 CE2 TRP A 78 -5.188 -9.849 2.373 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.942 -8.955 2.384 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -5.016 -10.420 3.624 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.771 -9.527 3.639 1.00 0.00 C ATOM 826 CH2 TRP A 78 -3.776 -10.239 4.241 1.00 0.00 C ATOM 0 H TRP A 78 -5.726 -8.686 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 78 -5.400 -6.256 -0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -3.480 -8.537 -1.262 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -3.203 -7.274 -0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.640 -9.000 -0.432 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.170 -10.311 1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -2.142 -8.398 1.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -5.806 -10.981 4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.827 -9.408 4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -3.605 -10.671 5.216 1.00 0.00 H new ATOM 837 N VAL A 79 -3.673 -4.910 -1.887 1.00 0.00 N ATOM 838 CA VAL A 79 -2.552 -4.216 -2.509 1.00 0.00 C ATOM 839 C VAL A 79 -1.242 -4.540 -1.798 1.00 0.00 C ATOM 840 O VAL A 79 -1.067 -4.218 -0.622 1.00 0.00 O ATOM 841 CB VAL A 79 -2.761 -2.690 -2.510 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.563 -1.989 -3.131 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.035 -2.329 -3.259 1.00 0.00 C ATOM 0 H VAL A 79 -4.092 -4.414 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.499 -4.565 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.860 -2.355 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.728 -0.912 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.667 -2.223 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.435 -2.329 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.168 -1.247 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.963 -2.678 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.889 -2.803 -2.775 1.00 0.00 H new ATOM 853 N TRP A 80 -0.326 -5.175 -2.518 1.00 0.00 N ATOM 854 CA TRP A 80 0.886 -5.713 -1.910 1.00 0.00 C ATOM 855 C TRP A 80 2.130 -5.159 -2.597 1.00 0.00 C ATOM 856 O TRP A 80 2.070 -4.705 -3.738 1.00 0.00 O ATOM 857 CB TRP A 80 0.884 -7.241 -1.975 1.00 0.00 C ATOM 858 CG TRP A 80 0.970 -7.781 -3.370 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.097 -7.912 -4.126 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.113 -8.264 -4.175 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.783 -8.444 -5.353 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.432 -8.671 -5.406 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.492 -8.389 -3.971 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.348 -9.191 -6.427 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.274 -8.913 -4.994 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.718 -9.303 -6.187 1.00 0.00 C ATOM 0 H TRP A 80 -0.398 -5.330 -3.523 1.00 0.00 H new ATOM 0 HA TRP A 80 0.905 -5.406 -0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.724 -7.622 -1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.025 -7.615 -1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.092 -7.638 -3.807 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.447 -8.638 -6.103 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.940 -8.084 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.086 -9.496 -7.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.339 -9.015 -4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.357 -9.706 -6.959 1.00 0.00 H new ATOM 877 N VAL A 81 3.258 -5.199 -1.891 1.00 0.00 N ATOM 878 CA VAL A 81 4.516 -4.703 -2.433 1.00 0.00 C ATOM 879 C VAL A 81 5.206 -5.765 -3.283 1.00 0.00 C ATOM 880 O VAL A 81 5.418 -6.890 -2.834 1.00 0.00 O ATOM 881 CB VAL A 81 5.474 -4.251 -1.315 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.791 -3.770 -1.905 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.835 -3.154 -0.477 1.00 0.00 C ATOM 0 H VAL A 81 3.324 -5.570 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 81 4.272 -3.844 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 81 5.676 -5.105 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.456 -3.454 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.257 -4.581 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.605 -2.929 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.526 -2.847 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.604 -2.299 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.917 -3.529 -0.026 1.00 0.00 H new ATOM 893 N GLU A 82 5.553 -5.398 -4.512 1.00 0.00 N ATOM 894 CA GLU A 82 6.265 -6.304 -5.407 1.00 0.00 C ATOM 895 C GLU A 82 7.472 -6.922 -4.706 1.00 0.00 C ATOM 896 O GLU A 82 8.316 -6.213 -4.160 1.00 0.00 O ATOM 897 CB GLU A 82 6.707 -5.569 -6.673 1.00 0.00 C ATOM 898 CG GLU A 82 7.445 -6.440 -7.681 1.00 0.00 C ATOM 899 CD GLU A 82 7.869 -5.645 -8.885 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.561 -4.478 -8.940 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.594 -6.172 -9.695 1.00 0.00 O ATOM 0 H GLU A 82 5.353 -4.481 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 82 5.583 -7.107 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.828 -5.141 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.352 -4.737 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.322 -6.883 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.801 -7.262 -7.994 1.00 0.00 H new ATOM 908 N GLY A 83 7.545 -8.250 -4.728 1.00 0.00 N ATOM 909 CA GLY A 83 8.683 -8.938 -4.148 1.00 0.00 C ATOM 910 C GLY A 83 8.346 -9.606 -2.830 1.00 0.00 C ATOM 911 O GLY A 83 9.129 -10.403 -2.311 1.00 0.00 O ATOM 0 H GLY A 83 6.837 -8.860 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.046 -9.689 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.494 -8.226 -3.994 1.00 0.00 H new ATOM 915 N TYR A 84 7.179 -9.279 -2.283 1.00 0.00 N ATOM 916 CA TYR A 84 6.746 -9.842 -1.012 1.00 0.00 C ATOM 917 C TYR A 84 5.509 -10.717 -1.196 1.00 0.00 C ATOM 918 O TYR A 84 4.616 -10.731 -0.351 1.00 0.00 O ATOM 919 CB TYR A 84 6.459 -8.730 -0.001 1.00 0.00 C ATOM 920 CG TYR A 84 7.676 -7.918 0.380 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.572 -8.383 1.331 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.928 -6.689 -0.211 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.687 -7.648 1.684 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.040 -5.944 0.133 1.00 0.00 C ATOM 925 CZ TYR A 84 9.916 -6.426 1.082 1.00 0.00 C ATOM 926 OH TYR A 84 11.025 -5.689 1.429 1.00 0.00 O ATOM 0 H TYR A 84 6.517 -8.626 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 84 7.554 -10.465 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.704 -8.062 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.033 -9.172 0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.395 -9.337 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.243 -6.307 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.375 -8.026 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.222 -4.990 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 84 11.039 -4.856 0.913 1.00 0.00 H new ATOM 936 N GLU A 85 5.469 -11.445 -2.306 1.00 0.00 N ATOM 937 CA GLU A 85 4.410 -12.422 -2.539 1.00 0.00 C ATOM 938 C GLU A 85 4.294 -13.390 -1.364 1.00 0.00 C ATOM 939 O GLU A 85 3.243 -13.994 -1.147 1.00 0.00 O ATOM 940 CB GLU A 85 4.668 -13.193 -3.836 1.00 0.00 C ATOM 941 CG GLU A 85 4.635 -12.338 -5.094 1.00 0.00 C ATOM 942 CD GLU A 85 5.874 -11.494 -5.212 1.00 0.00 C ATOM 943 OE1 GLU A 85 6.949 -12.043 -5.182 1.00 0.00 O ATOM 944 OE2 GLU A 85 5.745 -10.316 -5.447 1.00 0.00 O ATOM 0 H GLU A 85 6.155 -11.378 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 85 3.468 -11.883 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.641 -13.679 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.923 -13.983 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.544 -12.980 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.755 -11.695 -5.077 1.00 0.00 H new ATOM 951 N GLU A 86 5.379 -13.529 -0.611 1.00 0.00 N ATOM 952 CA GLU A 86 5.372 -14.350 0.594 1.00 0.00 C ATOM 953 C GLU A 86 4.378 -13.806 1.617 1.00 0.00 C ATOM 954 O GLU A 86 3.644 -14.565 2.252 1.00 0.00 O ATOM 955 CB GLU A 86 6.772 -14.422 1.205 1.00 0.00 C ATOM 956 CG GLU A 86 6.868 -15.279 2.460 1.00 0.00 C ATOM 957 CD GLU A 86 8.276 -15.316 2.990 1.00 0.00 C ATOM 958 OE1 GLU A 86 9.131 -14.709 2.391 1.00 0.00 O ATOM 959 OE2 GLU A 86 8.475 -15.856 4.053 1.00 0.00 O ATOM 0 H GLU A 86 6.274 -13.084 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 86 5.061 -15.356 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.461 -14.815 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.103 -13.411 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.199 -14.884 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.534 -16.292 2.237 1.00 0.00 H new ATOM 966 N HIS A 87 4.359 -12.486 1.771 1.00 0.00 N ATOM 967 CA HIS A 87 3.640 -11.855 2.872 1.00 0.00 C ATOM 968 C HIS A 87 2.148 -11.761 2.563 1.00 0.00 C ATOM 969 O HIS A 87 1.342 -11.463 3.444 1.00 0.00 O ATOM 970 CB HIS A 87 4.206 -10.461 3.163 1.00 0.00 C ATOM 971 CG HIS A 87 5.622 -10.475 3.648 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.239 -9.361 4.177 1.00 0.00 N ATOM 973 CD2 HIS A 87 6.543 -11.468 3.681 1.00 0.00 C ATOM 974 CE1 HIS A 87 7.478 -9.670 4.518 1.00 0.00 C ATOM 975 NE2 HIS A 87 7.687 -10.940 4.227 1.00 0.00 N ATOM 0 H HIS A 87 4.833 -11.833 1.147 1.00 0.00 H new ATOM 0 HA HIS A 87 3.773 -12.477 3.758 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.148 -9.859 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.580 -9.973 3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.404 -12.484 3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.198 -8.997 4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 87 8.558 -11.448 4.383 1.00 0.00 H new