USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 42 PRO O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 42 PRO C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 42 PRO O :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 79 HIS : no HD1:sc= -0.397 X(o=-2.9,f=-2.7) USER MOD Set 1.2: A 83 GLN : amide:sc= -2.55! C(o=-2.9!,f=-3.6!) USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= 0.667 F(o=-0.94,f=1.4) USER MOD Set 2.2: A 35 THR OG1 : rot 2:sc= 0.761 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.545 (180deg=0.112) USER MOD Single : A 2 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -101:sc= 1.04 USER MOD Single : A 14 THR OG1 : rot -117:sc= 1.28 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= -2.31! (180deg=-2.42) USER MOD Single : A 34 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 37 GLN : amide:sc=-0.00419 K(o=-0.0042,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.111) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0697) USER MOD Single : A 48 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.574 USER MOD Single : A 65 THR OG1 : rot -3:sc= 0.638 USER MOD Single : A 74 ASN : amide:sc= -0.571 K(o=-0.57,f=-5.1!) USER MOD Single : A 75 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.5) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.205 9.302 18.961 1.00 1.00 N ATOM 2 CA MET A 1 65.675 7.954 18.612 1.00 1.00 C ATOM 3 C MET A 1 64.619 8.092 17.511 1.00 1.00 C ATOM 4 O MET A 1 63.485 7.686 17.667 1.00 1.00 O ATOM 5 CB MET A 1 65.048 7.312 19.857 1.00 1.00 C ATOM 6 CG MET A 1 64.423 8.399 20.733 1.00 1.00 C ATOM 7 SD MET A 1 63.241 9.358 19.754 1.00 1.00 S ATOM 8 CE MET A 1 61.761 8.418 20.201 1.00 1.00 C ATOM 0 H1 MET A 1 66.819 9.228 19.797 1.00 1.00 H new ATOM 0 H2 MET A 1 66.753 9.677 18.161 1.00 1.00 H new ATOM 0 H3 MET A 1 65.413 9.943 19.169 1.00 1.00 H new ATOM 0 HA MET A 1 66.488 7.322 18.254 1.00 1.00 H new ATOM 0 HB2 MET A 1 64.289 6.587 19.562 1.00 1.00 H new ATOM 0 HB3 MET A 1 65.807 6.768 20.420 1.00 1.00 H new ATOM 0 HG2 MET A 1 63.921 7.947 21.589 1.00 1.00 H new ATOM 0 HG3 MET A 1 65.200 9.054 21.128 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.893 8.845 19.699 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.883 7.379 19.894 1.00 1.00 H new ATOM 0 HE3 MET A 1 61.614 8.462 21.280 1.00 1.00 H new ATOM 17 N ASN A 2 64.985 8.665 16.396 1.00 1.00 N ATOM 18 CA ASN A 2 64.004 8.829 15.286 1.00 1.00 C ATOM 19 C ASN A 2 63.520 7.453 14.825 1.00 1.00 C ATOM 20 O ASN A 2 64.237 6.476 14.899 1.00 1.00 O ATOM 21 CB ASN A 2 64.674 9.553 14.116 1.00 1.00 C ATOM 22 CG ASN A 2 63.638 9.829 13.024 1.00 1.00 C ATOM 23 OD1 ASN A 2 62.803 10.700 13.170 1.00 1.00 O ATOM 24 ND2 ASN A 2 63.658 9.120 11.929 1.00 1.00 N ATOM 0 H ASN A 2 65.920 9.026 16.206 1.00 1.00 H new ATOM 0 HA ASN A 2 63.154 9.414 15.636 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.115 10.489 14.459 1.00 1.00 H new ATOM 0 HB3 ASN A 2 65.486 8.946 13.716 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.973 9.296 11.195 1.00 1.00 H new ATOM 0 HD22 ASN A 2 64.359 8.389 11.807 1.00 1.00 H new ATOM 31 N LEU A 3 62.307 7.369 14.350 1.00 1.00 N ATOM 32 CA LEU A 3 61.777 6.056 13.884 1.00 1.00 C ATOM 33 C LEU A 3 61.557 5.143 15.096 1.00 1.00 C ATOM 34 O LEU A 3 62.494 4.711 15.738 1.00 1.00 O ATOM 35 CB LEU A 3 62.787 5.415 12.919 1.00 1.00 C ATOM 36 CG LEU A 3 62.044 4.581 11.874 1.00 1.00 C ATOM 37 CD1 LEU A 3 61.159 3.550 12.577 1.00 1.00 C ATOM 38 CD2 LEU A 3 61.171 5.500 11.016 1.00 1.00 C ATOM 0 H LEU A 3 61.660 8.153 14.265 1.00 1.00 H new ATOM 0 HA LEU A 3 60.829 6.200 13.366 1.00 1.00 H new ATOM 0 HB2 LEU A 3 63.377 6.189 12.428 1.00 1.00 H new ATOM 0 HB3 LEU A 3 63.484 4.785 13.472 1.00 1.00 H new ATOM 0 HG LEU A 3 62.766 4.067 11.240 1.00 1.00 H new ATOM 0 HD11 LEU A 3 60.630 2.956 11.832 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.779 2.895 13.189 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.437 4.063 13.212 1.00 1.00 H new ATOM 0 HD21 LEU A 3 60.641 4.907 10.271 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.449 6.014 11.651 1.00 1.00 H new ATOM 0 HD23 LEU A 3 61.800 6.235 10.514 1.00 1.00 H new ATOM 50 N GLU A 4 60.325 4.852 15.415 1.00 1.00 N ATOM 51 CA GLU A 4 60.042 3.975 16.588 1.00 1.00 C ATOM 52 C GLU A 4 60.899 2.706 16.501 1.00 1.00 C ATOM 53 O GLU A 4 61.186 2.221 15.425 1.00 1.00 O ATOM 54 CB GLU A 4 58.561 3.589 16.586 1.00 1.00 C ATOM 55 CG GLU A 4 57.704 4.853 16.490 1.00 1.00 C ATOM 56 CD GLU A 4 57.980 5.750 17.698 1.00 1.00 C ATOM 57 OE1 GLU A 4 57.960 5.240 18.807 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.206 6.931 17.495 1.00 1.00 O ATOM 0 H GLU A 4 59.501 5.184 14.914 1.00 1.00 H new ATOM 0 HA GLU A 4 60.281 4.510 17.507 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.348 2.928 15.746 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.316 3.039 17.495 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.929 5.388 15.567 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.648 4.587 16.455 1.00 1.00 H new ATOM 65 N PRO A 5 61.303 2.165 17.625 1.00 1.00 N ATOM 66 CA PRO A 5 62.135 0.931 17.667 1.00 1.00 C ATOM 67 C PRO A 5 61.687 -0.107 16.627 1.00 1.00 C ATOM 68 O PRO A 5 60.556 -0.097 16.184 1.00 1.00 O ATOM 69 CB PRO A 5 61.910 0.403 19.085 1.00 1.00 C ATOM 70 CG PRO A 5 61.624 1.615 19.911 1.00 1.00 C ATOM 71 CD PRO A 5 61.009 2.666 18.978 1.00 1.00 C ATOM 0 HA PRO A 5 63.181 1.132 17.435 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.078 -0.301 19.116 1.00 1.00 H new ATOM 0 HB3 PRO A 5 62.789 -0.126 19.453 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.939 1.374 20.723 1.00 1.00 H new ATOM 0 HG3 PRO A 5 62.538 1.994 20.367 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.936 2.764 19.142 1.00 1.00 H new ATOM 0 HD3 PRO A 5 61.448 3.650 19.142 1.00 1.00 H new ATOM 79 N PRO A 6 62.567 -0.998 16.244 1.00 1.00 N ATOM 80 CA PRO A 6 62.253 -2.060 15.243 1.00 1.00 C ATOM 81 C PRO A 6 61.394 -3.181 15.839 1.00 1.00 C ATOM 82 O PRO A 6 61.550 -3.551 16.986 1.00 1.00 O ATOM 83 CB PRO A 6 63.631 -2.593 14.845 1.00 1.00 C ATOM 84 CG PRO A 6 64.495 -2.353 16.038 1.00 1.00 C ATOM 85 CD PRO A 6 63.956 -1.094 16.723 1.00 1.00 C ATOM 0 HA PRO A 6 61.675 -1.673 14.404 1.00 1.00 H new ATOM 0 HB2 PRO A 6 63.588 -3.653 14.596 1.00 1.00 H new ATOM 0 HB3 PRO A 6 64.017 -2.075 13.967 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.465 -3.206 16.716 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.535 -2.218 15.742 1.00 1.00 H new ATOM 0 HD2 PRO A 6 63.999 -1.180 17.809 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.535 -0.212 16.450 1.00 1.00 H new ATOM 93 N LYS A 7 60.492 -3.726 15.067 1.00 1.00 N ATOM 94 CA LYS A 7 59.624 -4.825 15.583 1.00 1.00 C ATOM 95 C LYS A 7 60.147 -6.168 15.069 1.00 1.00 C ATOM 96 O LYS A 7 61.336 -6.362 14.910 1.00 1.00 O ATOM 97 CB LYS A 7 58.190 -4.614 15.090 1.00 1.00 C ATOM 98 CG LYS A 7 57.670 -3.266 15.594 1.00 1.00 C ATOM 99 CD LYS A 7 56.326 -2.957 14.932 1.00 1.00 C ATOM 100 CE LYS A 7 56.564 -2.245 13.599 1.00 1.00 C ATOM 101 NZ LYS A 7 55.255 -1.874 12.993 1.00 1.00 N ATOM 0 H LYS A 7 60.318 -3.457 14.099 1.00 1.00 H new ATOM 0 HA LYS A 7 59.638 -4.821 16.673 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.161 -4.643 14.001 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.549 -5.420 15.448 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.556 -3.290 16.678 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.389 -2.479 15.366 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.769 -3.879 14.769 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.721 -2.331 15.588 1.00 1.00 H new ATOM 0 HE2 LYS A 7 57.171 -1.353 13.754 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.119 -2.894 12.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 55.417 -1.390 12.087 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 54.692 -2.733 12.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.741 -1.240 13.637 1.00 1.00 H new ATOM 115 N ALA A 8 59.270 -7.099 14.807 1.00 1.00 N ATOM 116 CA ALA A 8 59.721 -8.427 14.303 1.00 1.00 C ATOM 117 C ALA A 8 60.431 -8.247 12.960 1.00 1.00 C ATOM 118 O ALA A 8 59.803 -8.118 11.928 1.00 1.00 O ATOM 119 CB ALA A 8 58.510 -9.343 14.122 1.00 1.00 C ATOM 0 H ALA A 8 58.261 -6.997 14.920 1.00 1.00 H new ATOM 0 HA ALA A 8 60.409 -8.874 15.021 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.840 -10.314 13.753 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.004 -9.471 15.079 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.821 -8.898 13.404 1.00 1.00 H new ATOM 125 N GLU A 9 61.736 -8.238 12.964 1.00 1.00 N ATOM 126 CA GLU A 9 62.486 -8.067 11.687 1.00 1.00 C ATOM 127 C GLU A 9 63.839 -8.774 11.793 1.00 1.00 C ATOM 128 O GLU A 9 64.487 -8.744 12.819 1.00 1.00 O ATOM 129 CB GLU A 9 62.708 -6.576 11.423 1.00 1.00 C ATOM 130 CG GLU A 9 63.226 -6.382 9.997 1.00 1.00 C ATOM 131 CD GLU A 9 62.092 -6.635 9.002 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.257 -5.758 8.850 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.077 -7.701 8.409 1.00 1.00 O ATOM 0 H GLU A 9 62.316 -8.342 13.797 1.00 1.00 H new ATOM 0 HA GLU A 9 61.913 -8.500 10.867 1.00 1.00 H new ATOM 0 HB2 GLU A 9 61.775 -6.029 11.560 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.423 -6.172 12.139 1.00 1.00 H new ATOM 0 HG2 GLU A 9 63.613 -5.370 9.874 1.00 1.00 H new ATOM 0 HG3 GLU A 9 64.053 -7.065 9.803 1.00 1.00 H new ATOM 140 N CYS A 10 64.268 -9.414 10.739 1.00 1.00 N ATOM 141 CA CYS A 10 65.577 -10.125 10.782 1.00 1.00 C ATOM 142 C CYS A 10 65.976 -10.544 9.365 1.00 1.00 C ATOM 143 O CYS A 10 66.458 -9.748 8.584 1.00 1.00 O ATOM 144 CB CYS A 10 65.454 -11.366 11.668 1.00 1.00 C ATOM 145 SG CYS A 10 63.846 -12.148 11.390 1.00 1.00 S ATOM 0 H CYS A 10 63.769 -9.475 9.851 1.00 1.00 H new ATOM 0 HA CYS A 10 66.339 -9.462 11.192 1.00 1.00 H new ATOM 0 HB2 CYS A 10 66.256 -12.069 11.442 1.00 1.00 H new ATOM 0 HB3 CYS A 10 65.559 -11.089 12.717 1.00 1.00 H new ATOM 150 N ARG A 11 65.780 -11.789 9.028 1.00 1.00 N ATOM 151 CA ARG A 11 66.149 -12.258 7.662 1.00 1.00 C ATOM 152 C ARG A 11 65.621 -13.679 7.451 1.00 1.00 C ATOM 153 O ARG A 11 66.303 -14.650 7.714 1.00 1.00 O ATOM 154 CB ARG A 11 67.675 -12.250 7.516 1.00 1.00 C ATOM 155 CG ARG A 11 68.050 -12.302 6.034 1.00 1.00 C ATOM 156 CD ARG A 11 68.112 -10.880 5.472 1.00 1.00 C ATOM 157 NE ARG A 11 69.367 -10.220 5.929 1.00 1.00 N ATOM 158 CZ ARG A 11 69.770 -9.118 5.358 1.00 1.00 C ATOM 159 NH1 ARG A 11 69.073 -8.594 4.387 1.00 1.00 N ATOM 160 NH2 ARG A 11 70.869 -8.540 5.758 1.00 1.00 N ATOM 0 H ARG A 11 65.381 -12.502 9.639 1.00 1.00 H new ATOM 0 HA ARG A 11 65.710 -11.595 6.917 1.00 1.00 H new ATOM 0 HB2 ARG A 11 68.089 -11.352 7.975 1.00 1.00 H new ATOM 0 HB3 ARG A 11 68.105 -13.104 8.040 1.00 1.00 H new ATOM 0 HG2 ARG A 11 69.014 -12.796 5.909 1.00 1.00 H new ATOM 0 HG3 ARG A 11 67.316 -12.890 5.483 1.00 1.00 H new ATOM 0 HD2 ARG A 11 68.078 -10.906 4.383 1.00 1.00 H new ATOM 0 HD3 ARG A 11 67.246 -10.308 5.804 1.00 1.00 H new ATOM 0 HE ARG A 11 69.911 -10.630 6.688 1.00 1.00 H new ATOM 0 HH11 ARG A 11 68.214 -9.046 4.075 1.00 1.00 H new ATOM 0 HH12 ARG A 11 69.388 -7.733 3.940 1.00 1.00 H new ATOM 0 HH21 ARG A 11 71.413 -8.949 6.517 1.00 1.00 H new ATOM 0 HH22 ARG A 11 71.184 -7.679 5.312 1.00 1.00 H new ATOM 174 N SER A 12 64.412 -13.809 6.977 1.00 1.00 N ATOM 175 CA SER A 12 63.843 -15.167 6.749 1.00 1.00 C ATOM 176 C SER A 12 62.511 -15.043 6.007 1.00 1.00 C ATOM 177 O SER A 12 62.037 -15.984 5.402 1.00 1.00 O ATOM 178 CB SER A 12 63.614 -15.856 8.095 1.00 1.00 C ATOM 179 OG SER A 12 62.369 -15.434 8.633 1.00 1.00 O ATOM 0 H SER A 12 63.794 -13.034 6.738 1.00 1.00 H new ATOM 0 HA SER A 12 64.538 -15.757 6.152 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.620 -16.939 7.968 1.00 1.00 H new ATOM 0 HB3 SER A 12 64.422 -15.611 8.784 1.00 1.00 H new ATOM 0 HG SER A 12 62.524 -14.758 9.325 1.00 1.00 H new ATOM 185 N ALA A 13 61.903 -13.889 6.048 1.00 1.00 N ATOM 186 CA ALA A 13 60.602 -13.707 5.345 1.00 1.00 C ATOM 187 C ALA A 13 60.344 -12.214 5.128 1.00 1.00 C ATOM 188 O ALA A 13 60.769 -11.637 4.147 1.00 1.00 O ATOM 189 CB ALA A 13 59.476 -14.301 6.193 1.00 1.00 C ATOM 0 H ALA A 13 62.251 -13.065 6.538 1.00 1.00 H new ATOM 0 HA ALA A 13 60.636 -14.214 4.381 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.524 -14.168 5.679 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.659 -15.364 6.348 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.441 -13.795 7.158 1.00 1.00 H new ATOM 195 N THR A 14 59.652 -11.585 6.037 1.00 1.00 N ATOM 196 CA THR A 14 59.367 -10.130 5.883 1.00 1.00 C ATOM 197 C THR A 14 58.750 -9.875 4.506 1.00 1.00 C ATOM 198 O THR A 14 59.160 -8.987 3.787 1.00 1.00 O ATOM 199 CB THR A 14 60.672 -9.339 6.014 1.00 1.00 C ATOM 200 OG1 THR A 14 61.432 -9.860 7.095 1.00 1.00 O ATOM 201 CG2 THR A 14 60.354 -7.865 6.274 1.00 1.00 C ATOM 0 H THR A 14 59.271 -12.015 6.880 1.00 1.00 H new ATOM 0 HA THR A 14 58.670 -9.811 6.658 1.00 1.00 H new ATOM 0 HB THR A 14 61.245 -9.426 5.091 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.531 -9.173 7.787 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.283 -7.303 6.367 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.771 -7.467 5.444 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.781 -7.774 7.197 1.00 1.00 H new ATOM 209 N ARG A 15 57.765 -10.649 4.135 1.00 1.00 N ATOM 210 CA ARG A 15 57.118 -10.454 2.806 1.00 1.00 C ATOM 211 C ARG A 15 58.181 -10.503 1.705 1.00 1.00 C ATOM 212 O ARG A 15 59.365 -10.454 1.969 1.00 1.00 O ATOM 213 CB ARG A 15 56.410 -9.096 2.776 1.00 1.00 C ATOM 214 CG ARG A 15 55.650 -8.944 1.457 1.00 1.00 C ATOM 215 CD ARG A 15 54.600 -7.840 1.596 1.00 1.00 C ATOM 216 NE ARG A 15 53.460 -8.338 2.416 1.00 1.00 N ATOM 217 CZ ARG A 15 52.312 -7.719 2.381 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.162 -6.664 1.627 1.00 1.00 N ATOM 219 NH2 ARG A 15 51.313 -8.155 3.099 1.00 1.00 N ATOM 0 H ARG A 15 57.380 -11.409 4.696 1.00 1.00 H new ATOM 0 HA ARG A 15 56.389 -11.247 2.639 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.721 -9.015 3.616 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.138 -8.292 2.883 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.343 -8.702 0.652 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.170 -9.886 1.191 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.042 -6.960 2.064 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.247 -7.533 0.611 1.00 1.00 H new ATOM 0 HE ARG A 15 53.577 -9.163 3.005 1.00 1.00 H new ATOM 0 HH11 ARG A 15 52.942 -6.324 1.065 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.264 -6.180 1.600 1.00 1.00 H new ATOM 0 HH21 ARG A 15 51.430 -8.980 3.688 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.416 -7.671 3.071 1.00 1.00 H new ATOM 233 N VAL A 16 57.762 -10.601 0.470 1.00 1.00 N ATOM 234 CA VAL A 16 58.738 -10.655 -0.660 1.00 1.00 C ATOM 235 C VAL A 16 58.420 -9.537 -1.656 1.00 1.00 C ATOM 236 O VAL A 16 57.309 -9.049 -1.721 1.00 1.00 O ATOM 237 CB VAL A 16 58.625 -12.009 -1.363 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.119 -13.114 -0.427 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.163 -12.270 -1.731 1.00 1.00 C ATOM 0 H VAL A 16 56.781 -10.646 0.194 1.00 1.00 H new ATOM 0 HA VAL A 16 59.750 -10.527 -0.277 1.00 1.00 H new ATOM 0 HB VAL A 16 59.233 -12.001 -2.267 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.038 -14.079 -0.928 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.160 -12.928 -0.163 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.511 -13.123 0.478 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.081 -13.234 -2.232 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.556 -12.278 -0.826 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.810 -11.483 -2.398 1.00 1.00 H new ATOM 249 N MET A 17 59.386 -9.127 -2.433 1.00 1.00 N ATOM 250 CA MET A 17 59.134 -8.040 -3.422 1.00 1.00 C ATOM 251 C MET A 17 60.187 -8.099 -4.531 1.00 1.00 C ATOM 252 O MET A 17 60.415 -7.134 -5.234 1.00 1.00 O ATOM 253 CB MET A 17 59.211 -6.682 -2.718 1.00 1.00 C ATOM 254 CG MET A 17 60.453 -6.638 -1.825 1.00 1.00 C ATOM 255 SD MET A 17 60.131 -7.555 -0.299 1.00 1.00 S ATOM 256 CE MET A 17 61.841 -7.622 0.290 1.00 1.00 C ATOM 0 H MET A 17 60.337 -9.497 -2.426 1.00 1.00 H new ATOM 0 HA MET A 17 58.143 -8.170 -3.857 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.252 -5.880 -3.455 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.314 -6.519 -2.120 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.306 -7.070 -2.348 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.711 -5.605 -1.593 1.00 1.00 H new ATOM 0 HE1 MET A 17 61.878 -8.156 1.240 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.458 -8.142 -0.443 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.218 -6.609 0.428 1.00 1.00 H new ATOM 266 N GLY A 18 60.831 -9.222 -4.694 1.00 1.00 N ATOM 267 CA GLY A 18 61.869 -9.338 -5.759 1.00 1.00 C ATOM 268 C GLY A 18 61.199 -9.654 -7.098 1.00 1.00 C ATOM 269 O GLY A 18 61.856 -9.818 -8.107 1.00 1.00 O ATOM 0 H GLY A 18 60.684 -10.064 -4.137 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.433 -8.408 -5.834 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.581 -10.123 -5.503 1.00 1.00 H new ATOM 273 N GLY A 19 59.897 -9.742 -7.117 1.00 1.00 N ATOM 274 CA GLY A 19 59.187 -10.049 -8.393 1.00 1.00 C ATOM 275 C GLY A 19 58.967 -8.756 -9.183 1.00 1.00 C ATOM 276 O GLY A 19 59.515 -8.572 -10.252 1.00 1.00 O ATOM 0 H GLY A 19 59.294 -9.615 -6.305 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.771 -10.754 -8.985 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.230 -10.526 -8.183 1.00 1.00 H new ATOM 280 N PRO A 20 58.167 -7.868 -8.657 1.00 1.00 N ATOM 281 CA PRO A 20 57.861 -6.567 -9.314 1.00 1.00 C ATOM 282 C PRO A 20 59.107 -5.915 -9.922 1.00 1.00 C ATOM 283 O PRO A 20 59.018 -5.093 -10.812 1.00 1.00 O ATOM 284 CB PRO A 20 57.308 -5.716 -8.170 1.00 1.00 C ATOM 285 CG PRO A 20 56.691 -6.692 -7.223 1.00 1.00 C ATOM 286 CD PRO A 20 57.463 -8.006 -7.371 1.00 1.00 C ATOM 0 HA PRO A 20 57.169 -6.681 -10.148 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.099 -5.144 -7.686 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.572 -4.999 -8.532 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.748 -6.324 -6.198 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.635 -6.837 -7.452 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.162 -8.152 -6.548 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.791 -8.864 -7.375 1.00 1.00 H new ATOM 294 N CYS A 21 60.269 -6.274 -9.447 1.00 1.00 N ATOM 295 CA CYS A 21 61.519 -5.675 -9.995 1.00 1.00 C ATOM 296 C CYS A 21 62.061 -6.561 -11.119 1.00 1.00 C ATOM 297 O CYS A 21 62.192 -7.760 -10.968 1.00 1.00 O ATOM 298 CB CYS A 21 62.563 -5.570 -8.882 1.00 1.00 C ATOM 299 SG CYS A 21 62.085 -4.260 -7.728 1.00 1.00 S ATOM 0 H CYS A 21 60.406 -6.957 -8.702 1.00 1.00 H new ATOM 0 HA CYS A 21 61.303 -4.681 -10.388 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.646 -6.521 -8.355 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.543 -5.355 -9.307 1.00 1.00 H new ATOM 304 N THR A 22 62.378 -5.980 -12.245 1.00 1.00 N ATOM 305 CA THR A 22 62.913 -6.785 -13.381 1.00 1.00 C ATOM 306 C THR A 22 63.985 -5.971 -14.117 1.00 1.00 C ATOM 307 O THR A 22 63.942 -4.757 -14.134 1.00 1.00 O ATOM 308 CB THR A 22 61.772 -7.120 -14.347 1.00 1.00 C ATOM 309 OG1 THR A 22 60.948 -5.976 -14.518 1.00 1.00 O ATOM 310 CG2 THR A 22 60.940 -8.271 -13.778 1.00 1.00 C ATOM 0 H THR A 22 62.289 -4.980 -12.427 1.00 1.00 H new ATOM 0 HA THR A 22 63.352 -7.708 -13.003 1.00 1.00 H new ATOM 0 HB THR A 22 62.186 -7.417 -15.310 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.218 -6.188 -15.137 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.129 -8.508 -14.466 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.574 -9.148 -13.648 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.524 -7.978 -12.814 1.00 1.00 H new ATOM 318 N PRO A 23 64.939 -6.632 -14.725 1.00 1.00 N ATOM 319 CA PRO A 23 66.032 -5.956 -15.475 1.00 1.00 C ATOM 320 C PRO A 23 65.536 -4.728 -16.249 1.00 1.00 C ATOM 321 O PRO A 23 65.184 -4.815 -17.409 1.00 1.00 O ATOM 322 CB PRO A 23 66.519 -7.043 -16.433 1.00 1.00 C ATOM 323 CG PRO A 23 66.263 -8.331 -15.720 1.00 1.00 C ATOM 324 CD PRO A 23 65.081 -8.096 -14.770 1.00 1.00 C ATOM 0 HA PRO A 23 66.810 -5.572 -14.815 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.982 -7.003 -17.381 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.578 -6.922 -16.661 1.00 1.00 H new ATOM 0 HG2 PRO A 23 66.034 -9.125 -16.430 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.147 -8.646 -15.165 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.173 -8.573 -15.139 1.00 1.00 H new ATOM 0 HD3 PRO A 23 65.278 -8.508 -13.780 1.00 1.00 H new ATOM 332 N ARG A 24 65.507 -3.587 -15.612 1.00 1.00 N ATOM 333 CA ARG A 24 65.035 -2.348 -16.301 1.00 1.00 C ATOM 334 C ARG A 24 66.210 -1.381 -16.471 1.00 1.00 C ATOM 335 O ARG A 24 66.105 -0.205 -16.185 1.00 1.00 O ATOM 336 CB ARG A 24 63.945 -1.683 -15.455 1.00 1.00 C ATOM 337 CG ARG A 24 63.169 -0.684 -16.315 1.00 1.00 C ATOM 338 CD ARG A 24 62.007 -0.106 -15.504 1.00 1.00 C ATOM 339 NE ARG A 24 61.088 0.636 -16.412 1.00 1.00 N ATOM 340 CZ ARG A 24 60.313 -0.018 -17.233 1.00 1.00 C ATOM 341 NH1 ARG A 24 60.342 -1.322 -17.259 1.00 1.00 N ATOM 342 NH2 ARG A 24 59.508 0.633 -18.028 1.00 1.00 N ATOM 0 H ARG A 24 65.791 -3.459 -14.641 1.00 1.00 H new ATOM 0 HA ARG A 24 64.632 -2.605 -17.281 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.268 -2.438 -15.056 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.392 -1.174 -14.602 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.830 0.117 -16.646 1.00 1.00 H new ATOM 0 HG3 ARG A 24 62.791 -1.176 -17.211 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.468 -0.908 -14.999 1.00 1.00 H new ATOM 0 HD3 ARG A 24 62.386 0.560 -14.729 1.00 1.00 H new ATOM 0 HE ARG A 24 61.065 1.656 -16.392 1.00 1.00 H new ATOM 0 HH11 ARG A 24 60.971 -1.831 -16.637 1.00 1.00 H new ATOM 0 HH12 ARG A 24 59.736 -1.833 -17.901 1.00 1.00 H new ATOM 0 HH21 ARG A 24 59.485 1.653 -18.007 1.00 1.00 H new ATOM 0 HH22 ARG A 24 58.902 0.122 -18.670 1.00 1.00 H new ATOM 356 N LYS A 25 67.329 -1.868 -16.935 1.00 1.00 N ATOM 357 CA LYS A 25 68.511 -0.978 -17.124 1.00 1.00 C ATOM 358 C LYS A 25 68.502 -0.413 -18.546 1.00 1.00 C ATOM 359 O LYS A 25 67.583 -0.636 -19.308 1.00 1.00 O ATOM 360 CB LYS A 25 69.797 -1.781 -16.904 1.00 1.00 C ATOM 361 CG LYS A 25 69.706 -3.113 -17.651 1.00 1.00 C ATOM 362 CD LYS A 25 69.171 -4.192 -16.708 1.00 1.00 C ATOM 363 CE LYS A 25 70.332 -4.806 -15.923 1.00 1.00 C ATOM 364 NZ LYS A 25 69.794 -5.662 -14.829 1.00 1.00 N ATOM 0 H LYS A 25 67.476 -2.844 -17.192 1.00 1.00 H new ATOM 0 HA LYS A 25 68.466 -0.159 -16.406 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.657 -1.213 -17.257 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.948 -1.959 -15.839 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.050 -3.013 -18.516 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.688 -3.399 -18.028 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.442 -3.761 -16.022 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.655 -4.964 -17.278 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.961 -5.399 -16.587 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.961 -4.019 -15.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 70.583 -6.080 -14.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.211 -5.084 -14.