USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, 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 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 17 MET CE :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 17 MET CE :(H bumps) USER MOD NoAdj-H: A 121 RCY H1V : A 121 RCY C1V : A 110 RCY O1J :(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 RCYH1ZA : A 160 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY N1V :(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 H1Y : A 160 RCY C1Y : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 168 RCY O1J :(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 RCYH1CB : A 168 RCY C1C : A 160 RCY C1P :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 69 PRO N :(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 RCYH1MA : A 173 RCY C1M : A 69 PRO C :(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 RCYH1CA : A 173 RCY C1C : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY N1V :(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 H1V : A 176 RCY C1V : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1Y :(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 RCY H1Y : A 187 RCY C1Y : A 176 RCY C1Y :(H bumps) USER MOD Set 1.1: A 32 GLN : amide:sc= -14.7! C(o=-15!,f=-22!) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.114 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= -0.263 (180deg=-1.52!) USER MOD Single : A 12 SER OG : rot 30:sc= -14.9! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00462 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.192 (180deg=-1.01) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.186 (180deg=-0.995) USER MOD Single : A 34 GLN : amide:sc= -9.32! C(o=-9.3!,f=-15!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.206 F(o=-0.82,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0205 (180deg=-0.32) USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= 0.406 (180deg=-2.49!) USER MOD Single : A 48 GLN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 39:sc= -0.237! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 74 ASN :FLIP amide:sc= -7.83! C(o=-9!,f=-7.8!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.82 F(o=-2.9,f=-1.8) USER MOD Single : A 79 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-4.1!) USER MOD Single : A 83 GLN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.060 8.063 18.197 1.00 1.00 N ATOM 2 CA MET A 1 61.964 9.175 17.790 1.00 1.00 C ATOM 3 C MET A 1 62.882 8.696 16.663 1.00 1.00 C ATOM 4 O MET A 1 63.049 7.513 16.448 1.00 1.00 O ATOM 5 CB MET A 1 62.808 9.610 18.993 1.00 1.00 C ATOM 6 CG MET A 1 63.609 10.863 18.633 1.00 1.00 C ATOM 7 SD MET A 1 65.203 10.377 17.925 1.00 1.00 S ATOM 8 CE MET A 1 66.001 11.998 18.031 1.00 1.00 C ATOM 0 H1 MET A 1 60.076 8.316 17.975 1.00 1.00 H new ATOM 0 H2 MET A 1 61.320 7.198 17.681 1.00 1.00 H new ATOM 0 H3 MET A 1 61.152 7.897 19.220 1.00 1.00 H new ATOM 0 HA MET A 1 61.372 10.020 17.439 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.163 9.812 19.848 1.00 1.00 H new ATOM 0 HB3 MET A 1 63.483 8.806 19.286 1.00 1.00 H new ATOM 0 HG2 MET A 1 63.052 11.471 17.920 1.00 1.00 H new ATOM 0 HG3 MET A 1 63.765 11.476 19.521 1.00 1.00 H new ATOM 0 HE1 MET A 1 67.016 11.930 17.640 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.434 12.722 17.445 1.00 1.00 H new ATOM 0 HE3 MET A 1 66.034 12.320 19.072 1.00 1.00 H new ATOM 17 N ASN A 2 63.475 9.607 15.940 1.00 1.00 N ATOM 18 CA ASN A 2 64.381 9.207 14.825 1.00 1.00 C ATOM 19 C ASN A 2 63.545 8.676 13.657 1.00 1.00 C ATOM 20 O ASN A 2 63.746 9.047 12.518 1.00 1.00 O ATOM 21 CB ASN A 2 65.346 8.116 15.310 1.00 1.00 C ATOM 22 CG ASN A 2 66.671 8.233 14.554 1.00 1.00 C ATOM 23 OD1 ASN A 2 66.805 7.725 13.458 