ATOM 983 N ILE A 88 1.792 -12.017 1.310 1.00 0.00 N ATOM 984 CA ILE A 88 0.397 -11.972 0.888 1.00 0.00 C ATOM 985 C ILE A 88 -0.442 -12.986 1.660 1.00 0.00 C ATOM 986 O ILE A 88 -0.126 -14.173 1.692 1.00 0.00 O ATOM 987 CB ILE A 88 0.253 -12.239 -0.620 1.00 0.00 C ATOM 988 CG1 ILE A 88 0.967 -11.152 -1.427 1.00 0.00 C ATOM 989 CG2 ILE A 88 -1.216 -12.317 -1.009 1.00 0.00 C ATOM 990 CD1 ILE A 88 0.947 -11.385 -2.921 1.00 0.00 C ATOM 0 H ILE A 88 2.450 -12.258 0.568 1.00 0.00 H new ATOM 0 HA ILE A 88 0.035 -10.967 1.102 1.00 0.00 H new ATOM 0 HB ILE A 88 0.720 -13.197 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.502 -10.190 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.003 -11.087 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.299 -12.506 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.696 -13.127 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.707 -11.374 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.473 -10.573 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.439 -12.331 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.085 -11.420 -3.270 1.00 0.00 H new ATOM 1002 N GLY A 89 -1.516 -12.506 2.280 1.00 0.00 N ATOM 1003 CA GLY A 89 -2.418 -13.391 2.994 1.00 0.00 C ATOM 1004 C GLY A 89 -1.986 -13.622 4.430 1.00 0.00 C ATOM 1005 O GLY A 89 -2.413 -14.585 5.066 1.00 0.00 O ATOM 0 H GLY A 89 -1.777 -11.520 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.422 -12.967 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.470 -14.348 2.475 1.00 0.00 H new ATOM 1009 N LYS A 90 -1.136 -12.738 4.939 1.00 0.00 N ATOM 1010 CA LYS A 90 -0.744 -12.774 6.344 1.00 0.00 C ATOM 1011 C LYS A 90 -1.167 -11.495 7.059 1.00 0.00 C ATOM 1012 O LYS A 90 -1.476 -10.490 6.420 1.00 0.00 O ATOM 1013 CB LYS A 90 0.770 -12.965 6.468 1.00 0.00 C ATOM 1014 CG LYS A 90 1.224 -14.393 6.224 1.00 0.00 C ATOM 1015 CD LYS A 90 1.390 -14.681 4.742 1.00 0.00 C ATOM 1016 CE LYS A 90 1.166 -16.153 4.431 1.00 0.00 C ATOM 1017 NZ LYS A 90 -0.198 -16.602 4.827 1.00 0.00 N ATOM 0 H LYS A 90 -0.705 -11.987 4.400 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.249 -13.617 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.270 -12.307 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.086 -12.657 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.170 -14.568 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.497 -15.084 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.685 -14.076 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.391 -14.389 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.310 -16.325 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.912 -16.752 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.603 -17.191 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.140 -17.157 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.805 -15.772 4.982 1.00 0.00 H new ATOM 1031 N GLN A 91 -1.173 -11.539 8.387 1.00 0.00 N ATOM 1032 CA GLN A 91 -1.541 -10.378 9.189 1.00 0.00 C ATOM 1033 C GLN A 91 -0.308 -9.737 9.814 1.00 0.00 C ATOM 1034 O GLN A 91 0.263 -10.266 10.771 1.00 0.00 O ATOM 1035 CB GLN A 91 -2.535 -10.774 10.284 1.00 0.00 C ATOM 1036 CG GLN A 91 -3.008 -9.615 11.144 1.00 0.00 C ATOM 1037 CD GLN A 91 -3.813 -8.601 10.355 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -4.753 -8.955 9.638 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -3.443 -7.331 10.476 1.00 0.00 N ATOM 0 H GLN A 91 -0.927 -12.366 8.931 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.014 -9.651 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.402 -11.245 9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.072 -11.523 10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.615 -9.999 11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.145 -9.122 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.660 -7.083 11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.942 -6.603 9.965 1.00 0.00 H new ATOM 1048 N LEU A 92 0.099 -8.596 9.272 1.00 0.00 N ATOM 1049 CA LEU A 92 1.267 -7.881 9.776 1.00 0.00 C ATOM 1050 C LEU A 92 0.870 -6.519 10.338 1.00 0.00 C ATOM 1051 O LEU A 92 0.884 -5.505 9.639 1.00 0.00 O ATOM 1052 CB LEU A 92 2.313 -7.719 8.668 1.00 0.00 C ATOM 1053 CG LEU A 92 2.873 -9.031 8.102 1.00 0.00 C ATOM 1054 CD1 LEU A 92 3.779 -8.742 6.914 1.00 0.00 C ATOM 1055 CD2 LEU A 92 3.631 -9.772 9.193 1.00 0.00 C ATOM 0 H LEU A 92 -0.363 -8.145 8.482 1.00 0.00 H new ATOM 0 HA LEU A 92 1.703 -8.468 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.869 -7.150 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.141 -7.126 9.056 1.00 0.00 H new ATOM 0 HG LEU A 92 2.052 -9.660 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.172 -9.679 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.209 -8.232 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.606 -8.108 7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.029 -10.704 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.452 -9.151 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.956 -9.992 10.020 1.00 0.00 H new ATOM 1067 N PRO A 93 0.513 -6.492 11.631 1.00 0.00 N ATOM 1068 CA PRO A 93 0.142 -5.255 12.322 1.00 0.00 C ATOM 1069 C PRO A 93 1.337 -4.337 12.552 1.00 0.00 C ATOM 1070 O PRO A 93 1.176 -3.147 12.829 1.00 0.00 O ATOM 1071 CB PRO A 93 -0.465 -5.739 13.643 1.00 0.00 C ATOM 1072 CG PRO A 93 0.195 -7.052 13.896 1.00 0.00 C ATOM 1073 CD PRO A 93 0.383 -7.672 12.537 1.00 0.00 C ATOM 0 HA PRO A 93 -0.551 -4.651 11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.270 -5.034 14.451 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.547 -5.846 13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.151 -6.920 14.404 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.421 -7.685 14.535 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.271 -8.304 12.503 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.465 -8.299 12.261 1.00 0.00 H new ATOM 1081 N LEU A 94 2.537 -4.895 12.433 1.00 0.00 N ATOM 1082 CA LEU A 94 3.760 -4.143 12.688 1.00 0.00 C ATOM 1083 C LEU A 94 4.213 -3.403 11.433 1.00 0.00 C ATOM 1084 O LEU A 94 3.577 -3.491 10.385 1.00 0.00 O ATOM 1085 CB LEU A 94 4.867 -5.081 13.187 1.00 0.00 C ATOM 1086 CG LEU A 94 4.531 -5.867 14.461 1.00 0.00 C ATOM 1087 CD1 LEU A 94 5.693 -6.776 14.836 1.00 0.00 C ATOM 1088 CD2 LEU A 94 4.219 -4.897 15.591 1.00 0.00 C ATOM 0 H LEU A 94 2.689 -5.866 12.161 1.00 0.00 H new ATOM 0 HA LEU A 94 3.553 -3.404 13.462 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.106 -5.790 12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.766 -4.492 13.369 1.00 0.00 H new ATOM 0 HG LEU A 94 3.655 -6.490 14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.444 -7.329 15.742 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.884 -7.477 14.023 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.584 -6.174 15.012 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.980 -5.457 16.495 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.086 -4.262 15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.367 -4.276 15.313 1.00 0.00 H new ATOM 1100 N ASN A 95 5.319 -2.674 11.550 1.00 0.00 N ATOM 1101 CA ASN A 95 5.884 -1.954 10.414 1.00 0.00 C ATOM 1102 C ASN A 95 6.471 -2.924 9.393 1.00 0.00 C ATOM 1103 O ASN A 95 6.915 -2.516 8.320 1.00 0.00 O ATOM 1104 CB ASN A 95 6.936 -0.953 10.857 1.00 0.00 C ATOM 1105 CG ASN A 95 6.370 0.241 11.575 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.172 0.533 11.488 1.00 0.00 O ATOM 1107 ND2 ASN A 95 7.240 0.976 12.218 1.00 0.00 N ATOM 0 H ASN A 95 5.841 -2.566 12.420 1.00 0.00 H new ATOM 0 HA ASN A 95 5.072 -1.401 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 95 7.649 -1.455 11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.490 -0.611 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.940 1.836 12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 95 8.218 0.689 12.260 1.00 0.00 H new ATOM 1114 N GLN A 96 6.470 -4.208 9.736 1.00 0.00 N ATOM 1115 CA GLN A 96 6.927 -5.243 8.817 1.00 0.00 C ATOM 1116 C GLN A 96 5.907 -5.479 7.708 1.00 0.00 C ATOM 1117 O GLN A 96 6.186 -6.172 6.731 1.00 0.00 O ATOM 1118 CB GLN A 96 7.189 -6.550 9.568 1.00 0.00 C ATOM 1119 CG GLN A 96 8.304 -6.465 10.598 1.00 0.00 C ATOM 1120 CD GLN A 96 9.643 -6.119 9.972 1.00 0.00 C ATOM 1121 OE1 GLN A 96 10.040 -6.701 8.959 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.349 -5.171 10.577 1.00 0.00 N ATOM 0 H GLN A 96 6.158 -4.556 10.643 1.00 0.00 H new ATOM 0 HA GLN A 96 7.858 -4.900 8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.271 -6.859 10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.436 -7.328 8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.049 -5.712 11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.386 -7.418 11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.981 -4.716 11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.259 -4.897 10.206 1.00 0.00 H new ATOM 1131 N ALA A 97 4.724 -4.897 7.870 1.00 0.00 N ATOM 1132 CA ALA A 97 3.666 -5.027 6.873 1.00 0.00 C ATOM 1133 C ALA A 97 4.188 -4.705 5.476 1.00 0.00 C ATOM 1134 O ALA A 97 4.860 -3.694 5.271 1.00 0.00 O ATOM 1135 CB ALA A 97 2.496 -4.122 7.223 1.00 0.00 C ATOM 0 H ALA A 97 4.473 -4.331 8.681 1.00 0.00 H new ATOM 0 HA ALA A 97 3.323 -6.061 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.715 -4.230 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.100 -4.401 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.833 -3.086 7.250 1.00 0.00 H new ATOM 1141 N ARG A 98 3.874 -5.571 4.517 1.00 0.00 N ATOM 1142 CA ARG A 98 4.248 -5.342 3.127 1.00 0.00 C ATOM 1143 C ARG A 98 3.062 -5.586 2.199 1.00 0.00 C ATOM 1144 O ARG A 98 3.231 -5.757 0.991 1.00 0.00 O ATOM 1145 CB ARG A 98 5.460 -6.162 2.716 1.00 0.00 C ATOM 1146 CG ARG A 98 6.738 -5.842 3.476 1.00 0.00 C ATOM 1147 CD ARG A 98 7.302 -4.498 3.189 1.00 0.00 C ATOM 1148 NE ARG A 98 8.581 -4.233 3.827 