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.212 -6.421 -15.237 1.00 1.00 H new ATOM 378 N GLY A 26 69.522 0.316 -18.911 1.00 1.00 N ATOM 379 CA GLY A 26 69.573 0.893 -20.284 1.00 1.00 C ATOM 380 C GLY A 26 70.832 1.749 -20.434 1.00 1.00 C ATOM 381 O GLY A 26 71.606 1.895 -19.508 1.00 1.00 O ATOM 0 H GLY A 26 70.322 0.537 -18.318 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.574 0.094 -21.025 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.685 1.498 -20.468 1.00 1.00 H new ATOM 385 N PRO A 27 71.033 2.312 -21.596 1.00 1.00 N ATOM 386 CA PRO A 27 72.217 3.173 -21.884 1.00 1.00 C ATOM 387 C PRO A 27 72.449 4.219 -20.785 1.00 1.00 C ATOM 388 O PRO A 27 71.550 4.544 -20.034 1.00 1.00 O ATOM 389 CB PRO A 27 71.855 3.853 -23.209 1.00 1.00 C ATOM 390 CG PRO A 27 70.896 2.925 -23.878 1.00 1.00 C ATOM 391 CD PRO A 27 70.149 2.187 -22.766 1.00 1.00 C ATOM 0 HA PRO A 27 73.141 2.597 -21.931 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.403 4.830 -23.039 1.00 1.00 H new ATOM 0 HB3 PRO A 27 72.741 4.014 -23.824 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.201 3.477 -24.511 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.424 2.222 -24.522 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.173 2.633 -22.577 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.977 1.143 -23.026 1.00 1.00 H new ATOM 399 N PRO A 28 73.645 4.745 -20.692 1.00 1.00 N ATOM 400 CA PRO A 28 73.992 5.771 -19.671 1.00 1.00 C ATOM 401 C PRO A 28 72.867 6.791 -19.470 1.00 1.00 C ATOM 402 O PRO A 28 72.178 7.160 -20.400 1.00 1.00 O ATOM 403 CB PRO A 28 75.234 6.442 -20.256 1.00 1.00 C ATOM 404 CG PRO A 28 75.897 5.383 -21.076 1.00 1.00 C ATOM 405 CD PRO A 28 74.798 4.424 -21.550 1.00 1.00 C ATOM 0 HA PRO A 28 74.155 5.334 -18.686 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.966 7.304 -20.867 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.895 6.803 -19.468 1.00 1.00 H new ATOM 0 HG2 PRO A 28 76.417 5.824 -21.927 1.00 1.00 H new ATOM 0 HG3 PRO A 28 76.644 4.851 -20.487 1.00 1.00 H new ATOM 0 HD2 PRO A 28 74.565 4.575 -22.604 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.101 3.383 -21.437 1.00 1.00 H new ATOM 413 N LYS A 29 72.676 7.248 -18.263 1.00 1.00 N ATOM 414 CA LYS A 29 71.595 8.241 -18.004 1.00 1.00 C ATOM 415 C LYS A 29 71.955 9.079 -16.776 1.00 1.00 C ATOM 416 O LYS A 29 71.124 9.352 -15.933 1.00 1.00 O ATOM 417 CB LYS A 29 70.278 7.504 -17.751 1.00 1.00 C ATOM 418 CG LYS A 29 70.497 6.410 -16.705 1.00 1.00 C ATOM 419 CD LYS A 29 69.148 5.813 -16.299 1.00 1.00 C ATOM 420 CE LYS A 29 68.606 4.952 -17.441 1.00 1.00 C ATOM 421 NZ LYS A 29 67.532 4.058 -16.922 1.00 1.00 N ATOM 0 H LYS A 29 73.222 6.977 -17.445 1.00 1.00 H new ATOM 0 HA LYS A 29 71.486 8.895 -18.869 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.518 8.205 -17.406 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.910 7.066 -18.679 1.00 1.00 H new ATOM 0 HG2 LYS A 29 71.144 5.631 -17.108 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.001 6.823 -15.831 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.262 5.211 -15.398 1.00 1.00 H new ATOM 0 HD3 LYS A 29 68.442 6.609 -16.063 1.00 1.00 H new ATOM 0 HE2 LYS A 29 68.213 5.587 -18.235 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.410 4.358 -17.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 67.163 3.472 -17.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.921 3.443 -16.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 66.762 4.634 -16.527 1.00 1.00 H new ATOM 435 N CYS A 30 73.189 9.491 -16.669 1.00 1.00 N ATOM 436 CA CYS A 30 73.602 10.311 -15.495 1.00 1.00 C ATOM 437 C CYS A 30 74.842 11.132 -15.858 1.00 1.00 C ATOM 438 O CYS A 30 75.456 10.924 -16.886 1.00 1.00 O ATOM 439 CB CYS A 30 73.924 9.388 -14.317 1.00 1.00 C ATOM 440 SG CYS A 30 73.693 10.288 -12.764 1.00 1.00 S ATOM 0 H CYS A 30 73.929 9.295 -17.344 1.00 1.00 H new ATOM 0 HA CYS A 30 72.791 10.984 -15.216 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.277 8.511 -14.341 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.950 9.029 -14.392 1.00 1.00 H new ATOM 445 N LYS A 31 75.215 12.064 -15.024 1.00 1.00 N ATOM 446 CA LYS A 31 76.415 12.899 -15.324 1.00 1.00 C ATOM 447 C LYS A 31 77.669 12.196 -14.796 1.00 1.00 C ATOM 448 O LYS A 31 78.781 12.586 -15.093 1.00 1.00 O ATOM 449 CB LYS A 31 76.272 14.279 -14.657 1.00 1.00 C ATOM 450 CG LYS A 31 74.939 14.349 -13.909 1.00 1.00 C ATOM 451 CD LYS A 31 74.774 15.738 -13.289 1.00 1.00 C ATOM 452 CE LYS A 31 73.949 16.622 -14.227 1.00 1.00 C ATOM 453 NZ LYS A 31 74.408 16.421 -15.630 1.00 1.00 N ATOM 0 H LYS A 31 74.741 12.284 -14.148 1.00 1.00 H new ATOM 0 HA LYS A 31 76.501 13.033 -16.402 1.00 1.00 H new ATOM 0 HB2 LYS A 31 77.098 14.448 -13.966 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.320 15.065 -15.410 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.115 14.144 -14.593 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.906 13.586 -13.132 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.281 15.659 -12.320 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.751 16.188 -13.114 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.891 16.375 -14.140 1.00 1.00 H new ATOM 0 HE3 LYS A 31 74.056 17.669 -13.945 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.932 17.105 -16.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 75.437 16.563 -15.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.176 15.455 -15.936 1.00 1.00 H new ATOM 467 N GLN A 32 77.500 11.164 -14.016 1.00 1.00 N ATOM 468 CA GLN A 32 78.685 10.440 -13.471 1.00 1.00 C ATOM 469 C GLN A 32 78.253 9.054 -12.984 1.00 1.00 C ATOM 470 O GLN A 32 77.232 8.900 -12.343 1.00 1.00 O ATOM 471 CB GLN A 32 79.279 11.242 -12.301 1.00 1.00 C ATOM 472 CG GLN A 32 80.657 11.777 -12.694 1.00 1.00 C ATOM 473 CD GLN A 32 81.630 10.608 -12.862 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.561 9.595 -12.042 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 82.462 10.617 -13.747 1.00 1.00 N flip ATOM 0 H GLN A 32 76.594 10.790 -13.732 1.00 1.00 H new ATOM 0 HA GLN A 32 79.439 10.329 -14.250 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.618 12.068 -12.040 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.362 10.609 -11.418 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.588 12.343 -13.623 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.024 12.463 -11.930 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.516 11.409 -14.388 1.00 1.00 H new ATOM 0 HE22 GLN A 32 83.106 9.833 -13.849 1.00 1.00 H new ATOM 484 N ARG A 33 79.023 8.044 -13.284 1.00 1.00 N ATOM 485 CA ARG A 33 78.662 6.671 -12.841 1.00 1.00 C ATOM 486 C ARG A 33 79.908 5.783 -12.886 1.00 1.00 C ATOM 487 O ARG A 33 79.931 4.698 -12.339 1.00 1.00 O ATOM 488 CB ARG A 33 77.589 6.101 -13.774 1.00 1.00 C ATOM 489 CG ARG A 33 76.934 4.883 -13.121 1.00 1.00 C ATOM 490 CD ARG A 33 75.742 5.336 -12.275 1.00 1.00 C ATOM 491 NE ARG A 33 75.219 4.179 -11.495 1.00 1.00 N ATOM 492 CZ ARG A 33 74.598 3.207 -12.106 1.00 1.00 C ATOM 493 NH1 ARG A 33 74.435 3.249 -13.400 1.00 1.00 N ATOM 494 NH2 ARG A 33 74.139 2.194 -11.423 1.00 1.00 N ATOM 0 H ARG A 33 79.889 8.113 -13.819 1.00 1.00 H new ATOM 0 HA ARG A 33 78.274 6.703 -11.823 1.00 1.00 H new ATOM 0 HB2 ARG A 33 76.837 6.861 -13.986 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.035 5.819 -14.728 1.00 1.00 H new ATOM 0 HG2 ARG A 33 76.604 4.180 -13.886 1.00 1.00 H new ATOM 0 HG3 ARG A 33 77.658 4.358 -12.497 1.00 1.00 H new ATOM 0 HD2 ARG A 33 76.045 6.137 -11.600 1.00 1.00 H new ATOM 0 HD3 ARG A 33 74.959 5.739 -12.917 1.00 1.00 H new ATOM 0 HE ARG A 33 75.346 4.147 -10.483 1.00 1.00 H new ATOM 0 HH11 ARG A 33 74.793 4.041 -13.934 1.00 1.00 H new ATOM 0 HH12 ARG A 33 73.950 2.490 -13.878 1.00 1.00 H new ATOM 0 HH21 ARG A 33 74.265 2.162 -10.411 1.00 1.00 H new ATOM 0 HH22 ARG A 33 73.654 1.435 -11.901 1.00 1.00 H new ATOM 508 N GLN A 34 80.949 6.237 -13.533 1.00 1.00 N ATOM 509 CA GLN A 34 82.197 5.424 -13.615 1.00 1.00 C ATOM 510 C GLN A 34 83.413 6.347 -13.505 1.00 1.00 C ATOM 511 O GLN A 34 83.474 7.209 -12.652 1.00 1.00 O ATOM 512 CB GLN A 34 82.234 4.682 -14.956 1.00 1.00 C ATOM 513 CG GLN A 34 83.196 3.497 -14.859 1.00 1.00 C ATOM 514 CD GLN A 34 82.563 2.392 -14.011 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.559 1.821 -14.387 1.00 1.00 O ATOM 516 NE2 GLN A 34 83.112 2.065 -12.873 1.00 1.00 N ATOM 0 H GLN A 34 80.988 7.138 -14.009 1.00 1.00 H new ATOM 0 HA GLN A 34 82.217 4.700 -12.800 1.00 1.00 H new ATOM 0 HB2 GLN A 34 81.235 4.332 -15.218 1.00 1.00 H new ATOM 0 HB3 GLN A 34 82.553 5.358 -15.749 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.425 3.119 -15.855 1.00 1.00 H new ATOM 0 HG3 GLN A 34 84.139 3.816 -14.414 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.955 2.544 -12.557 1.00 1.00 H new ATOM 0 HE22 GLN A 34 82.698 1.330 -12.300 1.00 1.00 H new ATOM 525 N THR A 35 84.382 6.174 -14.362 1.00 1.00 N ATOM 526 CA THR A 35 85.593 7.041 -14.306 1.00 1.00 C ATOM 527 C THR A 35 86.097 7.122 -12.863 1.00 1.00 C ATOM 528 O THR A 35 86.744 8.075 -12.476 1.00 1.00 O ATOM 529 CB THR A 35 85.239 8.445 -14.804 1.00 1.00 C ATOM 530 OG1 THR A 35 84.369 9.071 -13.871 1.00 1.00 O ATOM 531 CG2 THR A 35 84.547 8.347 -16.165 1.00 1.00 C ATOM 0 H THR A 35 84.387 5.469 -15.099 1.00 1.00 H new ATOM 0 HA THR A 35 86.373 6.617 -14.939 1.00 1.00 H new ATOM 0 HB THR A 35 86.150 9.036 -14.905 1.00 1.00 H new ATOM 0 HG1 THR A 35 84.219 8.472 -13.110 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.296 9.347 -16.518 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.216 7.867 -16.880 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.636 7.757 -16.068 1.00 1.00 H new ATOM 539 N ARG A 36 85.805 6.127 -12.066 1.00 1.00 N ATOM 540 CA ARG A 36 86.264 6.137 -10.644 1.00 1.00 C ATOM 541 C ARG A 36 87.083 4.874 -10.368 1.00 1.00 C ATOM 542 O ARG A 36 87.767 4.771 -9.369 1.00 1.00 O ATOM 543 CB ARG A 36 85.045 6.175 -9.717 1.00 1.00 C ATOM 544 CG ARG A 36 84.320 4.829 -9.767 1.00 1.00 C ATOM 545 CD ARG A 36 82.863 5.017 -9.341 1.00 1.00 C ATOM 546 NE ARG A 36 82.754 6.211 -8.457 1.00 1.00 N ATOM 547 CZ ARG A 36 83.208 6.162 -7.234 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.758 5.066 -6.786 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.113 7.208 -6.460 1.00 1.00 N ATOM 0 H ARG A 36 85.267 5.305 -12.339 1.00 1.00 H new ATOM 0 HA ARG A 36 86.882 7.016 -10.463 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.359 6.393 -8.696 1.00 1.00 H new ATOM 0 HB3 ARG A 36 84.370 6.975 -10.020 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.365 4.417 -10.775 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.813 4.114 -9.108 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.230 5.142 -10.219 1.00 1.00 H new ATOM 0 HD3 ARG A 36 82.509 4.129 -8.817 1.00 1.00 H new ATOM 0 HE ARG A 36 82.324 7.067 -8.807 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.833 4.249 -7.391 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.113 5.027 -5.831 1.00 1.00 H new ATOM 0 HH21 ARG A 36 82.684 8.064 -6.810 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.468 7.169 -5.504 1.00 1.00 H new ATOM 563 N GLN A 37 87.019 3.912 -11.248 1.00 1.00 N ATOM 564 CA GLN A 37 87.793 2.656 -11.039 1.00 1.00 C ATOM 565 C GLN A 37 87.519 2.113 -9.635 1.00 1.00 C ATOM 566 O GLN A 37 88.274 2.343 -8.711 1.00 1.00 O ATOM 567 CB GLN A 37 89.287 2.950 -11.193 1.00 1.00 C ATOM 568 CG GLN A 37 89.558 3.494 -12.597 1.00 1.00 C ATOM 569 CD GLN A 37 91.004 3.987 -12.684 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.707 4.019 -11.694 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.480 4.374 -13.835 1.00 1.00 N ATOM 0 H GLN A 37 86.464 3.942 -12.103 1.00 1.00 H new ATOM 0 HA GLN A 37 87.490 1.914 -11.777 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.605 3.674 -10.443 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.866 2.042 -11.025 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.383 2.716 -13.340 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.871 4.310 -12.821 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.889 4.347 -14.666 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.443 4.704 -13.904 1.00 1.00 H new ATOM 580 N CYS A 38 86.442 1.391 -9.471 1.00 1.00 N ATOM 581 CA CYS A 38 86.112 0.829 -8.130 1.00 1.00 C ATOM 582 C CYS A 38 86.563 -0.632 -8.065 1.00 1.00 C ATOM 583 O CYS A 38 85.835 -1.497 -7.620 1.00 1.00 O ATOM 584 CB CYS A 38 84.601 0.906 -7.905 1.00 1.00 C ATOM 585 SG CYS A 38 84.202 0.263 -6.261 1.00 1.00 S ATOM 0 H CYS A 38 85.776 1.166 -10.210 1.00 1.00 H new ATOM 0 HA CYS A 38 86.625 1.403 -7.358 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.261 1.938 -7.996 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.079 0.330 -8.669 1.00 1.00 H new ATOM 590 N LYS A 39 87.757 -0.914 -8.507 1.00 1.00 N ATOM 591 CA LYS A 39 88.251 -2.319 -8.472 1.00 1.00 C ATOM 592 C LYS A 39 88.349 -2.794 -7.019 1.00 1.00 C ATOM 593 O LYS A 39 87.496 -2.504 -6.204 1.00 1.00 O ATOM 594 CB LYS A 39 89.630 -2.392 -9.135 1.00 1.00 C ATOM 595 CG LYS A 39 90.593 -1.442 -8.421 1.00 1.00 C ATOM 596 CD LYS A 39 91.793 -1.155 -9.325 1.00 1.00 C ATOM 597 CE LYS A 39 92.462 -2.474 -9.720 1.00 1.00 C ATOM 598 NZ LYS A 39 93.802 -2.194 -10.308 1.00 1.00 N ATOM 0 H LYS A 39 88.412 -0.233 -8.891 1.00 1.00 H new ATOM 0 HA LYS A 39 87.556 -2.962 -9.013 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.011 -3.412 -9.093 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.553 -2.124 -10.189 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.083 -0.512 -8.170 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.929 -1.885 -7.483 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.470 -0.618 -10.217 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.507 -0.514 -8.807 1.00 1.00 H new ATOM 0 HE2 LYS A 39 92.564 -3.119 -8.847 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.841 -3.008 -10.