USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 43 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-4.1!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 143:sc= 0.0878 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc=-0.00695 USER MOD Set 2.2: A 6 CYS SG : rot 14:sc= -1.41! USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 ASN : amide:sc= -5.56! C(o=-5.6!,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00416) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.773 (180deg=0.0456) USER MOD Single : A 4 GLN : amide:sc=-0.00325 K(o=-0.0032,f=-1.4) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 12:sc= 0.087 USER MOD Single : A 35 SER OG : rot 35:sc= 0.66 USER MOD Single : A 39 SER OG : rot 180:sc= 0.366! USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0.909 (180deg=0.839) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 83:sc= 0.386 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.33) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.84 K(o=-0.84,f=-3.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.496 F(o=-1.1,f=-0.5) USER MOD Single : A 74 THR OG1 : rot 4:sc= 0.00348 USER MOD Single : A 77 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-4.5!) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -0.095 (180deg=-0.528) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.251 (180deg=-1.1) USER MOD Single : A 95 THR OG1 : rot -108:sc= 0.205 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.715 K(o=-0.72,f=-2.2!) USER MOD Single : A 105 HIS : no HD1:sc= -0.08 K(o=-0.08,f=-1.4) USER MOD Single : A 106 HIS : no HD1:sc= -0.0505 K(o=-0.05,f=-7.6!) USER MOD Single : A 107 HIS : no HD1:sc= 0.00024 X(o=0.00024,f=-0.26) USER MOD Single : A 108 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.855 -5.501 14.256 1.00 0.00 N ATOM 2 CA MET A 1 -32.420 -5.736 13.942 1.00 0.00 C ATOM 3 C MET A 1 -32.017 -7.102 14.496 1.00 0.00 C ATOM 4 O MET A 1 -30.852 -7.437 14.585 1.00 0.00 O ATOM 5 CB MET A 1 -31.570 -4.633 14.588 1.00 0.00 C ATOM 6 CG MET A 1 -31.627 -3.369 13.724 1.00 0.00 C ATOM 7 SD MET A 1 -33.330 -2.757 13.662 1.00 0.00 S ATOM 8 CE MET A 1 -33.282 -1.782 15.185 1.00 0.00 C ATOM 0 H1 MET A 1 -34.088 -4.502 14.087 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.446 -6.102 13.648 1.00 0.00 H new ATOM 0 H3 MET A 1 -34.035 -5.735 15.253 1.00 0.00 H new ATOM 0 HA MET A 1 -32.260 -5.717 12.864 1.00 0.00 H new ATOM 0 HB2 MET A 1 -31.938 -4.417 15.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.538 -4.969 14.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.969 -2.604 14.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.271 -3.587 12.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.239 -1.279 15.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.090 -2.440 16.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.488 -1.039 15.116 1.00 0.00 H new ATOM 20 N SER A 2 -32.986 -7.900 14.872 1.00 0.00 N ATOM 21 CA SER A 2 -32.676 -9.254 15.426 1.00 0.00 C ATOM 22 C SER A 2 -33.696 -10.270 14.912 1.00 0.00 C ATOM 23 O SER A 2 -34.834 -9.944 14.633 1.00 0.00 O ATOM 24 CB SER A 2 -32.733 -9.214 16.952 1.00 0.00 C ATOM 25 OG SER A 2 -32.460 -10.514 17.463 1.00 0.00 O ATOM 0 H SER A 2 -33.979 -7.672 14.819 1.00 0.00 H new ATOM 0 HA SER A 2 -31.676 -9.547 15.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.006 -8.499 17.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.716 -8.879 17.283 1.00 0.00 H new ATOM 0 HG SER A 2 -32.494 -10.494 18.442 1.00 0.00 H new ATOM 31 N ASN A 3 -33.279 -11.504 14.782 1.00 0.00 N ATOM 32 CA ASN A 3 -34.189 -12.581 14.286 1.00 0.00 C ATOM 33 C ASN A 3 -34.989 -12.068 13.083 1.00 0.00 C ATOM 34 O ASN A 3 -36.190 -12.243 12.993 1.00 0.00 O ATOM 35 CB ASN A 3 -35.132 -13.038 15.411 1.00 0.00 C ATOM 36 CG ASN A 3 -36.035 -11.885 15.847 1.00 0.00 C ATOM 37 OD1 ASN A 3 -35.620 -11.024 16.599 1.00 0.00 O ATOM 38 ND2 ASN A 3 -37.261 -11.832 15.408 1.00 0.00 N ATOM 0 H ASN A 3 -32.333 -11.815 15.002 1.00 0.00 H new ATOM 0 HA ASN A 3 -33.594 -13.438 13.971 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -35.740 -13.875 15.068 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -34.550 -13.394 16.261 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -37.873 -11.068 15.695 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -37.609 -12.554 14.777 1.00 0.00 H new ATOM 45 N GLN A 4 -34.321 -11.432 12.157 1.00 0.00 N ATOM 46 CA GLN A 4 -35.025 -10.898 10.955 1.00 0.00 C ATOM 47 C GLN A 4 -35.455 -12.046 10.039 1.00 0.00 C ATOM 48 O GLN A 4 -34.734 -13.004 9.828 1.00 0.00 O ATOM 49 CB GLN A 4 -34.098 -9.943 10.193 1.00 0.00 C ATOM 50 CG GLN A 4 -32.832 -10.680 9.748 1.00 0.00 C ATOM 51 CD GLN A 4 -31.888 -9.691 9.059 1.00 0.00 C ATOM 52 OE1 GLN A 4 -31.917 -8.508 9.338 1.00 0.00 O ATOM 53 NE2 GLN A 4 -31.042 -10.126 8.164 1.00 0.00 N ATOM 0 H GLN A 4 -33.316 -11.259 12.182 1.00 0.00 H new ATOM 0 HA GLN A 4 -35.913 -10.356 11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -34.616 -9.537 9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -33.832 -9.098 10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -32.339 -11.132 10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -33.090 -11.490 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -31.015 -11.118 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -30.408 -9.474 7.702 1.00 0.00 H new ATOM 62 N THR A 5 -36.640 -11.950 9.502 1.00 0.00 N ATOM 63 CA THR A 5 -37.160 -13.020 8.605 1.00 0.00 C ATOM 64 C THR A 5 -36.667 -12.800 7.173 1.00 0.00 C ATOM 65 O THR A 5 -35.804 -11.984 6.914 1.00 0.00 O ATOM 66 CB THR A 5 -38.690 -12.984 8.613 1.00 0.00 C ATOM 67 OG1 THR A 5 -39.144 -12.002 7.691 1.00 0.00 O ATOM 68 CG2 THR A 5 -39.187 -12.637 10.017 1.00 0.00 C ATOM 0 H THR A 5 -37.277 -11.167 9.648 1.00 0.00 H new ATOM 0 HA THR A 5 -36.802 -13.985 8.963 1.00 0.00 H new ATOM 0 HB THR A 5 -39.078 -13.961 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 5 -40.124 -11.979 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 -40.277 -12.612 10.021 1.00 0.00 H new ATOM 0 HG22 THR A 5 -38.839 -13.391 10.723 1.00 0.00 H new ATOM 0 HG23 THR A 5 -38.800 -11.661 10.309 1.00 0.00 H new ATOM 76 N CYS A 6 -37.226 -13.541 6.247 1.00 0.00 N ATOM 77 CA CYS A 6 -36.835 -13.424 4.809 1.00 0.00 C ATOM 78 C CYS A 6 -35.322 -13.215 4.683 1.00 0.00 C ATOM 79 O CYS A 6 -34.818 -12.110 4.753 1.00 0.00 O ATOM 80 CB CYS A 6 -37.594 -12.260 4.156 1.00 0.00 C ATOM 81 SG CYS A 6 -37.315 -10.732 5.086 1.00 0.00 S ATOM 0 H CYS A 6 -37.950 -14.235 6.432 1.00 0.00 H new ATOM 0 HA CYS A 6 -37.097 -14.348 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -37.263 -12.133 3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -38.660 -12.485 4.123 1.00 0.00 H new ATOM 0 HG CYS A 6 -36.317 -10.897 5.902 1.00 0.00 H new ATOM 87 N VAL A 7 -34.596 -14.285 4.505 1.00 0.00 N ATOM 88 CA VAL A 7 -33.117 -14.176 4.383 1.00 0.00 C ATOM 89 C VAL A 7 -32.739 -13.746 2.962 1.00 0.00 C ATOM 90 O VAL A 7 -33.171 -14.321 1.981 1.00 0.00 O ATOM 91 CB VAL A 7 -32.478 -15.530 4.720 1.00 0.00 C ATOM 92 CG1 VAL A 7 -33.007 -16.614 3.777 1.00 0.00 C ATOM 93 CG2 VAL A 7 -30.958 -15.428 4.578 1.00 0.00 C ATOM 0 H VAL A 7 -34.966 -15.233 4.439 1.00 0.00 H new ATOM 0 HA VAL A 7 -32.748 -13.424 5.081 1.00 0.00 H new ATOM 0 HB VAL A 7 -32.734 -15.796 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -32.546 -17.570 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -34.089 -16.694 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -32.763 -16.351 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -30.505 -16.390 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -30.706 -15.153 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -30.579 -14.668 5.261 1.00 0.00 H new ATOM 103 N GLU A 8 -31.929 -12.725 2.852 1.00 0.00 N ATOM 104 CA GLU A 8 -31.499 -12.227 1.510 1.00 0.00 C ATOM 105 C GLU A 8 -30.238 -12.980 1.067 1.00 0.00 C ATOM 106 O GLU A 8 -29.782 -12.849 -0.054 1.00 0.00 O ATOM 107 CB GLU A 8 -31.202 -10.725 1.608 1.00 0.00 C ATOM 108 CG GLU A 8 -32.508 -9.952 1.824 1.00 0.00 C ATOM 109 CD GLU A 8 -32.208 -8.462 2.014 1.00 0.00 C ATOM 110 OE1 GLU A 8 -31.044 -8.099 1.971 1.00 0.00 O ATOM 111 OE2 GLU A 8 -33.150 -7.708 2.202 1.00 0.00 O ATOM 0 H GLU A 8 -31.543 -12.209 3.643 1.00 0.00 H new ATOM 0 HA GLU A 8 -32.290 -12.395 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -30.515 -10.534 2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -30.711 -10.382 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -33.169 -10.092 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -33.030 -10.341 2.698 1.00 0.00 H new ATOM 118 N ASN A 9 -29.663 -13.767 1.940 1.00 0.00 N ATOM 119 CA ASN A 9 -28.430 -14.527 1.566 1.00 0.00 C ATOM 120 C ASN A 9 -28.370 -15.831 2.369 1.00 0.00 C ATOM 121 O ASN A 9 -28.116 -15.838 3.559 1.00 0.00 O ATOM 122 CB ASN A 9 -27.193 -13.675 1.867 1.00 0.00 C ATOM 123 CG ASN A 9 -25.933 -14.430 1.433 1.00 0.00 C ATOM 124 OD1 ASN A 9 -25.971 -15.223 0.512 1.00 0.00 O ATOM 125 ND2 ASN A 9 -24.812 -14.211 2.060 1.00 0.00 N ATOM 0 H ASN A 9 -29.992 -13.917 2.894 1.00 0.00 H new ATOM 0 HA ASN A 9 -28.455 -14.761 0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -27.258 -12.722 1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -27.145 -13.448 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -23.965 -14.705 1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -24.781 -13.546 2.832 1.00 0.00 H new ATOM 132 N GLU A 10 -28.615 -16.936 1.719 1.00 0.00 N ATOM 133 CA GLU A 10 -28.599 -18.260 2.413 1.00 0.00 C ATOM 134 C GLU A 10 -27.247 -18.512 3.091 1.00 0.00 C ATOM 135 O GLU A 10 -26.506 -17.599 3.404 1.00 0.00 O ATOM 136 CB GLU A 10 -28.868 -19.364 1.384 1.00 0.00 C ATOM 137 CG GLU A 10 -27.764 -19.364 0.322 1.00 0.00 C ATOM 138 CD GLU A 10 -28.061 -20.437 -0.727 1.00 0.00 C ATOM 139 OE1 GLU A 10 -28.634 -21.451 -0.363 1.00 0.00 O ATOM 140 OE2 GLU A 10 -27.713 -20.226 -1.879 1.00 0.00 O ATOM 0 H GLU A 10 -28.829 -16.980 0.723 1.00 0.00 H new ATOM 0 HA GLU A 10 -29.371 -18.261 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -28.908 -20.334 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -29.838 -19.206 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.702 -18.385 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.797 -19.554 0.788 1.00 0.00 H new ATOM 147 N VAL A 11 -26.936 -19.760 3.331 1.00 0.00 N ATOM 148 CA VAL A 11 -25.651 -20.109 4.003 1.00 0.00 C ATOM 149 C VAL A 11 -24.454 -19.717 3.125 1.00 0.00 C ATOM 150 O VAL A 11 -24.436 -19.933 1.927 1.00 0.00 O ATOM 151 CB VAL A 11 -25.628 -21.615 4.287 1.00 0.00 C ATOM 152 CG1 VAL A 11 -25.519 -22.403 2.979 1.00 0.00 C ATOM 153 CG2 VAL A 11 -24.433 -21.945 5.182 1.00 0.00 C ATOM 0 H VAL A 11 -27.523 -20.558 3.088 1.00 0.00 H new ATOM 0 HA VAL A 11 -25.576 -19.557 4.940 1.00 0.00 H new ATOM 0 HB VAL A 11 -26.554 -21.894 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -25.504 -23.471 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -26.375 -22.175 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -24.600 -22.125 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -24.415 -23.016 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.511 -21.656 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.520 -21.399 6.121 1.00 0.00 H new ATOM 163 N CYS A 12 -23.456 -19.132 3.731 1.00 0.00 N ATOM 164 CA CYS A 12 -22.243 -18.704 2.975 1.00 0.00 C ATOM 165 C CYS A 12 -21.570 -19.916 2.329 1.00 0.00 C ATOM 166 O CYS A 12 -21.272 -19.909 1.152 1.00 0.00 O ATOM 167 CB CYS A 12 -21.265 -18.025 3.952 1.00 0.00 C ATOM 168 SG CYS A 12 -20.390 -16.677 3.118 1.00 0.00 S ATOM 0 H CYS A 12 -23.429 -18.930 4.730 1.00 0.00 H new ATOM 0 HA CYS A 12 -22.530 -18.006 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -21.809 -17.638 4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -20.549 -18.756 4.329 1.00 0.00 H new ATOM 0 HG CYS A 12 -19.570 -16.110 3.952 1.00 0.00 H new ATOM 174 N GLU A 13 -21.327 -20.944 3.102 1.00 0.00 N ATOM 175 CA GLU A 13 -20.659 -22.175 2.567 1.00 0.00 C ATOM 176 C GLU A 13 -19.594 -21.809 1.524 1.00 0.00 C ATOM 177 O GLU A 13 -18.433 -21.627 1.833 1.00 0.00 O ATOM 178 CB GLU A 13 -21.703 -23.094 1.926 1.00 0.00 C ATOM 179 CG GLU A 13 -21.016 -24.363 1.407 1.00 0.00 C ATOM 180 CD GLU A 13 -22.064 -25.332 0.860 1.00 0.00 C ATOM 181 OE1 GLU A 13 -23.201 -24.917 0.707 1.00 0.00 O ATOM 182 OE2 GLU A 13 -21.712 -26.469 0.600 1.00 0.00 O ATOM 0 H GLU A 13 -21.565 -20.985 4.093 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.174 -22.689 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -22.470 -23.355 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -22.204 -22.578 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.301 -24.107 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.453 -24.837 2.211 1.00 0.00 H new ATOM 189 N ALA A 14 -19.990 -21.718 0.287 1.00 0.00 N ATOM 190 CA ALA A 14 -19.028 -21.385 -0.797 1.00 0.00 C ATOM 191 C ALA A 14 -18.610 -19.913 -0.720 1.00 0.00 C ATOM 192 O ALA A 14 -19.022 -19.172 0.150 1.00 0.00 O ATOM 193 CB ALA A 14 -19.688 -21.652 -2.147 1.00 0.00 C ATOM 0 H ALA A 14 -20.951 -21.862 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 14 -18.139 -22.005 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.989 -21.410 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.967 -22.704 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.580 -21.033 -2.245 1.00 0.00 H new ATOM 199 N CYS A 15 -17.787 -19.496 -1.641 1.00 0.00 N ATOM 200 CA CYS A 15 -17.320 -18.082 -1.661 1.00 0.00 C ATOM 201 C CYS A 15 -18.521 -17.156 -1.865 1.00 0.00 C ATOM 202 O CYS A 15 -18.605 -16.085 -1.291 1.00 0.00 O ATOM 203 CB CYS A 15 -16.332 -17.910 -2.821 1.00 0.00 C ATOM 204 SG CYS A 15 -14.861 -18.920 -2.516 1.00 0.00 S ATOM 0 H CYS A 15 -17.414 -20.081 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 15 -16.832 -17.832 -0.719 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -16.801 -18.206 -3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -16.052 -16.861 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.024 -18.776 -3.500 1.00 0.00 H new ATOM 210 N GLY A 16 -19.452 -17.561 -2.683 1.00 0.00 N ATOM 211 CA GLY A 16 -20.651 -16.711 -2.935 1.00 0.00 C ATOM 212 C GLY A 16 -20.284 -15.591 -3.908 1.00 0.00 C ATOM 213 O GLY A 16 -21.105 -14.765 -4.266 1.00 0.00 O ATOM 0 H GLY A 16 -19.435 -18.446 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.459 -17.316 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.015 -16.289 -1.998 1.00 0.00 H new ATOM 217 N CYS A 17 -19.054 -15.553 -4.342 1.00 0.00 N ATOM 218 CA CYS A 17 -18.636 -14.483 -5.292 1.00 0.00 C ATOM 219 C CYS A 17 -17.416 -14.945 -6.097 1.00 0.00 C ATOM 220 O CYS A 17 -16.653 -15.792 -5.674 1.00 0.00 O ATOM 221 CB CYS A 17 -18.280 -13.214 -4.514 1.00 0.00 C ATOM 222 SG CYS A 17 -16.766 -13.491 -3.564 1.00 0.00 S ATOM 0 H CYS A 17 -18.322 -16.214 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 17 -19.459 -14.274 -5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -18.142 -12.380 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -19.097 -12.944 -3.845 1.00 0.00 H new ATOM 0 HG CYS A 17 -16.202 -14.594 -3.958 1.00 0.00 H new ATOM 228 N ALA A 18 -17.233 -14.375 -7.256 1.00 0.00 N ATOM 229 CA ALA A 18 -16.071 -14.738 -8.125 1.00 0.00 C ATOM 230 C ALA A 18 -15.821 -16.250 -8.112 1.00 0.00 C ATOM 231 O ALA A 18 -16.677 -17.038 -7.760 1.00 0.00 O ATOM 232 CB ALA A 18 -14.814 -14.022 -7.630 1.00 0.00 C ATOM 0 H ALA A 18 -17.848 -13.661 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.304 -14.430 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.969 -14.289 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.971 -12.944 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.605 -14.322 -6.603 1.00 0.00 H new ATOM 238 N GLY A 19 -14.642 -16.657 -8.512 1.00 0.00 N ATOM 239 CA GLY A 19 -14.314 -18.112 -8.548 1.00 0.00 C ATOM 240 C GLY A 19 -13.226 -18.356 -9.599 1.00 0.00 C ATOM 241 O GLY A 19 -12.095 -18.672 -9.285 1.00 0.00 O ATOM 0 H GLY A 19 -13.890 -16.039 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.971 -18.444 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.205 -18.692 -8.788 1.00 0.00 H new ATOM 245 N GLU A 20 -13.570 -18.201 -10.848 1.00 0.00 N ATOM 246 CA GLU A 20 -12.582 -18.413 -11.950 1.00 0.00 C ATOM 247 C GLU A 20 -11.771 -19.691 -11.685 1.00 0.00 C ATOM 248 O GLU A 20 -12.317 -20.769 -11.552 1.00 0.00 O ATOM 249 CB GLU A 20 -11.632 -17.208 -12.042 1.00 0.00 C ATOM 250 CG GLU A 20 -10.878 -17.252 -13.378 1.00 0.00 C ATOM 251 CD GLU A 20 -9.978 -16.025 -13.509 1.00 0.00 C ATOM 252 OE1 GLU A 20 -9.807 -15.334 -12.519 1.00 0.00 O ATOM 253 OE2 GLU A 20 -9.478 -15.798 -14.597 1.00 0.00 O ATOM 0 H GLU A 20 -14.504 -17.933 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.120 -18.517 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.197 -16.279 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.925 -17.224 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.279 -18.161 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.588 -17.283 -14.205 1.00 0.00 H new ATOM 260 N ILE A 21 -10.469 -19.573 -11.611 1.00 0.00 N ATOM 261 CA ILE A 21 -9.598 -20.754 -11.355 1.00 0.00 C ATOM 262 C ILE A 21 -9.058 -20.665 -9.927 1.00 0.00 C ATOM 263 O ILE A 21 -8.788 -21.665 -9.289 1.00 0.00 O ATOM 264 CB ILE A 21 -8.436 -20.736 -12.352 1.00 0.00 C ATOM 265 CG1 ILE A 21 -8.969 -21.004 -13.764 1.00 0.00 C ATOM 266 CG2 ILE A 21 -7.418 -21.810 -11.974 1.00 0.00 C ATOM 267 CD1 ILE A 21 -7.880 -20.704 -14.798 1.00 0.00 C ATOM 0 H ILE A 21 -9.967 -18.692 -11.719 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.163 -21.679 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.953 -19.759 -12.327 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.288 -22.043 -13.850 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.845 -20.384 -13.955 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.592 -21.795 -12.685 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.037 -21.614 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.897 -22.789 -11.995 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.266 -20.897 -15.799 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.581 -19.659 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.016 -21.343 -14.613 1.00 0.00 H new ATOM 279 N GLY A 22 -8.898 -19.473 -9.414 1.00 0.00 N ATOM 280 CA GLY A 22 -8.377 -19.337 -8.022 1.00 0.00 C ATOM 281 C GLY A 22 -7.752 -17.952 -7.815 1.00 0.00 C ATOM 282 O GLY A 22 -8.070 -17.000 -8.498 1.00 0.00 O ATOM 0 H GLY A 22 -9.103 -18.596 -9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.187 -19.487 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.634 -20.110 -7.828 1.00 0.00 H new ATOM 286 N PHE A 23 -6.867 -17.840 -6.857 1.00 0.00 N ATOM 287 CA PHE A 23 -6.218 -16.528 -6.572 1.00 0.00 C ATOM 288 C PHE A 23 -5.097 -16.257 -7.581 1.00 0.00 C ATOM 289 O PHE A 23 -4.304 -17.120 -7.905 1.00 0.00 O ATOM 290 CB PHE A 23 -5.636 -16.562 -5.154 1.00 0.00 C ATOM 291 CG PHE A 23 -6.759 -16.433 -4.151 1.00 0.00 C ATOM 292 CD1 PHE A 23 -7.278 -15.171 -3.848 1.00 0.00 C ATOM 293 CD2 PHE A 23 -7.282 -17.574 -3.531 1.00 0.00 C ATOM 294 CE1 PHE A 23 -8.322 -15.046 -2.924 1.00 0.00 C ATOM 295 CE2 PHE A 23 -8.326 -17.449 -2.605 1.00 0.00 C ATOM 296 CZ PHE A 23 -8.847 -16.185 -2.303 1.00 0.00 C ATOM 0 H PHE A 23 -6.565 -18.608 -6.257 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.959 -15.733 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.094 -17.494 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.920 -15.750 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.873 -14.292 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.881 -18.549 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.722 -14.071 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.729 -18.328 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.654 -16.089 -1.591 1.00 0.00 H new ATOM 306 N ILE A 24 -5.032 -15.049 -8.075 1.00 0.00 N ATOM 307 CA ILE A 24 -3.975 -14.685 -9.063 1.00 0.00 C ATOM 308 C ILE A 24 -2.720 -14.226 -8.326 1.00 0.00 C ATOM 309 O ILE A 24 -2.737 -14.032 -7.126 1.00 0.00 O ATOM 310 CB ILE A 24 -4.500 -13.555 -9.968 1.00 0.00 C ATOM 311 CG1 ILE A 24 -3.421 -13.200 -11.015 1.00 0.00 C ATOM 312 CG2 ILE A 24 -4.882 -12.296 -9.127 1.00 0.00 C ATOM 313 CD1 ILE A 24 -4.070 -12.503 -12.212 1.00 0.00 C ATOM 0 H ILE A 24 -5.672 -14.292 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.726 -15.552 -9.675 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.401 -13.898 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.668 -12.551 -10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.908 -14.104 -11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.250 -11.513 -9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.660 -12.559 -8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.003 -11.935 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.305 -12.255 -12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.806 -13.167 -12.665 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.562 -11.590 -11.878 1.00 0.00 H new ATOM 325 N ILE A 25 -1.634 -14.059 -9.048 1.00 0.00 N ATOM 326 CA ILE A 25 -0.338 -13.614 -8.436 1.00 0.00 C ATOM 327 C ILE A 25 -0.202 -14.173 -7.014 1.00 0.00 C ATOM 328 O ILE A 25 -0.266 -13.463 -6.029 1.00 0.00 O ATOM 329 CB ILE A 25 -0.258 -12.073 -8.440 1.00 0.00 C ATOM 330 CG1 ILE A 25 -1.548 -11.474 -7.846 1.00 0.00 C ATOM 331 CG2 ILE A 25 -0.055 -11.569 -9.896 1.00 0.00 C ATOM 332 CD1 ILE A 25 -1.360 -9.972 -7.636 1.00 0.00 C ATOM 0 H ILE A 25 -1.591 -14.216 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 25 0.491 -14.001 -9.028 1.00 0.00 H new ATOM 0 HB ILE A 25 0.586 -11.755 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.389 -11.656 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.784 -11.958 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.002 -10.480 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.870 -11.982 -10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.894 -11.891 -10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.271 -9.546 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.530 -9.802 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.144 -9.495 -8.592 1.00 0.00 H new ATOM 344 N ARG A 26 -0.030 -15.459 -6.917 1.00 0.00 N ATOM 345 CA ARG A 26 0.093 -16.106 -5.584 1.00 0.00 C ATOM 346 C ARG A 26 1.102 -15.360 -4.710 1.00 0.00 C ATOM 347 O ARG A 26 1.697 -14.379 -5.108 1.00 0.00 O ATOM 348 CB ARG A 26 0.535 -17.561 -5.762 1.00 0.00 C ATOM 349 CG ARG A 26 1.843 -17.612 -6.557 1.00 0.00 C ATOM 350 CD ARG A 26 2.269 -19.072 -6.757 1.00 0.00 C ATOM 351 NE ARG A 26 2.643 -19.668 -5.438 1.00 0.00 N ATOM 352 CZ ARG A 26 3.006 -20.921 -5.357 1.00 0.00 C ATOM 353 NH1 ARG A 26 3.046 -21.671 -6.425 1.00 0.00 N ATOM 354 NH2 ARG A 26 3.333 -21.428 -4.199 1.00 0.00 N ATOM 0 H ARG A 26 0.031 -16.096 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.878 -16.075 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.672 -18.031 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.239 -18.125 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.712 -17.126 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.623 -17.065 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.456 -19.641 -7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.113 -19.125 -7.444 1.00 0.00 H new ATOM 0 HE ARG A 26 2.615 -19.093 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.793 -21.280 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.331 -22.648 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.305 -20.847 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.617 -22.405 -4.132 1.00 0.00 H new ATOM 368 N GLU A 27 1.284 -15.828 -3.507 1.00 0.00 N ATOM 369 CA GLU A 27 2.238 -15.167 -2.576 1.00 0.00 C ATOM 370 C GLU A 27 3.672 -15.473 -3.012 1.00 0.00 C ATOM 371 O GLU A 27 4.450 -16.065 -2.288 1.00 0.00 O ATOM 372 CB GLU A 27 1.993 -15.695 -1.159 1.00 0.00 C ATOM 373 CG GLU A 27 0.606 -15.241 -0.662 1.00 0.00 C ATOM 374 CD GLU A 27 -0.483 -16.184 -1.190 1.00 0.00 C ATOM 375 OE1 GLU A 27 -0.155 -17.063 -1.969 1.00 0.00 O ATOM 376 OE2 GLU A 27 -1.627 -16.011 -0.801 1.00 0.00 O ATOM 0 H GLU A 27 0.809 -16.646 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 27 2.089 -14.087 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.053 -16.783 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.768 -15.328 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.589 -15.228 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.408 -14.222 -0.996 1.00 0.00 H new ATOM 383 N GLY A 28 4.020 -15.069 -4.202 1.00 0.00 N ATOM 384 CA GLY A 28 5.395 -15.325 -4.711 1.00 0.00 C ATOM 385 C GLY A 28 6.376 -14.294 -4.147 1.00 0.00 C ATOM 386 O GLY A 28 5.995 -13.329 -3.513 1.00 0.00 O ATOM 0 H GLY A 28 3.407 -14.570 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.712 -16.329 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.400 -15.282 -5.800 1.00 0.00 H new ATOM 390 N ASP A 29 7.643 -14.499 -4.385 1.00 0.00 N ATOM 391 CA ASP A 29 8.677 -13.547 -3.885 1.00 0.00 C ATOM 392 C ASP A 29 8.592 -12.237 -4.673 1.00 0.00 C ATOM 393 O ASP A 29 9.194 -11.241 -4.321 1.00 0.00 O ATOM 394 CB ASP A 29 10.060 -14.169 -4.081 1.00 0.00 C ATOM 395 CG ASP A 29 10.245 -15.325 -3.097 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.489 -15.391 -2.142 1.00 0.00 O ATOM 397 OD2 ASP A 29 11.136 -16.129 -3.319 1.00 0.00 O ATOM 0 H ASP A 29 8.010 -15.293 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 29 8.509 -13.342 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.167 -14.528 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.834 -13.417 -3.925 1.00 0.00 H new ATOM 402 N ASP A 30 7.842 -12.229 -5.742 1.00 0.00 N ATOM 403 CA ASP A 30 7.707 -10.986 -6.558 1.00 0.00 C ATOM 404 C ASP A 30 6.497 -10.197 -6.063 1.00 0.00 C ATOM 405 O ASP A 30 6.071 -9.238 -6.679 1.00 0.00 O ATOM 406 CB ASP A 30 7.517 -11.358 -8.034 1.00 0.00 C ATOM 407 CG ASP A 30 6.358 -12.349 -8.175 1.00 0.00 C ATOM 408 OD1 ASP A 30 5.881 -12.824 -7.159 1.00 0.00 O ATOM 409 OD2 ASP A 30 5.975 -12.625 -9.301 1.00 0.00 O ATOM 0 H ASP A 30 7.315 -13.032 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 30 8.606 -10.378 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.315 -10.462 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.433 -11.797 -8.428 1.00 0.00 H new ATOM 414 N VAL A 31 5.937 -10.600 -4.947 1.00 0.00 N ATOM 415 CA VAL A 31 4.742 -9.888 -4.390 1.00 0.00 C ATOM 416 C VAL A 31 5.088 -9.292 -3.029 1.00 0.00 C ATOM 417 O VAL A 31 6.047 -9.679 -2.390 1.00 0.00 O ATOM 418 CB VAL A 31 3.589 -10.881 -4.222 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.301 -10.121 -3.885 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.397 -11.662 -5.525 1.00 0.00 C ATOM 0 H VAL A 31 6.258 -11.396 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 31 4.448 -9.092 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 31 3.821 -11.574 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.481 -10.829 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.438 -9.566 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.066 -9.427 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.576 -12.370 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.165 -10.969 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.312 -12.204 -5.763 1.00 0.00 H new ATOM 430 N ALA A 32 4.309 -8.341 -2.584 1.00 0.00 N ATOM 431 CA ALA A 32 4.572 -7.692 -1.267 1.00 0.00 C ATOM 432 C ALA A 32 3.261 -7.547 -0.502 1.00 0.00 C ATOM 433 O ALA A 32 2.200 -7.442 -1.081 1.00 0.00 O ATOM 434 CB ALA A 32 5.178 -6.308 -1.499 1.00 0.00 C ATOM 0 H ALA A 32 3.494 -7.983 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 32 5.265 -8.304 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.372 -5.830 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.113 -6.408 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.482 -5.698 -2.074 1.00 0.00 H new ATOM 440 N GLU A 33 3.332 -7.550 0.802 1.00 0.00 N ATOM 441 CA GLU A 33 2.096 -7.422 1.630 1.00 0.00 C ATOM 442 C GLU A 33 1.946 -5.989 2.126 1.00 0.00 C ATOM 443 O GLU A 33 2.906 -5.320 2.456 1.00 0.00 O ATOM 444 CB GLU A 33 2.197 -8.364 2.828 1.00 0.00 C ATOM 445 CG GLU A 33 2.151 -9.813 2.340 1.00 0.00 C ATOM 446 CD GLU A 33 0.779 -10.110 1.729 1.00 0.00 C ATOM 447 OE1 GLU A 33 -0.156 -9.394 2.051 1.00 0.00 O ATOM 448 OE2 GLU A 33 0.689 -11.039 0.945 1.00 0.00 O ATOM 0 H GLU A 33 4.198 -7.636 1.333 1.00 0.00 H new ATOM 0 HA GLU A 33 1.228 -7.682 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.124 -8.181 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.378 -8.176 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.933 -9.982 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.345 -10.492 3.170 1.00 0.00 H new ATOM 455 N VAL A 34 0.729 -5.517 2.172 1.00 0.00 N ATOM 456 CA VAL A 34 0.459 -4.123 2.640 1.00 0.00 C ATOM 457 C VAL A 34 -0.623 -4.157 3.717 1.00 0.00 C ATOM 458 O VAL A 34 -1.628 -4.829 3.590 1.00 0.00 O ATOM 459 CB VAL A 34 -0.017 -3.278 1.459 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.558 -1.935 1.963 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.162 -3.027 0.520 1.00 0.00 C ATOM 0 H VAL A 34 -0.102 -6.044 1.902 1.00 0.00 H new ATOM 0 HA VAL A 34 1.369 -3.687 3.053 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.810 -3.807 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.896 -1.338 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.394 -2.110 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.231 -1.401 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.831 -2.425 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.949 -2.497 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.548 -3.980 0.158 1.00 0.00 H new ATOM 471 N SER A 35 -0.426 -3.428 4.781 1.00 0.00 N ATOM 472 CA SER A 35 -1.441 -3.406 5.874 1.00 0.00 C ATOM 473 C SER A 35 -1.532 -1.996 6.439 1.00 0.00 C ATOM 474 O SER A 35 -0.561 -1.442 6.920 1.00 0.00 O ATOM 475 CB SER A 35 -1.026 -4.371 6.982 1.00 0.00 C ATOM 476 OG SER A 35 0.237 -3.978 7.499 1.00 0.00 O ATOM 0 H SER A 35 0.396 -2.845 4.942 1.00 0.00 H new ATOM 0 HA SER A 35 -2.410 -3.710 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.772 -4.373 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.972 -5.388 6.593 1.00 0.00 H new ATOM 0 HG SER A 35 0.304 -3.000 7.491 1.00 0.00 H new ATOM 482 N LEU A 36 -2.702 -1.407 6.379 1.00 0.00 N ATOM 483 CA LEU A 36 -2.886 -0.019 6.908 1.00 0.00 C ATOM 484 C LEU A 36 -3.977 -0.019 7.978 1.00 0.00 C ATOM 485 O LEU A 36 -5.017 -0.628 7.823 1.00 0.00 O ATOM 486 CB LEU A 36 -3.296 0.918 5.766 1.00 0.00 C ATOM 487 CG LEU A 36 -3.382 2.365 6.282 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.004 2.843 6.784 1.00 0.00 C ATOM 489 CD2 LEU A 36 -3.868 3.275 5.149 1.00 0.00 C ATOM 0 H LEU A 36 -3.542 -1.831 5.984 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.948 0.326 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.572 0.855 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.259 0.610 5.359 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.084 2.406 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.084 3.868 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.669 2.197 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.284 2.801 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.931 4.302 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.167 3.225 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.852 2.946 4.815 1.00 0.00 H new ATOM 501 N PHE A 37 -3.740 0.669 9.067 1.00 0.00 N ATOM 502 CA PHE A 37 -4.747 0.729 10.170 1.00 0.00 C ATOM 503 C PHE A 37 -5.374 2.122 10.212 1.00 0.00 C ATOM 504 O PHE A 37 -4.692 3.129 10.192 1.00 0.00 O ATOM 505 CB PHE A 37 -4.051 0.448 11.503 1.00 0.00 C ATOM 506 CG PHE A 37 -5.057 0.544 12.627 1.00 0.00 C ATOM 507 CD1 PHE A 37 -5.977 -0.491 12.831 1.00 0.00 C ATOM 508 CD2 PHE A 37 -5.072 1.668 13.464 1.00 0.00 C ATOM 509 CE1 PHE A 37 -6.910 -0.404 13.871 1.00 0.00 C ATOM 510 CE2 PHE A 37 -6.006 1.754 14.504 1.00 0.00 C ATOM 511 CZ PHE A 37 -6.926 0.719 14.707 1.00 0.00 C ATOM 0 H PHE A 37 -2.884 1.196 9.240 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.524 -0.015 9.996 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.600 -0.544 11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.243 1.163 11.661 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.967 -1.357 12.186 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.363 2.468 13.307 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.618 -1.204 14.029 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.016 2.620 15.150 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.648 0.787 15.508 1.00 0.00 H new ATOM 521 N GLY A 38 -6.677 2.185 10.262 1.00 0.00 N ATOM 522 CA GLY A 38 -7.358 3.508 10.297 1.00 0.00 C ATOM 523 C GLY A 38 -8.856 3.318 10.551 1.00 0.00 C ATOM 524 O GLY A 38 -9.291 2.306 11.068 1.00 0.00 O ATOM 0 H GLY A 38 -7.298 1.376 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.924 4.129 11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.204 4.031 9.353 1.00 0.00 H new ATOM 528 N SER A 39 -9.639 4.298 10.203 1.00 0.00 N ATOM 529 CA SER A 39 -11.114 4.217 10.429 1.00 0.00 C ATOM 530 C SER A 39 -11.779 3.294 9.400 1.00 0.00 C ATOM 531 O SER A 39 -11.218 2.305 8.968 1.00 0.00 O ATOM 532 CB SER A 39 -11.711 5.619 10.307 1.00 0.00 C ATOM 533 OG SER A 39 -13.110 5.563 10.555 1.00 0.00 O ATOM 0 H SER A 39 -9.320 5.163 9.766 1.00 0.00 H new ATOM 0 HA SER A 39 -11.294 3.809 11.424 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.232 6.293 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.523 6.020 9.311 1.00 0.00 H new ATOM 0 HG SER A 39 -13.492 6.462 10.478 1.00 0.00 H new ATOM 539 N ASP A 40 -12.990 3.607 9.029 1.00 0.00 N ATOM 540 CA ASP A 40 -13.737 2.758 8.054 1.00 0.00 C ATOM 541 C ASP A 40 -12.910 2.507 6.789 1.00 0.00 C ATOM 542 O ASP A 40 -11.826 3.025 6.612 1.00 0.00 O ATOM 543 CB ASP A 40 -15.039 3.462 7.665 1.00 0.00 C ATOM 544 CG ASP A 40 -16.007 3.437 8.849 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.748 2.698 9.785 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.990 4.159 8.802 1.00 0.00 O ATOM 0 H ASP A 40 -13.501 4.424 9.363 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.947 1.799 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.834 4.491 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.489 2.968 6.804 1.00 0.00 H new ATOM 551 N LYS A 41 -13.439 1.707 5.904 1.00 0.00 N ATOM 552 CA LYS A 41 -12.731 1.395 4.630 1.00 0.00 C ATOM 553 C LYS A 41 -12.548 2.678 3.818 1.00 0.00 C ATOM 554 O LYS A 41 -11.504 2.921 3.243 1.00 0.00 O ATOM 555 CB LYS A 41 -13.579 0.407 3.831 1.00 0.00 C ATOM 556 CG LYS A 41 -12.831 -0.020 2.564 1.00 0.00 C ATOM 557 CD LYS A 41 -13.690 -0.995 1.743 1.00 0.00 C ATOM 558 CE LYS A 41 -13.650 -2.397 2.365 1.00 0.00 C ATOM 559 NZ LYS A 41 -14.281 -3.372 1.434 1.00 0.00 N ATOM 0 H LYS A 41 -14.345 1.250 6.011 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.753 0.964 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.806 -0.467 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.531 0.865 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.588 0.857 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.887 -0.494 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.719 -0.638 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.326 -1.035 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.619 -2.687 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.175 -2.398 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.392 -4.288 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.214 -3.019 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.678 -3.491 0.595 1.00 0.00 H new ATOM 573 N ALA A 42 -13.558 3.493 3.758 1.00 0.00 N ATOM 574 CA ALA A 42 -13.455 4.759 2.976 1.00 0.00 C ATOM 575 C ALA A 42 -12.224 5.546 3.434 1.00 0.00 C ATOM 576 O ALA A 42 -11.465 6.061 2.635 1.00 0.00 O ATOM 577 CB ALA A 42 -14.709 5.600 3.224 1.00 0.00 C ATOM 0 H ALA A 42 -14.456 3.340 4.217 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.364 4.528 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.643 6.528 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.590 5.042 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.789 5.830 4.287 1.00 0.00 H new ATOM 583 N HIS A 43 -12.023 5.643 4.716 1.00 0.00 N ATOM 584 CA HIS A 43 -10.842 6.393 5.237 1.00 0.00 C ATOM 585 C HIS A 43 -9.551 5.704 4.778 1.00 0.00 C ATOM 586 O HIS A 43 -8.600 6.341 4.364 1.00 0.00 O ATOM 587 CB HIS A 43 -10.898 6.399 6.766 1.00 0.00 C ATOM 588 CG HIS A 43 -9.744 7.193 7.310 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.655 8.565 7.152 1.00 0.00 N ATOM 590 CD2 HIS A 43 -8.623 6.821 8.012 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.517 8.969 7.744 1.00 0.00 C ATOM 592 NE2 HIS A 43 -7.850 7.946 8.284 1.00 0.00 N ATOM 0 H HIS A 43 -12.626 5.235 5.431 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.857 7.415 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.840 6.830 7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.861 5.378 7.145 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -10.330 9.162 6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.379 5.811 8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.183 9.996 7.778 1.00 0.00 H new ATOM 600 N LEU A 44 -9.515 4.406 4.857 1.00 0.00 N ATOM 601 CA LEU A 44 -8.296 3.654 4.434 1.00 0.00 C ATOM 602 C LEU A 44 -8.068 3.843 2.933 1.00 0.00 C ATOM 603 O LEU A 44 -6.953 3.990 2.473 1.00 0.00 O ATOM 604 CB LEU A 44 -8.494 2.167 4.731 1.00 0.00 C ATOM 605 CG LEU A 44 -8.571 1.943 6.250 1.00 0.00 C ATOM 606 CD1 LEU A 44 -8.940 0.481 6.532 