1.00 1.00 O ATOM 24 ND2 ASN A 2 67.662 8.887 15.095 1.00 1.00 N ATOM 0 H ASN A 2 63.371 10.613 16.074 1.00 1.00 H new ATOM 0 HA ASN A 2 64.956 10.072 14.495 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.517 8.217 16.382 1.00 1.00 H new ATOM 0 HB3 ASN A 2 64.909 7.131 15.148 1.00 1.00 H new ATOM 0 HD21 ASN A 2 68.549 8.972 14.598 1.00 1.00 H new ATOM 0 HD22 ASN A 2 67.550 9.313 16.015 1.00 1.00 H new ATOM 31 N LEU A 3 62.609 7.809 13.931 1.00 1.00 N ATOM 32 CA LEU A 3 61.762 7.255 12.837 1.00 1.00 C ATOM 33 C LEU A 3 60.733 8.305 12.409 1.00 1.00 C ATOM 34 O LEU A 3 60.109 8.947 13.230 1.00 1.00 O ATOM 35 CB LEU A 3 61.036 6.002 13.337 1.00 1.00 C ATOM 36 CG LEU A 3 61.997 4.812 13.324 1.00 1.00 C ATOM 37 CD1 LEU A 3 62.317 4.429 11.878 1.00 1.00 C ATOM 38 CD2 LEU A 3 63.291 5.196 14.047 1.00 1.00 C ATOM 0 H LEU A 3 62.394 7.460 14.865 1.00 1.00 H new ATOM 0 HA LEU A 3 62.391 6.994 11.986 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.659 6.167 14.346 1.00 1.00 H new ATOM 0 HB3 LEU A 3 60.173 5.793 12.704 1.00 1.00 H new ATOM 0 HG LEU A 3 61.533 3.965 13.830 1.00 1.00 H new ATOM 0 HD11 LEU A 3 63.002 3.581 11.869 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.396 4.157 11.361 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.781 5.275 11.372 1.00 1.00 H new ATOM 0 HD21 LEU A 3 63.977 4.349 14.039 1.00 1.00 H new ATOM 0 HD22 LEU A 3 63.754 6.043 13.540 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.065 5.470 15.078 1.00 1.00 H new ATOM 50 N GLU A 4 60.553 8.484 11.129 1.00 1.00 N ATOM 51 CA GLU A 4 59.566 9.492 10.645 1.00 1.00 C ATOM 52 C GLU A 4 58.206 8.811 10.440 1.00 1.00 C ATOM 53 O GLU A 4 58.136 7.627 10.176 1.00 1.00 O ATOM 54 CB GLU A 4 60.052 10.074 9.313 1.00 1.00 C ATOM 55 CG GLU A 4 61.107 11.149 9.581 1.00 1.00 C ATOM 56 CD GLU A 4 62.222 10.565 10.450 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.016 9.802 9.927 1.00 1.00 O ATOM 58 OE2 GLU A 4 62.263 10.892 11.625 1.00 1.00 O ATOM 0 H GLU A 4 61.047 7.975 10.396 1.00 1.00 H new ATOM 0 HA GLU A 4 59.466 10.292 11.378 1.00 1.00 H new ATOM 0 HB2 GLU A 4 60.472 9.284 8.690 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.214 10.501 8.763 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.518 11.513 8.639 1.00 1.00 H new ATOM 0 HG3 GLU A 4 60.652 12.004 10.081 1.00 1.00 H new ATOM 65 N PRO A 5 57.133 9.553 10.558 1.00 1.00 N ATOM 66 CA PRO A 5 55.760 9.011 10.380 1.00 1.00 C ATOM 67 C PRO A 5 55.692 7.967 9.257 1.00 1.00 C ATOM 68 O PRO A 5 56.520 7.953 8.367 1.00 1.00 O ATOM 69 CB PRO A 5 54.945 10.253 10.019 1.00 1.00 C ATOM 70 CG PRO A 5 55.634 11.385 10.711 1.00 1.00 C ATOM 71 CD PRO A 5 57.108 10.991 10.869 1.00 1.00 C ATOM 0 HA PRO A 5 55.398 8.491 11.267 1.00 1.00 H new ATOM 0 HB2 PRO A 5 54.919 10.408 8.940 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.912 10.157 10.353 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.541 12.304 10.132 1.00 1.00 H new ATOM 0 HG3 PRO A 5 55.180 11.575 11.684 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.746 11.556 10.190 1.00 1.00 H new ATOM 0 HD3 PRO A 5 57.466 11.186 11.880 1.00 1.00 H new ATOM 79 N PRO A 6 54.714 7.098 9.297 1.00 1.00 N ATOM 80 CA PRO A 6 54.542 6.034 8.264 1.00 1.00 C ATOM 81 C PRO A 6 54.112 6.608 6.910 1.00 1.00 C ATOM 82 O PRO A 6 53.599 7.706 6.825 1.00 1.00 O ATOM 83 CB PRO A 6 53.445 5.134 8.844 1.00 1.00 C ATOM 84 CG PRO A 6 52.675 6.007 9.779 1.00 1.00 C ATOM 85 CD PRO A 6 53.665 7.037 10.327 1.00 1.00 C ATOM 0 HA PRO A 6 55.474 5.505 8.067 1.00 1.00 H new ATOM 0 HB2 PRO A 6 52.803 4.738 8.057 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.873 4.279 9.367 1.00 1.00 H new ATOM 0 HG2 PRO A 6 51.851 6.498 9.261 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.239 5.420 10.587 