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 94.257 -3.090 -10.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 93.693 -1.595 -11.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 94.393 -1.702 -9.607 1.00 1.00 H new ATOM 612 N SER A 40 89.378 -3.525 -6.690 1.00 1.00 N ATOM 613 CA SER A 40 89.525 -4.022 -5.292 1.00 1.00 C ATOM 614 C SER A 40 89.887 -2.860 -4.365 1.00 1.00 C ATOM 615 O SER A 40 90.730 -2.989 -3.500 1.00 1.00 O ATOM 616 CB SER A 40 90.631 -5.076 -5.240 1.00 1.00 C ATOM 617 OG SER A 40 90.232 -6.212 -5.994 1.00 1.00 O ATOM 0 H SER A 40 90.124 -3.800 -7.329 1.00 1.00 H new ATOM 0 HA SER A 40 88.583 -4.463 -4.966 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.558 -4.667 -5.640 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.829 -5.362 -4.207 1.00 1.00 H new ATOM 0 HG SER A 40 90.940 -6.889 -5.964 1.00 1.00 H new ATOM 623 N LYS A 41 89.257 -1.728 -4.534 1.00 1.00 N ATOM 624 CA LYS A 41 89.564 -0.559 -3.657 1.00 1.00 C ATOM 625 C LYS A 41 89.665 -1.031 -2.197 1.00 1.00 C ATOM 626 O LYS A 41 88.667 -1.343 -1.579 1.00 1.00 O ATOM 627 CB LYS A 41 88.434 0.475 -3.783 1.00 1.00 C ATOM 628 CG LYS A 41 88.894 1.629 -4.677 1.00 1.00 C ATOM 629 CD LYS A 41 87.800 2.697 -4.736 1.00 1.00 C ATOM 630 CE LYS A 41 88.345 3.950 -5.423 1.00 1.00 C ATOM 631 NZ LYS A 41 89.208 4.703 -4.469 1.00 1.00 N ATOM 0 H LYS A 41 88.542 -1.562 -5.242 1.00 1.00 H new ATOM 0 HA LYS A 41 90.509 -0.109 -3.960 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.544 0.007 -4.204 1.00 1.00 H new ATOM 0 HB3 LYS A 41 88.160 0.852 -2.798 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.816 2.059 -4.287 1.00 1.00 H new ATOM 0 HG3 LYS A 41 89.113 1.261 -5.680 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.936 2.317 -5.281 1.00 1.00 H new ATOM 0 HD3 LYS A 41 87.460 2.940 -3.729 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.918 3.673 -6.308 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.522 4.580 -5.761 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 89.385 5.658 -4.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.729 4.773 -3.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.113 4.204 -4.351 1.00 1.00 H new ATOM 645 N PRO A 42 90.856 -1.086 -1.644 1.00 1.00 N ATOM 646 CA PRO A 42 91.059 -1.531 -0.238 1.00 1.00 C ATOM 647 C PRO A 42 90.750 -0.415 0.772 1.00 1.00 C ATOM 648 O PRO A 42 90.719 0.749 0.427 1.00 1.00 O ATOM 649 CB PRO A 42 92.539 -1.915 -0.193 1.00 1.00 C ATOM 650 CG PRO A 42 93.196 -1.086 -1.249 1.00 1.00 C ATOM 651 CD PRO A 42 92.129 -0.738 -2.294 1.00 1.00 C ATOM 0 HA PRO A 42 90.393 -2.350 0.035 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.968 -1.713 0.789 1.00 1.00 H new ATOM 0 HB3 PRO A 42 92.675 -2.979 -0.387 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.619 -0.179 -0.816 1.00 1.00 H new ATOM 0 HG3 PRO A 42 94.019 -1.633 -1.709 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.163 0.318 -2.561 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.274 -1.304 -3.214 1.00 1.00 H new ATOM 659 N PRO A 43 90.518 -0.773 2.009 1.00 1.00 N ATOM 660 CA PRO A 43 90.199 0.209 3.089 1.00 1.00 C ATOM 661 C PRO A 43 91.423 1.026 3.520 1.00 1.00 C ATOM 662 O PRO A 43 92.545 0.561 3.463 1.00 1.00 O ATOM 663 CB PRO A 43 89.708 -0.671 4.242 1.00 1.00 C ATOM 664 CG PRO A 43 90.369 -1.992 4.029 1.00 1.00 C ATOM 665 CD PRO A 43 90.538 -2.155 2.517 1.00 1.00 C ATOM 0 HA PRO A 43 89.468 0.948 2.760 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.980 -0.245 5.207 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.622 -0.767 4.231 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.335 -2.028 4.533 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.764 -2.799 4.441 1.00 1.00 H new ATOM 0 HD2 PRO A 43 91.473 -2.658 2.271 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.733 -2.751 2.087 1.00 1.00 H new ATOM 673 N LYS A 44 91.211 2.240 3.956 1.00 1.00 N ATOM 674 CA LYS A 44 92.352 3.095 4.397 1.00 1.00 C ATOM 675 C LYS A 44 93.510 2.965 3.407 1.00 1.00 C ATOM 676 O LYS A 44 94.527 2.372 3.702 1.00 1.00 O ATOM 677 CB LYS A 44 92.821 2.649 5.781 1.00 1.00 C ATOM 678 CG LYS A 44 91.693 2.853 6.795 1.00 1.00 C ATOM 679 CD LYS A 44 92.259 2.761 8.213 1.00 1.00 C ATOM 680 CE LYS A 44 91.128 2.947 9.227 1.00 1.00 C ATOM 681 NZ LYS A 44 91.707 3.226 10.571 1.00 1.00 N ATOM 0 H LYS A 44 90.292 2.678 4.026 1.00 1.00 H new ATOM 0 HA LYS A 44 92.024 4.134 4.438 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.116 1.600 5.756 1.00 1.00 H new ATOM 0 HB3 LYS A 44 93.700 3.220 6.080 1.00 1.00 H new ATOM 0 HG2 LYS A 44 91.223 3.825 6.642 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.919 2.099 6.651 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.740 1.794 8.362 1.00 1.00 H new ATOM 0 HD3 LYS A 44 93.024 3.524 8.361 1.00 1.00 H new ATOM 0 HE2 LYS A 44 90.481 3.769 8.920 1.00 1.00 H new ATOM 0 HE3 LYS A 44 90.508 2.051 9.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 90.939 3.352 11.261 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 92.307 2.428 10.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 92.280 4.093 10.529 1.00 1.00 H new ATOM 695 N LYS A 45 93.360 3.518 2.236 1.00 1.00 N ATOM 696 CA LYS A 45 94.448 3.432 1.220 1.00 1.00 C ATOM 697 C LYS A 45 93.998 4.145 -0.058 1.00 1.00 C ATOM 698 O LYS A 45 94.597 5.112 -0.484 1.00 1.00 O ATOM 699 CB LYS A 45 94.741 1.957 0.914 1.00 1.00 C ATOM 700 CG LYS A 45 95.602 1.855 -0.347 1.00 1.00 C ATOM 701 CD LYS A 45 96.828 2.758 -0.203 1.00 1.00 C ATOM 702 CE LYS A 45 97.888 2.347 -1.227 1.00 1.00 C ATOM 703 NZ LYS A 45 97.364 2.578 -2.603 1.00 1.00 N ATOM 0 H LYS A 45 92.529 4.028 1.937 1.00 1.00 H new ATOM 0 HA LYS A 45 95.351 3.907 1.603 1.00 1.00 H new ATOM 0 HB2 LYS A 45 95.256 1.496 1.757 1.00 1.00 H new ATOM 0 HB3 LYS A 45 93.808 1.412 0.774 1.00 1.00 H new ATOM 0 HG2 LYS A 45 95.914 0.823 -0.504 1.00 1.00 H new ATOM 0 HG3 LYS A 45 95.021 2.149 -1.221 1.00 1.00 H new ATOM 0 HD2 LYS A 45 96.545 3.800 -0.355 1.00 1.00 H new ATOM 0 HD3 LYS A 45 97.233 2.681 0.806 1.00 1.00 H new ATOM 0 HE2 LYS A 45 98.801 2.922 -1.072 1.00 1.00 H new ATOM 0 HE3 LYS A 45 98.147 1.296 -1.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 98.144 2.512 -3.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 96.646 1.859 -2.826 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 96.935 3.524 -2.657 1.00 1.00 H new ATOM 717 N GLY A 46 92.946 3.675 -0.671 1.00 1.00 N ATOM 718 CA GLY A 46 92.459 4.327 -1.919 1.00 1.00 C ATOM 719 C GLY A 46 91.753 5.636 -1.567 1.00 1.00 C ATOM 720 O GLY A 46 90.825 6.052 -2.232 1.00 1.00 O ATOM 0 H GLY A 46 92.403 2.869 -0.362 1.00 1.00 H new ATOM 0 HA2 GLY A 46 93.295 4.521 -2.591 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.775 3.662 -2.446 1.00 1.00 H new ATOM 724 N VAL A 47 92.184 6.289 -0.523 1.00 1.00 N ATOM 725 CA VAL A 47 91.538 7.571 -0.127 1.00 1.00 C ATOM 726 C VAL A 47 91.474 8.505 -1.337 1.00 1.00 C ATOM 727 O VAL A 47 92.336 8.488 -2.194 1.00 1.00 O ATOM 728 CB VAL A 47 92.353 8.233 0.984 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.112 7.497 2.303 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.840 8.170 0.631 1.00 1.00 C ATOM 0 H VAL A 47 92.956 5.990 0.073 1.00 1.00 H new ATOM 0 HA VAL A 47 90.529 7.372 0.233 1.00 1.00 H new ATOM 0 HB VAL A 47 92.046 9.274 1.088 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.693 7.969 3.095 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.053 7.540 2.556 1.00 1.00 H new ATOM 0 HG13 VAL A 47 92.418 6.456 2.200 1.00 1.00 H new ATOM 0 HG21 VAL A 47 94.422 8.642 1.423 1.00 1.00 H new ATOM 0 HG22 VAL A 47 94.146 7.129 0.527 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.013 8.694 -0.309 1.00 1.00 H new ATOM 740 N GLN A 48 90.460 9.322 -1.412 1.00 1.00 N ATOM 741 CA GLN A 48 90.337 10.260 -2.563 1.00 1.00 C ATOM 742 C GLN A 48 89.544 11.492 -2.125 1.00 1.00 C ATOM 743 O GLN A 48 88.993 12.210 -2.935 1.00 1.00 O ATOM 744 CB GLN A 48 89.608 9.560 -3.716 1.00 1.00 C ATOM 745 CG GLN A 48 89.965 10.245 -5.037 1.00 1.00 C ATOM 746 CD GLN A 48 89.225 9.556 -6.185 1.00 1.00 C ATOM 747 OE1 GLN A 48 89.806 9.273 -7.214 1.00 1.00 O ATOM 748 NE2 GLN A 48 87.958 9.272 -6.053 1.00 1.00 N ATOM 0 H GLN A 48 89.709 9.381 -0.724 1.00 1.00 H new ATOM 0 HA GLN A 48 91.329 10.565 -2.897 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.889 8.508 -3.752 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.531 9.597 -3.555 1.00 1.00 H new ATOM 0 HG2 GLN A 48 89.694 11.300 -4.997 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.041 10.198 -5.204 1.00 1.00 H new ATOM 0 HE21 GLN A 48 87.469 9.509 -5.190 1.00 1.00 H new ATOM 0 HE22 GLN A 48 87.456 8.813 -6.813 1.00 1.00 H new ATOM 757 N GLY A 49 89.478 11.739 -0.844 1.00 1.00 N ATOM 758 CA GLY A 49 88.718 12.921 -0.350 1.00 1.00 C ATOM 759 C GLY A 49 87.242 12.550 -0.203 1.00 1.00 C ATOM 760 O GLY A 49 86.686 11.841 -1.019 1.00 1.00 O ATOM 0 H GLY A 49 89.918 11.172 -0.119 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.119 13.250 0.609 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.828 13.754 -1.044 1.00 1.00 H new ATOM 764 N CYS A 50 86.601 13.022 0.830 1.00 1.00 N ATOM 765 CA CYS A 50 85.162 12.696 1.029 1.00 1.00 C ATOM 766 C CYS A 50 84.552 13.683 2.026 1.00 1.00 C ATOM 767 O CYS A 50 85.213 14.154 2.931 1.00 1.00 O ATOM 768 CB CYS A 50 85.031 11.271 1.574 1.00 1.00 C ATOM 769 SG CYS A 50 85.019 10.097 0.196 1.00 1.00 S ATOM 0 H CYS A 50 87.013 13.620 1.546 1.00 1.00 H new ATOM 0 HA CYS A 50 84.637 12.768 0.077 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.859 11.050 2.247 1.00 1.00 H new ATOM 0 HB3 CYS A 50 84.114 11.175 2.155 1.00 1.00 H new ATOM 774 N GLY A 51 83.297 13.998 1.869 1.00 1.00 N ATOM 775 CA GLY A 51 82.644 14.953 2.809 1.00 1.00 C ATOM 776 C GLY A 51 83.009 14.583 4.247 1.00 1.00 C ATOM 777 O GLY A 51 83.462 15.409 5.014 1.00 1.00 O ATOM 0 H GLY A 51 82.694 13.636 1.130 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.966 15.971 2.591 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.562 14.926 2.679 1.00 1.00 H new ATOM 781 N ASP A 52 82.817 13.345 4.616 1.00 1.00 N ATOM 782 CA ASP A 52 83.155 12.915 6.003 1.00 1.00 C ATOM 783 C ASP A 52 82.384 13.772 7.009 1.00 1.00 C ATOM 784 O ASP A 52 81.971 14.875 6.711 1.00 1.00 O ATOM 785 CB ASP A 52 84.657 13.081 6.239 1.00 1.00 C ATOM 786 CG ASP A 52 85.061 12.328 7.508 1.00 1.00 C ATOM 787 OD1 ASP A 52 84.631 12.732 8.575 1.00 1.00 O ATOM 788 OD2 ASP A 52 85.794 11.360 7.390 1.00 1.00 O ATOM 0 H ASP A 52 82.440 12.612 4.015 1.00 1.00 H new ATOM 0 HA ASP A 52 82.880 11.868 6.133 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.215 12.699 5.384 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.906 14.138 6.336 1.00 1.00 H new ATOM 793 N ASP A 53 82.184 13.272 8.198 1.00 1.00 N ATOM 794 CA ASP A 53 81.440 14.056 9.225 1.00 1.00 C ATOM 795 C ASP A 53 79.990 14.253 8.771 1.00 1.00 C ATOM 796 O ASP A 53 79.094 14.404 9.578 1.00 1.00 O ATOM 797 CB ASP A 53 82.112 15.421 9.412 1.00 1.00 C ATOM 798 CG ASP A 53 81.775 15.971 10.799 1.00 1.00 C ATOM 799 OD1 ASP A 53 82.389 15.528 11.756 1.00 1.00 O ATOM 800 OD2 ASP A 53 80.908 16.825 10.882 1.00 1.00 O ATOM 0 H ASP A 53 82.504 12.353 8.503 1.00 1.00 H new ATOM 0 HA ASP A 53 81.450 13.515 10.171 1.00 1.00 H new ATOM 0 HB2 ASP A 53 83.192 15.325 9.300 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.772 16.114 8.642 1.00 1.00 H new ATOM 805 N ILE A 54 79.751 14.254 7.487 1.00 1.00 N ATOM 806 CA ILE A 54 78.362 14.444 6.984 1.00 1.00 C ATOM 807 C ILE A 54 78.200 13.708 5.649 1.00 1.00 C ATOM 808 O ILE A 54 78.250 14.308 4.594 1.00 1.00 O ATOM 809 CB ILE A 54 78.099 15.939 6.775 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.343 16.595 6.171 1.00 1.00 C ATOM 811 CG2 ILE A 54 77.780 16.595 8.120 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.993 18.001 5.683 1.00 1.00 C ATOM 0 H ILE A 54 80.460 14.131 6.764 1.00 1.00 H new ATOM 0 HA ILE A 54 77.652 14.045 7.709 1.00 1.00 H new ATOM 0 HB ILE A 54 77.254 16.068 6.099 1.00 1.00 H new ATOM 0 HG12 ILE A 54 80.138 16.644 6.915 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.718 15.994 5.343 1.00 1.00 H new ATOM 0 HG21 ILE A 54 77.593 17.658 7.971 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.895 16.128 8.552 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.625 16.467 8.797 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.879 18.468 5.253 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.212 