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.218 2.277 6.911 1.00 0.00 C ATOM 0 H LEU A 44 -10.281 3.826 5.198 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.431 4.029 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.408 1.811 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.670 1.590 4.311 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.334 2.600 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.995 0.321 7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.907 0.257 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.181 -0.175 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.288 2.114 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.442 1.634 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.966 3.320 6.718 1.00 0.00 H new ATOM 619 N GLU A 45 -9.118 3.833 2.165 1.00 0.00 N ATOM 620 CA GLU A 45 -8.973 4.005 0.691 1.00 0.00 C ATOM 621 C GLU A 45 -8.335 5.362 0.387 1.00 0.00 C ATOM 622 O GLU A 45 -7.521 5.495 -0.508 1.00 0.00 O ATOM 623 CB GLU A 45 -10.356 3.929 0.042 1.00 0.00 C ATOM 624 CG GLU A 45 -10.869 2.489 0.104 1.00 0.00 C ATOM 625 CD GLU A 45 -12.298 2.418 -0.439 1.00 0.00 C ATOM 626 OE1 GLU A 45 -12.817 3.449 -0.830 1.00 0.00 O ATOM 627 OE2 GLU A 45 -12.849 1.328 -0.455 1.00 0.00 O ATOM 0 H GLU A 45 -10.076 3.713 2.494 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.335 3.217 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.048 4.596 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.302 4.263 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.217 1.837 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.844 2.129 1.133 1.00 0.00 H new ATOM 634 N GLY A 46 -8.697 6.374 1.125 1.00 0.00 N ATOM 635 CA GLY A 46 -8.111 7.726 0.881 1.00 0.00 C ATOM 636 C GLY A 46 -6.598 7.683 1.116 1.00 0.00 C ATOM 637 O GLY A 46 -5.812 8.082 0.278 1.00 0.00 O ATOM 0 H GLY A 46 -9.373 6.326 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.321 8.045 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.571 8.458 1.545 1.00 0.00 H new ATOM 641 N LYS A 47 -6.187 7.189 2.249 1.00 0.00 N ATOM 642 CA LYS A 47 -4.728 7.095 2.546 1.00 0.00 C ATOM 643 C LYS A 47 -4.077 6.068 1.618 1.00 0.00 C ATOM 644 O LYS A 47 -2.954 6.226 1.177 1.00 0.00 O ATOM 645 CB LYS A 47 -4.532 6.668 4.001 1.00 0.00 C ATOM 646 CG LYS A 47 -4.881 7.831 4.931 1.00 0.00 C ATOM 647 CD LYS A 47 -4.673 7.405 6.386 1.00 0.00 C ATOM 648 CE LYS A 47 -4.923 8.598 7.309 1.00 0.00 C ATOM 649 NZ LYS A 47 -4.711 8.184 8.726 1.00 0.00 N ATOM 0 H LYS A 47 -6.801 6.844 2.987 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.263 8.068 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.163 5.808 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.500 6.357 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.256 8.694 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.916 8.137 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.351 6.589 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.659 7.031 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.250 9.416 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.940 8.968 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.268 8.964 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.627 7.949 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.090 7.350 8.755 1.00 0.00 H new ATOM 663 N LEU A 48 -4.775 5.009 1.336 1.00 0.00 N ATOM 664 CA LEU A 48 -4.212 3.947 0.454 1.00 0.00 C ATOM 665 C LEU A 48 -3.923 4.534 -0.928 1.00 0.00 C ATOM 666 O LEU A 48 -2.925 4.220 -1.549 1.00 0.00 O ATOM 667 CB LEU A 48 -5.235 2.818 0.310 1.00 0.00 C ATOM 668 CG LEU A 48 -4.615 1.627 -0.441 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.637 0.867 0.470 1.00 0.00 C ATOM 670 CD2 LEU A 48 -5.731 0.680 -0.901 1.00 0.00 C ATOM 0 H LEU A 48 -5.718 4.829 1.679 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.291 3.562 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.575 2.498 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.112 3.179 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.067 2.001 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.208 0.028 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.840 1.539 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.169 0.495 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.295 -0.165 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.281 0.317 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.411 1.214 -1.564 1.00 0.00 H new ATOM 682 N ALA A 49 -4.800 5.372 -1.413 1.00 0.00 N ATOM 683 CA ALA A 49 -4.604 5.989 -2.763 1.00 0.00 C ATOM 684 C ALA A 49 -3.131 6.366 -2.957 1.00 0.00 C ATOM 685 O ALA A 49 -2.596 6.306 -4.047 1.00 0.00 O ATOM 686 CB ALA A 49 -5.458 7.253 -2.856 1.00 0.00 C ATOM 0 H ALA A 49 -5.651 5.659 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.897 5.276 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.324 7.712 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.508 6.994 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.153 7.956 -2.081 1.00 0.00 H new ATOM 692 N GLU A 50 -2.473 6.748 -1.900 1.00 0.00 N ATOM 693 CA GLU A 50 -1.033 7.121 -2.004 1.00 0.00 C ATOM 694 C GLU A 50 -0.198 5.873 -2.310 1.00 0.00 C ATOM 695 O GLU A 50 0.754 5.913 -3.066 1.00 0.00 O ATOM 696 CB GLU A 50 -0.576 7.717 -0.672 1.00 0.00 C ATOM 697 CG GLU A 50 -1.340 9.013 -0.385 1.00 0.00 C ATOM 698 CD GLU A 50 -0.928 10.091 -1.390 1.00 0.00 C ATOM 699 OE1 GLU A 50 0.031 9.868 -2.111 1.00 0.00 O ATOM 700 OE2 GLU A 50 -1.568 11.129 -1.409 1.00 0.00 O ATOM 0 H GLU A 50 -2.871 6.819 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.901 7.849 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.744 7.001 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.495 7.916 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.413 8.835 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.133 9.351 0.630 1.00 0.00 H new ATOM 707 N TYR A 51 -0.545 4.765 -1.719 1.00 0.00 N ATOM 708 CA TYR A 51 0.223 3.507 -1.962 1.00 0.00 C ATOM 709 C TYR A 51 0.134 3.123 -3.441 1.00 0.00 C ATOM 710 O TYR A 51 1.113 2.767 -4.066 1.00 0.00 O ATOM 711 CB TYR A 51 -0.374 2.383 -1.110 1.00 0.00 C ATOM 712 CG TYR A 51 0.033 2.567 0.337 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.460 3.653 1.069 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.901 1.650 0.947 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.084 3.826 2.406 1.00 0.00 C ATOM 716 CE2 TYR A 51 1.275 1.823 2.284 1.00 0.00 C ATOM 717 CZ TYR A 51 0.783 2.912 3.013 1.00 0.00 C ATOM 718 OH TYR A 51 1.155 3.083 4.330 1.00 0.00 O ATOM 0 H TYR A 51 -1.331 4.673 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 51 1.268 3.662 -1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.461 2.387 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.029 1.415 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.131 4.358 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.281 0.810 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.464 4.666 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.943 1.116 2.754 1.00 0.00 H new ATOM 0 HH TYR A 51 1.760 2.359 4.596 1.00 0.00 H new ATOM 728 N ILE A 52 -1.040 3.187 -4.000 1.00 0.00 N ATOM 729 CA ILE A 52 -1.204 2.820 -5.437 1.00 0.00 C ATOM 730 C ILE A 52 -0.439 3.814 -6.319 1.00 0.00 C ATOM 731 O ILE A 52 0.242 3.439 -7.256 1.00 0.00 O ATOM 732 CB ILE A 52 -2.692 2.866 -5.797 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.431 1.751 -5.048 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.868 2.669 -7.305 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.942 1.959 -5.177 1.00 0.00 C ATOM 0 H ILE A 52 -1.895 3.477 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.810 1.817 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.102 3.835 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.152 0.779 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.142 1.752 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.928 2.703 -7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.344 3.462 -7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.457 1.702 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.465 1.165 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.214 2.924 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.224 1.936 -6.230 1.00 0.00 H new ATOM 747 N SER A 53 -0.550 5.080 -6.030 1.00 0.00 N ATOM 748 CA SER A 53 0.162 6.103 -6.853 1.00 0.00 C ATOM 749 C SER A 53 1.676 5.887 -6.750 1.00 0.00 C ATOM 750 O SER A 53 2.394 5.920 -7.732 1.00 0.00 O ATOM 751 CB SER A 53 -0.184 7.494 -6.325 1.00 0.00 C ATOM 752 OG SER A 53 -1.575 7.732 -6.499 1.00 0.00 O ATOM 0 H SER A 53 -1.103 5.453 -5.259 1.00 0.00 H new ATOM 0 HA SER A 53 -0.146 6.011 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.080 7.571 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.395 8.251 -6.855 1.00 0.00 H new ATOM 0 HG SER A 53 -2.071 7.333 -5.754 1.00 0.00 H new ATOM 758 N LEU A 54 2.162 5.668 -5.562 1.00 0.00 N ATOM 759 CA LEU A 54 3.625 5.445 -5.373 1.00 0.00 C ATOM 760 C LEU A 54 4.042 4.139 -6.053 1.00 0.00 C ATOM 761 O LEU A 54 5.099 4.041 -6.646 1.00 0.00 O ATOM 762 CB LEU A 54 3.937 5.367 -3.874 1.00 0.00 C ATOM 763 CG LEU A 54 3.739 6.746 -3.220 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.810 6.602 -1.693 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.826 7.733 -3.700 1.00 0.00 C ATOM 0 H LEU A 54 1.607 5.633 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 54 4.178 6.272 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.287 4.633 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.963 5.029 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 54 2.763 7.136 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.670 7.578 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.027 5.923 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.784 6.202 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.671 8.703 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.810 7.351 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.765 7.843 -4.783 1.00 0.00 H new ATOM 777 N ALA A 55 3.223 3.133 -5.959 1.00 0.00 N ATOM 778 CA ALA A 55 3.567 1.826 -6.587 1.00 0.00 C ATOM 779 C ALA A 55 3.712 2.004 -8.101 1.00 0.00 C ATOM 780 O ALA A 55 4.574 1.424 -8.731 1.00 0.00 O ATOM 781 CB ALA A 55 2.449 0.821 -6.295 1.00 0.00 C ATOM 0 H ALA A 55 2.326 3.157 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 55 4.508 1.460 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.694 -0.138 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.346 0.694 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.510 1.191 -6.708 1.00 0.00 H new ATOM 787 N LYS A 56 2.872 2.805 -8.687 1.00 0.00 N ATOM 788 CA LYS A 56 2.957 3.033 -10.158 1.00 0.00 C ATOM 789 C LYS A 56 4.281 3.720 -10.494 1.00 0.00 C ATOM 790 O LYS A 56 4.947 3.386 -11.455 1.00 0.00 O ATOM 791 CB LYS A 56 1.805 3.936 -10.591 1.00 0.00 C ATOM 792 CG LYS A 56 0.484 3.168 -10.500 1.00 0.00 C ATOM 793 CD LYS A 56 -0.692 4.118 -10.765 1.00 0.00 C ATOM 794 CE LYS A 56 -0.792 4.437 -12.261 1.00 0.00 C ATOM 795 NZ LYS A 56 -2.081 5.129 -12.534 1.00 0.00 N ATOM 0 H LYS A 56 2.127 3.315 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 56 2.899 2.077 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.766 4.821 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.966 4.282 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.476 2.354 -11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.383 2.717 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.621 3.663 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.559 5.039 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.043 5.067 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.729 3.519 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.150 5.346 -13.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.871 4.512 -12.