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.727 -3.745 5.074 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.680 -3.432 5.806 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.953 -3.565 5.535 1.00 0.00 N ATOM 0 H ARG A 98 3.361 -6.438 4.678 1.00 0.00 H new ATOM 0 HA ARG A 98 4.537 -4.295 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.229 -7.218 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.640 -6.009 1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.540 -5.919 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.488 -6.596 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.419 -4.389 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.586 -3.741 3.510 1.00 0.00 H new ATOM 0 HE ARG A 98 9.427 -4.430 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.740 -3.558 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.808 -3.064 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.757 -3.794 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.095 -3.197 6.476 1.00 0.00 H new ATOM 1165 N ALA A 99 1.862 -5.599 2.769 1.00 0.00 N ATOM 1166 CA ALA A 99 0.653 -5.856 1.998 1.00 0.00 C ATOM 1167 C ALA A 99 -0.589 -5.394 2.754 1.00 0.00 C ATOM 1168 O ALA A 99 -0.663 -5.512 3.977 1.00 0.00 O ATOM 1169 CB ALA A 99 0.546 -7.337 1.663 1.00 0.00 C ATOM 0 H ALA A 99 1.701 -5.434 3.763 1.00 0.00 H new ATOM 0 HA ALA A 99 0.716 -5.287 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.362 -7.515 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.413 -7.641 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.510 -7.917 2.585 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.560 -4.864 2.018 1.00 0.00 N ATOM 1176 CA TRP A 100 -2.795 -4.377 2.621 1.00 0.00 C ATOM 1177 C TRP A 100 -4.002 -4.752 1.768 1.00 0.00 C ATOM 1178 O TRP A 100 -3.864 -5.072 0.587 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.736 -2.860 2.809 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.524 -2.396 3.559 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.441 -2.133 4.893 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.222 -2.142 3.017 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.171 -1.730 5.218 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.598 -1.729 4.082 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.329 -2.226 1.732 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.933 -1.399 3.907 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.668 -1.897 1.558 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.447 -1.495 2.614 1.00 0.00 C ATOM 0 H TRP A 100 -1.516 -4.761 1.004 1.00 0.00 H new ATOM 0 HA TRP A 100 -2.903 -4.850 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.754 -2.380 1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.630 -2.533 3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.257 -2.228 5.594 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.149 -1.473 6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.275 -2.540 0.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.548 -1.081 4.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.104 -1.959 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.484 -1.247 2.439 1.00 0.00 H new ATOM 1199 N SER A 101 -5.185 -4.711 2.373 1.00 0.00 N ATOM 1200 CA SER A 101 -6.423 -4.987 1.653 1.00 0.00 C ATOM 1201 C SER A 101 -6.994 -3.709 1.047 1.00 0.00 C ATOM 1202 O SER A 101 -6.814 -2.617 1.589 1.00 0.00 O ATOM 1203 CB SER A 101 -7.434 -5.635 2.577 1.00 0.00 C ATOM 1204 OG SER A 101 -8.700 -5.738 1.984 1.00 0.00 O ATOM 0 H SER A 101 -5.312 -4.489 3.360 1.00 0.00 H new ATOM 0 HA SER A 101 -6.201 -5.678 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.084 -6.628 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.511 -5.053 3.495 1.00 0.00 H new ATOM 0 HG SER A 101 -9.225 -6.422 2.450 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.685 -3.852 -0.077 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.513 -2.775 -0.608 1.00 0.00 C ATOM 1212 C TRP A 102 -9.561 -2.340 0.409 1.00 0.00 C ATOM 1213 O TRP A 102 -9.944 -1.172 0.458 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.191 -3.214 -1.908 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.405 -2.874 -3.137 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -7.943 -3.747 -4.076 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -7.986 -1.570 -3.561 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.264 -3.070 -5.059 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.277 -1.730 -4.765 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.145 -0.281 -3.036 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.728 -0.658 -5.451 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.595 0.793 -3.725 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.908 0.610 -4.898 1.00 0.00 C ATOM 0 H TRP A 102 -7.689 -4.703 -0.639 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.865 -1.924 -0.818 