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.192 8.008 10.474 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.069 6.730 11.292 1.00 1.00 H new ATOM 93 N LYS A 7 54.317 5.872 5.852 1.00 1.00 N ATOM 94 CA LYS A 7 53.921 6.374 4.506 1.00 1.00 C ATOM 95 C LYS A 7 53.739 5.187 3.554 1.00 1.00 C ATOM 96 O LYS A 7 52.971 4.284 3.819 1.00 1.00 O ATOM 97 CB LYS A 7 55.011 7.306 3.970 1.00 1.00 C ATOM 98 CG LYS A 7 56.382 6.655 4.162 1.00 1.00 C ATOM 99 CD LYS A 7 57.449 7.493 3.456 1.00 1.00 C ATOM 100 CE LYS A 7 57.853 8.667 4.350 1.00 1.00 C ATOM 101 NZ LYS A 7 58.346 8.149 5.657 1.00 1.00 N ATOM 0 H LYS A 7 54.742 4.945 5.862 1.00 1.00 H new ATOM 0 HA LYS A 7 52.982 6.923 4.580 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.840 7.513 2.914 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.975 8.262 4.492 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.612 6.574 5.224 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.375 5.642 3.759 1.00 1.00 H new ATOM 0 HD2 LYS A 7 58.320 6.877 3.231 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.066 7.862 2.505 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.630 9.257 3.864 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.001 9.329 4.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 59.137 8.738 5.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.576 8.180 6.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.670 7.167 5.542 1.00 1.00 H new ATOM 115 N ALA A 8 54.438 5.180 2.449 1.00 1.00 N ATOM 116 CA ALA A 8 54.305 4.052 1.482 1.00 1.00 C ATOM 117 C ALA A 8 55.504 3.112 1.625 1.00 1.00 C ATOM 118 O ALA A 8 56.618 3.457 1.285 1.00 1.00 O ATOM 119 CB ALA A 8 54.263 4.607 0.057 1.00 1.00 C ATOM 0 H ALA A 8 55.097 5.909 2.175 1.00 1.00 H new ATOM 0 HA ALA A 8 53.386 3.503 1.688 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.166 3.784 -0.651 1.00 1.00 H new ATOM 0 HB2 ALA A 8 53.410 5.278 -0.047 1.00 1.00 H new ATOM 0 HB3 ALA A 8 55.183 5.155 -0.147 1.00 1.00 H new ATOM 125 N GLU A 9 55.285 1.926 2.125 1.00 1.00 N ATOM 126 CA GLU A 9 56.414 0.966 2.287 1.00 1.00 C ATOM 127 C GLU A 9 56.684 0.268 0.953 1.00 1.00 C ATOM 128 O GLU A 9 57.290 -0.784 0.903 1.00 1.00 O ATOM 129 CB GLU A 9 56.048 -0.078 3.344 1.00 1.00 C ATOM 130 CG GLU A 9 56.141 0.550 4.736 1.00 1.00 C ATOM 131 CD GLU A 9 55.235 1.781 4.803 1.00 1.00 C ATOM 132 OE1 GLU A 9 54.044 1.628 4.589 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.748 2.856 5.067 1.00 1.00 O ATOM 0 H GLU A 9 54.374 1.581 2.428 1.00 1.00 H new ATOM 0 HA GLU A 9 57.307 1.505 2.603 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.039 -0.450 3.168 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.720 -0.933 3.274 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.844 -0.175 5.494 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.172 0.832 4.951 1.00 1.00 H new ATOM 140 N CYS A 10 56.239 0.846 -0.129 1.00 1.00 N ATOM 141 CA CYS A 10 56.470 0.216 -1.460 1.00 1.00 C ATOM 142 C CYS A 10 55.977 -1.232 -1.433 1.00 1.00 C ATOM 143 O CYS A 10 56.648 -2.134 -1.894 1.00 1.00 O ATOM 144 CB CYS A 10 57.965 0.240 -1.783 1.00 1.00 C ATOM 145 SG CYS A 10 58.583 1.936 -1.654 1.00 1.00 S ATOM 0 H CYS A 10 55.726 1.727 -0.149 1.00 1.00 H new ATOM 0 HA CYS A 10 55.924 0.771 -2.223 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.507 -0.409 -1.095 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.137 -0.146 -2.788 1.00 1.00 H new ATOM 150 N ARG A 11 54.808 -1.460 -0.896 1.00 1.00 N ATOM 151 CA ARG A 11 54.266 -2.849 -0.838 1.00 1.00 C ATOM 152 C ARG A 11 55.269 -3.767 -0.135 1.00 1.00 C ATOM 153 O ARG A 11 55.146 -4.051 1.040 1.00 1.00 O ATOM 154 CB ARG A 11 54.012 -3.361 -2.258 1.00 1.00 C ATOM 155 CG ARG A 11 53.344 -4.736 -2.193 1.00 1.00 