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.123 6.013 -11.987 1.00 0.00 H new ATOM 809 N GLN A 57 4.665 4.685 -9.707 1.00 0.00 N ATOM 810 CA GLN A 57 5.943 5.403 -9.972 1.00 0.00 C ATOM 811 C GLN A 57 7.122 4.459 -9.720 1.00 0.00 C ATOM 812 O GLN A 57 8.083 4.427 -10.466 1.00 0.00 O ATOM 813 CB GLN A 57 6.045 6.606 -9.031 1.00 0.00 C ATOM 814 CG GLN A 57 4.964 7.634 -9.378 1.00 0.00 C ATOM 815 CD GLN A 57 5.257 8.239 -10.753 1.00 0.00 C ATOM 816 OE1 GLN A 57 4.689 7.826 -11.745 1.00 0.00 O ATOM 817 NE2 GLN A 57 6.129 9.204 -10.855 1.00 0.00 N ATOM 0 H GLN A 57 4.148 5.009 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 57 5.966 5.741 -11.008 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.931 6.280 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.032 7.061 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.983 7.159 -9.379 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.937 8.419 -8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.606 9.551 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.334 9.612 -11.767 1.00 0.00 H new ATOM 826 N VAL A 58 7.054 3.689 -8.670 1.00 0.00 N ATOM 827 CA VAL A 58 8.163 2.740 -8.362 1.00 0.00 C ATOM 828 C VAL A 58 8.262 1.684 -9.466 1.00 0.00 C ATOM 829 O VAL A 58 9.336 1.363 -9.938 1.00 0.00 O ATOM 830 CB VAL A 58 7.880 2.052 -7.023 1.00 0.00 C ATOM 831 CG1 VAL A 58 8.900 0.936 -6.781 1.00 0.00 C ATOM 832 CG2 VAL A 58 7.973 3.079 -5.893 1.00 0.00 C ATOM 0 H VAL A 58 6.277 3.675 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 58 9.104 3.288 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 58 6.879 1.622 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.691 0.453 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.832 0.201 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.904 1.359 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.772 2.590 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.974 3.511 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.240 3.869 -6.058 1.00 0.00 H new ATOM 842 N TYR A 59 7.146 1.132 -9.874 1.00 0.00 N ATOM 843 CA TYR A 59 7.167 0.085 -10.944 1.00 0.00 C ATOM 844 C TYR A 59 6.061 0.365 -11.964 1.00 0.00 C ATOM 845 O TYR A 59 4.891 0.437 -11.637 1.00 0.00 O ATOM 846 CB TYR A 59 6.948 -1.290 -10.312 1.00 0.00 C ATOM 847 CG TYR A 59 7.123 -2.356 -11.365 1.00 0.00 C ATOM 848 CD1 TYR A 59 6.039 -2.737 -12.162 1.00 0.00 C ATOM 849 CD2 TYR A 59 8.373 -2.960 -11.547 1.00 0.00 C ATOM 850 CE1 TYR A 59 6.202 -3.724 -13.141 1.00 0.00 C ATOM 851 CE2 TYR A 59 8.537 -3.948 -12.526 1.00 0.00 C ATOM 852 CZ TYR A 59 7.451 -4.330 -13.323 1.00 0.00 C ATOM 853 OH TYR A 59 7.613 -5.303 -14.287 1.00 0.00 O ATOM 0 H TYR A 59 6.220 1.361 -9.512 1.00 0.00 H new ATOM 0 HA TYR A 59 8.132 0.104 -11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.657 -1.446 -9.499 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.949 -1.350 -9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.076 -2.269 -12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.210 -2.664 -10.933 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.364 -4.018 -13.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.501 -4.415 -12.666 1.00 0.00 H new ATOM 0 HH TYR A 59 8.541 -5.618 -14.281 1.00 0.00 H new ATOM 863 N ALA A 60 6.435 0.531 -13.202 1.00 0.00 N ATOM 864 CA ALA A 60 5.436 0.818 -14.273 1.00 0.00 C ATOM 865 C ALA A 60 4.539 -0.396 -14.517 1.00 0.00 C ATOM 866 O ALA A 60 4.969 -1.532 -14.446 1.00 0.00 O ATOM 867 CB ALA A 60 6.174 1.169 -15.563 1.00 0.00 C ATOM 0 H ALA A 60 7.402 0.480 -13.523 1.00 0.00 H new ATOM 0 HA ALA A 60 4.811 1.653 -13.956 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.450 1.380 -16.350 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.797 2.048 -15.398 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.802 0.330 -15.863 1.00 0.00 H new ATOM 873 N ASN A 61 3.289 -0.153 -14.816 1.00 0.00 N ATOM 874 CA ASN A 61 2.342 -1.272 -15.078 1.00 0.00 C ATOM 875 C ASN A 61 2.302 -2.187 -13.853 1.00 0.00 C ATOM 876 O ASN A 61 2.288 -3.399 -13.956 1.00 0.00 O ATOM 877 CB ASN A 61 2.804 -2.051 -16.315 1.00 0.00 C ATOM 878 CG ASN A 61 1.705 -3.014 -16.758 1.00 0.00 C ATOM 879 OD1 ASN A 61 0.765 -3.265 -16.028 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.786 -3.567 -17.934 1.00 0.00 N ATOM 0 H ASN A 61 2.883 0.780 -14.890 1.00 0.00 H new ATOM 0 HA ASN A 61 1.341 -0.882 -15.265 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.043 -1.360 -17.123 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.716 -2.604 -16.089 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.060 -4.212 -18.245 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.575 -3.355 -18.544 1.00 0.00 H new ATOM 887 N VAL A 62 2.292 -1.599 -12.688 1.00 0.00 N ATOM 888 CA VAL A 62 2.261 -2.405 -11.436 1.00 0.00 C ATOM 889 C VAL A 62 0.898 -3.069 -11.267 1.00 0.00 C ATOM 890 O VAL A 62 -0.136 -2.481 -11.518 1.00 0.00 O ATOM 891 CB VAL A 62 2.552 -1.502 -10.233 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.516 -0.374 -10.154 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.498 -2.333 -8.948 1.00 0.00 C ATOM 0 H VAL A 62 2.304 -0.589 -12.550 1.00 0.00 H new ATOM 0 HA VAL A 62 3.023 -3.182 -11.498 1.00 0.00 H new ATOM 0 HB VAL A 62 3.544 -1.065 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.734 0.261 -9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.557 0.222 -11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.520 -0.802 -10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.705 -1.692 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.507 -2.773 -8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.244 -3.126 -8.996 1.00 0.00 H new ATOM 903 N GLU A 63 0.900 -4.308 -10.841 1.00 0.00 N ATOM 904 CA GLU A 63 -0.378 -5.056 -10.643 1.00 0.00 C ATOM 905 C GLU A 63 -0.603 -5.292 -9.154 1.00 0.00 C ATOM 906 O GLU A 63 0.303 -5.638 -8.419 1.00 0.00 O ATOM 907 CB GLU A 63 -0.288 -6.400 -11.364 1.00 0.00 C ATOM 908 CG GLU A 63 -0.287 -6.157 -12.873 1.00 0.00 C ATOM 909 CD GLU A 63 -0.137 -7.489 -13.611 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.056 -8.507 -12.944 1.00 0.00 O ATOM 911 OE2 GLU A 63 -0.105 -7.466 -14.830 1.00 0.00 O ATOM 0 H GLU A 63 1.743 -4.838 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.209 -4.477 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.619 -6.926 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.130 -7.034 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.213 -5.667 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.530 -5.487 -13.142 1.00 0.00 H new ATOM 918 N TYR A 64 -1.811 -5.097 -8.700 1.00 0.00 N ATOM 919 CA TYR A 64 -2.108 -5.297 -7.255 1.00 0.00 C ATOM 920 C TYR A 64 -3.539 -5.800 -7.087 1.00 0.00 C ATOM 921 O TYR A 64 -4.368 -5.675 -7.968 1.00 0.00 O ATOM 922 CB TYR A 64 -1.944 -3.971 -6.507 1.00 0.00 C ATOM 923 CG TYR A 64 -2.883 -2.934 -7.076 1.00 0.00 C ATOM 924 CD1 TYR A 64 -4.180 -2.804 -6.559 1.00 0.00 C ATOM 925 CD2 TYR A 64 -2.457 -2.090 -8.109 1.00 0.00 C ATOM 926 CE1 TYR A 64 -5.047 -1.834 -7.077 1.00 0.00 C ATOM 927 CE2 TYR A 64 -3.324 -1.119 -8.626 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.619 -0.991 -8.110 1.00 0.00 C ATOM 929 OH TYR A 64 -5.472 -0.033 -8.618 1.00 0.00 O ATOM 0 H TYR A 64 -2.606 -4.807 -9.270 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.415 -6.033 -6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.149 -4.115 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.914 -3.624 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.510 -3.452 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.458 -2.188 -8.508 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.046 -1.736 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.993 -0.469 -9.423 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.017 0.466 -9.328 1.00 0.00 H new ATOM 939 N GLU A 65 -3.830 -6.373 -5.951 1.00 0.00 N ATOM 940 CA GLU A 65 -5.201 -6.897 -5.692 1.00 0.00 C ATOM 941 C GLU A 65 -5.543 -6.684 -4.218 1.00 0.00 C ATOM 942 O GLU A 65 -4.676 -6.678 -3.365 1.00 0.00 O ATOM 943 CB GLU A 65 -5.244 -8.391 -6.015 1.00 0.00 C ATOM 944 CG GLU A 65 -6.659 -8.925 -5.779 1.00 0.00 C ATOM 945 CD GLU A 65 -6.723 -10.400 -6.178 1.00 0.00 C ATOM 946 OE1 GLU A 65 -5.671 -10.987 -6.372 1.00 0.00 O ATOM 947 OE2 GLU A 65 -7.822 -10.916 -6.281 1.00 0.00 O ATOM 0 H GLU A 65 -3.170 -6.502 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.922 -6.372 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.949 -8.558 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.532 -8.930 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.932 -8.809 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.378 -8.349 -6.361 1.00 0.00 H new ATOM 954 N VAL A 66 -6.806 -6.504 -3.913 1.00 0.00 N ATOM 955 CA VAL A 66 -7.224 -6.282 -2.493 1.00 0.00 C ATOM 956 C VAL A 66 -8.017 -7.483 -1.994 1.00 0.00 C ATOM 957 O VAL A 66 -8.948 -7.943 -2.627 1.00 0.00 O ATOM 958 CB VAL A 66 -8.096 -5.033 -2.416 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.513 -4.799 -0.963 1.00 0.00 C ATOM 960 CG2 VAL A 66 -7.299 -3.826 -2.926 1.00 0.00 C ATOM 0 H VAL A 66 -7.569 -6.501 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.338 -6.154 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.986 -5.165 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.137 -3.907 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.076 -5.660 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.624 -4.663 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.919 -2.931 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.411 -3.689 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.999 -3.998 -3.960 1.00 0.00 H new ATOM 970 N ALA A 67 -7.641 -7.998 -0.855 1.00 0.00 N ATOM 971 CA ALA A 67 -8.348 -9.179 -0.294 1.00 0.00 C ATOM 972 C ALA A 67 -9.655 -8.726 0.379 1.00 0.00 C ATOM 973 O ALA A 67 -9.889 -7.548 0.557 1.00 0.00 O ATOM 974 CB ALA A 67 -7.429 -9.877 0.731 1.00 0.00 C ATOM 0 H ALA A 67 -6.869 -7.647 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.592 -9.881 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.941 -10.745 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.512 -10.199 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.184 -9.181 1.533 1.00 0.00 H new ATOM 980 N PRO A 68 -10.494 -9.659 0.759 1.00 0.00 N ATOM 981 CA PRO A 68 -11.793 -9.344 1.431 1.00 0.00 C ATOM 982 C PRO A 68 -11.610 -8.468 2.681 1.00 0.00 C ATOM 983 O PRO A 68 -10.956 -8.850 3.634 1.00 0.00 O ATOM 984 CB PRO A 68 -12.349 -10.730 1.811 1.00 0.00 C ATOM 985 CG PRO A 68 -11.700 -11.675 0.855 1.00 0.00 C ATOM 986 CD PRO A 68 -10.308 -11.113 0.593 1.00 0.00 C ATOM 0 HA PRO A 68 -12.457 -8.771 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.108 -10.984 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.435 -10.759 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.643 -12.679 1.276 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.272 -11.749 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.575 -11.508 1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.955 -11.362 -0.408 1.00 0.00 H new ATOM 994 N VAL A 69 -12.194 -7.294 2.678 1.00 0.00 N ATOM 995 CA VAL A 69 -12.075 -6.379 3.858 1.00 0.00 C ATOM 996 C VAL A 69 -13.461 -5.846 4.239 1.00 0.00 C ATOM 997 O VAL A 69 -14.229 -5.409 3.403 1.00 0.00 O ATOM 998 CB VAL A 69 -11.155 -5.210 3.510 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.189 -4.178 4.640 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -9.725 -5.729 3.337 1.00 0.00 C ATOM 0 H VAL A 69 -12.751 -6.928 1.906 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.656 -6.930 4.700 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.491 -4.743 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.532 -3.344 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.208 -3.812 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.851 -4.642 5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.064 -4.899 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.392 -6.193 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.700 -6.466 2.534 1.00 0.00 H new ATOM 1010 N ALA A 70 -13.777 -5.882 5.505 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.104 -5.382 5.971 1.00 0.00 C ATOM 1012 C ALA A 70 -15.099 -3.850 6.042 1.00 0.00 C ATOM 1013 O ALA A 70 -14.065 -3.217 6.130 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.399 -5.965 7.358 1.00 0.00 C ATOM 0 H ALA A 70 -13.169 -6.239 6.242 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.875 -5.695 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.367 -5.604 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.417 -7.053 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.623 -5.652 8.057 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.259 -3.259 5.998 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.362 -1.771 6.056 1.00 0.00 C ATOM 1022 C ASP A 71 -15.845 -1.277 7.414 1.00 0.00 C ATOM 1023 O ASP A 71 -15.220 -0.238 7.514 1.00 0.00 O ATOM 1024 CB ASP A 71 -17.838 -1.379 5.897 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.216 -1.314 4.412 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.339 -1.484 3.582 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.388 -1.114 4.132 1.00 0.00 O ATOM 0 H ASP A 71 -17.152 -3.747 5.923 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.767 -1.322 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.471 -2.104 6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.017 -0.412 6.367 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.110 -2.013 8.459 1.00 0.00 N ATOM 1033 CA ASN A 72 -15.648 -1.599 9.819 1.00 0.00 C ATOM 1034 C ASN A 72 -14.441 -2.452 10.214 1.00 0.00 C ATOM 1035 O ASN A 72 -14.191 -2.702 11.378 1.00 0.00 O ATOM 1036 CB ASN A 72 -16.789 -1.805 10.818 1.00 0.00 C ATOM 1037 CG ASN A 72 -16.417 -1.176 12.162 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -15.893 0.020 12.182 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -16.605 -1.776 13.200 1.00 0.00 N flip ATOM 0 H ASN A 72 -16.630 -2.890 8.431 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.360 -0.548 9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.705 -1.355 10.436 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.986 -2.869 10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.014 -2.710 13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.354 -1.346 14.090 1.00 0.00 H new ATOM 1046 N ALA A 73 -13.684 -2.898 9.246 1.00 0.00 N ATOM 1047 CA ALA A 73 -12.483 -3.730 9.551 1.00 0.00 C ATOM 1048 C ALA A 73 -11.398 -2.828 10.144 1.00 0.00 C ATOM 1049 O ALA A 73 -10.386 -3.291 10.640 1.00 0.00 O ATOM 1050 CB ALA A 73 -11.966 -4.364 8.254 1.00 0.00 C ATOM 0 H ALA A 73 -13.846 -2.721 8.255 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.742 -4.516 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.088 -4.973 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.745 -4.991 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.697 -3.579 7.547 1.00 0.00 H new ATOM 1056 N THR A 74 -11.602 -1.540 10.091 1.00 0.00 N ATOM 1057 CA THR A 74 -10.589 -0.591 10.642 1.00 0.00 C ATOM 1058 C THR A 74 -9.205 -0.948 10.096 1.00 0.00 C ATOM 1059 O THR A 74 -8.195 -0.437 10.538 1.00 0.00 O ATOM 1060 CB THR A 74 -10.584 -0.676 12.172 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.158 -1.970 12.575 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.998 -0.413 12.697 1.00 0.00 C ATOM 0 H THR A 74 -12.430 -1.101 9.688 1.00 0.00 H new ATOM 0 HA THR A 74 -10.842 0.426 10.342 1.00 0.00 H new ATOM 0 HB THR A 74 -9.900 0.070 12.578 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.903 -2.491 11.785 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.999 -0.473 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.322 0.581 12.388 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.681 -1.160 12.292 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.153 -1.818 9.129 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.841 -2.204 8.546 1.00 0.00 C ATOM 1072 C GLU A 75 -8.049 -2.668 7.109 1.00 0.00 C ATOM 1073 O GLU A 75 -9.104 -3.148 6.742 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.221 -3.338 9.360 1.00 0.00 C ATOM 1075 CG GLU A 75 -5.844 -3.683 8.783 1.00 0.00 C ATOM 1076 CD GLU A 75 -5.175 -4.745 9.654 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.644 -4.956 10.761 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -4.206 -5.330 9.200 1.00 0.00 O ATOM 0 H GLU A 75 -9.964 -2.279 8.717 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.171 -1.344 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.126 -3.041 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.868 -4.215 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.948 -4.049 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.222 -2.789 8.740 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.041 -2.528 6.293 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.148 -2.953 4.869 1.00 0.00 C ATOM 1087 C LEU A 76 -5.923 -3.780 4.496 1.00 0.00 C ATOM 1088 O LEU A 76 -4.801 -3.429 4.814 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.218 -1.712 3.980 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.276 -2.125 2.484 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.283 -1.246 1.736 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -5.892 -1.963 1.832 1.00 0.00 C ATOM 0 H LEU A 76 -6.138 -2.133 6.555 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.047 -3.554 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.098 -1.122 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.348 -1.080 4.157 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.585 -3.169 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.317 -1.543 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.271 -1.367 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.978 -0.202 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.947 -2.256 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.577 -0.922 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.170 -2.596 2.348 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.137 -4.882 3.820 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.002 -5.763 3.410 1.00 0.00 C ATOM 1106 C HIS A 77 -4.954 -5.855 1.886 1.00 0.00 C ATOM 1107 O HIS A 77 -5.928 -6.184 1.233 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.209 -7.157 3.995 1.00 0.00 C ATOM 1109 CG HIS A 77 -3.968 -7.973 3.773 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -2.805 -7.751 4.489 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -3.691 -9.009 2.915 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -1.886 -8.632 4.054 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -2.375 -9.424 3.094 1.00 0.00 N ATOM 0 H HIS A 77 -7.059 -5.211 3.533 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.065 -5.346 3.779 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.428 -7.089 5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.065 -7.639 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.388 -9.436 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.877 -8.692 4.434 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.888 -10.171 2.599 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.820 -5.560 1.313 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.685 -5.617 -0.172 1.00 0.00 C ATOM 1123 C ALA A 78 -2.290 -6.111 -0.535 1.00 0.00 C ATOM 1124 O ALA A 78 -1.388 -6.119 0.279 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.889 -4.220 -0.757 1.00 0.00 C ATOM 0 H ALA A 78 -2.975 -5.280 1.812 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.434 -6.297 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.790 -4.262 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.884 -3.858 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.139 -3.542 -0.350 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.111 -6.526 -1.764 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.779 -7.032 -2.216 1.00 0.00 C ATOM 1133 C ARG A 79 -0.346 -6.264 -3.462 1.00 0.00 C ATOM 1134 O ARG A 79 -1.155 -5.893 -4.291 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.893 -8.516 -2.559 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.107 -9.317 -1.275 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.279 -10.796 -1.623 1.00 0.00 C ATOM 1138 NE ARG A 79 -1.461 -11.587 -0.369 1.00 0.00 N ATOM 1139 CZ ARG A 79 -2.653 -11.754 0.144 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -3.698 -11.214 -0.420 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -2.795 -12.461 1.232 1.00 0.00 N ATOM 0 H ARG A 79 -2.838 -6.536 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.046 -6.892 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.724 -8.679 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.011 -8.854 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.257 -9.186 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.988 -8.951 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.141 -10.928 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.407 -11.156 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.650 -12.000 0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.589 -10.657 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.624 -11.349 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.979 -12.880 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.722 -12.594 1.636 1.00 0.00 H new ATOM 1155 N PHE A 80 0.931 -6.021 -3.593 1.00 0.00 N ATOM 1156 CA PHE A 80 1.452 -5.270 -4.776 1.00 0.00 C ATOM 1157 C PHE A 80 2.596 -6.055 -5.410 1.00 0.00 C ATOM 1158 O PHE A 80 3.289 -6.811 -4.757 1.00 0.00 O ATOM 1159 CB PHE A 80 1.957 -3.904 -4.321 1.00 0.00 C ATOM 1160 CG PHE A 80 0.772 -3.036 -3.971 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.144 -3.181 -2.729 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.306 -2.085 -4.885 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.952 -2.374 -2.401 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.790 -1.278 -4.558 1.00 0.00 C ATOM 1165 CZ PHE A 80 -1.420 -1.423 -3.315 1.00 0.00 C ATOM 0 H PHE A 80 1.644 -6.313 -2.925 1.00 0.00 H new ATOM 0 HA PHE A 80 0.656 -5.138 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.613 -4.013 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.546 -3.438 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.505 -3.915 -2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.792 -1.973 -5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.437 -2.485 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.150 -0.544 -5.264 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.266 -0.801 -3.062 1.00 0.00 H new ATOM 1175 N LYS A 81 2.787 -5.882 -6.691 1.00 0.00 N ATOM 1176 CA LYS A 81 3.873 -6.612 -7.408 1.00 0.00 C ATOM 1177 C LYS A 81 5.021 -5.657 -7.729 1.00 0.00 C ATOM 1178 O LYS A 81 4.817 -4.531 -8.143 1.00 0.00 O ATOM 1179 CB LYS A 81 3.314 -7.183 -8.710 1.00 0.00 C ATOM 1180 CG LYS A 81 4.409 -7.963 -9.440 1.00 0.00 C ATOM 1181 CD LYS A 81 3.821 -8.639 -10.679 1.00 0.00 C ATOM 1182 CE LYS A 81 4.913 -9.444 -11.387 1.00 0.00 C ATOM 1183 NZ LYS A 81 5.992 -8.524 -11.848 1.00 0.00 N ATOM 0 H LYS A 81 2.231 -5.259 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 81 4.245 -7.418 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.467 -7.836 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.944 -6.377 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.217 -7.291 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.840 -8.712 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.999 -9.295 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.411 -7.889 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.324 -10.193 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.491 -9.980 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.555 -8.992 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.567 -7.656 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.607 -8.281 -11.046 1.00 0.00 H new ATOM 1197 N PHE A 82 6.231 -6.111 -7.540 1.00 0.00 N ATOM 1198 CA PHE A 82 7.428 -5.263 -7.825 1.00 0.00 C ATOM 1199 C PHE A 82 8.443 -6.079 -8.632 1.00 0.00 C ATOM 1200 O PHE A 82 8.140 -6.595 -9.691 1.00 0.00 O ATOM 1201 CB PHE A 82 8.064 -4.827 -6.503 1.00 0.00 C ATOM 1202 CG PHE A 82 7.152 -3.850 -5.804 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.098 -2.522 -6.240 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.366 -4.267 -4.725 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.257 -1.610 -5.597 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.524 -3.355 -4.080 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.469 -2.026 -4.516 1.00 0.00 C ATOM 0 H PHE A 82 6.445 -7.047 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 82 7.129 -4.383 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.240 -5.695 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.034 -4.366 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.706 -2.202 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.409 -5.293 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.214 -0.585 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.917 -3.676 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.819 -1.321 -4.019 1.00 0.00 H new ATOM 1217 N GLU A 83 9.646 -6.200 -8.140 1.00 0.00 N ATOM 1218 CA GLU A 83 10.683 -6.979 -8.869 1.00 0.00 C ATOM 1219 C GLU A 83 11.700 -7.509 -7.857 1.00 0.00 C ATOM 1220 O GLU A 83 12.211 -8.605 -7.989 1.00 0.00 O ATOM 1221 CB GLU A 83 11.393 -6.059 -9.866 1.00 0.00 C ATOM 1222 CG GLU A 83 12.360 -6.870 -10.732 1.00 0.00 C ATOM 1223 CD GLU A 83 11.564 -7.781 -11.669 1.00 0.00 C ATOM 1224 OE1 GLU A 83 10.355 -7.626 -11.727 1.00 0.00 O ATOM 1225 OE2 GLU A 83 12.176 -8.618 -12.310 1.00 0.00 O ATOM 0 H GLU A 83 9.955 -5.790 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 83 10.222 -7.810 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.659 -5.559 