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.354 -4.291 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.173 -2.745 -1.973 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.090 -4.817 -4.051 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.822 -3.494 -5.875 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.685 -0.125 -2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.184 -0.798 -6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.711 1.791 -3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.496 1.469 -5.406 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.020 -3.287 1.221 1.00 0.00 N ATOM 1235 CA GLU A 103 -10.971 -2.987 2.285 1.00 0.00 C ATOM 1236 C GLU A 103 -10.300 -2.207 3.411 1.00 0.00 C ATOM 1237 O GLU A 103 -10.920 -1.350 4.042 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.593 -4.275 2.831 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.593 -4.937 1.893 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.773 -4.042 1.634 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.364 -3.582 2.581 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.015 -3.729 0.493 1.00 0.00 O ATOM 0 H GLU A 103 -9.749 -4.268 1.162 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.763 -2.368 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.795 -4.984 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.091 -4.052 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.104 -5.180 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.935 -5.877 2.327 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.030 -2.509 3.657 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.230 -1.737 4.601 1.00 0.00 C ATOM 1251 C PHE A 104 -7.979 -0.327 4.076 1.00 0.00 C ATOM 1252 O PHE A 104 -8.078 0.651 4.819 1.00 0.00 O ATOM 1253 CB PHE A 104 -6.901 -2.443 4.879 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.024 -1.718 5.860 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.244 -1.832 7.225 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -4.977 -0.922 5.421 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.439 -1.166 8.128 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.169 -0.256 6.321 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.401 -0.379 7.677 1.00 0.00 C ATOM 0 H PHE A 104 -8.532 -3.283 3.216 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.788 -1.661 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.104 -3.444 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.360 -2.562 3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.054 -2.449 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.791 -0.822 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.623 -1.262 9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.357 0.360 5.965 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.770 0.141 8.383 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.654 -0.230 2.791 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.467 1.064 2.147 1.00 0.00 C ATOM 1271 C ILE A 105 -8.740 1.904 2.223 1.00 0.00 C ATOM 1272 O ILE A 105 -8.689 3.104 2.492 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.053 0.907 0.672 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.643 0.319 0.574 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.127 2.245 -0.047 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.262 -0.125 -0.820 1.00 0.00 C ATOM 0 H ILE A 105 -7.515 -1.032 2.176 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.667 1.572 2.685 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.747 0.220 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.924 1.063 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.567 -0.533 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.831 2.115 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.148 2.625 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.455 2.955 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.250 -0.530 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.957 -0.893 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.304 0.728 -1.498 1.00 0.00 H new ATOM 1288 N LYS A 106 -9.879 1.263 1.983 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.171 1.924 2.118 1.00 0.00 C ATOM 1290 C LYS A 106 -11.417 2.344 3.565 1.00 0.00 C ATOM 1291 O LYS A 106 -11.952 3.422 3.824 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.295 1.008 1.634 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.383 0.865 0.121 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.212 -0.348 -0.275 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.655 -0.205 0.184 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.502 -1.339 -0.277 1.00 0.00 N ATOM 0 H LYS A 106 -9.933 0.286 1.694 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.159 2.820 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.156 0.020 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.245 1.391 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.826 