USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=17 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 10 CYS H : A 10 CYS N : A 110 RCY C1L :(H bumps) USER MOD NoAdj-H: A 83 GLNHE21 : A 83 GLN NE2 : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 83 GLNHE22 : A 83 GLN NE2 : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 9 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 9 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 9 GLU OE1 :(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 RCYH1ZB : A 160 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 83 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 83 GLN CD :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 83 GLN NE2 :(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 H1L : A 176 RCY C1L : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 176 RCY O1J :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0104 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.318! C(o=-0.32!,f=-5.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.876 USER MOD Single : A 17 MET CE :methyl -158:sc= -0.127 (180deg=-1.34) USER MOD Single : A 22 THR OG1 : rot -22:sc= 0.948 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.13) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.192 (180deg=-1.38!) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.207 (180deg=-1.08) USER MOD Single : A 32 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.7!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -72:sc= 1.17 USER MOD Single : A 37 GLN : amide:sc= -4.77! C(o=-4.8!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -6.68! (180deg=-8.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -0.95 (180deg=-2.6!) USER MOD Single : A 44 LYS NZ :NH3+ -120:sc= -0.102 (180deg=-0.721) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.0945 (180deg=-0.749) USER MOD Single : A 48 GLN : amide:sc= -20.2! C(o=-20!,f=-8.9!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -65:sc= -0.974 USER MOD Single : A 65 THR OG1 : rot 2:sc= 0.626 USER MOD Single : A 74 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.4) USER MOD Single : A 75 HIS : no HD1:sc= -1.51! K(o=-1.5!,f=-0.53) USER MOD Single : A 79 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.32) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.393 -16.438 8.345 1.00 1.00 N ATOM 2 CA MET A 1 71.920 -17.685 9.008 1.00 1.00 C ATOM 3 C MET A 1 71.818 -17.453 10.517 1.00 1.00 C ATOM 4 O MET A 1 72.675 -16.837 11.119 1.00 1.00 O ATOM 5 CB MET A 1 72.911 -18.818 8.732 1.00 1.00 C ATOM 6 CG MET A 1 72.479 -20.073 9.493 1.00 1.00 C ATOM 7 SD MET A 1 73.426 -21.496 8.898 1.00 1.00 S ATOM 8 CE MET A 1 72.550 -22.764 9.846 1.00 1.00 C ATOM 0 H1 MET A 1 73.131 -16.672 7.651 1.00 1.00 H new ATOM 0 H2 MET A 1 71.596 -15.978 7.861 1.00 1.00 H new ATOM 0 H3 MET A 1 72.783 -15.791 9.060 1.00 1.00 H new ATOM 0 HA MET A 1 70.940 -17.956 8.615 1.00 1.00 H new ATOM 0 HB2 MET A 1 72.954 -19.025 7.663 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.914 -18.521 9.039 1.00 1.00 H new ATOM 0 HG2 MET A 1 72.641 -19.936 10.562 1.00 1.00 H new ATOM 0 HG3 MET A 1 71.412 -20.248 9.352 1.00 1.00 H new ATOM 0 HE1 MET A 1 72.979 -23.742 9.628 1.00 1.00 H new ATOM 0 HE2 MET A 1 72.647 -22.554 10.911 1.00 1.00 H new ATOM 0 HE3 MET A 1 71.495 -22.761 9.571 1.00 1.00 H new ATOM 17 N ASN A 2 70.776 -17.941 11.132 1.00 1.00 N ATOM 18 CA ASN A 2 70.619 -17.748 12.602 1.00 1.00 C ATOM 19 C ASN A 2 69.421 -18.562 13.096 1.00 1.00 C ATOM 20 O ASN A 2 68.658 -19.097 12.316 1.00 1.00 O ATOM 21 CB ASN A 2 70.384 -16.265 12.898 1.00 1.00 C ATOM 22 CG ASN A 2 70.104 -16.080 14.391 1.00 1.00 C ATOM 23 OD1 ASN A 2 70.715 -16.725 15.220 1.00 1.00 O ATOM 24 ND2 ASN A 2 69.199 -15.221 14.771 1.00 1.00 N ATOM 0 H ASN A 2 70.026 -18.465 10.681 1.00 1.00 H new ATOM 0 HA ASN A 2 71.522 -18.082 13.112 1.00 1.00 H new ATOM 0 HB2 ASN A 2 71.258 -15.682 12.606 1.00 1.00 H new ATOM 0 HB3 ASN A 2 69.543 -15.895 12.311 1.00 1.00 H new ATOM 0 HD21 ASN A 2 69.004 -15.091 15.764 1.00 1.00 H new ATOM 0 HD22 ASN A 2 68.686 -14.679 14.075 1.00 1.00 H new ATOM 31 N LEU A 3 69.249 -18.661 14.386 1.00 1.00 N ATOM 32 CA LEU A 3 68.100 -19.440 14.926 1.00 1.00 C ATOM 33 C LEU A 3 66.813 -18.996 14.227 1.00 1.00 C ATOM 34 O LEU A 3 66.443 -19.521 13.196 1.00 1.00 O ATOM 35 CB LEU A 3 67.976 -19.192 16.432 1.00 1.00 C ATOM 36 CG LEU A 3 69.092 -19.935 17.169 1.00 1.00 C ATOM 37 CD1 LEU A 3 69.393 -19.224 18.490 1.00 1.00 C ATOM 38 CD2 LEU A 3 68.645 -21.370 17.454 1.00 1.00 C ATOM 0 H LEU A 3 69.854 -18.236 15.088 1.00 1.00 H new ATOM 0 HA LEU A 3 68.264 -20.503 14.747 1.00 1.00 H new ATOM 0 HB2 LEU A 3 68.037 -18.124 16.641 1.00 1.00 H new ATOM 0 HB3 LEU A 3 67.003 -19.531 16.788 1.00 1.00 H new ATOM 0 HG LEU A 3 69.990 -19.948 16.551 1.00 1.00 H new ATOM 0 HD11 LEU A 3 70.188 -19.753 19.015 1.00 1.00 H new ATOM 0 HD12 LEU A 3 69.710 -18.201 18.288 1.00 1.00 H new ATOM 0 HD13 LEU A 3 68.496 -19.211 19.109 1.00 1.00 H new ATOM 0 HD21 LEU A 3 69.439 -21.901 17.979 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.748 -21.355 18.072 1.00 1.00 H new ATOM 0 HD23 LEU A 3 68.429 -21.877 16.514 1.00 1.00 H new ATOM 50 N GLU A 4 66.129 -18.029 14.778 1.00 1.00 N ATOM 51 CA GLU A 4 64.869 -17.550 14.142 1.00 1.00 C ATOM 52 C GLU A 4 65.202 -16.427 13.147 1.00 1.00 C ATOM 53 O GLU A 4 65.800 -15.434 13.513 1.00 1.00 O ATOM 54 CB GLU A 4 63.926 -17.015 15.225 1.00 1.00 C ATOM 55 CG GLU A 4 64.737 -16.268 16.286 1.00 1.00 C ATOM 56 CD GLU A 4 63.786 -15.532 17.232 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.290 -16.163 18.151 1.00 1.00 O ATOM 58 OE2 GLU A 4 63.569 -14.350 17.020 1.00 1.00 O ATOM 0 H GLU A 4 66.389 -17.551 15.641 1.00 1.00 H new ATOM 0 HA GLU A 4 64.385 -18.372 13.615 1.00 1.00 H new ATOM 0 HB2 GLU A 4 63.187 -16.348 14.781 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.378 -17.838 15.684 1.00 1.00 H new ATOM 0 HG2 GLU A 4 65.354 -16.969 16.847 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.413 -15.559 15.809 1.00 1.00 H new ATOM 65 N PRO A 5 64.827 -16.573 11.897 1.00 1.00 N ATOM 66 CA PRO A 5 65.106 -15.543 10.856 1.00 1.00 C ATOM 67 C PRO A 5 64.833 -14.120 11.361 1.00 1.00 C ATOM 68 O PRO A 5 64.053 -13.920 12.270 1.00 1.00 O ATOM 69 CB PRO A 5 64.138 -15.903 9.728 1.00 1.00 C ATOM 70 CG PRO A 5 63.927 -17.376 9.857 1.00 1.00 C ATOM 71 CD PRO A 5 64.100 -17.725 11.340 1.00 1.00 C ATOM 0 HA PRO A 5 66.153 -15.544 10.552 1.00 1.00 H new ATOM 0 HB2 PRO A 5 63.198 -15.359 9.826 1.00 1.00 H new ATOM 0 HB3 PRO A 5 64.554 -15.648 8.754 1.00 1.00 H new ATOM 0 HG2 PRO A 5 62.933 -17.655 9.509 1.00 1.00 H new ATOM 0 HG3 PRO A 5 64.644 -17.923 9.246 1.00 1.00 H new ATOM 0 HD2 PRO A 5 63.137 -17.864 11.832 1.00 1.00 H new ATOM 0 HD3 PRO A 5 64.661 -18.651 11.469 1.00 1.00 H new ATOM 79 N PRO A 6 65.465 -13.139 10.770 1.00 1.00 N ATOM 80 CA PRO A 6 65.276 -11.713 11.163 1.00 1.00 C ATOM 81 C PRO A 6 63.920 -11.171 10.697 1.00 1.00 C ATOM 82 O PRO A 6 63.264 -11.758 9.859 1.00 1.00 O ATOM 83 CB PRO A 6 66.422 -10.987 10.451 1.00 1.00 C ATOM 84 CG PRO A 6 66.738 -11.835 9.264 1.00 1.00 C ATOM 85 CD PRO A 6 66.425 -13.279 9.663 1.00 1.00 C ATOM 0 HA PRO A 6 65.286 -11.578 12.245 1.00 1.00 H new ATOM 0 HB2 PRO A 6 66.126 -9.982 10.150 1.00 1.00 H new ATOM 0 HB3 PRO A 6 67.289 -10.882 11.103 1.00 1.00 H new ATOM 0 HG2 PRO A 6 66.142 -11.533 8.403 1.00 1.00 H new ATOM 0 HG3 PRO A 6 67.785 -11.730 8.980 1.00 1.00 H new ATOM 0 HD2 PRO A 6 65.998 -13.840 8.832 1.00 1.00 H new ATOM 0 HD3 PRO A 6 67.323 -13.810 9.978 1.00 1.00 H new ATOM 93 N LYS A 7 63.494 -10.060 11.230 1.00 1.00 N ATOM 94 CA LYS A 7 62.181 -9.494 10.809 1.00 1.00 C ATOM 95 C LYS A 7 62.344 -8.785 9.464 1.00 1.00 C ATOM 96 O LYS A 7 61.454 -8.098 9.005 1.00 1.00 O ATOM 97 CB LYS A 7 61.688 -8.495 11.864 1.00 1.00 C ATOM 98 CG LYS A 7 60.301 -7.979 11.477 1.00 1.00 C ATOM 99 CD LYS A 7 60.416 -6.545 10.955 1.00 1.00 C ATOM 100 CE LYS A 7 60.271 -5.565 12.121 1.00 1.00 C ATOM 101 NZ LYS A 7 60.741 -4.216 11.696 1.00 1.00 N ATOM 0 H LYS A 7 63.995 -9.521 11.936 1.00 1.00 H new ATOM 0 HA LYS A 7 61.452 -10.298 10.710 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.648 -8.974 12.842 1.00 1.00 H new ATOM 0 HB3 LYS A 7 62.387 -7.662 11.945 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.863 -8.621 10.713 1.00 1.00 H new ATOM 0 HG3 LYS A 7 59.636 -8.011 12.340 1.00 1.00 H new ATOM 0 HD2 LYS A 7 61.378 -6.402 10.463 1.00 1.00 H new ATOM 0 HD3 LYS A 7 59.645 -6.355 10.208 1.00 1.00 H new ATOM 0 HE2 LYS A 7 59.230 -5.515 12.441 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.851 -5.912 12.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 60.643 -3.549 12.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 61.740 -4.270 11.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.169 -3.886 10.893 1.00 1.00 H new ATOM 115 N ALA A 8 63.474 -8.949 8.826 1.00 1.00 N ATOM 116 CA ALA A 8 63.694 -8.285 7.508 1.00 1.00 C ATOM 117 C ALA A 8 62.418 -8.384 6.668 1.00 1.00 C ATOM 118 O ALA A 8 61.716 -7.412 6.475 1.00 1.00 O ATOM 119 CB ALA A 8 64.845 -8.974 6.771 1.00 1.00 C ATOM 0 H ALA A 8 64.254 -9.514 9.162 1.00 1.00 H new ATOM 0 HA ALA A 8 63.944 -7.236 7.669 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.004 -8.487 5.809 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.754 -8.903 7.368 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.598 -10.023 6.611 1.00 1.00 H new ATOM 125 N GLU A 9 62.109 -9.553 6.178 1.00 1.00 N ATOM 126 CA GLU A 9 60.875 -9.720 5.360 1.00 1.00 C ATOM 127 C GLU A 9 60.642 -11.210 5.106 1.00 1.00 C ATOM 128 O GLU A 9 61.518 -12.029 5.305 1.00 1.00 O ATOM 129 CB GLU A 9 61.036 -8.992 4.014 1.00 1.00 C ATOM 130 CG GLU A 9 60.566 -7.542 4.149 1.00 1.00 C ATOM 131 CD GLU A 9 59.813 -7.129 2.883 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.281 -7.459 1.805 1.00 1.00 O ATOM 133 OE2 GLU A 9 58.782 -6.490 3.012 1.00 1.00 O ATOM 0 H GLU A 9 62.659 -10.402 6.309 1.00 1.00 H new ATOM 0 HA GLU A 9 60.025 -9.296 5.895 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.079 -9.018 3.699 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.457 -9.501 3.243 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.919 -7.438 5.020 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.421 -6.885 4.307 1.00 1.00 H new ATOM 140 N CYS A 10 59.468 -11.567 4.667 1.00 1.00 N ATOM 141 CA CYS A 10 59.177 -13.003 4.397 1.00 1.00 C ATOM 142 C CYS A 10 59.712 -13.378 3.014 1.00 1.00 C ATOM 143 O CYS A 10 58.959 -13.613 2.090 1.00 1.00 O ATOM 144 CB CYS A 10 57.665 -13.231 4.440 1.00 1.00 C ATOM 145 SG CYS A 10 57.036 -12.806 6.083 1.00 1.00 S ATOM 0 HA CYS A 10 59.659 -13.623 5.153 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.173 -12.622 3.682 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.437 -14.272 4.210 1.00 1.00 H new ATOM 150 N ARG A 11 61.008 -13.432 2.864 1.00 1.00 N ATOM 151 CA ARG A 11 61.591 -13.788 1.540 1.00 1.00 C ATOM 152 C ARG A 11 61.011 -12.865 0.465 1.00 1.00 C ATOM 153 O ARG A 11 60.547 -11.780 0.751 1.00 1.00 O ATOM 154 CB ARG A 11 61.248 -15.241 1.204 1.00 1.00 C ATOM 155 CG ARG A 11 61.738 -16.156 2.328 1.00 1.00 C ATOM 156 CD ARG A 11 63.263 -16.073 2.426 1.00 1.00 C ATOM 157 NE ARG A 11 63.801 -17.378 2.903 1.00 1.00 N ATOM 158 CZ ARG A 11 63.973 -18.360 2.061 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.673 -18.200 0.802 1.00 1.00 N ATOM 160 NH2 ARG A 11 64.444 -19.503 2.479 1.00 1.00 N ATOM 0 H ARG A 11 61.687 -13.245 3.601 1.00 1.00 H new ATOM 0 HA ARG A 11 62.674 -13.671 1.576 1.00 1.00 H new ATOM 0 HB2 ARG A 11 60.171 -15.351 1.075 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.713 -15.526 0.260 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.286 -15.861 3.275 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.431 -17.184 2.135 1.00 1.00 H new ATOM 0 HD2 ARG A 11 63.688 -15.826 1.453 1.00 1.00 H new ATOM 0 HD3 ARG A 11 63.551 -15.276 3.111 1.00 1.00 H new ATOM 0 HE ARG A 11 64.035 -17.504 3.888 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.304 -17.307 0.475 1.00 1.00 H new ATOM 0 HH12 ARG A 11 63.808 -18.968 0.144 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.678 -19.629 3.464 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.578 -20.271 1.821 1.00 1.00 H new ATOM 174 N SER A 12 61.034 -13.289 -0.769 1.00 1.00 N ATOM 175 CA SER A 12 60.482 -12.438 -1.862 1.00 1.00 C ATOM 176 C SER A 12 61.299 -11.148 -1.968 1.00 1.00 C ATOM 177 O SER A 12 62.427 -11.078 -1.524 1.00 1.00 O ATOM 178 CB SER A 12 59.021 -12.099 -1.557 1.00 1.00 C ATOM 179 OG SER A 12 58.401 -13.215 -0.934 1.00 1.00 O ATOM 0 H SER A 12 61.411 -14.188 -1.068 1.00 1.00 H new ATOM 0 HA SER A 12 60.537 -12.978 -2.807 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.966 -11.227 -0.905 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.495 -11.843 -2.477 1.00 1.00 H new ATOM 0 HG SER A 12 57.465 -13.001 -0.736 1.00 1.00 H new ATOM 185 N ALA A 13 60.737 -10.125 -2.553 1.00 1.00 N ATOM 186 CA ALA A 13 61.482 -8.842 -2.688 1.00 1.00 C ATOM 187 C ALA A 13 60.490 -7.686 -2.832 1.00 1.00 C ATOM 188 O ALA A 13 60.824 -6.633 -3.335 1.00 1.00 O ATOM 189 CB ALA A 13 62.379 -8.900 -3.926 1.00 1.00 C ATOM 0 H ALA A 13 59.794 -10.123 -2.943 1.00 1.00 H new ATOM 0 HA ALA A 13 62.096 -8.685 -1.801 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.924 -7.961 -4.025 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.088 -9.722 -3.824 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.765 -9.058 -4.813 1.00 1.00 H new ATOM 195 N THR A 14 59.270 -7.880 -2.395 1.00 1.00 N ATOM 196 CA THR A 14 58.239 -6.803 -2.502 1.00 1.00 C ATOM 197 C THR A 14 58.434 -6.035 -3.810 1.00 1.00 C ATOM 198 O THR A 14 58.395 -4.822 -3.846 1.00 1.00 O ATOM 199 CB THR A 14 58.350 -5.844 -1.307 1.00 1.00 C ATOM 200 OG1 THR A 14 57.401 -4.797 -1.453 1.00 1.00 O ATOM 201 CG2 THR A 14 59.760 -5.254 -1.253 1.00 1.00 C ATOM 0 H THR A 14 58.942 -8.745 -1.966 1.00 1.00 H new ATOM 0 HA THR A 14 57.247 -7.256 -2.495 1.00 1.00 H new ATOM 0 HB THR A 14 58.152 -6.388 -0.384 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.584 -4.302 -2.279 1.00 1.00 H new ATOM 0 HG21 THR A 14 59.838 -4.574 -0.405 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.487 -6.058 -1.141 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.962 -4.709 -2.175 1.00 1.00 H new ATOM 209 N ARG A 15 58.650 -6.743 -4.883 1.00 1.00 N ATOM 210 CA ARG A 15 58.857 -6.076 -6.197 1.00 1.00 C ATOM 211 C ARG A 15 60.090 -5.174 -6.123 1.00 1.00 C ATOM 212 O ARG A 15 60.530 -4.792 -5.056 1.00 1.00 O ATOM 213 CB ARG A 15 57.628 -5.234 -6.553 1.00 1.00 C ATOM 214 CG ARG A 15 56.356 -6.021 -6.231 1.00 1.00 C ATOM 215 CD ARG A 15 55.150 -5.324 -6.862 1.00 1.00 C ATOM 216 NE ARG A 15 55.373 -3.851 -6.864 1.00 1.00 N ATOM 217 CZ ARG A 15 55.805 -3.257 -7.943 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.042 -3.954 -9.021 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.000 -1.967 -7.945 1.00 1.00 N ATOM 0 H ARG A 15 58.692 -7.762 -4.906 1.00 1.00 H new ATOM 0 HA ARG A 15 59.006 -6.835 -6.965 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.641 -4.299 -5.993 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.648 -4.972 -7.611 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.440 -7.039 -6.610 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.224 -6.093 -5.151 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.002 -5.682 -7.881 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.245 -5.565 -6.305 1.00 1.00 H new ATOM 0 HE ARG A 15 55.188 -3.306 -6.022 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.890 -4.963 -9.020 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.380 -3.490 -9.864 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.815 -1.422 -7.103 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.338 -1.504 -8.789 1.00 1.00 H new ATOM 233 N VAL A 16 60.653 -4.832 -7.249 1.00 1.00 N ATOM 234 CA VAL A 16 61.859 -3.955 -7.247 1.00 1.00 C ATOM 235 C VAL A 16 61.978 -3.254 -8.601 1.00 1.00 C ATOM 236 O VAL A 16 62.518 -2.170 -8.705 1.00 1.00 O ATOM 237 CB VAL A 16 63.108 -4.808 -7.004 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.265 -5.820 -8.141 1.00 1.00 C ATOM 239 CG2 VAL A 16 64.341 -3.903 -6.955 1.00 1.00 C ATOM 0 H VAL A 16 60.330 -5.122 -8.172 1.00 1.00 H new ATOM 0 HA VAL A 16 61.767 -3.210 -6.457 1.00 1.00 H new ATOM 0 HB VAL A 16 63.007 -5.338 -6.057 1.00 1.00 H new ATOM 0 HG11 VAL A 16 64.154 -6.427 -7.968 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.387 -6.465 -8.178 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.366 -5.290 -9.088 1.00 1.00 H new ATOM 0 HG21 VAL A 16 65.230 -4.509 -6.782 1.00 1.00 H new ATOM 0 HG22 VAL A 16 64.441 -3.373 -7.902 1.00 1.00 H new ATOM 0 HG23 VAL A 16 64.231 -3.181 -6.146 1.00 1.00 H new ATOM 249 N MET A 17 61.481 -3.865 -9.641 1.00 1.00 N ATOM 250 CA MET A 17 61.568 -3.235 -10.987 1.00 1.00 C ATOM 251 C MET A 17 60.527 -2.118 -11.096 1.00 1.00 C ATOM 252 O MET A 17 59.388 -2.352 -11.446 1.00 1.00 O ATOM 253 CB MET A 17 61.297 -4.292 -12.060 1.00 1.00 C ATOM 254 CG MET A 17 61.650 -3.727 -13.437 1.00 1.00 C ATOM 255 SD MET A 17 60.860 -4.728 -14.721 1.00 1.00 S ATOM 256 CE MET A 17 61.497 -6.334 -14.181 1.00 1.00 C ATOM 0 H MET A 17 61.018 -4.774 -9.616 1.00 1.00 H new ATOM 0 HA MET A 17 62.564 -2.817 -11.130 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.887 -5.187 -11.861 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.249 -4.589 -12.035 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.318 -2.691 -13.513 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.731 -3.726 -13.575 1.00 1.00 H new ATOM 0 HE1 MET A 17 61.472 -7.035 -15.016 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.524 -6.220 -13.834 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.879 -6.716 -13.368 1.00 1.00 H new ATOM 266 N GLY A 18 60.909 -0.906 -10.798 1.00 1.00 N ATOM 267 CA GLY A 18 59.940 0.223 -10.885 1.00 1.00 C ATOM 268 C GLY A 18 59.810 0.674 -12.340 1.00 1.00 C ATOM 269 O GLY A 18 60.371 1.673 -12.743 1.00 1.00 O ATOM 0 H GLY A 18 61.850 -0.649 -10.498 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.968 -0.088 -10.502 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.277 1.054 -10.265 1.00 1.00 H new ATOM 273 N GLY A 19 59.075 -0.056 -13.135 1.00 1.00 N ATOM 274 CA GLY A 19 58.914 0.332 -14.565 1.00 1.00 C ATOM 275 C GLY A 19 60.245 0.146 -15.296 1.00 1.00 C ATOM 276 O GLY A 19 61.196 -0.370 -14.744 1.00 1.00 O ATOM 0 H GLY A 19 58.580 -0.903 -12.856 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.141 -0.277 -15.034 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.589 1.370 -14.637 1.00 1.00 H new ATOM 280 N PRO A 20 60.308 0.566 -16.531 1.00 1.00 N ATOM 281 CA PRO A 20 61.543 0.449 -17.362 1.00 1.00 C ATOM 282 C PRO A 20 62.763 1.078 -16.676 1.00 1.00 C ATOM 283 O PRO A 20 62.890 1.051 -15.468 1.00 1.00 O ATOM 284 CB PRO A 20 61.198 1.207 -18.651 1.00 1.00 C ATOM 285 CG PRO A 20 59.707 1.225 -18.717 1.00 1.00 C ATOM 286 CD PRO A 20 59.205 1.197 -17.273 1.00 1.00 C ATOM 0 HA PRO A 20 61.815 -0.592 -17.535 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.602 2.219 -18.631 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.623 0.711 -19.524 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.353 2.117 -19.233 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.333 0.366 -19.274 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.996 2.201 -16.902 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.282 0.625 -17.181 1.00 1.00 H new ATOM 294 N CYS A 21 63.660 1.643 -17.440 1.00 1.00 N ATOM 295 CA CYS A 21 64.871 2.274 -16.838 1.00 1.00 C ATOM 296 C CYS A 21 65.123 3.627 -17.507 1.00 1.00 C ATOM 297 O CYS A 21 65.712 3.707 -18.567 1.00 1.00 O ATOM 298 CB CYS A 21 66.082 1.359 -17.053 1.00 1.00 C ATOM 299 SG CYS A 21 66.551 0.598 -15.479 1.00 1.00 S ATOM 0 H CYS A 21 63.606 1.695 -18.457 1.00 1.00 H new ATOM 0 HA CYS A 21 64.715 2.422 -15.769 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.843 0.588 -17.785 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.917 1.932 -17.455 1.00 1.00 H new ATOM 304 N THR A 22 64.684 4.692 -16.892 1.00 1.00 N ATOM 305 CA THR A 22 64.898 6.042 -17.486 1.00 1.00 C ATOM 306 C THR A 22 66.140 6.682 -16.848 1.00 1.00 C ATOM 307 O THR A 22 66.185 6.880 -15.650 1.00 1.00 O ATOM 308 CB THR A 22 63.674 6.916 -17.198 1.00 1.00 C ATOM 309 OG1 THR A 22 63.785 7.468 -15.894 1.00 1.00 O ATOM 310 CG2 THR A 22 62.405 6.067 -17.288 1.00 1.00 C ATOM 0 H THR A 22 64.185 4.685 -16.002 1.00 1.00 H new ATOM 0 HA THR A 22 65.042 5.954 -18.563 1.00 1.00 H new ATOM 0 HB THR A 22 63.622 7.721 -17.931 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.390 6.916 -15.356 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.535 6.690 -17.083 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.320 5.644 -18.289 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.454 5.261 -16.556 1.00 1.00 H new ATOM 318 N PRO A 23 67.144 7.005 -17.630 1.00 1.00 N ATOM 319 CA PRO A 23 68.390 7.628 -17.104 1.00 1.00 C ATOM 320 C PRO A 23 68.097 8.691 -16.042 1.00 1.00 C ATOM 321 O PRO A 23 67.009 9.228 -15.971 1.00 1.00 O ATOM 322 CB PRO A 23 69.023 8.255 -18.345 1.00 1.00 C ATOM 323 CG PRO A 23 68.576 7.389 -19.478 1.00 1.00 C ATOM 324 CD PRO A 23 67.207 6.818 -19.089 1.00 1.00 C ATOM 0 HA PRO A 23 69.037 6.905 -16.607 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.693 9.285 -18.480 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.110 8.276 -18.267 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.506 7.966 -20.400 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.292 6.587 -19.657 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.397 7.344 -19.594 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.122 5.766 -19.361 1.00 1.00 H new ATOM 332 N ARG A 24 69.056 8.996 -15.212 1.00 1.00 N ATOM 333 CA ARG A 24 68.825 10.020 -14.156 1.00 1.00 C ATOM 334 C ARG A 24 67.622 9.602 -13.306 1.00 1.00 C ATOM 335 O ARG A 24 66.901 8.684 -13.643 1.00 1.00 O ATOM 336 CB ARG A 24 68.548 11.377 -14.812 1.00 1.00 C ATOM 337 CG ARG A 24 68.817 12.497 -13.805 1.00 1.00 C ATOM 338 CD ARG A 24 68.651 13.853 -14.493 1.00 1.00 C ATOM 339 NE ARG A 24 68.760 14.941 -13.480 1.00 1.00 N ATOM 340 CZ ARG A 24 68.249 16.116 -13.726 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.642 16.339 -14.860 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.344 17.068 -12.839 1.00 1.00 N ATOM 0 H ARG A 24 69.988 8.581 -15.220 1.00 1.00 H new ATOM 0 HA ARG A 24 69.708 10.102 -13.522 1.00 1.00 H new ATOM 0 HB2 ARG A 24 69.181 11.504 -15.690 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.514 11.423 -15.155 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.128 12.417 -12.964 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.825 12.403 -13.401 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.414 13.979 -15.261 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.684 13.903 -14.993 1.00 1.00 H new ATOM 0 HE ARG A 24 69.234 14.767 -12.594 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.567 15.595 -15.553 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.242 17.257 -15.053 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.818 16.894 -11.953 1.00 1.00 H new ATOM 0 HH22 ARG A 24 67.944 17.986 -13.032 1.00 1.00 H new ATOM 356 N LYS A 25 67.398 10.269 -12.206 1.00 1.00 N ATOM 357 CA LYS A 25 66.241 9.908 -11.336 1.00 1.00 C ATOM 358 C LYS A 25 65.688 11.176 -10.675 1.00 1.00 C ATOM 359 O LYS A 25 64.540 11.229 -10.279 1.00 1.00 O ATOM 360 CB LYS A 25 66.686 8.904 -10.255 1.00 1.00 C ATOM 361 CG LYS A 25 68.212 8.904 -10.149 1.00 1.00 C ATOM 362 CD LYS A 25 68.687 10.251 -9.602 1.00 1.00 C ATOM 363 CE LYS A 25 70.085 10.095 -9.001 1.00 1.00 C ATOM 364 NZ LYS A 25 71.045 9.707 -10.072 1.00 1.00 N ATOM 0 H LYS A 25 67.966 11.048 -11.872 1.00 1.00 H new ATOM 0 HA LYS A 25 65.463 9.446 -11.944 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.245 9.170 -9.294 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.329 7.905 -10.504 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.541 8.097 -9.494 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.655 8.721 -11.128 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.704 10.994 -10.400 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.992 10.613 -8.844 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.399 11.030 -8.537 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.073 9.338 -8.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 72.018 9.798 -9.