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.937 -5.280 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.995 -6.200 -11.312 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.018 -7.466 -10.100 1.00 0.00 H new ATOM 1232 N VAL A 84 12.006 -6.731 -6.846 1.00 0.00 N ATOM 1233 CA VAL A 84 12.999 -7.180 -5.817 1.00 0.00 C ATOM 1234 C VAL A 84 12.487 -6.854 -4.413 1.00 0.00 C ATOM 1235 O VAL A 84 11.600 -6.046 -4.225 1.00 0.00 O ATOM 1236 CB VAL A 84 14.337 -6.468 -6.046 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.913 -6.897 -7.394 1.00 0.00 C ATOM 1238 CG2 VAL A 84 14.127 -4.952 -6.040 1.00 0.00 C ATOM 0 H VAL A 84 11.611 -5.804 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 84 13.136 -8.258 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 84 15.030 -6.736 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.865 -6.392 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.069 -7.976 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.217 -6.629 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.082 -4.452 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.433 -4.678 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.717 -4.645 -5.078 1.00 0.00 H new ATOM 1248 N SER A 85 13.056 -7.485 -3.422 1.00 0.00 N ATOM 1249 CA SER A 85 12.636 -7.233 -2.013 1.00 0.00 C ATOM 1250 C SER A 85 13.076 -5.825 -1.592 1.00 0.00 C ATOM 1251 O SER A 85 12.560 -5.248 -0.649 1.00 0.00 O ATOM 1252 CB SER A 85 13.303 -8.270 -1.109 1.00 0.00 C ATOM 1253 OG SER A 85 14.715 -8.167 -1.246 1.00 0.00 O ATOM 0 H SER A 85 13.802 -8.172 -3.530 1.00 0.00 H new ATOM 0 HA SER A 85 11.552 -7.309 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.013 -8.106 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.971 -9.273 -1.378 1.00 0.00 H new ATOM 0 HG SER A 85 15.149 -8.828 -0.667 1.00 0.00 H new ATOM 1259 N ALA A 86 14.027 -5.268 -2.287 1.00 0.00 N ATOM 1260 CA ALA A 86 14.509 -3.900 -1.939 1.00 0.00 C ATOM 1261 C ALA A 86 13.366 -2.896 -2.110 1.00 0.00 C ATOM 1262 O ALA A 86 13.216 -1.964 -1.342 1.00 0.00 O ATOM 1263 CB ALA A 86 15.663 -3.525 -2.874 1.00 0.00 C ATOM 0 H ALA A 86 14.494 -5.701 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 86 14.852 -3.882 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.022 -2.526 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.475 -4.242 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.314 -3.540 -3.907 1.00 0.00 H new ATOM 1269 N GLU A 87 12.558 -3.084 -3.112 1.00 0.00 N ATOM 1270 CA GLU A 87 11.414 -2.156 -3.342 1.00 0.00 C ATOM 1271 C GLU A 87 10.354 -2.392 -2.266 1.00 0.00 C ATOM 1272 O GLU A 87 9.584 -1.515 -1.928 1.00 0.00 O ATOM 1273 CB GLU A 87 10.807 -2.434 -4.718 1.00 0.00 C ATOM 1274 CG GLU A 87 11.812 -2.076 -5.814 1.00 0.00 C ATOM 1275 CD GLU A 87 12.050 -0.564 -5.815 1.00 0.00 C ATOM 1276 OE1 GLU A 87 11.214 0.146 -5.280 1.00 0.00 O ATOM 1277 OE2 GLU A 87 13.060 -0.142 -6.352 1.00 0.00 O ATOM 0 H GLU A 87 12.639 -3.844 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 87 11.762 -1.124 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.529 -3.485 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.894 -1.853 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.752 -2.603 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.436 -2.396 -6.786 1.00 0.00 H new ATOM 1284 N LYS A 88 10.300 -3.579 -1.736 1.00 0.00 N ATOM 1285 CA LYS A 88 9.285 -3.881 -0.688 1.00 0.00 C ATOM 1286 C LYS A 88 9.542 -3.013 0.545 1.00 0.00 C ATOM 1287 O LYS A 88 8.653 -2.366 1.063 1.00 0.00 O ATOM 1288 CB LYS A 88 9.419 -5.351 -0.292 1.00 0.00 C ATOM 1289 CG LYS A 88 8.291 -5.743 0.666 1.00 0.00 C ATOM 1290 CD LYS A 88 8.519 -7.167 1.187 1.00 0.00 C ATOM 1291 CE LYS A 88 8.370 -8.180 0.046 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.153 -9.539 0.617 1.00 0.00 N ATOM 0 H LYS A 88 10.914 -4.355 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 88 8.286 -3.677 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.386 -5.980 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.385 -5.521 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.252 -5.043 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.330 -5.683 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.514 -7.246 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.803 -7.391 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.531 -7.904 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.263 -8.174 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.052 -10.228 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.967 -9.801 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.289 -9.538 1.196 1.00 0.00 H new ATOM 1306 N LEU A 89 10.753 -3.003 1.022 1.00 0.00 N ATOM 1307 CA LEU A 89 11.072 -2.182 2.228 1.00 0.00 C ATOM 1308 C LEU A 89 10.909 -0.696 1.904 1.00 0.00 C ATOM 1309 O LEU A 89 10.351 0.067 2.669 1.00 0.00 O ATOM 1310 CB LEU A 89 12.518 -2.461 2.650 1.00 0.00 C ATOM 1311 CG LEU A 89 12.589 -3.762 3.466 1.00 0.00 C ATOM 1312 CD1 LEU A 89 11.910 -3.580 4.844 1.00 0.00 C ATOM 1313 CD2 LEU A 89 11.897 -4.888 2.682 1.00 0.00 C ATOM 0 H LEU A 89 11.537 -3.526 0.632 1.00 0.00 H new ATOM 0 HA LEU A 89 10.392 -2.443 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.153 -2.541 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.899 -1.629 3.243 1.00 0.00 H new ATOM 0 HG LEU A 89 13.635 -4.020 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.971 -4.512 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.416 -2.789 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.864 -3.310 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.944 -5.813 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.854 -4.622 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.401 -5.028 1.726 1.00 0.00 H new ATOM 1325 N ILE A 90 11.399 -0.281 0.775 1.00 0.00 N ATOM 1326 CA ILE A 90 11.279 1.153 0.393 1.00 0.00 C ATOM 1327 C ILE A 90 9.809 1.500 0.156 1.00 0.00 C ATOM 1328 O ILE A 90 9.326 2.530 0.576 1.00 0.00 O ATOM 1329 CB ILE A 90 12.084 1.403 -0.884 1.00 0.00 C ATOM 1330 CG1 ILE A 90 13.578 1.244 -0.584 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.817 2.822 -1.399 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.370 1.224 -1.895 1.00 0.00 C ATOM 0 H ILE A 90 11.879 -0.872 0.097 1.00 0.00 H new ATOM 0 HA ILE A 90 11.667 1.780 1.195 1.00 0.00 H new ATOM 0 HB ILE A 90 11.783 0.682 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.921 2.064 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 90 13.751 0.322 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.393 2.993 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.755 2.937 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.113 3.546 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.432 1.111 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.035 0.389 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.208 2.158 -2.432 1.00 0.00 H new ATOM 1344 N PHE A 91 9.097 0.648 -0.524 1.00 0.00 N ATOM 1345 CA PHE A 91 7.659 0.926 -0.800 1.00 0.00 C ATOM 1346 C PHE A 91 6.887 1.024 0.514 1.00 0.00 C ATOM 1347 O PHE A 91 6.097 1.922 0.718 1.00 0.00 O ATOM 1348 CB PHE A 91 7.072 -0.210 -1.636 1.00 0.00 C ATOM 1349 CG PHE A 91 5.618 0.083 -1.937 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.288 1.093 -2.845 1.00 0.00 C ATOM 1351 CD2 PHE A 91 4.602 -0.652 -1.307 1.00 0.00 C ATOM 1352 CE1 PHE A 91 3.945 1.372 -3.126 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.260 -0.372 -1.589 1.00 0.00 C ATOM 1354 CZ PHE A 91 2.931 0.640 -2.498 1.00 0.00 C ATOM 0 H PHE A 91 9.448 -0.232 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 91 7.577 1.868 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.632 -0.319 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.160 -1.154 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.070 1.659 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.855 -1.433 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.691 2.153 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.478 -0.937 -1.105 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.895 0.856 -2.715 1.00 0.00 H new ATOM 1364 N GLU A 92 7.100 0.096 1.400 1.00 0.00 N ATOM 1365 CA GLU A 92 6.370 0.125 2.700 1.00 0.00 C ATOM 1366 C GLU A 92 6.841 1.315 3.538 1.00 0.00 C ATOM 1367 O GLU A 92 6.052 2.095 4.031 1.00 0.00 O ATOM 1368 CB GLU A 92 6.656 -1.176 3.462 1.00 0.00 C ATOM 1369 CG GLU A 92 5.574 -1.416 4.519 1.00 0.00 C ATOM 1370 CD GLU A 92 5.660 -0.332 5.597 1.00 0.00 C ATOM 1371 OE1 GLU A 92 6.767 0.072 5.915 1.00 0.00 O ATOM 1372 OE2 GLU A 92 4.618 0.077 6.082 1.00 0.00 O ATOM 0 H GLU A 92 7.748 -0.683 1.283 1.00 0.00 H new ATOM 0 HA GLU A 92 5.301 0.222 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.688 -2.014 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.635 -1.120 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.588 -1.404 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.702 -2.401 4.968 1.00 0.00 H new ATOM 1379 N LEU A 93 8.121 1.449 3.718 1.00 0.00 N ATOM 1380 CA LEU A 93 8.641 2.577 4.542 1.00 0.00 C ATOM 1381 C LEU A 93 8.292 3.912 3.869 1.00 0.00 C ATOM 1382 O LEU A 93 7.827 4.844 4.497 1.00 0.00 O ATOM 1383 CB LEU A 93 10.169 2.444 4.659 1.00 0.00 C ATOM 1384 CG LEU A 93 10.670 3.156 5.925 1.00 0.00 C ATOM 1385 CD1 LEU A 93 12.174 2.915 6.088 1.00 0.00 C ATOM 1386 CD2 LEU A 93 10.389 4.669 5.837 1.00 0.00 C ATOM 0 H LEU A 93 8.832 0.828 3.332 1.00 0.00 H new ATOM 0 HA LEU A 93 8.189 2.548 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.448 1.391 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.647 2.874 3.779 1.00 0.00 H new ATOM 0 HG LEU A 93 10.142 2.753 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.528 3.421 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.364 1.845 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.702 3.308 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.750 5.159 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.902 5.085 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.316 4.835 5.738 1.00 0.00 H new ATOM 1398 N LYS A 94 8.526 4.009 2.593 1.00 0.00 N ATOM 1399 CA LYS A 94 8.233 5.281 1.872 1.00 0.00 C ATOM 1400 C LYS A 94 6.734 5.578 1.919 1.00 0.00 C ATOM 1401 O LYS A 94 6.317 6.683 2.212 1.00 0.00 O ATOM 1402 CB LYS A 94 8.674 5.143 0.415 1.00 0.00 C ATOM 1403 CG LYS A 94 8.498 6.480 -0.301 1.00 0.00 C ATOM 1404 CD LYS A 94 9.006 6.365 -1.740 1.00 0.00 C ATOM 1405 CE LYS A 94 8.843 7.710 -2.448 1.00 0.00 C ATOM 1406 NZ LYS A 94 9.368 8.800 -1.576 1.00 0.00 N ATOM 0 H LYS A 94 8.909 3.261 2.014 1.00 0.00 H new ATOM 0 HA LYS A 94 8.773 6.098 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.716 4.828 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.085 4.372 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.447 6.770 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.045 7.261 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.054 6.065 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.451 5.592 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.378 7.700 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.792 7.887 -2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.558 9.644 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.664 9.030 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.249 8.486 -1.120 1.00 0.00 H new ATOM 1420 N THR A 95 5.922 4.606 1.629 1.00 0.00 N ATOM 1421 CA THR A 95 4.449 4.834 1.654 1.00 0.00 C ATOM 1422 C THR A 95 3.996 5.077 3.092 1.00 0.00 C ATOM 1423 O THR A 95 3.186 5.939 3.370 1.00 0.00 O ATOM 1424 CB THR A 95 3.740 3.594 1.104 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.129 2.457 1.862 1.00 0.00 O ATOM 1426 CG2 THR A 95 4.117 3.377 -0.369 1.00 0.00 C ATOM 0 H THR A 95 6.211 3.661 1.375 1.00 0.00 H new ATOM 0 HA THR A 95 4.202 5.702 1.043 1.00 0.00 H new ATOM 0 HB THR A 95 2.662 3.738 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.719 1.890 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.606 2.492 -0.749 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.818 4.247 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.195 3.238 -0.452 1.00 0.00 H new ATOM 1434 N ARG A 96 4.516 4.317 4.010 1.00 0.00 N ATOM 1435 CA ARG A 96 4.121 4.492 5.434 1.00 0.00 C ATOM 1436 C ARG A 96 4.592 5.861 5.925 1.00 0.00 C ATOM 1437 O ARG A 96 3.892 6.559 6.632 1.00 0.00 O ATOM 1438 CB ARG A 96 4.784 3.398 6.277 1.00 0.00 C ATOM 1439 CG ARG A 96 4.240 3.417 7.717 1.00 0.00 C ATOM 1440 CD ARG A 96 2.961 2.578 7.801 1.00 0.00 C ATOM 1441 NE ARG A 96 2.401 2.655 9.179 1.00 0.00 N ATOM 1442 CZ ARG A 96 2.825 1.844 10.108 