17.939 4.926 1.00 1.00 H new ATOM 0 HD13 ILE A 54 78.638 18.600 6.522 1.00 1.00 H new ATOM 824 N PRO A 55 78.009 12.415 5.696 1.00 1.00 N ATOM 825 CA PRO A 55 77.837 11.585 4.472 1.00 1.00 C ATOM 826 C PRO A 55 76.417 11.683 3.907 1.00 1.00 C ATOM 827 O PRO A 55 75.477 11.153 4.466 1.00 1.00 O ATOM 828 CB PRO A 55 78.132 10.166 4.962 1.00 1.00 C ATOM 829 CG PRO A 55 77.757 10.167 6.408 1.00 1.00 C ATOM 830 CD PRO A 55 77.938 11.600 6.920 1.00 1.00 C ATOM 0 HA PRO A 55 78.488 11.907 3.659 1.00 1.00 H new ATOM 0 HB2 PRO A 55 77.554 9.429 4.405 1.00 1.00 H new ATOM 0 HB3 PRO A 55 79.184 9.913 4.828 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.726 9.839 6.539 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.385 9.475 6.969 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.105 11.905 7.553 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.845 11.698 7.517 1.00 1.00 H new ATOM 838 N GLY A 56 76.254 12.361 2.804 1.00 1.00 N ATOM 839 CA GLY A 56 74.895 12.499 2.205 1.00 1.00 C ATOM 840 C GLY A 56 74.194 13.714 2.814 1.00 1.00 C ATOM 841 O GLY A 56 72.984 13.823 2.787 1.00 1.00 O ATOM 0 H GLY A 56 77.003 12.826 2.291 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.972 12.613 1.124 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.311 11.598 2.389 1.00 1.00 H new ATOM 845 N MET A 57 74.945 14.629 3.365 1.00 1.00 N ATOM 846 CA MET A 57 74.325 15.837 3.977 1.00 1.00 C ATOM 847 C MET A 57 73.330 15.407 5.057 1.00 1.00 C ATOM 848 O MET A 57 72.406 16.125 5.384 1.00 1.00 O ATOM 849 CB MET A 57 73.592 16.639 2.898 1.00 1.00 C ATOM 850 CG MET A 57 74.471 16.741 1.650 1.00 1.00 C ATOM 851 SD MET A 57 73.832 18.042 0.566 1.00 1.00 S ATOM 852 CE MET A 57 74.095 17.180 -1.003 1.00 1.00 C ATOM 0 H MET A 57 75.963 14.591 3.417 1.00 1.00 H new ATOM 0 HA MET A 57 75.102 16.457 4.424 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.646 16.156 2.651 1.00 1.00 H new ATOM 0 HB3 MET A 57 73.354 17.635 3.270 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.500 16.962 1.934 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.484 15.787 1.122 1.00 1.00 H new ATOM 0 HE1 MET A 57 73.763 17.813 -1.826 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.155 16.956 -1.122 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.525 16.251 -1.008 1.00 1.00 H new ATOM 862 N GLU A 58 73.511 14.241 5.614 1.00 1.00 N ATOM 863 CA GLU A 58 72.575 13.768 6.672 1.00 1.00 C ATOM 864 C GLU A 58 71.133 13.950 6.194 1.00 1.00 C ATOM 865 O GLU A 58 70.462 14.895 6.559 1.00 1.00 O ATOM 866 CB GLU A 58 72.796 14.581 7.949 1.00 1.00 C ATOM 867 CG GLU A 58 72.029 13.935 9.105 1.00 1.00 C ATOM 868 CD GLU A 58 72.413 14.620 10.418 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.471 14.308 10.939 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.642 15.445 10.880 1.00 1.00 O ATOM 0 H GLU A 58 74.266 13.596 5.382 1.00 1.00 H new ATOM 0 HA GLU A 58 72.760 12.713 6.877 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.859 14.626 8.184 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.458 15.607 7.803 1.00 1.00 H new ATOM 0 HG2 GLU A 58 70.956 14.023 8.937 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.258 12.871 9.157 1.00 1.00 H new ATOM 877 N GLY A 59 70.652 13.052 5.378 1.00 1.00 N ATOM 878 CA GLY A 59 69.255 13.174 4.876 1.00 1.00 C ATOM 879 C GLY A 59 68.892 11.924 4.073 1.00 1.00 C ATOM 880 O GLY A 59 69.346 10.836 4.363 1.00 1.00 O ATOM 0 H GLY A 59 71.166 12.240 5.038 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.566 13.295 5.712 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.158 14.062 4.251 1.00 1.00 H new ATOM 884 N CYS A 60 68.075 12.070 3.065 1.00 1.00 N ATOM 885 CA CYS A 60 67.686 10.887 2.247 1.00 1.00 C ATOM 886 C CYS A 60 67.243 9.751 3.172 1.00 1.00 C ATOM 887 O CYS A 60 67.092 8.620 2.755 1.00 1.00 O ATOM 888 CB CYS A 60 68.884 10.427 1.414 1.00 1.00 C ATOM 889 SG CYS A 60 68.359 9.127 0.269 1.00 1.00 S ATOM 0 H CYS A 60 67.661 12.956 2.774 1.00 1.00 H new ATOM 0 HA CYS A 60 66.864 11.158 1.584 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.300 11.268 0.860 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.673 10.054 2.067 1.00 1.00 H new ATOM 894 N GLY A 61 67.034 10.045 4.427 1.00 1.00 N ATOM 895 CA GLY A 61 66.601 8.984 5.380 1.00 1.00 C ATOM 896 C GLY A 61 66.905 9.432 6.810 1.00 1.00 C ATOM 897 O GLY A 61 66.179 9.124 7.733 1.00 1.00 O ATOM 0 H GLY A 61 67.145 10.974 4.833 1.00 1.00 H new ATOM 0 HA2 GLY A 61 65.534 8.791 5.267 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.119 8.050 5.162 1.00 1.00 H new ATOM 901 N THR A 62 67.973 10.160 6.998 1.00 1.00 N ATOM 902 CA THR A 62 68.332 10.635 8.367 1.00 1.00 C ATOM 903 C THR A 62 68.739 9.441 9.233 1.00 1.00 C ATOM 904 O THR A 62 69.717 9.490 9.952 1.00 1.00 O ATOM 905 CB THR A 62 67.132 11.345 9.006 1.00 1.00 C ATOM 906 OG1 THR A 62 66.314 10.388 9.664 1.00 1.00 O ATOM 907 CG2 THR A 62 66.320 12.055 7.922 1.00 1.00 C ATOM 0 H THR A 62 68.615 10.448 6.260 1.00 1.00 H new ATOM 0 HA THR A 62 69.165 11.334 8.295 1.00 1.00 H new ATOM 0 HB THR A 62 67.486 12.079 9.729 1.00 1.00 H new ATOM 0 HG1 THR A 62 65.776 9.906 9.001 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.468 12.559 8.377 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.949 12.789 7.418 1.00 1.00 H new ATOM 0 HG23 THR A 62 65.964 11.324 7.197 1.00 1.00 H new ATOM 915 N ASP A 63 67.998 8.370 9.171 1.00 1.00 N ATOM 916 CA ASP A 63 68.347 7.178 9.991 1.00 1.00 C ATOM 917 C ASP A 63 69.812 6.808 9.750 1.00 1.00 C ATOM 918 O ASP A 63 70.438 6.153 10.560 1.00 1.00 O ATOM 919 CB ASP A 63 67.447 6.005 9.596 1.00 1.00 C ATOM 920 CG ASP A 63 67.789 5.553 8.175 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.304 6.365 7.424 1.00 1.00 O ATOM 922 OD2 ASP A 63 67.531 4.402 7.862 1.00 1.00 O ATOM 0 H ASP A 63 67.167 8.269 8.588 1.00 1.00 H new ATOM 0 HA ASP A 63 68.200 7.405 11.047 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.582 5.179 10.294 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.400 6.302 9.652 1.00 1.00 H new ATOM 927 N ILE A 64 70.365 7.226 8.643 1.00 1.00 N ATOM 928 CA ILE A 64 71.793 6.901 8.354 1.00 1.00 C ATOM 929 C ILE A 64 72.677 8.027 8.883 1.00 1.00 C ATOM 930 O ILE A 64 73.654 8.410 8.273 1.00 1.00 O ATOM 931 CB ILE A 64 71.990 6.743 6.844 1.00 1.00 C ATOM 932 CG1 ILE A 64 73.485 6.631 6.535 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.411 7.962 6.123 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.697 5.637 5.392 1.00 1.00 C ATOM 0 H ILE A 64 69.891 7.777 7.927 1.00 1.00 H new ATOM 0 HA ILE A 64 72.066 5.966 8.843 1.00 1.00 H new ATOM 0 HB ILE A 64 71.479 5.843 6.503 1.00 1.00 H new ATOM 0 HG12 ILE A 64 73.885 7.607 6.261 1.00 1.00 H new ATOM 0 HG13 ILE A 64 74.027 6.303 7.422 1.00 1.00 H new ATOM 0 HG21 ILE A 64 71.551 7.849 5.048 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.347 8.044 6.343 1.00 1.00 H new ATOM 0 HG23 ILE A 64 71.922 8.863 6.463 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.762 5.557 5.172 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.313 4.660 5.684 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.168 5.985 4.505 1.00 1.00 H new ATOM 946 N THR A 65 72.352 8.553 10.026 1.00 1.00 N ATOM 947 CA THR A 65 73.194 9.644 10.594 1.00 1.00 C ATOM 948 C THR A 65 74.646 9.174 10.565 1.00 1.00 C ATOM 949 O THR A 65 75.563 9.938 10.343 1.00 1.00 O ATOM 950 CB THR A 65 72.770 9.929 12.037 1.00 1.00 C ATOM 951 OG1 THR A 65 71.355 10.030 12.101 1.00 1.00 O ATOM 952 CG2 THR A 65 73.399 11.242 12.506 1.00 1.00 C ATOM 0 H THR A 65 71.547 8.280 10.590 1.00 1.00 H new ATOM 0 HA THR A 65 73.077 10.559 10.013 1.00 1.00 H new ATOM 0 HB THR A 65 73.107 9.117 12.682 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.979 9.938 11.200 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.096 11.444 13.534 1.00 1.00 H new ATOM 0 HG22 THR A 65 74.485 11.163 12.456 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.064 12.056 11.863 1.00 1.00 H new ATOM 960 N VAL A 66 74.841 7.902 10.771 1.00 1.00 N ATOM 961 CA VAL A 66 76.208 7.317 10.748 1.00 1.00 C ATOM 962 C VAL A 66 76.061 5.797 10.627 1.00 1.00 C ATOM 963 O VAL A 66 76.856 5.128 9.996 1.00 1.00 O ATOM 964 CB VAL A 66 76.950 7.666 12.051 1.00 1.00 C ATOM 965 CG1 VAL A 66 77.735 8.965 11.861 1.00 1.00 C ATOM 966 CG2 VAL A 66 75.935 7.847 13.181 1.00 1.00 C ATOM 0 H VAL A 66 74.095 7.231 10.958 1.00 1.00 H new ATOM 0 HA VAL A 66 76.779 7.716 9.910 1.00 1.00 H new ATOM 0 HB VAL A 66 77.638 6.859 12.303 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.260 9.211 12.784 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.458 8.839 11.055 1.00 1.00 H new ATOM 0 HG13 VAL A 66 77.047 9.772 11.608 1.00 1.00 H new ATOM 0 HG21 VAL A 66 76.459 8.094 14.104 1.00 1.00 H new ATOM 0 HG22 VAL A 66 75.247 8.654 12.927 1.00 1.00 H new ATOM 0 HG23 VAL A 66 75.374 6.922 13.318 1.00 1.00 H new ATOM 976 N ILE A 67 75.026 5.258 11.218 1.00 1.00 N ATOM 977 CA ILE A 67 74.777 3.789 11.142 1.00 1.00 C ATOM 978 C ILE A 67 73.286 3.561 10.899 1.00 1.00 C ATOM 979 O ILE A 67 72.488 3.619 11.814 1.00 1.00 O ATOM 980 CB ILE A 67 75.184 3.113 12.458 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.705 3.182 12.616 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.741 1.649 12.439 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.077 4.411 13.447 1.00 1.00 C ATOM 0 H ILE A 67 74.335 5.781 11.756 1.00 1.00 H new ATOM 0 HA ILE A 67 75.366 3.361 10.330 1.00 1.00 H new ATOM 0 HB ILE A 67 74.706 3.626 13.293 1.00 1.00 H new ATOM 0 HG12 ILE A 67 77.072 2.277 13.101 1.00 1.00 H new ATOM 0 HG13 ILE A 67 77.181 3.234 11.637 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.030 1.169 13.374 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.658 1.598 12.325 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.218 1.135 11.605 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.160 4.460 13.559 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.723 5.311 12.944 1.00 1.00 H new ATOM 0 HD13 ILE A 67 76.613 4.339 14.431 1.00 1.00 H new ATOM 995 N CYS A 68 72.893 3.305 9.686 1.00 1.00 N ATOM 996 CA CYS A 68 71.446 3.082 9.418 1.00 1.00 C ATOM 997 C CYS A 68 70.995 1.799 10.127 1.00 1.00 C ATOM 998 O CYS A 68 71.739 0.844 10.224 1.00 1.00 O ATOM 999 CB CYS A 68 71.224 2.950 7.908 1.00 1.00 C ATOM 1000 SG CYS A 68 72.708 2.257 7.138 1.00 1.00 S ATOM 0 H CYS A 68 73.505 3.240 8.872 1.00 1.00 H new ATOM 0 HA CYS A 68 70.865 3.925 9.792 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.365 2.308 7.711 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.999 3.925 7.476 1.00 1.00 H new ATOM 1005 N PRO A 69 69.786 1.778 10.637 1.00 1.00 N ATOM 1006 CA PRO A 69 69.242 0.593 11.367 1.00 1.00 C ATOM 1007 C PRO A 69 69.092 -0.639 10.466 1.00 1.00 C ATOM 1008 O PRO A 69 69.654 -1.682 10.736 1.00 1.00 O ATOM 1009 CB PRO A 69 67.873 1.061 11.881 1.00 1.00 C ATOM 1010 CG PRO A 69 67.502 2.230 11.029 1.00 1.00 C ATOM 1011 CD PRO A 69 68.810 2.877 10.571 1.00 1.00 C ATOM 0 HA PRO A 69 69.915 0.276 12.164 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.131 0.266 11.800 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.925 1.343 12.933 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.908 1.911 10.173 1.00 1.00 H new ATOM 0 HG3 PRO A 69 66.895 2.940 11.591 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.726 3.278 9.561 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.095 3.705 11.220 1.00 1.00 H new ATOM 1019 N TRP A 70 68.343 -0.534 9.402 1.00 1.00 N ATOM 1020 CA TRP A 70 68.173 -1.710 8.503 1.00 1.00 C ATOM 1021 C TRP A 70 69.497 -1.988 7.782 1.00 1.00 C ATOM 1022 O TRP A 70 69.523 -2.335 6.618 1.00 1.00 O ATOM 1023 CB TRP A 70 67.062 -1.431 7.478 1.00 1.00 C ATOM 1024 CG TRP A 70 66.983 0.038 7.214 1.00 1.00 C ATOM 1025 CD1 TRP A 70 66.245 0.918 7.930 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.651 0.814 6.176 1.00 1.00 C ATOM 1027 NE1 TRP A 70 66.417 2.183 7.399 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.273 2.172 6.316 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.536 0.476 5.138 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.760 3.159 5.455 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.027 1.464 4.271 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.640 2.802 4.429 1.00 1.00 C ATOM 0 H TRP A 70 67.845 0.309 9.118 1.00 1.00 H new ATOM 0 HA TRP A 70 67.891 -2.582 9.093 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.265 -1.967 6.551 1.00 