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 70.870 8.721 -10.354 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 70.918 10.331 -10.895 1.00 1.00 H new ATOM 378 N GLY A 26 66.492 12.199 -10.558 1.00 1.00 N ATOM 379 CA GLY A 26 66.009 13.465 -9.928 1.00 1.00 C ATOM 380 C GLY A 26 67.134 14.085 -9.094 1.00 1.00 C ATOM 381 O GLY A 26 67.821 14.981 -9.541 1.00 1.00 O ATOM 0 H GLY A 26 67.463 12.214 -10.871 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.685 14.165 -10.698 1.00 1.00 H new ATOM 0 HA3 GLY A 26 65.144 13.262 -9.297 1.00 1.00 H new ATOM 385 N PRO A 27 67.321 13.611 -7.887 1.00 1.00 N ATOM 386 CA PRO A 27 68.378 14.125 -6.976 1.00 1.00 C ATOM 387 C PRO A 27 69.700 14.373 -7.716 1.00 1.00 C ATOM 388 O PRO A 27 69.844 14.029 -8.872 1.00 1.00 O ATOM 389 CB PRO A 27 68.541 13.018 -5.916 1.00 1.00 C ATOM 390 CG PRO A 27 67.513 11.969 -6.212 1.00 1.00 C ATOM 391 CD PRO A 27 66.550 12.534 -7.258 1.00 1.00 C ATOM 0 HA PRO A 27 68.105 15.087 -6.542 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.545 12.595 -5.953 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.402 13.422 -4.913 1.00 1.00 H new ATOM 0 HG2 PRO A 27 67.990 11.062 -6.583 1.00 1.00 H new ATOM 0 HG3 PRO A 27 66.974 11.697 -5.305 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.255 11.775 -7.983 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.635 12.910 -6.800 1.00 1.00 H new ATOM 399 N PRO A 28 70.655 14.970 -7.052 1.00 1.00 N ATOM 400 CA PRO A 28 71.983 15.276 -7.651 1.00 1.00 C ATOM 401 C PRO A 28 72.487 14.153 -8.564 1.00 1.00 C ATOM 402 O PRO A 28 72.313 12.984 -8.282 1.00 1.00 O ATOM 403 CB PRO A 28 72.884 15.433 -6.428 1.00 1.00 C ATOM 404 CG PRO A 28 71.985 15.959 -5.357 1.00 1.00 C ATOM 405 CD PRO A 28 70.580 15.421 -5.652 1.00 1.00 C ATOM 0 HA PRO A 28 71.955 16.157 -8.292 1.00 1.00 H new ATOM 0 HB2 PRO A 28 73.328 14.481 -6.139 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.706 16.121 -6.628 1.00 1.00 H new ATOM 0 HG2 PRO A 28 72.324 15.634 -4.374 1.00 1.00 H new ATOM 0 HG3 PRO A 28 71.988 17.049 -5.351 1.00 1.00 H new ATOM 0 HD2 PRO A 28 70.318 14.602 -4.983 1.00 1.00 H new ATOM 0 HD3 PRO A 28 69.822 16.193 -5.522 1.00 1.00 H new ATOM 413 N LYS A 29 73.106 14.503 -9.659 1.00 1.00 N ATOM 414 CA LYS A 29 73.620 13.464 -10.597 1.00 1.00 C ATOM 415 C LYS A 29 75.099 13.201 -10.308 1.00 1.00 C ATOM 416 O LYS A 29 75.670 13.751 -9.387 1.00 1.00 O ATOM 417 CB LYS A 29 73.459 13.957 -12.038 1.00 1.00 C ATOM 418 CG LYS A 29 73.801 15.447 -12.109 1.00 1.00 C ATOM 419 CD LYS A 29 73.762 15.911 -13.566 1.00 1.00 C ATOM 420 CE LYS A 29 73.843 17.438 -13.619 1.00 1.00 C ATOM 421 NZ LYS A 29 72.753 18.022 -12.786 1.00 1.00 N ATOM 0 H LYS A 29 73.278 15.467 -9.945 1.00 1.00 H new ATOM 0 HA LYS A 29 73.056 12.541 -10.463 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.112 13.391 -12.702 1.00 1.00 H new ATOM 0 HB3 LYS A 29 72.437 13.791 -12.378 1.00 1.00 H new ATOM 0 HG2 LYS A 29 73.092 16.022 -11.514 1.00 1.00 H new ATOM 0 HG3 LYS A 29 74.790 15.625 -11.686 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.592 15.473 -14.120 1.00 1.00 H new ATOM 0 HD3 LYS A 29 72.844 15.568 -14.043 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.814 17.774 -13.255 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.752 17.782 -14.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.516 18.971 -13.140 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.912 17.413 -12.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 73.070 18.091 -11.798 1.00 1.00 H new ATOM 435 N CYS A 30 75.725 12.363 -11.091 1.00 1.00 N ATOM 436 CA CYS A 30 77.168 12.062 -10.867 1.00 1.00 C ATOM 437 C CYS A 30 77.861 11.863 -12.216 1.00 1.00 C ATOM 438 O CYS A 30 77.221 11.695 -13.235 1.00 1.00 O ATOM 439 CB CYS A 30 77.299 10.784 -10.035 1.00 1.00 C ATOM 440 SG CYS A 30 76.345 10.958 -8.507 1.00 1.00 S ATOM 0 H CYS A 30 75.298 11.873 -11.877 1.00 1.00 H new ATOM 0 HA CYS A 30 77.635 12.892 -10.336 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.939 9.928 -10.605 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.347 10.595 -9.802 1.00 1.00 H new ATOM 445 N LYS A 31 79.166 11.881 -12.233 1.00 1.00 N ATOM 446 CA LYS A 31 79.896 11.693 -13.519 1.00 1.00 C ATOM 447 C LYS A 31 81.392 11.535 -13.240 1.00 1.00 C ATOM 448 O LYS A 31 82.194 11.428 -14.147 1.00 1.00 O ATOM 449 CB LYS A 31 79.669 12.915 -14.413 1.00 1.00 C ATOM 450 CG LYS A 31 80.209 14.166 -13.717 1.00 1.00 C ATOM 451 CD LYS A 31 79.525 15.407 -14.295 1.00 1.00 C ATOM 452 CE LYS A 31 79.859 15.528 -15.783 1.00 1.00 C ATOM 453 NZ LYS A 31 81.334 15.429 -15.971 1.00 1.00 N ATOM 0 H LYS A 31 79.757 12.018 -11.413 1.00 1.00 H new ATOM 0 HA LYS A 31 79.526 10.799 -14.021 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.169 12.775 -15.371 1.00 1.00 H new ATOM 0 HB3 LYS A 31 78.606 13.033 -14.622 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.028 14.105 -12.644 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.288 14.235 -13.855 1.00 1.00 H new ATOM 0 HD2 LYS A 31 78.446 15.337 -14.158 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.857 16.299 -13.763 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.356 14.740 -16.345 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.495 16.479 -16.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 81.599 15.868 -16.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 81.817 15.922 -15.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.617 14.428 -15.976 1.00 1.00 H new ATOM 467 N GLN A 32 81.775 11.520 -11.993 1.00 1.00 N ATOM 468 CA GLN A 32 83.220 11.369 -11.658 1.00 1.00 C ATOM 469 C GLN A 32 83.602 9.887 -11.697 1.00 1.00 C ATOM 470 O GLN A 32 83.020 9.107 -12.424 1.00 1.00 O ATOM 471 CB GLN A 32 83.480 11.930 -10.257 1.00 1.00 C ATOM 472 CG GLN A 32 83.146 13.423 -10.235 1.00 1.00 C ATOM 473 CD GLN A 32 83.132 13.922 -8.789 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.294 13.149 -7.866 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.944 15.191 -8.551 1.00 1.00 N ATOM 0 H GLN A 32 81.150 11.606 -11.191 1.00 1.00 H new ATOM 0 HA GLN A 32 83.821 11.916 -12.384 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.873 11.400 -9.523 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.523 11.776 -9.980 1.00 1.00 H new ATOM 0 HG2 GLN A 32 83.882 13.980 -10.816 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.175 13.596 -10.700 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.808 15.840 -9.326 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.933 15.534 -7.590 1.00 1.00 H new ATOM 484 N ARG A 33 84.579 9.494 -10.923 1.00 1.00 N ATOM 485 CA ARG A 33 85.002 8.062 -10.916 1.00 1.00 C ATOM 486 C ARG A 33 85.323 7.634 -9.485 1.00 1.00 C ATOM 487 O ARG A 33 84.528 6.998 -8.822 1.00 1.00 O ATOM 488 CB ARG A 33 86.250 7.895 -11.787 1.00 1.00 C ATOM 489 CG ARG A 33 85.905 8.219 -13.242 1.00 1.00 C ATOM 490 CD ARG A 33 87.160 8.086 -14.107 1.00 1.00 C ATOM 491 NE ARG A 33 87.752 6.732 -13.917 1.00 1.00 N ATOM 492 CZ ARG A 33 87.212 5.696 -14.499 1.00 1.00 C ATOM 493 NH1 ARG A 33 86.153 5.847 -15.247 1.00 1.00 N ATOM 494 NH2 ARG A 33 87.731 4.510 -14.333 1.00 1.00 N ATOM 0 H ARG A 33 85.103 10.103 -10.295 1.00 1.00 H new ATOM 0 HA ARG A 33 84.196 7.443 -11.310 1.00 1.00 H new ATOM 0 HB2 ARG A 33 87.043 8.555 -11.435 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.626 6.875 -11.710 1.00 1.00 H new ATOM 0 HG2 ARG A 33 85.129 7.543 -13.602 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.506 9.231 -13.315 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.910 8.241 -15.156 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.885 8.853 -13.835 1.00 1.00 H new ATOM 0 HE ARG A 33 88.579 6.615 -13.332 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.748 6.774 -15.376 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.730 5.038 -15.702 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.559 4.393 -13.748 1.00 1.00 H new ATOM 0 HH22 ARG A 33 87.309 3.700 -14.788 1.00 1.00 H new ATOM 508 N GLN A 34 86.484 7.978 -9.010 1.00 1.00 N ATOM 509 CA GLN A 34 86.872 7.597 -7.622 1.00 1.00 C ATOM 510 C GLN A 34 86.885 6.072 -7.494 1.00 1.00 C ATOM 511 O GLN A 34 85.880 5.454 -7.204 1.00 1.00 O ATOM 512 CB GLN A 34 85.866 8.187 -6.629 1.00 1.00 C ATOM 513 CG GLN A 34 86.472 8.183 -5.224 1.00 1.00 C ATOM 514 CD GLN A 34 85.374 8.451 -4.193 1.00 1.00 C ATOM 515 OE1 GLN A 34 85.090 9.588 -3.873 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.739 7.445 -3.657 1.00 1.00 N ATOM 0 H GLN A 34 87.186 8.510 -9.524 1.00 1.00 H new ATOM 0 HA GLN A 34 87.866 7.986 -7.404 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.605 9.204 -6.921 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.944 7.606 -6.640 1.00 1.00 H new ATOM 0 HG2 GLN A 34 86.947 7.222 -5.024 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.249 8.944 -5.150 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.977 6.490 -3.925 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.004 7.613 -2.970 1.00 1.00 H new ATOM 525 N THR A 35 88.018 5.461 -7.707 1.00 1.00 N ATOM 526 CA THR A 35 88.101 3.977 -7.597 1.00 1.00 C ATOM 527 C THR A 35 89.567 3.548 -7.654 1.00 1.00 C ATOM 528 O THR A 35 90.043 3.055 -8.657 1.00 1.00 O ATOM 529 CB THR A 35 87.337 3.333 -8.755 1.00 1.00 C ATOM 530 OG1 THR A 35 87.876 2.045 -9.016 1.00 1.00 O ATOM 531 CG2 THR A 35 87.468 4.206 -10.004 1.00 1.00 C ATOM 0 H THR A 35 88.892 5.926 -7.953 1.00 1.00 H new ATOM 0 HA THR A 35 87.661 3.657 -6.652 1.00 1.00 H new ATOM 0 HB THR A 35 86.284 3.240 -8.489 1.00 1.00 H new ATOM 0 HG1 THR A 35 88.759 2.138 -9.432 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.923 3.746 -10.828 1.00 1.00 H new ATOM 0 HG22 THR A 35 87.054 5.194 -9.802 1.00 1.00 H new ATOM 0 HG23 THR A 35 88.520 4.301 -10.273 1.00 1.00 H new ATOM 539 N ARG A 36 90.287 3.733 -6.583 1.00 1.00 N ATOM 540 CA ARG A 36 91.723 3.340 -6.572 1.00 1.00 C ATOM 541 C ARG A 36 92.258 3.448 -5.142 1.00 1.00 C ATOM 542 O ARG A 36 93.451 3.430 -4.911 1.00 1.00 O ATOM 543 CB ARG A 36 92.511 4.278 -7.501 1.00 1.00 C ATOM 544 CG ARG A 36 93.511 3.464 -8.325 1.00 1.00 C ATOM 545 CD ARG A 36 94.174 4.369 -9.364 1.00 1.00 C ATOM 546 NE ARG A 36 95.428 3.730 -9.852 1.00 1.00 N ATOM 547 CZ ARG A 36 95.383 2.862 -10.825 1.00 1.00 C ATOM 548 NH1 ARG A 36 94.238 2.553 -11.371 1.00 1.00 N ATOM 549 NH2 ARG A 36 96.481 2.302 -11.252 1.00 1.00 N ATOM 0 H ARG A 36 89.942 4.140 -5.714 1.00 1.00 H new ATOM 0 HA ARG A 36 91.834 2.314 -6.922 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.827 4.810 -8.162 1.00 1.00 H new ATOM 0 HB3 ARG A 36 93.036 5.031 -6.914 1.00 1.00 H new ATOM 0 HG2 ARG A 36 94.267 3.028 -7.672 1.00 1.00 H new ATOM 0 HG3 ARG A 36 93.002 2.637 -8.820 1.00 1.00 H new ATOM 0 HD2 ARG A 36 93.494 4.543 -10.198 1.00 1.00 H new ATOM 0 HD3 ARG A 36 94.396 5.342 -8.926 1.00 1.00 H new ATOM 0 HE ARG A 36 96.322 3.971 -9.425 1.00 1.00 H new ATOM 0 HH11 ARG A 36 93.379 2.990 -11.037 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.202 1.874 -12.132 1.00 1.00 H new ATOM 0 HH21 ARG A 36 97.376 2.543 -10.825 1.00 1.00 H new ATOM 0 HH22 ARG A 36 96.445 1.623 -12.013 1.00 1.00 H new ATOM 563 N GLN A 37 91.379 3.560 -4.181 1.00 1.00 N ATOM 564 CA GLN A 37 91.827 3.671 -2.762 1.00 1.00 C ATOM 565 C GLN A 37 90.877 2.876 -1.863 1.00 1.00 C ATOM 566 O GLN A 37 89.978 2.208 -2.334 1.00 1.00 O ATOM 567 CB GLN A 37 91.819 5.142 -2.336 1.00 1.00 C ATOM 568 CG GLN A 37 92.447 5.998 -3.438 1.00 1.00 C ATOM 569 CD GLN A 37 91.435 6.199 -4.567 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.309 5.751 -4.477 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.790 6.860 -5.635 1.00 1.00 N ATOM 0 H GLN A 37 90.368 3.579 -4.318 1.00 1.00 H new ATOM 0 HA GLN A 37 92.837 3.271 -2.669 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.797 5.470 -2.144 1.00 1.00 H new ATOM 0 HB3 GLN A 37 92.373 5.265 -1.406 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.753 6.963 -3.034 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.345 5.514 -3.822 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.735 7.236 -5.711 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.122 7.000 -6.393 1.00 1.00 H new ATOM 580 N CYS A 38 91.071 2.946 -0.571 1.00 1.00 N ATOM 581 CA CYS A 38 90.186 2.198 0.370 1.00 1.00 C ATOM 582 C CYS A 38 89.887 0.808 -0.202 1.00 1.00 C ATOM 583 O CYS A 38 88.937 0.618 -0.934 1.00 1.00 O ATOM 584 CB CYS A 38 88.873 2.969 0.573 1.00 1.00 C ATOM 585 SG CYS A 38 88.865 4.437 -0.485 1.00 1.00 S ATOM 0 H CYS A 38 91.808 3.492 -0.126 1.00 1.00 H new ATOM 0 HA CYS A 38 90.690 2.092 1.331 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.023 2.330 0.333 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.768 3.260 1.618 1.00 1.00 H new ATOM 590 N LYS A 39 90.693 -0.164 0.129 1.00 1.00 N ATOM 591 CA LYS A 39 90.459 -1.541 -0.392 1.00 1.00 C ATOM 592 C LYS A 39 91.134 -2.550 0.541 1.00 1.00 C ATOM 593 O LYS A 39 90.894 -3.739 0.464 1.00 1.00 O ATOM 594 CB LYS A 39 91.050 -1.660 -1.806 1.00 1.00 C ATOM 595 CG LYS A 39 89.916 -1.735 -2.830 1.00 1.00 C ATOM 596 CD LYS A 39 90.490 -1.580 -4.240 1.00 1.00 C ATOM 597 CE LYS A 39 90.402 -0.115 -4.670 1.00 1.00 C ATOM 598 NZ LYS A 39 91.273 0.714 -3.790 1.00 1.00 N ATOM 0 H LYS A 39 91.505 -0.064 0.739 1.00 1.00 H new ATOM 0 HA LYS A 39 89.389 -1.745 -0.434 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.689 -0.803 -2.018 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.676 -2.549 -1.876 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.394 -2.688 -2.741 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.184 -0.951 -2.636 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.527 -1.914 -4.260 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.939 -2.209 -4.939 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.713 -0.011 -5.710 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.370 0.232 -4.