C ATOM 156 CD ARG A 11 53.049 -5.228 -3.611 1.00 1.00 C ATOM 157 NE ARG A 11 52.074 -4.309 -4.263 1.00 1.00 N ATOM 158 CZ ARG A 11 51.426 -4.694 -5.328 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.630 -5.884 -5.822 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.573 -3.889 -5.899 1.00 1.00 N ATOM 0 H ARG A 11 54.204 -0.743 -0.494 1.00 1.00 H new ATOM 0 HA ARG A 11 53.329 -2.845 -0.281 1.00 1.00 H new ATOM 0 HB2 ARG A 11 53.376 -2.661 -2.800 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.952 -3.427 -2.806 1.00 1.00 H new ATOM 0 HG2 ARG A 11 53.994 -5.444 -1.679 1.00 1.00 H new ATOM 0 HG3 ARG A 11 52.420 -4.676 -1.618 1.00 1.00 H new ATOM 0 HD2 ARG A 11 53.970 -5.270 -4.192 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.646 -6.240 -3.580 1.00 1.00 H new ATOM 0 HE ARG A 11 51.913 -3.379 -3.877 1.00 1.00 H new ATOM 0 HH11 ARG A 11 52.296 -6.514 -5.376 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.123 -6.184 -6.655 1.00 1.00 H new ATOM 0 HH21 ARG A 11 50.413 -2.959 -5.513 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.066 -4.190 -6.732 1.00 1.00 H new ATOM 174 N SER A 12 56.260 -4.236 -0.845 1.00 1.00 N ATOM 175 CA SER A 12 57.270 -5.139 -0.220 1.00 1.00 C ATOM 176 C SER A 12 57.679 -4.587 1.147 1.00 1.00 C ATOM 177 O SER A 12 57.461 -3.431 1.451 1.00 1.00 O ATOM 178 CB SER A 12 58.501 -5.227 -1.122 1.00 1.00 C ATOM 179 OG SER A 12 58.865 -3.921 -1.547 1.00 1.00 O ATOM 0 H SER A 12 56.414 -4.032 -1.833 1.00 1.00 H new ATOM 0 HA SER A 12 56.838 -6.132 -0.094 1.00 1.00 H new ATOM 0 HB2 SER A 12 59.328 -5.691 -0.584 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.289 -5.857 -1.986 1.00 1.00 H new ATOM 0 HG SER A 12 58.607 -3.270 -0.861 1.00 1.00 H new ATOM 185 N ALA A 13 58.269 -5.405 1.975 1.00 1.00 N ATOM 186 CA ALA A 13 58.690 -4.928 3.322 1.00 1.00 C ATOM 187 C ALA A 13 57.472 -4.385 4.073 1.00 1.00 C ATOM 188 O ALA A 13 57.045 -3.269 3.858 1.00 1.00 O ATOM 189 CB ALA A 13 59.733 -3.819 3.168 1.00 1.00 C ATOM 0 H ALA A 13 58.478 -6.383 1.776 1.00 1.00 H new ATOM 0 HA ALA A 13 59.123 -5.756 3.883 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.041 -3.470 4.154 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.600 -4.207 2.633 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.302 -2.989 2.608 1.00 1.00 H new ATOM 195 N THR A 14 56.910 -5.167 4.954 1.00 1.00 N ATOM 196 CA THR A 14 55.721 -4.695 5.718 1.00 1.00 C ATOM 197 C THR A 14 56.076 -3.410 6.466 1.00 1.00 C ATOM 198 O THR A 14 55.301 -2.475 6.516 1.00 1.00 O ATOM 199 CB THR A 14 55.300 -5.772 6.722 1.00 1.00 C ATOM 200 OG1 THR A 14 55.287 -7.038 6.078 1.00 1.00 O ATOM 201 CG2 THR A 14 53.903 -5.455 7.258 1.00 1.00 C ATOM 0 H THR A 14 57.223 -6.112 5.177 1.00 1.00 H new ATOM 0 HA THR A 14 54.899 -4.500 5.030 1.00 1.00 H new ATOM 0 HB THR A 14 56.008 -5.793 7.551 1.00 1.00 H new ATOM 0 HG1 THR A 14 55.019 -7.729 6.720 1.00 1.00 H new ATOM 0 HG21 THR A 14 53.605 -6.222 7.972 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.915 -4.484 7.752 1.00 1.00 H new ATOM 0 HG23 THR A 14 53.193 -5.433 6.432 1.00 1.00 H new ATOM 209 N ARG A 15 57.242 -3.355 7.048 1.00 1.00 N ATOM 210 CA ARG A 15 57.647 -2.129 7.792 1.00 1.00 C ATOM 211 C ARG A 15 59.170 -2.103 7.937 1.00 1.00 C ATOM 212 O ARG A 15 59.741 -1.145 8.419 1.00 1.00 O ATOM 213 CB ARG A 15 57.000 -2.139 9.180 1.00 1.00 C ATOM 214 CG ARG A 15 57.133 -0.754 9.816 1.00 1.00 C ATOM 215 CD ARG A 15 56.294 -0.696 11.094 1.00 1.00 C ATOM 216 NE ARG A 15 56.603 -1.879 11.945 1.00 1.00 N ATOM 217 CZ ARG A 15 56.125 -1.954 13.157 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.376 -0.993 13.623 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.395 -2.991 13.902 1.00 1.00 N ATOM 0 H ARG A 15 57.932 -4.106 7.041 1.00 