1.00 H new ATOM 0 HB3 TRP A 70 66.106 -1.795 7.854 1.00 1.00 H new ATOM 0 HD1 TRP A 70 65.623 0.672 8.778 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.966 3.022 7.763 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.840 -0.552 5.007 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.459 4.189 5.581 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.707 1.192 3.477 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.022 3.557 3.758 1.00 1.00 H new ATOM 1043 N GLU A 71 70.597 -1.837 8.469 1.00 1.00 N ATOM 1044 CA GLU A 71 71.920 -2.090 7.833 1.00 1.00 C ATOM 1045 C GLU A 71 73.025 -1.798 8.854 1.00 1.00 C ATOM 1046 O GLU A 71 73.750 -0.828 8.748 1.00 1.00 O ATOM 1047 CB GLU A 71 72.072 -1.179 6.604 1.00 1.00 C ATOM 1048 CG GLU A 71 72.212 -2.039 5.346 1.00 1.00 C ATOM 1049 CD GLU A 71 73.547 -2.786 5.384 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.099 -2.917 6.464 1.00 1.00 O ATOM 1051 OE2 GLU A 71 73.993 -3.215 4.333 1.00 1.00 O ATOM 0 H GLU A 71 70.635 -1.548 9.447 1.00 1.00 H new ATOM 0 HA GLU A 71 71.994 -3.129 7.513 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.206 -0.523 6.515 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.946 -0.538 6.719 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.387 -2.749 5.285 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.159 -1.412 4.456 1.00 1.00 H new ATOM 1058 N ALA A 72 73.154 -2.630 9.849 1.00 1.00 N ATOM 1059 CA ALA A 72 74.204 -2.402 10.880 1.00 1.00 C ATOM 1060 C ALA A 72 75.566 -2.825 10.327 1.00 1.00 C ATOM 1061 O ALA A 72 76.187 -3.747 10.818 1.00 1.00 O ATOM 1062 CB ALA A 72 73.878 -3.225 12.129 1.00 1.00 C ATOM 0 H ALA A 72 72.577 -3.459 9.993 1.00 1.00 H new ATOM 0 HA ALA A 72 74.234 -1.344 11.140 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.646 -3.059 12.885 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.909 -2.920 12.523 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.847 -4.283 11.870 1.00 1.00 H new ATOM 1068 N CYS A 73 76.039 -2.158 9.309 1.00 1.00 N ATOM 1069 CA CYS A 73 77.362 -2.523 8.730 1.00 1.00 C ATOM 1070 C CYS A 73 78.403 -2.598 9.849 1.00 1.00 C ATOM 1071 O CYS A 73 79.301 -3.415 9.821 1.00 1.00 O ATOM 1072 CB CYS A 73 77.783 -1.461 7.711 1.00 1.00 C ATOM 1073 SG CYS A 73 76.655 -1.502 6.296 1.00 1.00 S ATOM 0 H CYS A 73 75.566 -1.377 8.854 1.00 1.00 H new ATOM 0 HA CYS A 73 77.289 -3.492 8.235 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.769 -0.473 8.172 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.805 -1.644 7.380 1.00 1.00 H new ATOM 1078 N ASN A 74 78.284 -1.751 10.835 1.00 1.00 N ATOM 1079 CA ASN A 74 79.261 -1.771 11.961 1.00 1.00 C ATOM 1080 C ASN A 74 80.687 -1.827 11.408 1.00 1.00 C ATOM 1081 O ASN A 74 81.484 -2.655 11.802 1.00 1.00 O ATOM 1082 CB ASN A 74 79.006 -3.001 12.835 1.00 1.00 C ATOM 1083 CG ASN A 74 77.671 -2.841 13.566 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.814 -2.096 13.133 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.458 -3.513 14.664 1.00 1.00 N ATOM 0 H ASN A 74 77.551 -1.045 10.910 1.00 1.00 H new ATOM 0 HA ASN A 74 79.141 -0.867 12.557 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.990 -3.900 12.219 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.815 -3.122 13.556 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.572 -3.413 15.159 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.178 -4.138 15.027 1.00 1.00 H new ATOM 1092 N HIS A 75 81.017 -0.951 10.499 1.00 1.00 N ATOM 1093 CA HIS A 75 82.393 -0.955 9.927 1.00 1.00 C ATOM 1094 C HIS A 75 82.682 -2.321 9.300 1.00 1.00 C ATOM 1095 O HIS A 75 83.687 -2.942 9.581 1.00 1.00 O ATOM 1096 CB HIS A 75 83.407 -0.678 11.042 1.00 1.00 C ATOM 1097 CG HIS A 75 84.699 -0.201 10.439 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.024 -0.430 9.110 1.00 1.00 N ATOM 1099 CD2 HIS A 75 85.759 0.494 10.970 1.00 1.00 C ATOM 1100 CE1 HIS A 75 86.232 0.117 8.885 1.00 1.00 C ATOM 1101 NE2 HIS A 75 86.723 0.691 9.985 1.00 1.00 N ATOM 0 H HIS A 75 80.394 -0.233 10.128 1.00 1.00 H new ATOM 0 HA HIS A 75 82.472 -0.182 9.162 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.014 0.073 11.727 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.578 -1.583 11.625 1.00 1.00 H new ATOM 0 HD2 HIS A 75 85.833 0.834 11.992 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.741 0.094 7.933 1.00 1.00 H new ATOM 0 HE2 HIS A 75 87.617 1.173 10.083 1.00 1.00 H new ATOM 1110 N CYS A 76 81.807 -2.791 8.451 1.00 1.00 N ATOM 1111 CA CYS A 76 82.026 -4.116 7.803 1.00 1.00 C ATOM 1112 C CYS A 76 82.140 -5.201 8.876 1.00 1.00 C ATOM 1113 O CYS A 76 83.024 -5.173 9.710 1.00 1.00 O ATOM 1114 CB CYS A 76 83.314 -4.075 6.977 1.00 1.00 C ATOM 1115 SG CYS A 76 83.349 -2.560 5.988 1.00 1.00 S ATOM 0 H CYS A 76 80.948 -2.313 8.178 1.00 1.00 H new ATOM 0 HA CYS A 76 81.183 -4.342 7.150 1.00 1.00 H new ATOM 0 HB2 CYS A 76 84.182 -4.112 7.635 1.00 1.00 H new ATOM 0 HB3 CYS A 76 83.369 -4.948 6.327 1.00 1.00 H new ATOM 1120 N GLU A 77 81.254 -6.159 8.860 1.00 1.00 N ATOM 1121 CA GLU A 77 81.312 -7.246 9.878 1.00 1.00 C ATOM 1122 C GLU A 77 82.509 -8.159 9.575 1.00 1.00 C ATOM 1123 O GLU A 77 83.569 -8.011 10.149 1.00 1.00 O ATOM 1124 CB GLU A 77 80.006 -8.048 9.838 1.00 1.00 C ATOM 1125 CG GLU A 77 79.810 -8.777 11.169 1.00 1.00 C ATOM 1126 CD GLU A 77 78.811 -9.921 10.983 1.00 1.00 C ATOM 1127 OE1 GLU A 77 78.718 -10.425 9.876 1.00 1.00 O ATOM 1128 OE2 GLU A 77 78.157 -10.273 11.950 1.00 1.00 O ATOM 0 H GLU A 77 80.492 -6.236 8.186 1.00 1.00 H new ATOM 0 HA GLU A 77 81.434 -6.819 10.874 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.164 -7.382 9.649 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.034 -8.767 9.019 1.00 1.00 H new ATOM 0 HG2 GLU A 77 80.763 -9.167 11.526 1.00 1.00 H new ATOM 0 HG3 GLU A 77 79.446 -8.082 11.926 1.00 1.00 H new ATOM 1135 N LEU A 78 82.358 -9.093 8.671 1.00 1.00 N ATOM 1136 CA LEU A 78 83.502 -9.992 8.334 1.00 1.00 C ATOM 1137 C LEU A 78 83.327 -10.543 6.916 1.00 1.00 C ATOM 1138 O LEU A 78 84.058 -11.411 6.483 1.00 1.00 O ATOM 1139 CB LEU A 78 83.612 -11.136 9.362 1.00 1.00 C ATOM 1140 CG LEU A 78 82.439 -12.104 9.200 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.148 -11.312 8.987 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.687 -13.006 7.989 1.00 1.00 C ATOM 0 H LEU A 78 81.497 -9.271 8.154 1.00 1.00 H new ATOM 0 HA LEU A 78 84.429 -9.419 8.373 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.554 -11.668 9.226 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.619 -10.728 10.373 1.00 1.00 H new ATOM 0 HG LEU A 78 82.347 -12.715 10.098 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.312 -12.002 8.872 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.970 -10.668 9.848 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.240 -10.701 8.089 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.852 -13.696 7.872 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.779 -12.394 7.092 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.607 -13.571 8.139 1.00 1.00 H new ATOM 1154 N HIS A 79 82.375 -10.025 6.183 1.00 1.00 N ATOM 1155 CA HIS A 79 82.153 -10.489 4.778 1.00 1.00 C ATOM 1156 C HIS A 79 81.413 -11.831 4.764 1.00 1.00 C ATOM 1157 O HIS A 79 82.007 -12.881 4.904 1.00 1.00 O ATOM 1158 CB HIS A 79 83.505 -10.640 4.067 1.00 1.00 C ATOM 1159 CG HIS A 79 83.335 -10.351 2.601 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.243 -9.582 1.889 1.00 1.00 N ATOM 1161 CD2 HIS A 79 82.366 -10.721 1.699 1.00 1.00 C ATOM 1162 CE1 HIS A 79 83.809 -9.513 0.617 1.00 1.00 C ATOM 1163 NE2 HIS A 79 82.671 -10.189 0.450 1.00 1.00 N ATOM 0 H HIS A 79 81.737 -9.295 6.499 1.00 1.00 H new ATOM 0 HA HIS A 79 81.544 -9.749 4.258 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.235 -9.957 4.501 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.891 -11.650 4.207 1.00 1.00 H new ATOM 0 HD2 HIS A 79 81.503 -11.330 1.925 1.00 1.00 H new ATOM 0 HE1 HIS A 79 84.318 -8.977 -0.170 1.00 1.00 H new ATOM 0 HE2 HIS A 79 82.137 -10.294 -0.412 1.00 1.00 H new ATOM 1172 N GLU A 80 80.118 -11.800 4.575 1.00 1.00 N ATOM 1173 CA GLU A 80 79.328 -13.068 4.530 1.00 1.00 C ATOM 1174 C GLU A 80 78.614 -13.164 3.180 1.00 1.00 C ATOM 1175 O GLU A 80 79.103 -13.775 2.251 1.00 1.00 O ATOM 1176 CB GLU A 80 78.290 -13.065 5.654 1.00 1.00 C ATOM 1177 CG GLU A 80 78.991 -13.281 6.997 1.00 1.00 C ATOM 1178 CD GLU A 80 79.397 -14.750 7.131 1.00 1.00 C ATOM 1179 OE1 GLU A 80 78.529 -15.560 7.411 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.568 -15.039 6.951 1.00 1.00 O ATOM 0 H GLU A 80 79.572 -10.948 4.449 1.00 1.00 H new ATOM 0 HA GLU A 80 79.995 -13.920 4.657 1.00 1.00 H new ATOM 0 HB2 GLU A 80 77.750 -12.118 5.662 1.00 1.00 H new ATOM 0 HB3 GLU A 80 77.554 -13.851 5.486 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.871 -12.642 7.067 1.00 1.00 H new ATOM 0 HG3 GLU A 80 78.327 -13.000 7.815 1.00 1.00 H new ATOM 1187 N LEU A 81 77.462 -12.560 3.063 1.00 1.00 N ATOM 1188 CA LEU A 81 76.718 -12.610 1.771 1.00 1.00 C ATOM 1189 C LEU A 81 77.128 -11.416 0.908 1.00 1.00 C ATOM 1190 O LEU A 81 76.731 -11.296 -0.234 1.00 1.00 O ATOM 1191 CB LEU A 81 75.210 -12.551 2.040 1.00 1.00 C ATOM 1192 CG LEU A 81 74.919 -11.503 3.115 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.568 -10.842 2.833 1.00 1.00 C ATOM 1194 CD2 LEU A 81 74.877 -12.180 4.487 1.00 1.00 C ATOM 0 H LEU A 81 77.004 -12.034 3.807 1.00 1.00 H new ATOM 0 HA LEU A 81 76.954 -13.539 1.251 1.00 1.00 H new ATOM 0 HB2 LEU A 81 74.677 -12.303 1.122 1.00 1.00 H new ATOM 0 HB3 LEU A 81 74.850 -13.528 2.364 1.00 1.00 H new ATOM 0 HG LEU A 81 75.703 -10.746 3.105 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.361 -10.095 3.600 1.00 1.00 H new ATOM 0 HD12 LEU A 81 73.595 -10.361 1.855 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.784 -11.599 2.843 1.00 1.00 H new ATOM 0 HD21 LEU A 81 74.670 -11.434 5.254 1.00 1.00 H new ATOM 0 HD22 LEU A 81 74.093 -12.937 4.495 1.00 1.00 H new ATOM 0 HD23 LEU A 81 75.839 -12.652 4.690 1.00 1.00 H new ATOM 1206 N ALA A 82 77.921 -10.530 1.447 1.00 1.00 N ATOM 1207 CA ALA A 82 78.358 -9.342 0.662 1.00 1.00 C ATOM 1208 C ALA A 82 79.034 -9.800 -0.631 1.00 1.00 C ATOM 1209 O ALA A 82 79.118 -9.060 -1.592 1.00 1.00 O ATOM 1210 CB ALA A 82 79.348 -8.521 1.490 1.00 1.00 C ATOM 0 H ALA A 82 78.285 -10.578 2.399 1.00 1.00 H new ATOM 0 HA ALA A 82 77.489 -8.730 0.419 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.669 -7.651 0.916 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.867 -8.191 2.411 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.215 -9.135 1.734 1.00 1.00 H new ATOM 1216 N GLN A 83 79.516 -11.012 -0.667 1.00 1.00 N ATOM 1217 CA GLN A 83 80.184 -11.509 -1.902 1.00 1.00 C ATOM 1218 C GLN A 83 79.120 -11.871 -2.941 1.00 1.00 C ATOM 1219 O GLN A 83 77.946 -11.626 -2.750 1.00 1.00 O ATOM 1220 CB GLN A 83 81.030 -12.743 -1.569 1.00 1.00 C ATOM 1221 CG GLN A 83 80.146 -13.817 -0.932 1.00 1.00 C ATOM 1222 CD GLN A 83 80.848 -14.393 0.299 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.247 -13.660 1.183 1.00 1.00 O ATOM 1224 NE2 GLN A 83 81.018 -15.683 0.395 1.00 1.00 N ATOM 0 H GLN A 83 79.476 -11.678 0.104 1.00 1.00 H new ATOM 0 HA GLN A 83 80.833 -10.732 -2.305 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.496 -13.132 -2.475 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.836 -12.470 -0.888 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.184 -13.390 -0.648 1.00 1.00 H new ATOM 0 HG3 GLN A 83 79.943 -14.610 -1.652 1.00 1.00 H new ATOM 0 HE21 GLN A 83 80.683 -16.298 -0.347 1.00 1.00 H new ATOM 0 HE22 GLN A 83 81.486 -16.076 1.212 1.00 1.00 H new ATOM 1233 N TYR A 84 79.520 -12.441 -4.044 1.00 1.00 N ATOM 1234 CA TYR A 84 78.528 -12.804 -5.096 1.00 1.00 C ATOM 1235 C TYR A 84 77.671 -11.580 -5.422 1.00 1.00 C ATOM 1236 O TYR A 84 78.013 -10.776 -6.266 1.00 1.00 O ATOM 1237 CB TYR A 84 77.624 -13.939 -4.598 1.00 1.00 C ATOM 1238 CG TYR A 84 78.356 -15.255 -4.707 1.00 1.00 C ATOM 1239 CD1 TYR A 84 78.800 -15.708 -5.955 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.592 -16.022 -3.560 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.479 -16.928 -6.056 1.00 1.00 C ATOM 1242 CE2 TYR A 84 79.271 -17.242 -3.661 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.715 -17.695 -4.909 1.00 1.00 C ATOM 1244 OH TYR A 84 80.384 -18.898 -5.009 1.00 1.00 O ATOM 0 H TYR A 84 80.489 -12.671 -4.263 1.00 1.00 H new ATOM 0 HA TYR A 84 79.057 -13.136 -5.989 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.333 -13.758 -3.563 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.707 -13.972 -5.186 1.00 1.00 H new ATOM 0 HD1 TYR A 84 78.619 -15.116 -6.840 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.250 -15.672 -2.597 1.00 1.00 H new ATOM 0 HE1 TYR A 84 79.821 -17.278 -7.019 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.452 -17.834 -2.776 1.00 1.00 H new ATOM 0 HH TYR A 84 80.465 -19.302 -4.120 1.00 1.00 H new ATOM 1254 N GLY A 85 76.555 -11.436 -4.756 1.00 1.00 N ATOM 1255 CA GLY A 85 75.663 -10.269 -5.019 1.00 1.00 C ATOM 1256 C GLY A 85 74.219 -10.757 -5.142 1.00 1.00 C ATOM 1257 O GLY A 85 73.761 -11.107 -6.211 1.00 1.00 O ATOM 0 H GLY A 85 76.222 -12.080 -4.038 1.00 1.00 H new ATOM 0 HA2 GLY A 85 75.746 -9.543 -4.210 1.00 1.00 H new ATOM 0 HA3 GLY A 85 75.968 -9.762 -5.935 1.00 1.00 H new ATOM 1261 N ILE A 86 73.496 -10.787 -4.054 1.00 1.00 N ATOM 1262 CA ILE A 86 72.083 -11.258 -4.113 1.00 1.00 C ATOM 1263 C ILE A 86 71.303 -10.400 -5.111 1.00 1.00 C ATOM 1264 O ILE A 86 70.134 -10.624 -5.357 1.00 1.00 O ATOM 1265 CB ILE A 86 71.440 -11.144 -2.726 1.00 1.00 C ATOM 1266 CG1 ILE A 86 72.455 -11.561 -1.659 1.00 1.00 C ATOM 1267 CG2 ILE A 86 70.219 -12.062 -2.652 1.00 1.00 C ATOM 1268 CD1 ILE A 86 73.045 -12.925 -2.021 1.00 1.00 C ATOM 0 H ILE A 86 73.823 -10.506 -3.129 1.00 1.00 H new ATOM 0 HA ILE A 86 72.063 -12.300 -4.433 1.00 1.00 H new ATOM 0 HB ILE A 86 71.131 -10.113 -2.553 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.249 -10.817 -1.587 1.00 1.00 H new ATOM 0 HG13 ILE A 86 71.973 -11.609 -0.683 1.00 1.00 H new ATOM 0 HG21 ILE A 86 69.762 -11.981 -1.666 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.496 -11.767 -3.412 1.00 1.00 H new ATOM 0 HG23 ILE A 86 70.528 -13.093 -2.825 1.00 1.00 H new ATOM 0 HD11 ILE A 86 73.768 -13.222 -1.261 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.246 -13.665 -2.071 1.00 1.00 H new ATOM 0 HD13 ILE A 86 73.542 -12.861 -2.989 1.00 1.00 H new ATOM 1280 N CYS A 87 71.940 -9.418 -5.689 1.00 1.00 N ATOM 1281 CA CYS A 87 71.234 -8.547 -6.671 1.00 1.00 C ATOM 1282 C CYS A 87 71.184 -9.250 -8.029 1.00 1.00 C ATOM 1283 CB CYS A 87 71.985 -7.220 -6.807 1.00 1.00 C ATOM 1284 SG CYS A 87 71.452 -6.089 -5.498 1.00 1.00 S ATOM 0 H CYS A 87 72.918 -9.181 -5.524 1.00 1.00 H new ATOM 0 HA CYS A 87 70.219 -8.354 -6.325 1.00 1.00 H new ATOM 0 HB2 CYS A 87 73.060 -7.389 -6.741 1.00 1.00 H new ATOM 0 HB3 CYS A 87 71.792 -6.779 -7.785 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.114 -17.084 15.455 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.696 -15.316 15.433 1.00 1.00 O HETATM 1292 O1H RCY A 110 62.328 -14.701 10.955 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.061 -20.056 14.969 1.00 1.00 O HETATM 1294 C1L RCY A 110 63.902 -13.454 13.859 1.00 1.00 C HETATM 1295 C1M RCY A 110 63.002 -17.974 12.399 1.00 1.00 C HETATM 1296 C1P RCY A 110 63.509 -14.869 14.302 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.982 -14.684 11.996 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.857 -15.653 13.165 1.00 1.00 N HETATM 1299 C1S RCY A 110 64.070 -13.688 12.354 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.235 -17.051 13.184 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.591 -17.587 15.254 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.899 -19.120 14.225 1.00 1.00 N HETATM 1303 C1W RCY A 110 62.649 -19.374 12.919 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.221 -17.675 14.579 1.00 1.00 C HETATM 1305 C1Y RCY A 110 63.919 -20.188 13.179 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.726 -20.110 11.947 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.803 -19.544 11.822 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 62.222 -20.213 10.982 1.00 1.00 H new HETATM 0 H1YB RCY A 110 64.483 -20.288 12.252 1.00 1.00 H new HETATM 0 H1YA RCY A 110 64.531 -19.679 13.923 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.833 -16.543 15.451 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.569 -18.138 16.194 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.760 -17.879 11.340 1.00 1.00 H new HETATM 0 H1LA RCY A 110 63.131 -12.717 14.083 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.269 -16.010 15.562 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.145 -17.266 14.989 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.494 -21.099 12.343 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.648 -21.177 13.547 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.348 -18.018 14.598 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.225 -16.901 12.802 1.00 1.00 H new HETATM 0 H1S RCY A 110 65.060 -14.082 12.122 1.00 1.00 H new HETATM 0 H1M RCY A 110 64.069 -17.779 12.501 1.00 1.00 H new HETATM 0 H1L RCY A 110 64.821 -13.108 14.333 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.138 -17.554 16.438 1.00 1.00 H new HETATM 1309 C1C RCY A 121 57.294 -5.218 -2.994 1.00 1.00 C HETATM 1310 O1G RCY A 121 57.974 -6.843 -6.047 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.124 -2.640 -6.135 1.00 1.00 O HETATM 1312 O1J RCY A 121 54.503 -4.115 -2.736 1.00 1.00 O HETATM 1313 C1L RCY A 121 60.134 -6.084 -6.911 1.00 1.00 C HETATM 1314 C1M RCY A 121 56.301 -3.366 -6.040 1.00 1.00 C HETATM 1315 C1P RCY A 121 58.759 -5.918 -6.251 1.00 1.00 C HETATM 1316 C1Q RCY A 121 59.707 -3.753 -6.451 1.00 1.00 C HETATM 1317 N1R RCY A 121 58.485 -4.462 -5.881 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.319 -4.677 -7.488 1.00 1.00 C HETATM 1319 C1U RCY A 121 57.295 -3.860 -5.131 1.00 1.00 C HETATM 1320 C1V RCY A 121 56.210 -6.147 -5.089 1.00 1.00 C HETATM 1321 N1V RCY A 121 55.274 -4.108 -3.976 1.00 1.00 N HETATM 1322 C1W RCY A 121 54.987 -3.317 -5.250 1.00 1.00 C HETATM 1323 C1X RCY A 121 56.544 -4.888 -4.286 1.00 1.00 C HETATM 1324 C1Y RCY A 121 53.856 -3.975 -6.046 1.00 1.00 C HETATM 1325 C1Z RCY A 121 54.618 -1.881 -4.875 1.00 1.00 C HETATM 0 H1ZB RCY A 121 55.409 -1.451 -4.260 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 54.500 -1.287 -5.781 1.00 1.00 H new HETATM 0 H1YB RCY A 121 53.721 -3.447 -6.990 1.00 1.00 H new HETATM 0 H1YA RCY A 121 54.110 -5.016 -6.246 1.00 1.00 H new HETATM 0 H1VB RCY A 121 57.132 -6.666 -5.353 1.00 1.00 H new HETATM 0 H1VA RCY A 121 55.582 -6.805 -4.489 1.00 1.00 H new HETATM 0 H1MA RCY A 121 56.570 -2.377 -6.411 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.912 -6.347 -6.194 1.00 1.00 H new HETATM 0 H1CB RCY A 121 58.275 -5.626 -3.237 1.00 1.00 H new HETATM 0 H1CA RCY A 121 57.415 -4.311 -2.402 1.00 1.00 H new HETATM 0 H1Z RCY A 121 53.682 -1.880 -4.316 1.00 1.00 H new HETATM 0 H1Y RCY A 121 52.932 -3.931 -5.470 1.00 1.00 H new HETATM 0 H1V RCY A 121 55.678 -5.868 -5.998 1.00 1.00 H new HETATM 0 H1U RCY A 121 57.735 -3.078 -4.513 1.00 1.00 H new HETATM 0 H1S RCY A 121 59.821 -4.576 -8.452 1.00 1.00 H new HETATM 0 H1M RCY A 121 56.209 -4.018 -6.909 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.137 -6.855 -7.682 1.00 1.00 H new HETATM 0 H1C RCY A 121 56.727 -5.952 -2.422 1.00 1.00 H new HETATM 1328 C1C RCY A 130 68.328 13.112 -9.842 1.00 1.00 C HETATM 1329 O1G RCY A 130 69.297 9.556 -10.206 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.534 12.294 -13.336 1.00 1.00 O HETATM 1331 O1J RCY A 130 65.502 13.590 -10.765 1.00 1.00 O HETATM 1332 C1L RCY A 130 71.589 9.592 -11.063 1.00 1.00 C HETATM 1333 C1M RCY A 130 67.656 11.383 -13.044 1.00 1.00 C HETATM 1334 C1P RCY A 130 70.127 10.049 -10.968 1.00 1.00 C HETATM 1335 C1Q RCY A 130 71.148 11.320 -12.692 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.832 11.193 -11.936 1.00 1.00 N HETATM 1337 C1S RCY A 130 71.902 10.016 -12.502 1.00 1.00 C HETATM 1338 C1U RCY A 130 68.548 12.008 -12.110 1.00 1.00 C HETATM 1339 C1V RCY A 130 67.520 10.733 -10.180 1.00 1.00 C HETATM 1340 N1V RCY A 130 66.413 12.630 -11.382 1.00 1.00 N HETATM 1341 C1W RCY A 130 66.258 11.930 -12.731 1.00 1.00 C HETATM 1342 C1X RCY A 130 67.728 12.104 -10.825 1.00 1.00 C HETATM 1343 C1Y RCY A 130 65.243 10.788 -12.629 1.00 1.00 C HETATM 1344 C1Z RCY A 130 65.814 12.952 -13.778 1.00 1.00 C HETATM 0 H1ZB RCY A 130 66.516 13.785 -13.794 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 65.789 12.480 -14.760 1.00 1.00 H new HETATM 0 H1YB RCY A 130 65.207 10.248 -13.575 1.00 1.00 H new HETATM 0 H1YA RCY A 130 65.541 10.106 -11.833 1.00 1.00 H new HETATM 0 H1VB RCY A 130 68.478 10.344 -9.835 1.00 1.00 H new HETATM 0 H1VA RCY A 130 66.841 10.829 -9.333 1.00 1.00 H new HETATM 0 H1MA RCY A 130 67.943 11.613 -14.070 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.230 10.087 -10.333 1.00 1.00 H new HETATM 0 H1CB RCY A 130 69.341 12.806 -9.579 1.00 1.00 H new HETATM 0 H1CA RCY A 130 68.356 14.099 -10.304 1.00 1.00 H new HETATM 0 H1Z RCY A 130 64.819 13.321 -13.528 1.00 1.00 H new HETATM 0 H1Y RCY A 130 64.257 11.196 -12.406 1.00 1.00 H new HETATM 0 H1V RCY A 130 67.093 10.048 -10.912 1.00 1.00 H new HETATM 0 H1U RCY A 130 68.894 12.988 -12.439 1.00 1.00 H new HETATM 0 H1S RCY A 130 71.575 9.261 -13.217 1.00 1.00 H new HETATM 0 H1M RCY A 130 67.682 10.298 -12.941 1.00 1.00 H new HETATM 0 H1L RCY A 130 71.702 8.519 -10.910 1.00 1.00 H new HETATM 0 H1C RCY A 130 67.715 13.151 -8.941 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.014 -6.074 -5.845 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.357 -4.789 -5.857 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.314 -0.556 -6.312 1.00 1.00 O HETATM 1350 O1J RCY A 138 78.301 -6.612 -7.036 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.227 -2.502 -5.863 1.00 1.00 C HETATM 1352 C1M RCY A 138 79.540 -2.990 -7.262 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.144 -3.583 -5.974 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.099 -1.498 -6.408 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.769 -2.977 -6.248 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.583 -1.399 -6.711 1.00 1.00 C HETATM 1357 C1U RCY A 138 80.406 -3.666 -6.340 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.318 -5.143 -8.184 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.028 -5.355 -7.192 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.485 -4.017 -7.690 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.497 -5.087 -6.894 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.337 -4.034 -9.214 1.00 1.00 C HETATM 1363 C1Z RCY A 138 77.139 -3.743 -7.020 1.00 1.00 C HETATM 0 H1ZB RCY A 138 77.254 -3.795 -5.937 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 76.789 -2.749 -7.300 1.00 1.00 H new HETATM 0 H1YB RCY A 138 78.030 -3.047 -9.561 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.292 -4.298 -9.669 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.357 -4.895 -7.965 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.266 -6.147 -8.605 1.00 1.00 H new HETATM 0 H1MA RCY A 138 79.073 -2.124 -6.793 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.401 -2.189 -4.833 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.008 -5.770 -5.518 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.338 -6.083 -4.990 1.00 1.00 H new HETATM 0 H1Z RCY A 138 76.413 -4.488 -7.344 1.00 1.00 H new HETATM 0 H1Y RCY A 138 77.584 -4.769 -9.498 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.917 -4.427 -8.902 1.00 1.00 H new HETATM 0 H1U RCY A 138 80.031 -3.657 -5.317 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.781 -1.548 -7.772 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.098 -2.624 -8.123 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.187 -2.830 -6.263 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.064 -7.073 -6.279 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.360 9.305 -3.789 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.249 11.989 -0.076 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.068 10.767 -2.571 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.679 8.989 -2.454 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.484 11.216 0.553 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.912 12.592 -2.900 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.360 11.589 -0.422 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.180 10.794 -1.720 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.791 11.402 -1.875 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.267 10.226 -0.316 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.033 11.736 -3.162 1.00 1.00 C HETATM 1377 C1V RCY A 150 79.917 10.806 -5.236 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.231 