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 91.569 1.570 -4.302 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 90.745 0.986 -2.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.113 0.165 -3.517 1.00 1.00 H new ATOM 612 N SER A 40 91.977 -2.082 1.423 1.00 1.00 N ATOM 613 CA SER A 40 92.673 -3.006 2.366 1.00 1.00 C ATOM 614 C SER A 40 92.718 -2.372 3.758 1.00 1.00 C ATOM 615 O SER A 40 93.470 -2.790 4.616 1.00 1.00 O ATOM 616 CB SER A 40 94.099 -3.257 1.874 1.00 1.00 C ATOM 617 OG SER A 40 94.717 -2.013 1.574 1.00 1.00 O ATOM 0 H SER A 40 92.214 -1.096 1.531 1.00 1.00 H new ATOM 0 HA SER A 40 92.134 -3.952 2.414 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.671 -3.786 2.636 1.00 1.00 H new ATOM 0 HB3 SER A 40 94.084 -3.892 0.988 1.00 1.00 H new ATOM 0 HG SER A 40 95.632 -2.170 1.260 1.00 1.00 H new ATOM 623 N LYS A 41 91.915 -1.366 3.988 1.00 1.00 N ATOM 624 CA LYS A 41 91.903 -0.698 5.324 1.00 1.00 C ATOM 625 C LYS A 41 90.448 -0.527 5.791 1.00 1.00 C ATOM 626 O LYS A 41 89.712 0.272 5.248 1.00 1.00 O ATOM 627 CB LYS A 41 92.573 0.678 5.211 1.00 1.00 C ATOM 628 CG LYS A 41 91.856 1.515 4.150 1.00 1.00 C ATOM 629 CD LYS A 41 92.805 2.592 3.621 1.00 1.00 C ATOM 630 CE LYS A 41 93.908 1.937 2.789 1.00 1.00 C ATOM 631 NZ LYS A 41 95.142 1.807 3.613 1.00 1.00 N ATOM 0 H LYS A 41 91.264 -0.977 3.306 1.00 1.00 H new ATOM 0 HA LYS A 41 92.448 -1.307 6.045 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.541 1.189 6.173 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.624 0.561 4.947 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.522 0.876 3.332 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.966 1.977 4.577 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.254 3.310 3.013 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.242 3.146 4.452 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.583 0.955 2.444 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.112 2.535 1.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 95.893 2.402 3.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 94.943 2.113 4.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.453 0.814 3.619 1.00 1.00 H new ATOM 645 N PRO A 42 90.026 -1.275 6.785 1.00 1.00 N ATOM 646 CA PRO A 42 88.634 -1.193 7.310 1.00 1.00 C ATOM 647 C PRO A 42 88.448 -0.021 8.284 1.00 1.00 C ATOM 648 O PRO A 42 89.402 0.495 8.831 1.00 1.00 O ATOM 649 CB PRO A 42 88.453 -2.529 8.030 1.00 1.00 C ATOM 650 CG PRO A 42 89.823 -2.901 8.498 1.00 1.00 C ATOM 651 CD PRO A 42 90.820 -2.278 7.513 1.00 1.00 C ATOM 0 HA PRO A 42 87.904 -1.019 6.519 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.761 -2.436 8.867 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.045 -3.286 7.361 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.998 -2.532 9.509 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.938 -3.984 8.530 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.661 -1.820 8.033 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.233 -3.027 6.837 1.00 1.00 H new ATOM 659 N PRO A 43 87.225 0.394 8.497 1.00 1.00 N ATOM 660 CA PRO A 43 86.906 1.523 9.420 1.00 1.00 C ATOM 661 C PRO A 43 87.049 1.126 10.894 1.00 1.00 C ATOM 662 O PRO A 43 87.099 -0.040 11.232 1.00 1.00 O ATOM 663 CB PRO A 43 85.449 1.856 9.089 1.00 1.00 C ATOM 664 CG PRO A 43 84.869 0.581 8.574 1.00 1.00 C ATOM 665 CD PRO A 43 86.011 -0.169 7.884 1.00 1.00 C ATOM 0 HA PRO A 43 87.586 2.364 9.286 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.913 2.205 9.972 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.385 2.648 8.343 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.452 -0.012 9.388 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.057 0.779 7.875 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.941 -1.244 8.050 1.00 1.00 H new ATOM 0 HD3 PRO A 43 85.998 -0.012 6.805 1.00 1.00 H new ATOM 673 N LYS A 44 87.114 2.090 11.771 1.00 1.00 N ATOM 674 CA LYS A 44 87.254 1.775 13.221 1.00 1.00 C ATOM 675 C LYS A 44 86.129 0.834 13.656 1.00 1.00 C ATOM 676 O LYS A 44 86.377 -0.210 14.221 1.00 1.00 O ATOM 677 CB LYS A 44 87.173 3.069 14.034 1.00 1.00 C ATOM 678 CG LYS A 44 88.305 4.009 13.614 1.00 1.00 C ATOM 679 CD LYS A 44 88.454 5.124 14.651 1.00 1.00 C ATOM 680 CE LYS A 44 89.417 4.673 15.751 1.00 1.00 C ATOM 681 NZ LYS A 44 90.795 4.569 15.194 1.00 1.00 N ATOM 0 H LYS A 44 87.076 3.084 11.546 1.00 1.00 H new ATOM 0 HA LYS A 44 88.216 1.293 13.393 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.208 3.551 13.875 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.247 2.847 15.099 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.239 3.454 13.525 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.093 4.436 12.634 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.828 6.030 14.175 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.482 5.367 15.081 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.400 5.384 16.577 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.102 3.710 16.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.138 3.593 15.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.783 4.827 14.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 91.427 5.214 15.709 1.00 1.00 H new ATOM 695 N LYS A 45 84.899 1.211 13.395 1.00 1.00 N ATOM 696 CA LYS A 45 83.714 0.372 13.780 1.00 1.00 C ATOM 697 C LYS A 45 83.098 0.923 15.066 1.00 1.00 C ATOM 698 O LYS A 45 83.794 1.275 15.998 1.00 1.00 O ATOM 699 CB LYS A 45 84.115 -1.092 14.006 1.00 1.00 C ATOM 700 CG LYS A 45 82.857 -1.942 14.195 1.00 1.00 C ATOM 701 CD LYS A 45 82.070 -1.989 12.884 1.00 1.00 C ATOM 702 CE LYS A 45 81.200 -3.247 12.855 1.00 1.00 C ATOM 703 NZ LYS A 45 82.071 -4.451 12.752 1.00 1.00 N ATOM 0 H LYS A 45 84.660 2.082 12.922 1.00 1.00 H new ATOM 0 HA LYS A 45 82.993 0.411 12.964 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.690 -1.458 13.155 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.757 -1.173 14.883 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.130 -2.951 14.504 1.00 1.00 H new ATOM 0 HG3 LYS A 45 82.238 -1.523 14.988 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.446 -1.100 12.790 1.00 1.00 H new ATOM 0 HD3 LYS A 45 82.755 -1.988 12.036 1.00 1.00 H new ATOM 0 HE2 LYS A 45 80.591 -3.302 13.757 1.00 1.00 H new ATOM 0 HE3 LYS A 45 80.514 -3.208 12.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.559 -5.209 12.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.933 -4.212 12.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.331 -4.774 13.706 1.00 1.00 H new ATOM 717 N GLY A 46 81.794 0.998 15.125 1.00 1.00 N ATOM 718 CA GLY A 46 81.125 1.522 16.352 1.00 1.00 C ATOM 719 C GLY A 46 80.701 2.974 16.126 1.00 1.00 C ATOM 720 O GLY A 46 81.525 3.841 15.914 1.00 1.00 O ATOM 0 H GLY A 46 81.162 0.718 14.375 1.00 1.00 H new ATOM 0 HA2 GLY A 46 80.254 0.912 16.592 1.00 1.00 H new ATOM 0 HA3 GLY A 46 81.803 1.459 17.203 1.00 1.00 H new ATOM 724 N VAL A 47 79.417 3.236 16.176 1.00 1.00 N ATOM 725 CA VAL A 47 78.896 4.627 15.972 1.00 1.00 C ATOM 726 C VAL A 47 79.936 5.496 15.254 1.00 1.00 C ATOM 727 O VAL A 47 80.398 6.491 15.776 1.00 1.00 O ATOM 728 CB VAL A 47 78.546 5.247 17.332 1.00 1.00 C ATOM 729 CG1 VAL A 47 77.679 4.272 18.131 1.00 1.00 C ATOM 730 CG2 VAL A 47 79.834 5.534 18.107 1.00 1.00 C ATOM 0 H VAL A 47 78.697 2.535 16.352 1.00 1.00 H new ATOM 0 HA VAL A 47 78.002 4.579 15.351 1.00 1.00 H new ATOM 0 HB VAL A 47 77.998 6.177 17.177 1.00 1.00 H new ATOM 0 HG11 VAL A 47 77.431 4.713 19.096 1.00 1.00 H new ATOM 0 HG12 VAL A 47 76.762 4.065 17.580 1.00 1.00 H new ATOM 0 HG13 VAL A 47 78.226 3.342 18.287 1.00 1.00 H new ATOM 0 HG21 VAL A 47 79.587 5.974 19.073 1.00 1.00 H new ATOM 0 HG22 VAL A 47 80.381 4.604 18.261 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.453 6.229 17.539 1.00 1.00 H new ATOM 740 N GLN A 48 80.304 5.127 14.058 1.00 1.00 N ATOM 741 CA GLN A 48 81.311 5.929 13.305 1.00 1.00 C ATOM 742 C GLN A 48 80.951 7.413 13.393 1.00 1.00 C ATOM 743 O GLN A 48 81.443 8.133 14.239 1.00 1.00 O ATOM 744 CB GLN A 48 81.317 5.491 11.839 1.00 1.00 C ATOM 745 CG GLN A 48 82.270 6.385 11.043 1.00 1.00 C ATOM 746 CD GLN A 48 82.493 5.784 9.654 1.00 1.00 C ATOM 747 OE1 GLN A 48 81.578 5.704 8.859 1.00 1.00 O ATOM 748 NE2 GLN A 48 83.681 5.354 9.325 1.00 1.00 N ATOM 0 H GLN A 48 79.951 4.304 13.569 1.00 1.00 H new ATOM 0 HA GLN A 48 82.299 5.770 13.736 1.00 1.00 H new ATOM 0 HB2 GLN A 48 81.628 4.449 11.761 1.00 1.00 H new ATOM 0 HB3 GLN A 48 80.311 5.555 11.425 1.00 1.00 H new ATOM 0 HG2 GLN A 48 81.855 7.389 10.954 1.00 1.00 H new ATOM 0 HG3 GLN A 48 83.221 6.479 11.567 1.00 1.00 H new ATOM 0 HE21 GLN A 48 84.450 5.421 9.992 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.840 4.951 8.401 1.00 1.00 H new ATOM 757 N GLY A 49 80.096 7.878 12.522 1.00 1.00 N ATOM 758 CA GLY A 49 79.702 9.317 12.551 1.00 1.00 C ATOM 759 C GLY A 49 79.493 9.813 11.121 1.00 1.00 C ATOM 760 O GLY A 49 80.283 10.572 10.595 1.00 1.00 O ATOM 0 H GLY A 49 79.653 7.323 11.790 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.787 9.444 13.129 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.475 9.907 13.044 1.00 1.00 H new ATOM 764 N CYS A 50 78.436 9.389 10.485 1.00 1.00 N ATOM 765 CA CYS A 50 78.179 9.834 9.087 1.00 1.00 C ATOM 766 C CYS A 50 76.923 9.138 8.555 1.00 1.00 C ATOM 767 O CYS A 50 76.282 9.611 7.638 1.00 1.00 O ATOM 768 CB CYS A 50 79.381 9.470 8.209 1.00 1.00 C ATOM 769 SG CYS A 50 80.371 10.952 7.896 1.00 1.00 S ATOM 0 H CYS A 50 77.739 8.753 10.873 1.00 1.00 H new ATOM 0 HA CYS A 50 78.030 10.914 9.067 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.989 8.711 8.702 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.040 9.042 7.266 1.00 1.00 H new ATOM 774 N GLY A 51 76.571 8.015 9.125 1.00 1.00 N ATOM 775 CA GLY A 51 75.359 7.278 8.656 1.00 1.00 C ATOM 776 C GLY A 51 74.298 7.278 9.758 1.00 1.00 C ATOM 777 O GLY A 51 73.537 6.341 9.899 1.00 1.00 O ATOM 0 H GLY A 51 77.072 7.575 9.897 1.00 1.00 H new ATOM 0 HA2 GLY A 51 74.962 7.747 7.756 1.00 1.00 H new ATOM 0 HA3 GLY A 51 75.623 6.254 8.392 1.00 1.00 H new ATOM 781 N ASP A 52 74.239 8.320 10.541 1.00 1.00 N ATOM 782 CA ASP A 52 73.224 8.374 11.631 1.00 1.00 C ATOM 783 C ASP A 52 73.214 9.771 12.255 1.00 1.00 C ATOM 784 O ASP A 52 72.950 9.935 13.429 1.00 1.00 O ATOM 785 CB ASP A 52 73.571 7.339 12.703 1.00 1.00 C ATOM 786 CG ASP A 52 72.356 7.108 13.603 1.00 1.00 C ATOM 787 OD1 ASP A 52 71.503 7.980 13.650 1.00 1.00 O ATOM 788 OD2 ASP A 52 72.298 6.063 14.230 1.00 1.00 O ATOM 0 H ASP A 52 74.849 9.135 10.473 1.00 1.00 H new ATOM 0 HA ASP A 52 72.239 8.155 11.219 1.00 1.00 H new ATOM 0 HB2 ASP A 52 73.873 6.402 12.235 1.00 1.00 H new ATOM 0 HB3 ASP A 52 74.416 7.685 13.298 1.00 1.00 H new ATOM 793 N ASP A 53 73.498 10.781 11.478 1.00 1.00 N ATOM 794 CA ASP A 53 73.504 12.167 12.029 1.00 1.00 C ATOM 795 C ASP A 53 73.269 13.167 10.895 1.00 1.00 C ATOM 796 O ASP A 53 72.189 13.702 10.742 1.00 1.00 O ATOM 797 CB ASP A 53 74.856 12.448 12.688 1.00 1.00 C ATOM 798 CG ASP A 53 74.757 13.717 13.537 1.00 1.00 C ATOM 799 OD1 ASP A 53 73.921 13.747 14.426 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.518 14.636 13.285 1.00 1.00 O ATOM 0 H ASP A 53 73.726 10.707 10.487 1.00 1.00 H new ATOM 0 HA ASP A 53 72.712 12.267 12.771 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.151 11.603 13.311 1.00 1.00 H new ATOM 0 HB3 ASP A 53 75.626 12.567 11.926 1.00 1.00 H new ATOM 805 N ILE A 54 74.273 13.420 10.096 1.00 1.00 N ATOM 806 CA ILE A 54 74.116 14.383 8.966 1.00 1.00 C ATOM 807 C ILE A 54 74.623 13.731 7.676 1.00 1.00 C ATOM 808 O ILE A 54 75.726 13.986 7.236 1.00 1.00 O ATOM 809 CB ILE A 54 74.936 15.642 9.255 1.00 1.00 C ATOM 810 CG1 ILE A 54 74.472 16.259 10.576 1.00 1.00 C ATOM 811 CG2 ILE A 54 74.737 16.653 8.124 1.00 1.00 C ATOM 812 CD1 ILE A 54 75.496 17.294 11.044 1.00 1.00 C ATOM 0 H ILE A 54 75.199 12.999 10.178 1.00 1.00 H new ATOM 0 HA ILE A 54 73.065 14.651 8.854 1.00 1.00 H new ATOM 0 HB ILE A 54 75.992 15.379 9.325 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.497 16.729 10.447 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.354 15.482 11.331 