1.00 H new ATOM 0 HA ARG A 15 57.319 -1.245 7.246 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.948 -2.415 9.101 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.479 -2.888 9.811 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.178 -0.546 10.045 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.802 0.013 9.116 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.506 0.223 11.640 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.233 -0.681 10.845 1.00 1.00 H new ATOM 0 HE ARG A 15 57.188 -2.631 11.580 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.164 -0.183 13.040 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.002 -1.051 14.570 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.980 -3.743 13.537 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.021 -3.050 14.849 1.00 1.00 H new ATOM 233 N VAL A 16 59.832 -3.150 7.524 1.00 1.00 N ATOM 234 CA VAL A 16 61.318 -3.188 7.638 1.00 1.00 C ATOM 235 C VAL A 16 61.899 -3.964 6.454 1.00 1.00 C ATOM 236 O VAL A 16 62.402 -3.388 5.509 1.00 1.00 O ATOM 237 CB VAL A 16 61.711 -3.880 8.945 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.205 -3.673 9.204 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.907 -3.280 10.100 1.00 1.00 C ATOM 0 H VAL A 16 59.407 -3.981 7.112 1.00 1.00 H new ATOM 0 HA VAL A 16 61.710 -2.171 7.634 1.00 1.00 H new ATOM 0 HB VAL A 16 61.500 -4.947 8.869 1.00 1.00 H new ATOM 0 HG11 VAL A 16 63.485 -4.166 10.135 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.779 -4.099 8.381 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.417 -2.606 9.280 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.186 -3.772 11.032 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.119 -2.213 10.175 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.842 -3.426 9.917 1.00 1.00 H new ATOM 249 N MET A 17 61.834 -5.267 6.495 1.00 1.00 N ATOM 250 CA MET A 17 62.382 -6.078 5.371 1.00 1.00 C ATOM 251 C MET A 17 61.997 -7.547 5.567 1.00 1.00 C ATOM 252 O MET A 17 62.073 -8.078 6.657 1.00 1.00 O ATOM 253 CB MET A 17 63.907 -5.951 5.346 1.00 1.00 C ATOM 254 CG MET A 17 64.446 -6.526 4.035 1.00 1.00 C ATOM 255 SD MET A 17 64.060 -5.394 2.676 1.00 1.00 S ATOM 256 CE MET A 17 65.728 -4.730 2.453 1.00 1.00 C ATOM 0 H MET A 17 61.425 -5.805 7.259 1.00 1.00 H new ATOM 0 HA MET A 17 61.971 -5.716 4.428 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.197 -4.905 5.443 1.00 1.00 H new ATOM 0 HB3 MET A 17 64.341 -6.482 6.194 1.00 1.00 H new ATOM 0 HG2 MET A 17 65.524 -6.672 4.106 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.003 -7.504 3.845 1.00 1.00 H new ATOM 0 HE1 MET A 17 65.723 -3.997 1.647 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.056 -4.252 3.376 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.412 -5.541 2.202 1.00 1.00 H new ATOM 266 N GLY A 18 61.585 -8.208 4.519 1.00 1.00 N ATOM 267 CA GLY A 18 61.196 -9.642 4.646 1.00 1.00 C ATOM 268 C GLY A 18 60.226 -10.012 3.523 1.00 1.00 C ATOM 269 O GLY A 18 59.972 -9.233 2.627 1.00 1.00 O ATOM 0 H GLY A 18 61.501 -7.817 3.581 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.082 -10.275 4.598 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.730 -9.818 5.615 1.00 1.00 H new ATOM 273 N GLY A 19 59.680 -11.198 3.565 1.00 1.00 N ATOM 274 CA GLY A 19 58.725 -11.619 2.501 1.00 1.00 C ATOM 275 C GLY A 19 59.502 -12.127 1.284 1.00 1.00 C ATOM 276 O GLY A 19 60.716 -12.129 1.269 1.00 1.00 O ATOM 0 H GLY A 19 59.855 -11.893 4.291 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.067 -12.402 2.878 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.090 -10.780 2.215 1.00 1.00 H new ATOM 280 N PRO A 20 58.798 -12.556 0.270 1.00 1.00 N ATOM 281 CA PRO A 20 59.419 -13.080 -0.981 1.00 1.00 C ATOM 282 C PRO A 20 