10.269 -2.888 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.751 11.669 -2.510 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.411 10.505 -3.820 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.487 12.032 -3.294 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.485 11.717 -1.005 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.378 11.397 -0.467 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.231 12.736 -0.713 1.00 1.00 H new HETATM 0 H1YB RCY A 150 77.207 13.063 -3.076 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.678 11.926 -4.362 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.769 11.028 -5.879 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.384 9.940 -5.627 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.138 13.294 -2.097 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.083 12.077 0.848 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.277 9.552 -4.324 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.599 9.057 -2.755 1.00 1.00 H new HETATM 0 H1Z RCY A 150 77.657 11.052 -0.761 1.00 1.00 H new HETATM 0 H1Y RCY A 150 76.675 11.366 -3.003 1.00 1.00 H new HETATM 0 H1V RCY A 150 79.246 11.665 -5.212 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.783 12.198 -3.804 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.835 9.227 -0.266 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.660 13.184 -3.780 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.108 10.761 1.469 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.881 8.450 -4.266 1.00 1.00 H new HETATM 1385 C1C RCY A 160 64.627 6.921 -3.488 1.00 1.00 C HETATM 1386 O1G RCY A 160 65.464 12.264 -2.592 1.00 1.00 O HETATM 1387 O1H RCY A 160 66.372 7.756 -1.516 1.00 1.00 O HETATM 1388 O1J RCY A 160 62.764 7.192 -5.839 1.00 1.00 O HETATM 1389 C1L RCY A 160 67.147 11.185 -1.180 1.00 1.00 C HETATM 1390 C1M RCY A 160 63.817 10.471 -4.151 1.00 1.00 C HETATM 1391 C1P RCY A 160 65.924 11.232 -2.106 1.00 1.00 C HETATM 1392 C1Q RCY A 160 66.213 8.974 -1.438 1.00 1.00 C HETATM 1393 N1R RCY A 160 65.350 9.838 -2.349 1.00 1.00 N HETATM 1394 C1S RCY A 160 66.843 9.895 -0.410 1.00 1.00 C HETATM 1395 C1U RCY A 160 64.204 9.408 -3.268 1.00 1.00 C HETATM 1396 C1V RCY A 160 65.910 8.559 -4.937 1.00 1.00 C HETATM 1397 N1V RCY A 160 63.430 8.317 -5.189 1.00 1.00 N HETATM 1398 C1W RCY A 160 63.112 9.804 -5.339 1.00 1.00 C HETATM 1399 C1X RCY A 160 64.595 8.270 -4.210 1.00 1.00 C HETATM 1400 C1Y RCY A 160 63.666 10.338 -6.663 1.00 1.00 C HETATM 1401 C1Z RCY A 160 61.598 10.002 -5.269 1.00 1.00 C HETATM 0 H1ZB RCY A 160 61.216 9.562 -4.348 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 61.369 11.068 -5.284 1.00 1.00 H new HETATM 0 H1YB RCY A 160 63.506 11.415 -6.717 1.00 1.00 H new HETATM 0 H1YA RCY A 160 64.734 10.127 -6.722 1.00 1.00 H new HETATM 0 H1VB RCY A 160 66.728 8.577 -4.217 1.00 1.00 H new HETATM 0 H1VA RCY A 160 66.095 7.780 -5.677 1.00 1.00 H new HETATM 0 H1MA RCY A 160 63.152 11.173 -3.648 1.00 1.00 H new HETATM 0 H1LA RCY A 160 68.086 11.131 -1.731 1.00 1.00 H new HETATM 0 H1CB RCY A 160 65.355 6.959 -2.677 1.00 1.00 H new HETATM 0 H1CA RCY A 160 63.640 6.703 -3.080 1.00 1.00 H new HETATM 0 H1Z RCY A 160 61.128 9.518 -6.125 1.00 1.00 H new HETATM 0 H1Y RCY A 160 63.154 9.853 -7.494 1.00 1.00 H new HETATM 0 H1V RCY A 160 65.845 9.526 -5.436 1.00 1.00 H new HETATM 0 H1U RCY A 160 63.409 9.108 -2.585 1.00 1.00 H new HETATM 0 H1S RCY A 160 66.165 10.081 0.423 1.00 1.00 H new HETATM 0 H1M RCY A 160 64.687 11.038 -4.483 1.00 1.00 H new HETATM 0 H1L RCY A 160 67.210 12.056 -0.527 1.00 1.00 H new HETATM 0 H1C RCY A 160 64.909 6.138 -4.192 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.936 3.936 1.808 1.00 1.00 C HETATM 1405 O1G RCY A 168 75.513 5.350 4.142 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.073 2.115 4.207 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.614 3.527 -1.097 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.553 3.961 5.913 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.590 3.616 1.319 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.677 4.517 4.489 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.811 3.051 4.510 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.634 3.906 3.554 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.072 3.568 5.913 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.452 4.098 2.047 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.338 1.827 1.930 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.576 3.397 -0.007 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.099 3.338 -0.107 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.284 3.289 1.483 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.552 1.952 -0.573 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.578 4.416 -1.080 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.195 5.387 -0.765 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.668 4.441 -1.088 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.641 1.901 -0.559 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.145 1.193 0.094 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.183 1.770 3.007 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.557 1.262 1.421 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.392 4.354 1.318 1.00 1.00 H new HETATM 0 H1LA RCY A 168 75.211 3.109 6.087 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.816 4.002 2.889 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.899 4.936 1.377 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.213 4.190 -2.082 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.194 1.774 -1.587 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.312 1.406 1.680 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.292 5.170 1.930 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.436 4.422 6.145 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.990 2.711 1.776 1.00 1.00 H new HETATM 0 H1L RCY A 168 74.787 4.706 6.674 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.132 3.331 1.390 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.868 -3.165 0.765 1.00 1.00 C HETATM 1424 O1G RCY A 173 79.843 -3.412 2.748 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.082 -0.651 3.475 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.556 -5.014 0.213 1.00 1.00 O HETATM 1427 C1L RCY A 173 78.511 -2.885 4.731 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.687 -1.291 0.517 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.919 -2.779 3.256 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.160 -1.227 3.610 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.037 -1.789 2.498 1.00 1.00 N HETATM 1432 C1S RCY A 173 77.866 -1.508 4.924 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.027 -1.444 1.008 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.864 -2.082 -1.295 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.467 -3.557 0.170 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.204 -2.699 0.147 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.613 -2.555 0.138 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.579 -2.704 -1.251 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.215 -3.236 1.181 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.698 -3.281 2.157 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.350 -2.576 1.234 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.729 -2.022 -1.272 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.320 -2.382 -1.982 1.00 1.00 H new HETATM 0 H1VB RCY A 173 79.648 -1.325 -1.296 1.00 1.00 H new HETATM 0 H1VA RCY A 173 79.175 -2.928 -1.908 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.043 -0.845 1.275 1.00 1.00 H new HETATM 0 H1LA RCY A 173 77.813 -3.702 4.913 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.626 -2.391 0.888 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.620 -3.588 1.738 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.891 -4.235 0.890 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.242 -3.712 -1.495 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.948 -1.656 -1.703 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.615 -0.529 0.940 1.00 1.00 H new HETATM 0 H1S RCY A 173 78.615 -0.747 5.142 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.663 -0.631 -0.350 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.365 -3.042 5.390 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.254 -3.951 0.116 1.00 1.00 H new HETATM 1442 C1C RCY A 176 87.068 1.397 4.070 1.00 1.00 C HETATM 1443 O1G RCY A 176 87.385 -3.981 3.142 1.00 1.00 O HETATM 1444 O1H RCY A 176 84.753 -0.325 4.557 1.00 1.00 O HETATM 1445 O1J RCY A 176 88.409 2.543 1.629 1.00 1.00 O HETATM 1446 C1L RCY A 176 85.340 -3.806 4.475 1.00 1.00 C HETATM 1447 C1M RCY A 176 87.666 -1.218 1.520 1.00 1.00 C HETATM 1448 C1P RCY A 176 86.536 -3.270 3.678 1.00 1.00 C HETATM 1449 C1Q RCY A 176 85.364 -1.392 4.531 1.00 1.00 C HETATM 1450 N1R RCY A 176 86.543 -1.743 3.632 1.00 1.00 N HETATM 1451 C1S RCY A 176 85.080 -2.608 5.394 1.00 1.00 C HETATM 1452 C1U RCY A 176 87.485 -0.800 2.881 1.00 1.00 C HETATM 1453 C1V RCY A 176 85.490 0.624 2.242 1.00 1.00 C HETATM 1454 N1V RCY A 176 87.871 1.188 1.706 1.00 1.00 N HETATM 1455 C1W RCY A 176 88.126 0.025 0.749 1.00 1.00 C HETATM 1456 C1X RCY A 176 86.930 0.619 2.759 1.00 1.00 C HETATM 1457 C1Y RCY A 176 87.307 0.197 -0.533 1.00 1.00 C HETATM 1458 C1Z RCY A 176 89.620 -0.041 0.429 1.00 1.00 C HETATM 0 H1YB RCY A 176 87.436 -0.680 -1.168 1.00 1.00 H new HETATM 0 H1YA RCY A 176 86.253 0.309 -0.279 1.00 1.00 H new HETATM 0 H1VB RCY A 176 84.836 0.164 2.982 1.00 1.00 H new HETATM 0 H1VA RCY A 176 85.171 1.651 2.065 1.00 1.00 H new HETATM 0 H1MA RCY A 176 88.407 -2.014 1.453 1.00 1.00 H new HETATM 0 H1LA RCY A 176 84.485 -4.038 3.840 1.00 1.00 H new HETATM 0 H1CB RCY A 176 86.520 0.882 4.858 1.00 1.00 H new HETATM 0 H1CA RCY A 176 88.121 1.464 4.344 1.00 1.00 H new HETATM 0 H1Y RCY A 176 87.648 1.084 -1.066 1.00 1.00 H new HETATM 0 H1V RCY A 176 85.436 0.061 1.310 1.00 1.00 H new HETATM 0 H1U RCY A 176 88.407 -0.822 3.462 1.00 1.00 H new HETATM 0 H1S RCY A 176 85.729 -2.632 6.270 1.00 1.00 H new HETATM 0 H1M RCY A 176 86.737 -1.611 1.107 1.00 1.00 H new HETATM 0 H1L RCY A 176 85.581 -4.713 5.029 1.00 1.00 H new HETATM 0 H1C RCY A 176 86.662 2.400 3.942 1.00 1.00 H new HETATM 1461 C1C RCY A 187 72.289 -1.144 -8.870 1.00 1.00 C HETATM 1462 O1G RCY A 187 67.891 -2.646 -6.864 1.00 1.00 O HETATM 1463 O1H RCY A 187 72.471 -3.295 -5.911 1.00 1.00 O HETATM 1464 O1J RCY A 187 72.758 1.772 -8.282 1.00 1.00 O HETATM 1465 C1L RCY A 187 69.180 -4.566 -6.065 1.00 1.00 C HETATM 1466 C1M RCY A 187 70.384 -0.057 -5.890 1.00 1.00 C HETATM 1467 C1P RCY A 187 68.982 -3.131 -6.570 1.00 1.00 C HETATM 1468 C1Q RCY A 187 71.316 -3.465 -6.299 1.00 1.00 C HETATM 1469 N1R RCY A 187 70.310 -2.380 -6.662 1.00 1.00 N HETATM 1470 C1S RCY A 187 70.628 -4.803 -6.506 1.00 1.00 C HETATM 1471 C1U RCY A 187 70.572 -0.917 -7.023 1.00 1.00 C HETATM 1472 C1V RCY A 187 73.015 -1.250 -6.443 1.00 1.00 C HETATM 1473 N1V RCY A 187 72.051 0.860 -7.387 1.00 1.00 N HETATM 1474 C1W RCY A 187 71.179 1.220 -6.186 1.00 1.00 C HETATM 1475 C1X RCY A 187 72.018 -0.661 -7.444 1.00 1.00 C HETATM 1476 C1Y RCY A 187 72.052 1.602 -4.987 1.00 1.00 C HETATM 1477 C1Z RCY A 187 70.253 2.375 -6.568 1.00 1.00 C HETATM 0 H1ZB RCY A 187 69.685 2.106 -7.459 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 69.566 2.577 -5.746 1.00 1.00 H new HETATM 0 H1YB RCY A 187 71.419 1.774 -4.116 1.00 1.00 H new HETATM 0 H1YA RCY A 187 72.751 0.793 -4.773 1.00 1.00 H new HETATM 0 H1VB RCY A 187 72.943 -2.338 -6.454 1.00 1.00 H new HETATM 0 H1VA RCY A 187 74.026 -0.951 -6.718 1.00 1.00 H new HETATM 0 H1MA RCY A 187 69.328 0.167 -5.743 1.00 1.00 H new HETATM 0 H1LA RCY A 187 69.054 -4.650 -4.986 1.00 1.00 H new HETATM 0 H1CB RCY A 187 72.099 -2.215 -8.933 1.00 1.00 H new HETATM 0 H1CA RCY A 187 71.633 -0.618 -9.563 1.00 1.00 H new HETATM 0 H1Z RCY A 187 70.847 3.266 -6.772 1.00 1.00 H new HETATM 0 H1Y RCY A 187 72.608 2.511 -5.217 1.00 1.00 H new HETATM 0 H1V RCY A 187 72.787 -0.882 -5.443 1.00 1.00 H new HETATM 0 H1U RCY A 187 69.875 -0.712 -7.835 1.00 1.00 H new HETATM 0 H1S RCY A 187 70.678 -5.117 -7.548 1.00 1.00 H new HETATM 0 H1M RCY A 187 70.739 -0.534 -4.976 1.00 1.00 H new HETATM 0 H1L RCY A 187 68.484 -5.269 -6.523 1.00 1.00 H new HETATM 0 H1C RCY A 187 73.328 -0.944 -9.131 1.00 1.00 H new