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.321 17.550 8.330 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.066 16.214 7.182 1.00 1.00 H new ATOM 0 HG23 ILE A 54 73.682 16.916 8.053 1.00 1.00 H new ATOM 0 HD11 ILE A 54 75.165 17.733 11.985 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.462 16.810 11.189 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.592 18.077 10.292 1.00 1.00 H new ATOM 824 N PRO A 55 73.820 12.890 7.079 1.00 1.00 N ATOM 825 CA PRO A 55 74.181 12.179 5.824 1.00 1.00 C ATOM 826 C PRO A 55 73.890 13.015 4.573 1.00 1.00 C ATOM 827 O PRO A 55 72.771 13.424 4.335 1.00 1.00 O ATOM 828 CB PRO A 55 73.285 10.943 5.866 1.00 1.00 C ATOM 829 CG PRO A 55 72.055 11.384 6.591 1.00 1.00 C ATOM 830 CD PRO A 55 72.472 12.516 7.537 1.00 1.00 C ATOM 0 HA PRO A 55 75.246 11.955 5.766 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.047 10.593 4.861 1.00 1.00 H new ATOM 0 HB3 PRO A 55 73.774 10.118 6.384 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.296 11.729 5.888 1.00 1.00 H new ATOM 0 HG3 PRO A 55 71.619 10.556 7.150 1.00 1.00 H new ATOM 0 HD2 PRO A 55 71.783 13.359 7.478 1.00 1.00 H new ATOM 0 HD3 PRO A 55 72.482 12.184 8.575 1.00 1.00 H new ATOM 838 N GLY A 56 74.890 13.269 3.773 1.00 1.00 N ATOM 839 CA GLY A 56 74.673 14.076 2.537 1.00 1.00 C ATOM 840 C GLY A 56 73.821 15.303 2.867 1.00 1.00 C ATOM 841 O GLY A 56 73.089 15.803 2.037 1.00 1.00 O ATOM 0 H GLY A 56 75.848 12.953 3.922 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.631 14.388 2.121 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.178 13.471 1.778 1.00 1.00 H new ATOM 845 N MET A 57 73.909 15.790 4.074 1.00 1.00 N ATOM 846 CA MET A 57 73.103 16.984 4.457 1.00 1.00 C ATOM 847 C MET A 57 71.631 16.731 4.125 1.00 1.00 C ATOM 848 O MET A 57 70.945 17.589 3.607 1.00 1.00 O ATOM 849 CB MET A 57 73.599 18.206 3.679 1.00 1.00 C ATOM 850 CG MET A 57 75.089 18.418 3.954 1.00 1.00 C ATOM 851 SD MET A 57 75.298 19.211 5.567 1.00 1.00 S ATOM 852 CE MET A 57 75.185 20.924 4.994 1.00 1.00 C ATOM 0 H MET A 57 74.504 15.413 4.812 1.00 1.00 H new ATOM 0 HA MET A 57 73.209 17.167 5.526 1.00 1.00 H new ATOM 0 HB2 MET A 57 73.433 18.062 2.611 1.00 1.00 H new ATOM 0 HB3 MET A 57 73.035 19.091 3.973 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.613 17.462 3.936 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.529 19.037 3.173 1.00 1.00 H new ATOM 0 HE1 MET A 57 75.290 21.599 5.843 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.980 21.120 4.274 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.217 21.086 4.519 1.00 1.00 H new ATOM 862 N GLU A 58 71.141 15.557 4.419 1.00 1.00 N ATOM 863 CA GLU A 58 69.714 15.249 4.119 1.00 1.00 C ATOM 864 C GLU A 58 69.438 15.508 2.636 1.00 1.00 C ATOM 865 O GLU A 58 69.263 16.634 2.215 1.00 1.00 O ATOM 866 CB GLU A 58 68.808 16.141 4.976 1.00 1.00 C ATOM 867 CG GLU A 58 67.442 15.473 5.141 1.00 1.00 C ATOM 868 CD GLU A 58 66.819 15.236 3.764 1.00 1.00 C ATOM 869 OE1 GLU A 58 66.777 16.174 2.986 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.393 14.121 3.512 1.00 1.00 O ATOM 0 H GLU A 58 71.667 14.799 4.854 1.00 1.00 H new ATOM 0 HA GLU A 58 69.510 14.203 4.347 1.00 1.00 H new ATOM 0 HB2 GLU A 58 69.263 16.308 5.952 1.00 1.00 H new ATOM 0 HB3 GLU A 58 68.693 17.118 4.507 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.550 14.526 5.671 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.788 16.103 5.744 1.00 1.00 H new ATOM 877 N GLY A 59 69.399 14.473 1.841 1.00 1.00 N ATOM 878 CA GLY A 59 69.135 14.657 0.385 1.00 1.00 C ATOM 879 C GLY A 59 69.896 13.592 -0.407 1.00 1.00 C ATOM 880 O GLY A 59 69.572 12.422 -0.361 1.00 1.00 O ATOM 0 H GLY A 59 69.539 13.507 2.137 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.066 14.580 0.185 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.447 15.653 0.070 1.00 1.00 H new ATOM 884 N CYS A 60 70.907 13.987 -1.132 1.00 1.00 N ATOM 885 CA CYS A 60 71.687 12.995 -1.924 1.00 1.00 C ATOM 886 C CYS A 60 70.726 12.085 -2.692 1.00 1.00 C ATOM 887 O CYS A 60 70.291 12.402 -3.780 1.00 1.00 O ATOM 888 CB CYS A 60 72.544 12.151 -0.979 1.00 1.00 C ATOM 889 SG CYS A 60 73.214 10.730 -1.879 1.00 1.00 S ATOM 0 H CYS A 60 71.226 14.953 -1.210 1.00 1.00 H new ATOM 0 HA CYS A 60 72.332 13.519 -2.630 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.356 12.753 -0.572 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.945 11.811 -0.134 1.00 1.00 H new ATOM 894 N GLY A 61 70.391 10.953 -2.131 1.00 1.00 N ATOM 895 CA GLY A 61 69.458 10.020 -2.827 1.00 1.00 C ATOM 896 C GLY A 61 68.603 9.287 -1.791 1.00 1.00 C ATOM 897 O GLY A 61 68.610 8.075 -1.711 1.00 1.00 O ATOM 0 H GLY A 61 70.723 10.635 -1.221 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.819 10.574 -3.515 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.022 9.302 -3.423 1.00 1.00 H new ATOM 901 N THR A 62 67.866 10.014 -0.995 1.00 1.00 N ATOM 902 CA THR A 62 67.012 9.359 0.036 1.00 1.00 C ATOM 903 C THR A 62 66.149 8.281 -0.623 1.00 1.00 C ATOM 904 O THR A 62 65.042 8.537 -1.054 1.00 1.00 O ATOM 905 CB THR A 62 66.106 10.408 0.686 1.00 1.00 C ATOM 906 OG1 THR A 62 65.008 9.760 1.312 1.00 1.00 O ATOM 907 CG2 THR A 62 65.590 11.373 -0.383 1.00 1.00 C ATOM 0 H THR A 62 67.819 11.033 -1.014 1.00 1.00 H new ATOM 0 HA THR A 62 67.646 8.902 0.795 1.00 1.00 H new ATOM 0 HB THR A 62 66.672 10.966 1.432 1.00 1.00 H new ATOM 0 HG1 THR A 62 64.456 9.321 0.632 1.00 1.00 H new ATOM 0 HG21 THR A 62 64.945 12.119 0.081 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.433 11.870 -0.862 1.00 1.00 H new ATOM 0 HG23 THR A 62 65.023 10.818 -1.131 1.00 1.00 H new ATOM 915 N ASP A 63 66.642 7.076 -0.705 1.00 1.00 N ATOM 916 CA ASP A 63 65.841 5.992 -1.338 1.00 1.00 C ATOM 917 C ASP A 63 64.653 5.644 -0.435 1.00 1.00 C ATOM 918 O ASP A 63 63.598 5.272 -0.907 1.00 1.00 O ATOM 919 CB ASP A 63 66.722 4.753 -1.544 1.00 1.00 C ATOM 920 CG ASP A 63 66.247 3.988 -2.781 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.398 3.125 -2.630 1.00 1.00 O ATOM 922 OD2 ASP A 63 66.741 4.278 -3.858 1.00 1.00 O ATOM 0 H ASP A 63 67.561 6.796 -0.362 1.00 1.00 H new ATOM 0 HA ASP A 63 65.471 6.329 -2.306 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.764 5.051 -1.665 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.674 4.110 -0.665 1.00 1.00 H new ATOM 927 N ILE A 64 64.811 5.773 0.861 1.00 1.00 N ATOM 928 CA ILE A 64 63.681 5.459 1.788 1.00 1.00 C ATOM 929 C ILE A 64 63.257 6.742 2.514 1.00 1.00 C ATOM 930 O ILE A 64 62.091 7.072 2.589 1.00 1.00 O ATOM 931 CB ILE A 64 64.108 4.368 2.798 1.00 1.00 C ATOM 932 CG1 ILE A 64 63.084 3.230 2.780 1.00 1.00 C ATOM 933 CG2 ILE A 64 64.175 4.969 4.203 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.541 2.117 3.725 1.00 1.00 C ATOM 0 H ILE A 64 65.671 6.081 1.314 1.00 1.00 H new ATOM 0 HA ILE A 64 62.833 5.076 1.220 1.00 1.00 H new ATOM 0 HB ILE A 64 65.089 3.982 2.522 1.00 1.00 H new ATOM 0 HG12 ILE A 64 62.106 3.602 3.085 1.00 1.00 H new ATOM 0 HG13 ILE A 64 62.975 2.840 1.768 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.476 4.199 4.914 1.00 1.00 H new ATOM 0 HG22 ILE A 64 64.902 5.781 4.217 1.00 1.00 H new ATOM 0 HG23 ILE A 64 63.194 5.356 4.480 1.00 1.00 H new ATOM 0 HD11 ILE A 64 62.812 1.307 3.712 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.510 1.738 3.400 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.627 2.512 4.737 1.00 1.00 H new ATOM 946 N THR A 65 64.203 7.460 3.048 1.00 1.00 N ATOM 947 CA THR A 65 63.885 8.722 3.775 1.00 1.00 C ATOM 948 C THR A 65 65.202 9.414 4.119 1.00 1.00 C ATOM 949 O THR A 65 65.232 10.439 4.766 1.00 1.00 O ATOM 950 CB THR A 65 63.120 8.394 5.064 1.00 1.00 C ATOM 951 OG1 THR A 65 61.817 7.935 4.735 1.00 1.00 O ATOM 952 CG2 THR A 65 63.017 9.649 5.932 1.00 1.00 C ATOM 0 H THR A 65 65.195 7.225 3.012 1.00 1.00 H new ATOM 0 HA THR A 65 63.267 9.372 3.156 1.00 1.00 H new ATOM 0 HB THR A 65 63.651 7.617 5.615 1.00 1.00 H new ATOM 0 HG1 THR A 65 61.716 7.909 3.761 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.473 9.415 6.847 1.00 1.00 H new ATOM 0 HG22 THR A 65 64.018 10.000 6.184 1.00 1.00 H new ATOM 0 HG23 THR A 65 62.486 10.428 5.384 1.00 1.00 H new ATOM 960 N VAL A 66 66.284 8.829 3.678 1.00 1.00 N ATOM 961 CA VAL A 66 67.652 9.372 3.933 1.00 1.00 C ATOM 962 C VAL A 66 68.616 8.186 3.868 1.00 1.00 C ATOM 963 O VAL A 66 69.433 8.084 2.975 1.00 1.00 O ATOM 964 CB VAL A 66 67.725 10.053 5.318 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.124 9.864 5.908 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.436 11.548 5.165 1.00 1.00 C ATOM 0 H VAL A 66 66.275 7.967 3.133 1.00 1.00 H new ATOM 0 HA VAL A 66 67.910 10.129 3.192 1.00 1.00 H new ATOM 0 HB VAL A 66 66.987 9.604 5.983 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.175 10.345 6.885 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.333 8.800 6.016 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.863 10.313 5.244 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.487 12.030 6.141 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.175 11.995 4.500 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.440 11.685 4.744 1.00 1.00 H new ATOM 976 N ILE A 67 68.502 7.272 4.796 1.00 1.00 N ATOM 977 CA ILE A 67 69.383 6.070 4.781 1.00 1.00 C ATOM 978 C ILE A 67 68.544 4.826 5.081 1.00 1.00 C ATOM 979 O ILE A 67 68.212 4.552 6.218 1.00 1.00 O ATOM 980 CB ILE A 67 70.487 6.206 5.835 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.569 7.157 5.318 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.105 4.833 6.108 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.540 7.491 6.453 1.00 1.00 C ATOM 0 H ILE A 67 67.834 7.308 5.566 1.00 1.00 H new ATOM 0 HA ILE A 67 69.844 5.979 3.797 1.00 1.00 H new ATOM 0 HB ILE A 67 70.062 6.603 6.757 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.107 6.697 4.489 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.113 8.070 4.935 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.890 4.930 6.858 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.335 4.154 6.475 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.530 4.436 5.186 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.311 8.168 6.085 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.996 7.969 7.268 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.005 6.574 6.815 1.00 1.00 H new ATOM 995 N CYS A 68 68.200 4.067 4.080 1.00 1.00 N ATOM 996 CA CYS A 68 67.390 2.843 4.327 1.00 1.00 C ATOM 997 C CYS A 68 68.188 1.885 5.225 1.00 1.00 C ATOM 998 O CYS A 68 69.295 1.504 4.906 1.00 1.00 O ATOM 999 CB CYS A 68 67.080 2.154 2.990 1.00 1.00 C ATOM 1000 SG CYS A 68 67.535 3.249 1.623 1.00 1.00 S ATOM 0 H CYS A 68 68.443 4.240 3.105 1.00 1.00 H new ATOM 0 HA CYS A 68 66.455 3.114 4.818 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.630 1.216 2.917 1.00 1.00 H new ATOM 0 HB3 CYS A 68 66.020 1.907 2.934 1.00 1.00 H new ATOM 1005 N PRO A 69 67.646 1.501 6.357 1.00 1.00 N ATOM 1006 CA PRO A 69 68.351 0.586 7.302 1.00 1.00 C ATOM 1007 C PRO A 69 68.376 -0.866 6.812 1.00 1.00 C ATOM 1008 O PRO A 69 68.984 -1.722 7.422 1.00 1.00 O ATOM 1009 CB PRO A 69 67.541 0.705 8.595 1.00 1.00 C ATOM 1010 CG PRO A 69 66.166 1.092 8.158 1.00 1.00 C ATOM 1011 CD PRO A 69 66.318 1.889 6.859 1.00 1.00 C ATOM 0 HA PRO A 69 69.400 0.859 7.417 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.530 -0.238 9.142 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.969 1.455 9.261 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.549 0.208 7.998 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.672 1.691 8.923 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.533 1.641 6.144 1.00 1.00 H new ATOM 0 HD3 PRO A 69 66.257 2.962 7.040 1.00 1.00 H new ATOM 1019 N TRP A 70 67.722 -1.154 5.720 1.00 1.00 N ATOM 1020 CA TRP A 70 67.718 -2.554 5.210 1.00 1.00 C ATOM 1021 C TRP A 70 69.025 -2.823 4.450 1.00 1.00 C ATOM 1022 O TRP A 70 69.281 -3.926 4.012 1.00 1.00 O ATOM 1023 CB TRP A 70 66.475 -2.766 4.317 1.00 1.00 C ATOM 1024 CG TRP A 70 66.897 -3.011 2.904 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.482 -4.144 2.453 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.778 -2.126 1.752 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.730 -4.013 1.100 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.315 -2.787 0.620 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.263 -0.829 1.580 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.338 -2.179 -0.638 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.285 -0.217 0.318 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.821 -0.889 -0.789 1.00 1.00 C ATOM 0 H TRP A 70 67.193 -0.484 5.162 1.00 1.00 H