60.546 -12.177 -1.493 1.00 1.00 C ATOM 283 O PRO A 20 60.344 -11.011 -1.771 1.00 1.00 O ATOM 284 CB PRO A 20 58.254 -13.109 -1.974 1.00 1.00 C ATOM 285 CG PRO A 20 57.029 -13.265 -1.135 1.00 1.00 C ATOM 286 CD PRO A 20 57.327 -12.590 0.206 1.00 1.00 C ATOM 0 HA PRO A 20 59.885 -14.053 -0.829 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.215 -12.192 -2.562 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.357 -13.935 -2.678 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.168 -12.803 -1.618 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.788 -14.319 -0.993 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.902 -11.587 0.251 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.904 -13.153 1.038 1.00 1.00 H new ATOM 294 N CYS A 21 61.732 -12.708 -1.621 1.00 1.00 N ATOM 295 CA CYS A 21 62.870 -11.883 -2.116 1.00 1.00 C ATOM 296 C CYS A 21 62.857 -11.863 -3.647 1.00 1.00 C ATOM 297 O CYS A 21 63.011 -12.883 -4.290 1.00 1.00 O ATOM 298 CB CYS A 21 64.188 -12.485 -1.620 1.00 1.00 C ATOM 299 SG CYS A 21 65.436 -11.180 -1.488 1.00 1.00 S ATOM 0 H CYS A 21 61.962 -13.678 -1.404 1.00 1.00 H new ATOM 0 HA CYS A 21 62.773 -10.864 -1.741 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.041 -12.961 -0.651 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.528 -13.260 -2.307 1.00 1.00 H new ATOM 304 N THR A 22 62.672 -10.710 -4.234 1.00 1.00 N ATOM 305 CA THR A 22 62.645 -10.617 -5.725 1.00 1.00 C ATOM 306 C THR A 22 63.594 -9.503 -6.184 1.00 1.00 C ATOM 307 O THR A 22 63.238 -8.341 -6.177 1.00 1.00 O ATOM 308 CB THR A 22 61.222 -10.284 -6.181 1.00 1.00 C ATOM 309 OG1 THR A 22 60.308 -11.178 -5.562 1.00 1.00 O ATOM 310 CG2 THR A 22 61.125 -10.423 -7.701 1.00 1.00 C ATOM 0 H THR A 22 62.538 -9.825 -3.744 1.00 1.00 H new ATOM 0 HA THR A 22 62.960 -11.567 -6.157 1.00 1.00 H new ATOM 0 HB THR A 22 60.979 -9.260 -5.897 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.396 -10.966 -5.851 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.111 -10.186 -8.024 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.827 -9.737 -8.175 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.367 -11.446 -7.989 1.00 1.00 H new ATOM 318 N PRO A 23 64.794 -9.849 -6.582 1.00 1.00 N ATOM 319 CA PRO A 23 65.802 -8.852 -7.052 1.00 1.00 C ATOM 320 C PRO A 23 65.228 -7.906 -8.113 1.00 1.00 C ATOM 321 O PRO A 23 64.073 -7.994 -8.477 1.00 1.00 O ATOM 322 CB PRO A 23 66.921 -9.714 -7.646 1.00 1.00 C ATOM 323 CG PRO A 23 66.805 -11.033 -6.957 1.00 1.00 C ATOM 324 CD PRO A 23 65.322 -11.222 -6.624 1.00 1.00 C ATOM 0 HA PRO A 23 66.139 -8.204 -6.243 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.805 -9.821 -8.725 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.899 -9.264 -7.474 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.164 -11.838 -7.598 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.411 -11.052 -6.051 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.816 -11.822 -7.380 1.00 1.00 H new ATOM 0 HD3 PRO A 23 65.188 -11.732 -5.670 1.00 1.00 H new ATOM 332 N ARG A 24 66.028 -7.003 -8.612 1.00 1.00 N ATOM 333 CA ARG A 24 65.527 -6.056 -9.648 1.00 1.00 C ATOM 334 C ARG A 24 66.713 -5.375 -10.337 1.00 1.00 C ATOM 335 O ARG A 24 66.902 -4.180 -10.231 1.00 1.00 O ATOM 336 CB ARG A 24 64.645 -4.995 -8.983 1.00 1.00 C ATOM 337 CG ARG A 24 63.824 -4.270 -10.052 1.00 1.00 C ATOM 338 CD ARG A 24 62.845 -3.307 -9.378 1.00 1.00 C ATOM 339 NE ARG A 24 63.548 -2.557 -8.299 1.00 1.00 N ATOM 340 CZ ARG A 24 64.268 -1.510 -8.596 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.372 -1.120 -9.837 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.884 -0.853 -7.652 1.00 1.00 N ATOM 0 H ARG A 24 67.005 -6.880 -8.347 1.00 1.00 H new ATOM 0 HA ARG A 24 64.944 -6.603 -10.389 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.982 -5.462 -8.255 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.264 -4.282 -8.439 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.485 -3.722 -10.724 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.279 -4.993 -10.660 1.00 1.00 H new ATOM 0 HD2 ARG A 24 62.438 -2.612 -10.113 1.00 1.00 H new ATOM 0 HD3 ARG A 24 62.003 -3.860 -8.962 1.00 1.00 H new ATOM 0 HE ARG A 24 63.466 -2.862 -7.329 1.00 1.00 H new ATOM 0 HH11 ARG A 24 63.890 -1.634 -10.575 1.00 1.00 H new ATOM 0 HH12 ARG A 24 64.935 -0.302 -10.069 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.803 -1.158 -6.682 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.447 -0.035 -7.884 1.00 1.00 H new ATOM 356 N LYS A 25 67.514 -6.128 -11.042 1.00 1.00 N ATOM 357 CA LYS A 25 68.687 -5.525 -11.736 1.00 1.00 C ATOM 358 C LYS A 25 68.245 -4.277 -12.504 1.00 1.00 C ATOM 359 O LYS A 25 67.069 -3.998 -12.630 1.00 1.00 O ATOM 360 CB LYS A 25 69.281 -6.542 -12.718 1.00 1.00 C ATOM 361 CG LYS A 25 68.180 -7.075 -13.637 1.00 1.00 C ATOM 362 CD LYS A 25 67.790 -8.489 -13.200 1.00 1.00 C ATOM 363 CE LYS A 25 66.755 -9.057 -14.173 1.00 1.00 C ATOM 364 NZ LYS A 25 65.745 -8.009 -14.492 1.00 1.00 N ATOM 0 H LYS A 25 67.406 -7.135 -11.167 1.00 1.00 H new ATOM 0 HA LYS A 25 69.439 -5.249 -10.997 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.067 -6.074 -13.310 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.741 -7.365 -12.171 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.311 -6.419 -13.599 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.527 -7.085 -14.670 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.672 -9.130 -13.175 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.382 -8.469 -12.189 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.245 -9.394 -15.086 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.266 -9.927 -13.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.888 -8.458 -14.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.504 -7.484 -13.627 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.137 -7.352 -15.197 1.00 1.00 H new ATOM 378 N GLY A 26 69.179 -3.524 -13.021 1.00 1.00 N ATOM 379 CA GLY A 26 68.810 -2.297 -13.783 1.00 1.00 C ATOM 380 C GLY A 26 69.984 -1.312 -13.773 1.00 1.00 C ATOM 381 O GLY A 26 70.901 -1.438 -12.986 1.00 1.00 O ATOM 0 H GLY A 26 70.180 -3.706 -12.948 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.550 -2.558 -14.809 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.929 -1.833 -13.340 1.00 1.00 H new ATOM 385 N PRO A 27 69.951 -0.336 -14.643 1.00 1.00 N ATOM 386 CA PRO A 27 71.025 0.694 -14.742 1.00 1.00 C ATOM 387 C PRO A 27 71.466 1.211 -13.361 1.00 1.00 C ATOM 388 O PRO A 27 70.655 1.691 -12.594 1.00 1.00 O ATOM 389 CB PRO A 27 70.363 1.818 -15.543 1.00 1.00 C ATOM 390 CG PRO A 27 69.337 1.142 -16.391 1.00 1.00 C ATOM 391 CD PRO A 27 68.883 -0.107 -15.630 1.00 1.00 C ATOM 0 HA PRO A 27 71.930 0.297 -15.202 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.905 2.555 -14.883 1.00 1.00 H new ATOM 0 HB3 PRO A 27 71.093 2.348 -16.155 1.00 1.00 H new ATOM 0 HG2 PRO A 27 68.494 1.806 -16.580 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.755 0.873 -17.361 1.00 1.00 H new ATOM 0 HD2 PRO A 27 67.920 0.050 -15.145 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.768 -0.961 -16.298 1.00 1.00 H new ATOM 399 N PRO A 28 72.737 1.121 -13.043 1.00 1.00 N ATOM 400 CA PRO A 28 73.264 1.599 -11.731 1.00 1.00 C ATOM 401 C PRO A 28 72.710 2.977 -11.353 1.00 1.00 C ATOM 402 O PRO A 28 72.154 3.678 -12.174 1.00 1.00 O ATOM 403 CB PRO A 28 74.776 1.670 -11.954 1.00 1.00 C ATOM 404 CG PRO A 28 75.059 0.653 -13.011 1.00 1.00 C ATOM 405 CD PRO A 28 73.805 0.560 -13.887 