1.00 0.00 C ATOM 1443 NH1 ARG A 96 3.757 0.969 9.848 1.00 0.00 N ATOM 1444 NH2 ARG A 96 2.313 1.914 11.304 1.00 0.00 N ATOM 0 H ARG A 96 5.199 3.580 3.837 1.00 0.00 H new ATOM 0 HA ARG A 96 3.037 4.423 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.600 2.423 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.864 3.545 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.990 3.023 8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.034 4.442 8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.229 2.940 7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.177 1.541 7.543 1.00 0.00 H new ATOM 0 HE ARG A 96 1.682 3.345 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.160 0.916 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.083 0.338 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.586 2.600 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.639 1.283 12.036 1.00 0.00 H new ATOM 1458 N ALA A 97 5.780 6.246 5.556 1.00 0.00 N ATOM 1459 CA ALA A 97 6.307 7.566 6.001 1.00 0.00 C ATOM 1460 C ALA A 97 5.354 8.671 5.540 1.00 0.00 C ATOM 1461 O ALA A 97 5.092 9.622 6.251 1.00 0.00 O ATOM 1462 CB ALA A 97 7.680 7.794 5.371 1.00 0.00 C ATOM 0 H ALA A 97 6.410 5.704 4.965 1.00 0.00 H new ATOM 0 HA ALA A 97 6.391 7.582 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.072 8.759 5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.361 7.003 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.588 7.783 4.285 1.00 0.00 H new ATOM 1468 N LEU A 98 4.844 8.552 4.348 1.00 0.00 N ATOM 1469 CA LEU A 98 3.911 9.592 3.823 1.00 0.00 C ATOM 1470 C LEU A 98 2.637 9.618 4.683 1.00 0.00 C ATOM 1471 O LEU A 98 2.109 10.661 5.020 1.00 0.00 O ATOM 1472 CB LEU A 98 3.546 9.251 2.368 1.00 0.00 C ATOM 1473 CG LEU A 98 3.190 10.529 1.595 1.00 0.00 C ATOM 1474 CD1 LEU A 98 2.880 10.177 0.138 1.00 0.00 C ATOM 1475 CD2 LEU A 98 1.976 11.223 2.237 1.00 0.00 C ATOM 0 H LEU A 98 5.032 7.778 3.711 1.00 0.00 H new ATOM 0 HA LEU A 98 4.390 10.571 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.383 8.746 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.703 8.560 2.350 1.00 0.00 H new ATOM 0 HG LEU A 98 4.039 11.212 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.627 11.085 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.753 9.710 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.038 9.485 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.736 12.127 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.120 10.548 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.211 11.486 3.268 1.00 0.00 H new ATOM 1487 N ALA A 99 2.134 8.468 5.025 1.00 0.00 N ATOM 1488 CA ALA A 99 0.886 8.407 5.842 1.00 0.00 C ATOM 1489 C ALA A 99 1.079 9.154 7.163 1.00 0.00 C ATOM 1490 O ALA A 99 0.263 9.966 7.559 1.00 0.00 O ATOM 1491 CB ALA A 99 0.559 6.944 6.142 1.00 0.00 C ATOM 0 H ALA A 99 2.532 7.563 4.775 1.00 0.00 H new ATOM 0 HA ALA A 99 0.073 8.872 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.352 6.890 6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.412 6.405 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.383 6.493 6.695 1.00 0.00 H new ATOM 1497 N ARG A 100 2.147 8.880 7.850 1.00 0.00 N ATOM 1498 CA ARG A 100 2.398 9.565 9.148 1.00 0.00 C ATOM 1499 C ARG A 100 2.984 10.951 8.889 1.00 0.00 C ATOM 1500 O ARG A 100 2.957 11.818 9.742 1.00 0.00 O ATOM 1501 CB ARG A 100 3.384 8.730 9.975 1.00 0.00 C ATOM 1502 CG ARG A 100 4.709 8.593 9.214 1.00 0.00 C ATOM 1503 CD ARG A 100 5.672 7.697 10.005 1.00 0.00 C ATOM 1504 NE ARG A 100 5.136 6.304 10.043 1.00 0.00 N ATOM 1505 CZ ARG A 100 5.760 5.370 10.713 1.00 0.00 C ATOM 1506 NH1 ARG A 100 6.864 5.640 11.353 1.00 0.00 N ATOM 1507 NH2 ARG A 100 5.275 4.158 10.739 1.00 0.00 N ATOM 0 H ARG A 100 2.862 8.209 7.569 1.00 0.00 H new ATOM 0 HA ARG A 100 1.462 9.670 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.556 9.204 10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.964 7.744 10.174 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.530 8.167 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.155 9.576 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.658 7.706 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.793 8.080 11.018 1.00 0.00 H new ATOM 0 HE ARG A 100 4.276 6.079 9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.247 6.585 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.345 4.906 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.413 3.943 10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.758 3.426 11.260 1.00 0.00 H new ATOM 1521 N LEU A 101 3.524 11.168 7.718 1.00 0.00 N ATOM 1522 CA LEU A 101 4.125 12.500 7.409 1.00 0.00 C ATOM 1523 C LEU A 101 3.112 13.372 6.666 1.00 0.00 C ATOM 1524 O LEU A 101 2.552 12.986 5.657 1.00 0.00 O ATOM 1525 CB LEU A 101 5.380 12.315 6.552 1.00 0.00 C ATOM 1526 CG LEU A 101 6.068 13.671 6.321 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.540 14.270 7.659 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.267 13.475 5.386 1.00 0.00 C ATOM 0 H LEU A 101 3.575 10.483 6.964 1.00 0.00 H new ATOM 0 HA LEU A 101 4.398 12.992 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.068 11.629 7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.113 11.866 5.595 1.00 0.00 H new ATOM 0 HG LEU A 101 5.356 14.360 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.025 15.229 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.682 14.415 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.248 13.590 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.759 14.433 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.973 12.780 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.923 13.072 4.433 1.00 0.00 H new ATOM 1540 N GLU A 102 2.875 14.551 7.169 1.00 0.00 N ATOM 1541 CA GLU A 102 1.900 15.471 6.522 1.00 0.00 C ATOM 1542 C GLU A 102 2.348 15.818 5.100 1.00 0.00 C ATOM 1543 O GLU A 102 3.518 15.789 4.767 1.00 0.00 O ATOM 1544 CB GLU A 102 1.787 16.753 7.356 1.00 0.00 C ATOM 1545 CG GLU A 102 1.167 16.428 8.720 1.00 0.00 C ATOM 1546 CD GLU A 102 -0.271 15.932 8.531 1.00 0.00 C ATOM 1547 OE1 GLU A 102 -0.828 16.186 7.475 1.00 0.00 O ATOM 1548 OE2 GLU A 102 -0.786 15.304 9.441 1.00 0.00 O ATOM 0 H GLU A 102 3.320 14.920 8.009 1.00 0.00 H new ATOM 0 HA GLU A 102 0.930 14.977 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.772 17.199 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.174 17.486 6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.760 15.667 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.175 17.314 9.354 1.00 0.00 H new ATOM 1555 N HIS A 103 1.406 16.143 4.260 1.00 0.00 N ATOM 1556 CA HIS A 103 1.729 16.494 2.849 1.00 0.00 C ATOM 1557 C HIS A 103 2.684 17.691 2.811 1.00 0.00 C ATOM 1558 O HIS A 103 3.619 17.728 2.033 1.00 0.00 O ATOM 1559 CB HIS A 103 0.432 16.867 2.127 1.00 0.00 C ATOM 1560 CG HIS A 103 0.732 17.208 0.695 1.00 0.00 C ATOM 1561 ND1 HIS A 103 1.140 16.252 -0.218 1.00 0.00 N ATOM 1562 CD2 HIS A 103 0.695 18.396 0.007 1.00 0.00 C ATOM 1563 CE1 HIS A 103 1.331 16.872 -1.397 1.00 0.00 C ATOM 1564 NE2 HIS A 103 1.074 18.180 -1.315 1.00 0.00 N ATOM 0 H HIS A 103 0.414 16.181 4.494 1.00 0.00 H new ATOM 0 HA HIS A 103 2.205 15.642 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.273 16.037 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.041 17.715 2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.415 19.351 0.427 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.653 16.373 -2.299 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.141 18.872 -2.061 1.00 0.00 H new ATOM 1572 N HIS A 104 2.451 18.677 3.632 1.00 0.00 N ATOM 1573 CA HIS A 104 3.337 19.878 3.626 1.00 0.00 C ATOM 1574 C HIS A 104 4.550 19.650 4.534 1.00 0.00 C ATOM 1575 O HIS A 104 4.425 19.406 5.718 1.00 0.00 O ATOM 1576 CB HIS A 104 2.545 21.097 4.112 1.00 0.00 C ATOM 1577 CG HIS A 104 2.139 20.915 5.550 1.00 0.00 C ATOM 1578 ND1 HIS A 104 1.049 20.142 5.921 1.00 0.00 N ATOM 1579 CD2 HIS A 104 2.658 21.414 6.720 1.00 0.00 C ATOM 1580 CE1 HIS A 104 0.949 20.199 7.262 1.00 0.00 C ATOM 1581 NE2 HIS A 104 1.905 20.960 7.799 1.00 0.00 N ATOM 0 H HIS A 104 1.687 18.705 4.307 1.00 0.00 H new ATOM 0 HA HIS A 104 3.691 20.054 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.150 21.998 4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.660 21.235 3.491 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.520 22.061 6.792 1.00 0.00 H new ATOM 0 HE1 HIS A 104 0.187 19.690 7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.052 21.165 8.787 1.00 0.00 H new ATOM 1589 N HIS A 105 5.729 19.734 3.973 1.00 0.00 N ATOM 1590 CA HIS A 105 6.973 19.531 4.773 1.00 0.00 C ATOM 1591 C HIS A 105 8.112 20.338 4.145 1.00 0.00 C ATOM 1592 O HIS A 105 8.499 21.381 4.637 1.00 0.00 O ATOM 1593 CB HIS A 105 7.356 18.053 4.762 1.00 0.00 C ATOM 1594 CG HIS A 105 8.590 17.854 5.598 1.00 0.00 C ATOM 1595 ND1 HIS A 105 9.868 17.909 5.059 1.00 0.00 N ATOM 1596 CD2 HIS A 105 8.758 17.606 6.937 1.00 0.00 C ATOM 1597 CE1 HIS A 105 10.739 17.699 6.063 1.00 0.00 C ATOM 1598 NE2 HIS A 105 10.115 17.508 7.228 1.00 0.00 N ATOM 0 H HIS A 105 5.884 19.937 2.985 1.00 0.00 H new ATOM 0 HA HIS A 105 6.799 19.859 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.536 17.450 5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.537 17.720 3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.959 17.503 7.656 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.812 17.686 5.941 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.542 17.329 8.137 1.00 0.00 H new ATOM 1606 N HIS A 106 8.654 19.862 3.051 1.00 0.00 N ATOM 1607 CA HIS A 106 9.769 20.603 2.387 1.00 0.00 C ATOM 1608 C HIS A 106 9.789 20.286 0.886 1.00 0.00 C ATOM 1609 O HIS A 106 9.182 19.339 0.427 1.00 0.00 O ATOM 1610 CB HIS A 106 11.104 20.189 3.010 1.00 0.00 C ATOM 1611 CG HIS A 106 12.213 21.019 2.418 1.00 0.00 C ATOM 1612 ND1 HIS A 106 13.077 20.520 1.454 1.00 0.00 N ATOM 1613 CD2 HIS A 106 12.608 22.314 2.641 1.00 0.00 C ATOM 1614 CE1 HIS A 106 13.940 21.504 1.136 1.00 0.00 C ATOM 1615 NE2 HIS A 106 13.698 22.619 1.830 1.00 0.00 N ATOM 0 H HIS A 106 8.373 18.996 2.591 1.00 0.00 H new ATOM 0 HA HIS A 106 9.616 21.673 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 106 11.071 20.325 4.091 1.00 0.00 H new ATOM 0 HB3 HIS A 106 11.290 19.131 2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 106 12.144 22.994 3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.732 21.403 0.408 1.00 0.00 H new ATOM 0 HE2 HIS A 106 14.203 23.504 1.777 1.00 0.00 H new ATOM 1623 N HIS A 107 10.489 21.082 0.124 1.00 0.00 N ATOM 1624 CA HIS A 107 10.568 20.853 -1.351 1.00 0.00 C ATOM 1625 C HIS A 107 11.226 19.498 -1.637 1.00 0.00 C ATOM 1626 O HIS A 107 10.813 18.764 -2.516 1.00 0.00 O ATOM 1627 CB HIS A 107 11.419 21.962 -1.974 1.00 0.00 C ATOM 1628 CG HIS A 107 10.685 23.273 -1.898 1.00 0.00 C ATOM 1629 ND1 HIS A 107 10.746 24.094 -0.780 1.00 0.00 N ATOM 1630 CD2 HIS A 107 9.877 23.925 -2.795 1.00 0.00 C ATOM 1631 CE1 HIS A 107 9.994 25.181 -1.032 1.00 0.00 C ATOM 1632 NE2 HIS A 107 9.442 25.128 -2.247 1.00 0.00 N ATOM 0 H HIS A 107 11.015 21.888 0.461 1.00 0.00 H new ATOM 0 HA HIS A 107 9.564 20.859 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.372 22.038 -1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.643 21.720 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.618 23.560 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.854 25.996 -0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.832 25.821 -2.681 1.00 0.00 H new ATOM 1640 N HIS A 108 12.254 19.169 -0.910 1.00 0.00 N ATOM 1641 CA HIS A 108 12.955 17.870 -1.138 1.00 0.00 C ATOM 1642 C HIS A 108 11.954 16.714 -1.066 1.00 0.00 C ATOM 1643 O HIS A 108 11.255 16.499 -2.044 1.00 0.00 O ATOM 1644 CB HIS A 108 14.026 17.685 -0.060 1.00 0.00 C ATOM 1645 CG HIS A 108 14.736 16.378 -0.279 1.00 0.00 C ATOM 1646 ND1 HIS A 108 15.631 16.190 -1.319 1.00 0.00 N ATOM 1647 CD2 HIS A 108 14.694 15.185 0.400 1.00 0.00 C ATOM 1648 CE1 HIS A 108 16.087 14.927 -1.239 1.00 0.00 C ATOM 1649 NE2 HIS A 108 15.547 14.270 -0.208 1.00 0.00 N ATOM 1650 OXT HIS A 108 11.907 16.059 -0.039 1.00 0.00 O ATOM 0 H HIS A 108 12.643 19.744 -0.163 1.00 0.00 H new ATOM 0 HA HIS A 108 13.418 17.877 -2.125 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.739 18.509 -0.095 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.568 17.701 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.090 14.987 1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.802 14.496 -1.924 1.00 0.00 H new ATOM 0 HE2 HIS A 108 15.723 13.305 0.073 1.00 0.00 H new TER 1658 HIS A 108