new ATOM 0 HA TRP A 70 67.662 -3.263 6.036 1.00 1.00 H new ATOM 0 HB2 TRP A 70 65.894 -3.612 4.684 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.828 -1.890 4.365 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.717 -5.011 3.053 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.167 -4.734 0.526 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.848 -0.300 2.425 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.752 -2.702 -1.487 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.886 0.779 0.198 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.835 -0.411 -1.757 1.00 1.00 H new ATOM 1043 N GLU A 71 69.869 -1.828 4.311 1.00 1.00 N ATOM 1044 CA GLU A 71 71.166 -2.041 3.598 1.00 1.00 C ATOM 1045 C GLU A 71 72.303 -1.409 4.403 1.00 1.00 C ATOM 1046 O GLU A 71 73.466 -1.614 4.116 1.00 1.00 O ATOM 1047 CB GLU A 71 71.109 -1.392 2.214 1.00 1.00 C ATOM 1048 CG GLU A 71 69.731 -1.631 1.595 1.00 1.00 C ATOM 1049 CD GLU A 71 69.776 -1.296 0.102 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.355 -2.071 -0.641 1.00 1.00 O ATOM 1051 OE2 GLU A 71 69.231 -0.271 -0.271 1.00 1.00 O ATOM 0 H GLU A 71 69.716 -0.882 4.659 1.00 1.00 H new ATOM 0 HA GLU A 71 71.342 -3.111 3.491 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.303 -0.322 2.294 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.885 -1.810 1.573 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.432 -2.670 1.736 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.984 -1.014 2.095 1.00 1.00 H new ATOM 1058 N ALA A 72 71.980 -0.641 5.407 1.00 1.00 N ATOM 1059 CA ALA A 72 73.049 0.000 6.223 1.00 1.00 C ATOM 1060 C ALA A 72 73.976 -1.079 6.783 1.00 1.00 C ATOM 1061 O ALA A 72 73.839 -2.247 6.478 1.00 1.00 O ATOM 1062 CB ALA A 72 72.413 0.775 7.379 1.00 1.00 C ATOM 0 H ALA A 72 71.025 -0.430 5.697 1.00 1.00 H new ATOM 0 HA ALA A 72 73.622 0.685 5.598 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.195 1.244 7.976 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.750 1.543 6.981 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.840 0.090 8.004 1.00 1.00 H new ATOM 1068 N CYS A 73 74.918 -0.700 7.603 1.00 1.00 N ATOM 1069 CA CYS A 73 75.849 -1.709 8.182 1.00 1.00 C ATOM 1070 C CYS A 73 75.166 -2.411 9.358 1.00 1.00 C ATOM 1071 O CYS A 73 75.793 -2.745 10.344 1.00 1.00 O ATOM 1072 CB CYS A 73 77.123 -1.014 8.670 1.00 1.00 C ATOM 1073 SG CYS A 73 76.686 0.519 9.527 1.00 1.00 S ATOM 0 H CYS A 73 75.083 0.263 7.896 1.00 1.00 H new ATOM 0 HA CYS A 73 76.110 -2.443 7.420 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.675 -1.673 9.340 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.777 -0.797 7.826 1.00 1.00 H new ATOM 1078 N ASN A 74 73.885 -2.637 9.259 1.00 1.00 N ATOM 1079 CA ASN A 74 73.156 -3.316 10.367 1.00 1.00 C ATOM 1080 C ASN A 74 73.873 -4.617 10.729 1.00 1.00 C ATOM 1081 O ASN A 74 73.858 -5.050 11.864 1.00 1.00 O ATOM 1082 CB ASN A 74 71.729 -3.631 9.914 1.00 1.00 C ATOM 1083 CG ASN A 74 70.991 -4.376 11.028 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.382 -4.316 12.177 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.933 -5.080 10.736 1.00 1.00 N ATOM 0 H ASN A 74 73.310 -2.380 8.456 1.00 1.00 H new ATOM 0 HA ASN A 74 73.128 -2.663 11.239 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.202 -2.709 9.668 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.749 -4.237 9.008 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.434 -5.580 11.472 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.604 -5.131 9.772 1.00 1.00 H new ATOM 1092 N HIS A 75 74.499 -5.246 9.773 1.00 1.00 N ATOM 1093 CA HIS A 75 75.214 -6.520 10.063 1.00 1.00 C ATOM 1094 C HIS A 75 75.941 -6.992 8.802 1.00 1.00 C ATOM 1095 O HIS A 75 75.708 -8.076 8.306 1.00 1.00 O ATOM 1096 CB HIS A 75 74.202 -7.581 10.501 1.00 1.00 C ATOM 1097 CG HIS A 75 72.977 -7.494 9.633 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.745 -7.982 10.042 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.778 -6.978 8.375 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.866 -7.753 9.050 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.445 -7.144 8.013 1.00 1.00 N ATOM 0 H HIS A 75 74.546 -4.933 8.803 1.00 1.00 H new ATOM 0 HA HIS A 75 75.939 -6.361 10.861 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.645 -8.574 10.425 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.932 -7.431 11.546 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.538 -6.516 7.763 1.00 1.00 H new ATOM 0 HE1 HIS A 75 69.822 -8.028 9.088 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.003 -6.860 7.139 1.00 1.00 H new ATOM 1110 N CYS A 76 76.820 -6.182 8.279 1.00 1.00 N ATOM 1111 CA CYS A 76 77.564 -6.576 7.050 1.00 1.00 C ATOM 1112 C CYS A 76 78.181 -7.964 7.247 1.00 1.00 C ATOM 1113 O CYS A 76 79.300 -8.097 7.701 1.00 1.00 O ATOM 1114 CB CYS A 76 78.672 -5.556 6.779 1.00 1.00 C ATOM 1115 SG CYS A 76 79.851 -6.247 5.592 1.00 1.00 S ATOM 0 H CYS A 76 77.055 -5.262 8.651 1.00 1.00 H new ATOM 0 HA CYS A 76 76.879 -6.603 6.202 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.244 -4.633 6.387 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.182 -5.301 7.708 1.00 1.00 H new ATOM 1120 N GLU A 77 77.462 -8.999 6.903 1.00 1.00 N ATOM 1121 CA GLU A 77 78.013 -10.375 7.066 1.00 1.00 C ATOM 1122 C GLU A 77 79.338 -10.478 6.309 1.00 1.00 C ATOM 1123 O GLU A 77 79.511 -9.888 5.261 1.00 1.00 O ATOM 1124 CB GLU A 77 77.016 -11.390 6.504 1.00 1.00 C ATOM 1125 CG GLU A 77 75.723 -11.340 7.320 1.00 1.00 C ATOM 1126 CD GLU A 77 74.628 -12.120 6.591 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.931 -12.715 5.570 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.504 -12.110 7.066 1.00 1.00 O ATOM 0 H GLU A 77 76.519 -8.951 6.517 1.00 1.00 H new ATOM 0 HA GLU A 77 78.181 -10.584 8.122 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.807 -11.169 5.457 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.442 -12.393 6.539 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.889 -11.765 8.310 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.412 -10.305 7.465 1.00 1.00 H new ATOM 1135 N LEU A 78 80.280 -11.213 6.834 1.00 1.00 N ATOM 1136 CA LEU A 78 81.593 -11.335 6.143 1.00 1.00 C ATOM 1137 C LEU A 78 82.120 -9.930 5.840 1.00 1.00 C ATOM 1138 O LEU A 78 81.574 -8.947 6.300 1.00 1.00 O ATOM 1139 CB LEU A 78 81.415 -12.124 4.839 1.00 1.00 C ATOM 1140 CG LEU A 78 81.539 -13.621 5.127 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.479 -14.035 6.150 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.329 -14.407 3.831 1.00 1.00 C ATOM 0 H LEU A 78 80.197 -11.732 7.708 1.00 1.00 H new ATOM 0 HA LEU A 78 82.304 -11.863 6.778 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.441 -11.907 4.400 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.167 -11.819 4.112 1.00 1.00 H new ATOM 0 HG LEU A 78 82.531 -13.833 5.526 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.568 -15.102 6.355 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.626 -13.475 7.073 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.487 -13.824 5.752 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.417 -15.474 4.034 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.337 -14.194 3.433 1.00 1.00 H new ATOM 0 HD23 LEU A 78 82.083 -14.113 3.101 1.00 1.00 H new ATOM 1154 N HIS A 79 83.175 -9.818 5.079 1.00 1.00 N ATOM 1155 CA HIS A 79 83.716 -8.463 4.770 1.00 1.00 C ATOM 1156 C HIS A 79 84.475 -8.493 3.441 1.00 1.00 C ATOM 1157 O HIS A 79 84.395 -9.447 2.692 1.00 1.00 O ATOM 1158 CB HIS A 79 84.651 -8.020 5.903 1.00 1.00 C ATOM 1159 CG HIS A 79 85.991 -8.682 5.739 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.157 -7.955 5.548 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.368 -10.004 5.736 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.171 -8.832 5.439 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.744 -10.092 5.546 1.00 1.00 N ATOM 0 H HIS A 79 83.682 -10.598 4.661 1.00 1.00 H new ATOM 0 HA HIS A 79 82.893 -7.754 4.684 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.766 -6.936 5.891 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.219 -8.284 6.868 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.700 -10.844 5.862 1.00 1.00 H new ATOM 0 HE1 HIS A 79 89.202 -8.552 5.284 1.00 1.00 H new ATOM 0 HE2 HIS A 79 88.308 -10.941 5.499 1.00 1.00 H new ATOM 1172 N GLU A 80 85.206 -7.454 3.140 1.00 1.00 N ATOM 1173 CA GLU A 80 85.961 -7.426 1.856 1.00 1.00 C ATOM 1174 C GLU A 80 84.965 -7.318 0.696 1.00 1.00 C ATOM 1175 O GLU A 80 83.864 -6.833 0.858 1.00 1.00 O ATOM 1176 CB GLU A 80 86.778 -8.720 1.721 1.00 1.00 C ATOM 1177 CG GLU A 80 88.155 -8.399 1.136 1.00 1.00 C ATOM 1178 CD GLU A 80 88.936 -9.697 0.926 1.00 1.00 C ATOM 1179 OE1 GLU A 80 88.728 -10.621 1.695 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.730 -9.745 0.001 1.00 1.00 O ATOM 0 H GLU A 80 85.313 -6.626 3.726 1.00 1.00 H new ATOM 0 HA GLU A 80 86.637 -6.571 1.837 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.888 -9.196 2.695 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.254 -9.427 1.078 1.00 1.00 H new ATOM 0 HG2 GLU A 80 88.045 -7.871 0.189 1.00 1.00 H new ATOM 0 HG3 GLU A 80 88.702 -7.738 1.808 1.00 1.00 H new ATOM 1187 N LEU A 81 85.337 -7.777 -0.469 1.00 1.00 N ATOM 1188 CA LEU A 81 84.405 -7.714 -1.631 1.00 1.00 C ATOM 1189 C LEU A 81 83.680 -9.055 -1.756 1.00 1.00 C ATOM 1190 O LEU A 81 83.157 -9.397 -2.796 1.00 1.00 O ATOM 1191 CB LEU A 81 85.197 -7.442 -2.916 1.00 1.00 C ATOM 1192 CG LEU A 81 85.452 -5.940 -3.054 1.00 1.00 C ATOM 1193 CD1 LEU A 81 84.137 -5.224 -3.365 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.028 -5.400 -1.743 1.00 1.00 C ATOM 0 H LEU A 81 86.247 -8.193 -0.666 1.00 1.00 H new ATOM 0 HA LEU A 81 83.683 -6.912 -1.479 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.144 -7.981 -2.892 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.643 -7.808 -3.781 1.00 1.00 H new ATOM 0 HG LEU A 81 86.160 -5.765 -3.864 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.320 -4.154 -3.463 1.00 1.00 H new ATOM 0 HD12 LEU A 81 83.725 -5.609 -4.298 1.00 1.00 H new ATOM 0 HD13 LEU A 81 83.428 -5.398 -2.556 1.00 1.00 H new ATOM 0 HD21 LEU A 81 86.210 -4.330 -1.839 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.319 -5.576 -0.934 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.966 -5.909 -1.520 1.00 1.00 H new ATOM 1206 N ALA A 82 83.653 -9.820 -0.699 1.00 1.00 N ATOM 1207 CA ALA A 82 82.970 -11.145 -0.748 1.00 1.00 C ATOM 1208 C ALA A 82 81.461 -10.948 -0.906 1.00 1.00 C ATOM 1209 O ALA A 82 80.997 -10.452 -1.911 1.00 1.00 O ATOM 1210 CB ALA A 82 83.251 -11.912 0.545 1.00 1.00 C ATOM 0 H ALA A 82 84.075 -9.584 0.199 1.00 1.00 H new ATOM 0 HA ALA A 82 83.348 -11.711 -1.599 1.00 1.00 H new ATOM 0 HB1 ALA A 82 82.752 -12.880 0.509 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.325 -12.061 0.653 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.876 -11.342 1.395 1.00 1.00 H new ATOM 1216 N GLN A 83 80.694 -11.341 0.078 1.00 1.00 N ATOM 1217 CA GLN A 83 79.215 -11.185 -0.017 1.00 1.00 C ATOM 1218 C GLN A 83 78.697 -12.035 -1.181 1.00 1.00 C ATOM 1219 O GLN A 83 79.160 -13.136 -1.406 1.00 1.00 O ATOM 1220 CB GLN A 83 78.863 -9.711 -0.251 1.00 1.00 C ATOM 1221 CG GLN A 83 79.586 -8.841 0.779 1.00 1.00 C ATOM 1222 CD GLN A 83 79.662 -7.401 0.269 1.00 1.00 C ATOM 1223 OE1 GLN A 83 80.624 -7.020 -0.368 1.00 1.00 O ATOM 1224 NE2 GLN A 83 78.681 -6.579 0.523 1.00 1.00 N ATOM 0 H GLN A 83 81.030 -11.763 0.943 1.00 1.00 H new ATOM 0 HA GLN A 83 78.750 -11.515 0.912 1.00 1.00 H new ATOM 0 HB2 GLN A 83 79.151 -9.414 -1.259 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.785 -9.567 -0.171 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.058 -8.873 1.732 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.589 -9.228 0.957 1.00 1.00 H new ATOM 1233 N TYR A 84 77.739 -11.538 -1.920 1.00 1.00 N ATOM 1234 CA TYR A 84 77.199 -12.328 -3.064 1.00 1.00 C ATOM 1235 C TYR A 84 78.125 -12.176 -4.271 1.00 1.00 C ATOM 1236 O TYR A 84 78.030 -12.910 -5.236 1.00 1.00 O ATOM 1237 CB TYR A 84 75.798 -11.824 -3.429 1.00 1.00 C ATOM 1238 CG TYR A 84 75.133 -12.815 -4.354 1.00 1.00 C ATOM 1239 CD1 TYR A 84 74.671 -14.038 -3.855 1.00 1.00 C ATOM 1240 CD2 TYR A 84 74.978 -12.509 -5.712 1.00 1.00 C ATOM 1241 CE1 TYR A 84 74.055 -14.957 -4.713 1.00 1.00 C ATOM 1242 CE2 TYR A 84 74.361 -13.428 -6.570 1.00 1.00 C ATOM 1243 CZ TYR A 84 73.900 -14.651 -6.071 1.00 1.00 C ATOM 1244 OH TYR A 84 73.292 -15.557 -6.916 1.00 1.00 O ATOM 0 H TYR A 84 77.310 -10.623 -1.781 1.00 1.00 H new ATOM 0 HA TYR A 84 77.140 -13.378 -2.778 1.00 1.00 H new ATOM 0 HB2 TYR A 84 75.200 -11.694 -2.527 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.865 -10.848 -3.911 1.00 1.00 H new ATOM 0 HD1 TYR A 84 74.790 -14.273 -2.808 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.334 -11.565 -6.097 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.700 -15.901 -4.328 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.241 -13.192 -7.617 1.00 1.00 H new ATOM 0 HH TYR A 84 73.263 -15.189 -7.824 1.00 1.00 H new ATOM 1254 N GLY A 85 79.025 -11.230 -4.229 1.00 1.00 N ATOM 1255 CA GLY A 85 79.957 -11.035 -5.375 1.00 1.00 C ATOM 1256 C GLY A 85 80.407 -9.574 -5.434 1.00 1.00 C ATOM 1257 O GLY A 85 81.367 -9.236 -6.099 1.00 1.00 O ATOM 0 H GLY A 85 79.154 -10.584 -3.450 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.823 -11.688 -5.266 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.464 -11.311 -6.307 1.00 1.00 H new ATOM 1261 N ILE A 86 79.719 -8.700 -4.751 1.00 1.00 N ATOM 1262 CA ILE A 86 80.109 -7.263 -4.780 1.00 1.00 C ATOM 1263 C ILE A 86 79.287 -6.481 -3.751 1.00 1.00 C ATOM 1264 O ILE A 86 79.823 -5.883 -2.839 1.00 1.00 O ATOM 1265 CB ILE A 86 79.851 -6.699 -6.182 1.00 1.00 C ATOM 1266 CG1 ILE A 86 80.181 -5.205 -6.198 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.380 -6.899 -6.551 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.414 -4.748 -7.639 1.00 1.00 C ATOM 0 H ILE A 86 78.906 -8.919 -4.176 1.00 1.00 H new ATOM 0 HA ILE A 86 81.167 -7.168 -4.536 1.00 1.00 H new ATOM 0 HB ILE A 86 80.480 -7.219 -6.904 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.364 -4.637 -5.753 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.069 -5.012 -5.596 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.197 -6.498 -7.548 1.00 1.00 H new ATOM 0 HG22 ILE A 86 78.143 -7.963 -6.539 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.750 -6.379 -5.829 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.649 -3.684 -7.650 1.00 1.00 H new ATOM 0 HD12 ILE A 86 81.245 -5.307 -8.068 1.00 1.00 H new ATOM 0 HD13 ILE A 86 79.514 -4.927 -8.227 1.00 1.00 H new ATOM 1280 N CYS A 87 77.987 -6.476 -3.891 1.00 1.00 N ATOM 1281 CA CYS A 87 77.134 -5.730 -2.922 1.00 1.00 C ATOM 1282 C CYS A 87 76.945 -6.573 -1.658 1.00 1.00 C ATOM 1283 CB CYS A 87 75.771 -5.442 -3.561 1.00 1.00 C ATOM 1284 SG CYS A 87 75.234 -3.775 -3.106 1.00 1.00 S ATOM 0 H CYS A 87 77.480 -6.956 -4.635 1.00 1.00 H new ATOM 0 HA CYS A 87 77.615 -4.788 -2.659 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.839 -5.531 -4.645 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.038 -6.176 -3.227 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 56.524 -8.592 1.757 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.878 -8.572 5.451 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.750 -10.637 4.455 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.690 -5.674 1.032 1.00 1.00 O HETATM 1294 C1L RCY A 110 58.976 -10.805 5.881 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.808 -6.583 4.586 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.935 -9.358 5.375 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.777 -10.282 5.031 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.578 -9.014 4.763 1.00 1.00 N HETATM 1299 C1S RCY A 110 57.483 -11.032 6.145 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.128 -7.732 4.060 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.941 -8.088 2.329 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.246 -6.246 2.255 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.725 -5.503 3.500 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.477 -7.717 2.573 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.102 -4.879 3.255 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.703 -4.426 3.865 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.719 -4.881 3.977 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 56.993 -3.953 4.803 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.465 -4.425 4.177 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.105 -9.128 2.612 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.340 -6.243 5.510 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.582 -9.621 2.111 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.504 -8.225 1.873 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.668 -3.675 3.075 1.00 1.00 H new HETATM 0 H1Y RCY A 110 59.023 -4.115 2.481 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.050 -7.702 4.219 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.192 -10.653 7.124 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.846 -6.819 4.822 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.581 -10.916 6.781 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.806 -8.554 0.705 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.226 2.713 -10.460 1.00 1.00 C HETATM 1310 O1G RCY A 121 66.429 5.579 -14.222 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.878 1.268 -13.079 1.00 1.00 O HETATM 1312 O1J RCY A 121 68.062 5.099 -10.411 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.658 3.383 -15.276 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.605 5.678 -11.968 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.211 4.369 -14.189 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.583 2.198 -13.467 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.462 3.662 -13.061 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.739 2.097 -14.445 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.767 4.259 -11.836 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.758 4.430 -9.310 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.650 5.161 -10.778 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.915 6.305 -11.473 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.583 4.098 -10.554 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.629 7.437 -10.482 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.764 6.811 -12.639 1.00 1.00 C HETATM 0 H1ZB RCY A 121 67.006 5.979 -13.300 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.207 7.566 -13.194 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.032 8.207 -10.971 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.081 7.042 -9.626 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.964 3.693 -9.193 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.402 4.412 -8.431 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.409 5.953 -13.004 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.940 3.308 -16.093 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.448 1.949 -10.468 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.891 2.562 -11.310 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.685 7.249 -12.255 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.570 7.869 -10.142 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.319 5.422 -9.418 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.819 3.724 -11.778 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.693 2.022 -13.924 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.758 6.030 -11.379 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.616 3.655 -15.718 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.797 2.639 -9.535 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.543 11.330 -2.744 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.679 12.461 -4.183 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.784 8.788 -7.013 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.166 9.849 -1.638 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.307 12.189 -6.191 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.130 8.042 -4.391 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.284 11.739 -5.097 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.027 9.921 -6.599 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.705 10.283 -5.284 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.705 11.222 -7.311 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.581 9.404 -4.388 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.608 9.124 -2.090 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.148 9.259 -2.543 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.031 7.953 -3.325 1.00 1.00 C HETATM 1342 C1X RCY A 130 79.518 9.810 -2.916 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.270 6.754 -2.404 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.644 7.875 -3.963 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.470 8.766 -4.566 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 76.584 6.990 -4.597 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.266 5.837 -2.993 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.235 6.863 -1.908 1.00 1.00 H new HETATM 0 H1VB RCY A 130 81.586 9.487 -2.406 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.461 9.350 -1.034 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.745 7.762 -5.371 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.265 12.076 -5.892 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.464 11.729 -3.170 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.687 11.768 -3.256 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.887 7.813 -3.181 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.480 6.708 -1.654 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.555 8.046 -2.241 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.585 9.522 -4.795 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.566 11.593 -7.867 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.949 7.360 -4.163 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.446 13.233 -6.472 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.497 11.577 -1.683 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.331 4.112 -1.327 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.108 4.068 -2.393 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.797 3.408 1.432 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.549 1.236 -2.194 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.513 4.263 -1.982 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.836 2.024 1.332 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.048 4.013 -1.601 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.326 3.866 0.392 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.901 3.686 -0.116 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.062 4.718 -0.626 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.651 3.282 0.668 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.144 2.939 0.581 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.799 1.702 -0.833 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.483 0.942 0.303 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.436 3.051 -0.229 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.526 -0.088 0.910 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.739 0.259 -0.237 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.378 1.000 -0.718 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.281 -0.208 0.585 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.999 -0.561 1.771 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.609 0.409 1.227 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.926 3.897 1.052 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.322 2.665 -0.081 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.864 1.913 1.677 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.007 3.365 -2.352 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.238 5.098 -0.872 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.226 4.082 -1.949 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.455 -0.502 -0.964 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.288 -0.847 0.165 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.261 2.175 1.349 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.488 4.110 1.358 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.879 5.780 -0.461 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.195 1.950 2.211 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.619 5.026 -2.753 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.454 3.912 -1.943 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.350 6.878 7.076 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.307 10.301 4.658 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.920 8.108 7.111 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.750 5.537 7.792 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.649 11.073 6.283 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.075 6.727 4.161 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.352 