1.765 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.380 0.774 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.183 -0.473 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.777 -1.247 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.685 -0.149 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.065 0.731 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.429 -1.294 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.633 -1.278 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.037 -2.238 -0.040 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.023 1.488 4.502 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.156 1.793 5.920 1.00 0.00 C ATOM 1312 C ASN A 107 -10.283 2.983 6.307 1.00 0.00 C ATOM 1313 O ASN A 107 -10.650 3.780 7.170 1.00 0.00 O ATOM 1314 CB ASN A 107 -10.818 0.589 6.782 1.00 0.00 C ATOM 1315 CG ASN A 107 -11.878 -0.477 6.775 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.043 -0.221 6.449 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.500 -1.652 7.210 1.00 0.00 N ATOM 0 H ASN A 107 -10.609 0.577 4.304 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.199 2.055 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.879 0.157 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.657 0.921 7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.180 -2.408 7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.526 -1.812 7.466 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.128 3.095 5.662 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.218 4.206 5.910 1.00 0.00 C ATOM 1326 C ARG A 108 -8.818 5.520 5.419 1.00 0.00 C ATOM 1327 O ARG A 108 -8.710 6.552 6.083 1.00 0.00 O ATOM 1328 CB ARG A 108 -6.838 3.963 5.318 1.00 0.00 C ATOM 1329 CG ARG A 108 -5.976 2.974 6.087 1.00 0.00 C ATOM 1330 CD ARG A 108 -5.523 3.459 7.415 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.528 4.519 7.361 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.170 5.286 8.410 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.745 5.141 9.583 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.239 6.206 8.221 1.00 0.00 N ATOM 0 H ARG A 108 -8.799 2.429 4.963 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.083 4.280 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.955 3.602 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.310 4.915 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.538 2.050 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.101 2.729 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.389 3.818 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.111 2.619 7.974 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.069 4.694 6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.474 4.439 9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.462 5.730 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.813 6.319 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.947 6.802 8.995 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.449 5.476 4.251 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.154 6.637 3.717 1.00 0.00 C ATOM 1350 C LEU A 109 -11.337 7.011 4.603 1.00 0.00 C ATOM 1351 O LEU A 109 -11.666 8.187 4.755 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.623 6.362 2.283 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.504 6.250 1.239 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -10.058 5.682 -0.061 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -8.885 7.621 1.010 1.00 0.00 C ATOM 0 H LEU A 109 -9.487 4.649 3.655 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.463 7.479 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.197 5.436 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.302 7.160 1.981 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.731 5.573 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.256 5.606 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.476 4.692 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.839 6.340 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.090 7.542 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.649 8.310 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.472 7.995 1.947 1.00 0.00 H new ATOM 1367 N LYS A 110 -11.975 6.002 5.187 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.087 6.225 6.103 1.00 0.00 C ATOM 1369 C LYS A 110 -12.604 6.876 7.396 1.00 0.00 C ATOM 1370 O LYS A 110 -13.331 7.644 8.024 1.00 0.00 O ATOM 1371 CB LYS A 110 -13.805 4.910 6.409 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.639 4.367 5.256 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.231 3.007 5.595 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.114 2.490 4.468 1.00 0.00 C ATOM 1375 NZ LYS A 110 -16.715 1.168 4.793 1.00 0.00 N ATOM 0 H LYS A 110 -11.740 5.020 5.042 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.791 6.902 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.064 