10.044 5.389 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.539 8.935 6.443 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.719 8.659 5.521 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.263 10.427 6.388 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.151 7.333 4.893 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.228 5.077 5.296 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.145 5.882 6.429 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.261 5.925 5.184 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.528 6.279 5.933 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.993 4.509 4.668 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.949 6.631 5.526 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.163 7.613 5.947 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.352 6.747 4.622 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.433 4.562 3.735 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.941 4.000 4.494 1.00 1.00 H new HETATM 0 H1VB RCY A 150 85.193 5.388 4.896 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.380 4.303 6.049 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.457 7.484 3.679 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.133 11.182 7.254 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.268 7.309 6.677 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.770 7.656 7.572 1.00 1.00 H new HETATM 0 H1Z RCY A 150 79.395 6.037 6.253 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.414 3.956 5.408 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.611 4.682 4.489 1.00 1.00 H new HETATM 0 H1U RCY A 150 84.001 7.598 4.264 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.640 10.684 5.531 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.457 6.078 3.373 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.614 12.064 5.831 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.598 6.097 7.794 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.668 6.706 2.603 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.900 10.534 2.497 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.236 8.057 -0.514 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.037 5.076 4.733 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.638 11.138 0.490 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.251 7.591 2.868 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.199 10.182 1.550 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.039 8.861 -0.044 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.778 8.738 1.283 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.479 10.165 -0.684 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.029 7.484 2.124 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.713 8.534 4.015 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.650 6.212 4.051 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.126 6.607 4.038 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.962 7.266 3.195 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.510 7.285 5.355 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.976 5.358 3.807 1.00 1.00 C HETATM 0 H1ZA RCY A 160 78.023 5.644 3.705 1.00 1.00 H new HETATM 0 H1YB RCY A 160 77.541 7.635 5.297 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.848 8.132 5.534 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.271 9.299 3.377 1.00 1.00 H new HETATM 0 H1VA RCY A 160 73.032 8.309 4.836 1.00 1.00 H new HETATM 0 H1MA RCY A 160 77.110 7.346 2.243 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.691 11.586 0.792 1.00 1.00 H new HETATM 0 H1CB RCY A 160 72.273 7.404 1.865 1.00 1.00 H new HETATM 0 H1CA RCY A 160 72.872 5.748 2.124 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.415 6.571 6.173 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.658 8.899 4.417 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.041 6.671 1.398 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.416 10.043 -1.228 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.399 8.609 3.229 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.321 11.957 0.264 1.00 1.00 H new HETATM 0 H1C RCY A 160 71.935 6.566 3.398 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.302 0.763 3.229 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.091 2.882 -0.725 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.923 3.485 3.427 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.711 -0.182 0.741 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.744 3.149 -0.084 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.970 3.571 1.489 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.252 3.011 0.165 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.196 3.109 2.288 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.582 3.055 1.656 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.209 2.612 1.248 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.947 3.047 2.348 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.639 1.663 3.624 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.851 1.159 1.301 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.450 2.394 0.630 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.432 1.638 2.684 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.979 2.315 0.631 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.916 2.495 -0.799 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.826 2.489 -0.781 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.267 3.421 -1.254 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.391 3.239 0.226 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.580 4.375 0.865 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.444 4.180 -0.269 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.900 1.212 4.137 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.511 0.683 2.483 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.274 1.646 -1.382 1.00 1.00 H new HETATM 0 H1Y RCY A 168 76.300 1.474 0.016 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.797 3.644 3.247 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.154 1.523 1.243 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.791 3.989 2.071 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.406 2.561 -0.937 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.688 -0.231 3.456 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.993 3.597 3.695 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.141 3.905 5.688 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.949 -0.525 6.811 1.00 1.00 O HETATM 1426 O1J RCY A 173 79.383 1.835 3.193 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.229 2.623 7.771 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.066 0.017 3.820 1.00 1.00 C HETATM 1429 C1P RCY A 173 76.907 2.857 6.289 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.107 0.695 6.848 1.00 1.00 C HETATM 1431 N1R RCY A 173 76.260 1.628 5.653 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.186 1.549 8.099 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.864 1.387 4.196 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.139 2.149 1.797 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.008 1.349 3.258 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.534 -0.097 3.392 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.727 2.170 3.209 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.648 -0.824 2.049 1.00 1.00 C HETATM 1439 C1Z RCY A 173 78.371 -0.802 4.459 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.325 -0.237 5.390 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.980 -1.806 4.624 1.00 1.00 H new HETATM 0 H1YB RCY A 173 77.228 -1.826 2.141 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.100 -0.269 1.287 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.851 -0.651 4.654 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.250 2.275 7.926 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.513 3.564 4.653 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.407 -0.867 4.125 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.220 1.994 8.336 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.400 -0.265 3.005 1.00 1.00 H new HETATM 0 H1L RCY A 173 77.104 3.523 8.373 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.601 -3.270 1.785 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.567 -5.357 5.867 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.000 -4.446 5.641 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.478 -4.501 -0.961 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.363 -4.921 3.409 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.802 -6.235 1.549 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.774 -4.689 4.874 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.313 -4.538 4.455 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.582 -4.986 3.643 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.682 -5.033 4.233 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.451 -4.966 2.119 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.031 -5.674 2.356 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.144 -5.117 0.183 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.127 -6.287 0.172 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.014 -4.737 1.651 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.381 -7.611 -0.012 1.00 1.00 C HETATM 1458 C1Z RCY A 176 80.141 -6.079 -0.952 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.618 -5.106 -0.836 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.990 -5.427 3.417 1.00 1.00 H new HETATM 0 H1VA RCY A 176 76.040 -5.558 1.918 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.884 -6.334 1.456 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.787 -5.785 3.076 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.674 -2.965 2.829 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.261 -2.649 1.179 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.631 -6.121 -1.914 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.909 -7.629 -0.994 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.362 -6.706 2.236 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.110 -4.158 1.803 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.543 -4.381 4.085 1.00 1.00 H new HETATM 0 H1M RCY A 176 79.460 -7.054 2.182 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.573 -3.149 1.442 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.027 1.030 -1.894 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.655 -3.407 -0.513 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.801 -1.072 -1.928 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.484 2.465 0.317 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.765 -4.007 -1.948 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.900 -0.898 1.262 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.575 -3.097 -1.016 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.561 -1.956 -1.533 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.875 -1.758 -0.788 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.359 -3.451 -1.700 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.359 -0.530 -0.015 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.627 -0.776 -1.115 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.986 1.096 0.419 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.822 0.253 1.683 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.513 0.191 -0.710 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.179 -0.285 2.146 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.181 1.109 2.776 1.00 1.00 C HETATM 0 H1YB RCY A 187 81.035 -0.951 2.997 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.650 -0.834 1.331 1.00 1.00 H new HETATM 0 H1VB RCY A 187 80.258 -1.454 -1.885 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.475 -0.212 -1.504 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.072 -3.917 -2.990 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.539 0.383 -2.623 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.318 1.779 -1.542 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.860 1.916 3.052 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.819 0.547 2.440 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.943 -1.352 -0.245 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.477 0.105 0.061 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.910 -3.892 -0.810 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.453 -1.835 1.195 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.877 1.527 -2.361 1.00 1.00 H new