4.162 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.453 5.056 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.441 5.067 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.019 4.284 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.427 2.296 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.815 3.081 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.908 3.210 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.525 2.406 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.309 0.852 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.958 0.474 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.299 1.253 5.650 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.373 6.562 7.786 1.00 0.00 N ATOM 1390 CA GLU A 111 -10.759 7.188 8.951 1.00 0.00 C ATOM 1391 C GLU A 111 -10.368 8.632 8.650 1.00 0.00 C ATOM 1392 O GLU A 111 -10.344 9.480 9.544 1.00 0.00 O ATOM 1393 CB GLU A 111 -9.534 6.392 9.406 1.00 0.00 C ATOM 1394 CG GLU A 111 -9.860 5.072 10.090 1.00 0.00 C ATOM 1395 CD GLU A 111 -8.610 4.316 10.443 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -7.545 4.784 10.120 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -8.711 3.330 11.134 1.00 0.00 O ATOM 0 H GLU A 111 -10.782 5.879 7.313 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.492 7.192 9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.903 6.192 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.950 7.007 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.440 5.262 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.482 4.464 9.433 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.062 8.905 7.386 1.00 0.00 N ATOM 1405 CA LEU A 112 -9.737 10.259 6.953 1.00 0.00 C ATOM 1406 C LEU A 112 -10.991 11.122 6.878 1.00 0.00 C ATOM 1407 O LEU A 112 -10.969 12.300 7.236 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.026 10.226 5.595 1.00 0.00 C ATOM 1409 CG LEU A 112 -7.620 9.613 5.607 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.092 9.487 4.185 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -6.696 10.477 6.451 1.00 0.00 C ATOM 0 H LEU A 112 -10.032 8.206 6.643 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.066 10.702 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.643 9.665 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.957 11.245 5.214 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.663 8.615 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.093 9.051 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.756 8.846 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.048 10.474 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.697 10.041 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.650 11.481 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.077 10.529 7.471 1.00 0.00 H new ATOM 1423 N ASN A 113 -12.085 10.529 6.410 1.00 0.00 N ATOM 1424 CA ASN A 113 -13.347 11.249 6.275 1.00 0.00 C ATOM 1425 C ASN A 113 -14.229 11.035 7.500 1.00 0.00 C ATOM 1426 O ASN A 113 -14.998 10.075 7.565 1.00 0.00 O ATOM 1427 CB ASN A 113 -14.087 10.842 5.014 1.00 0.00 C ATOM 1428 CG ASN A 113 -15.330 11.648 4.756 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -15.879 12.288 5.660 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -15.820 11.556 3.546 1.00 0.00 N ATOM 0 H ASN A 113 -12.123 9.552 6.118 1.00 0.00 H new ATOM 0 HA ASN A 113 -13.110 12.310 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.416 10.942 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.356 9.788 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.695 12.026 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.327 11.015 2.836 1.00 0.00 H new ATOM 1437 N LEU A 114 -14.114 11.935 8.471 1.00 0.00 N ATOM 1438 CA LEU A 114 -14.906 11.849 9.692 1.00 0.00 C ATOM 1439 C LEU A 114 -15.791 13.081 9.856 1.00 0.00 C ATOM 1440 O LEU A 114 -16.473 13.237 10.868 1.00 0.00 O ATOM 1441 CB LEU A 114 -13.987 11.683 10.909 1.00 0.00 C ATOM 1442 CG LEU A 114 -13.116 10.420 10.901 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -12.162 10.438 12.089 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -14.006 9.187 10.943 1.00 0.00 C ATOM 1445 OXT LEU A 114 -15.829 13.912 8.991 1.00 0.00 O ATOM 0 H LEU A 114 -13.479 12.733 8.436 1.00 0.00 H new ATOM 0 HA LEU A 114 -15.554 10.975 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -13.335 12.554 10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -14.601 11.676 11.810 1.00 0.00 H new ATOM 0 HG LEU A 114 -12.523 10.392 9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.547 9.538 12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.520 11.317 12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.735 10.472 13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.386 8.290 10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -14.610 9.205 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -14.661 9.181 10.072 1.00 0.00 H new TER 1457 LEU A 114