1.00 1.00 C ATOM 0 HA PRO A 28 72.976 0.941 -10.912 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.082 2.666 -12.273 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.321 1.448 -11.037 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.925 0.945 -13.606 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.291 -0.314 -12.564 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.921 1.126 -14.812 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.591 -0.471 -14.169 1.00 1.00 H new ATOM 413 N LYS A 29 72.857 3.366 -10.113 1.00 1.00 N ATOM 414 CA LYS A 29 72.342 4.697 -9.672 1.00 1.00 C ATOM 415 C LYS A 29 73.509 5.556 -9.177 1.00 1.00 C ATOM 416 O LYS A 29 74.620 5.087 -9.032 1.00 1.00 O ATOM 417 CB LYS A 29 71.334 4.499 -8.535 1.00 1.00 C ATOM 418 CG LYS A 29 69.984 4.068 -9.111 1.00 1.00 C ATOM 419 CD LYS A 29 69.014 5.251 -9.081 1.00 1.00 C ATOM 420 CE LYS A 29 69.486 6.324 -10.065 1.00 1.00 C ATOM 421 NZ LYS A 29 68.407 7.333 -10.254 1.00 1.00 N ATOM 0 H LYS A 29 73.313 2.817 -9.384 1.00 1.00 H new ATOM 0 HA LYS A 29 71.854 5.196 -10.509 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.700 3.745 -7.839 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.221 5.425 -7.971 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.110 3.713 -10.134 1.00 1.00 H new ATOM 0 HG3 LYS A 29 69.579 3.237 -8.533 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.010 4.918 -9.344 1.00 1.00 H new ATOM 0 HD3 LYS A 29 68.960 5.665 -8.074 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.388 6.807 -9.688 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.744 5.868 -11.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 68.727 8.062 -10.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.558 6.866 -10.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.182 7.776 -9.340 1.00 1.00 H new ATOM 435 N CYS A 30 73.264 6.812 -8.918 1.00 1.00 N ATOM 436 CA CYS A 30 74.357 7.702 -8.434 1.00 1.00 C ATOM 437 C CYS A 30 75.546 7.618 -9.393 1.00 1.00 C ATOM 438 O CYS A 30 76.599 8.170 -9.141 1.00 1.00 O ATOM 439 CB CYS A 30 74.796 7.260 -7.037 1.00 1.00 C ATOM 440 SG CYS A 30 76.069 8.388 -6.419 1.00 1.00 S ATOM 0 H CYS A 30 72.353 7.260 -9.021 1.00 1.00 H new ATOM 0 HA CYS A 30 73.996 8.730 -8.392 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.941 7.254 -6.361 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.183 6.242 -7.071 1.00 1.00 H new ATOM 445 N LYS A 31 75.387 6.933 -10.492 1.00 1.00 N ATOM 446 CA LYS A 31 76.507 6.814 -11.468 1.00 1.00 C ATOM 447 C LYS A 31 77.779 6.376 -10.734 1.00 1.00 C ATOM 448 O LYS A 31 77.777 6.173 -9.536 1.00 1.00 O ATOM 449 CB LYS A 31 76.740 8.173 -12.144 1.00 1.00 C ATOM 450 CG LYS A 31 77.201 7.957 -13.587 1.00 1.00 C ATOM 451 CD LYS A 31 75.980 7.819 -14.498 1.00 1.00 C ATOM 452 CE LYS A 31 76.441 7.601 -15.941 1.00 1.00 C ATOM 453 NZ LYS A 31 77.405 8.671 -16.321 1.00 1.00 N ATOM 0 H LYS A 31 74.529 6.450 -10.757 1.00 1.00 H new ATOM 0 HA LYS A 31 76.255 6.072 -12.226 1.00 1.00 H new ATOM 0 HB2 LYS A 31 75.822 8.760 -12.129 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.490 8.741 -11.593 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.818 8.795 -13.912 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.820 7.062 -13.652 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.363 6.982 -14.172 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.362 8.715 -14.434 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.910 6.622 -16.040 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.584 7.613 -16.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.472 8.726 -17.357 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.076 9.584 -15.947 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 78.341 8.452 -15.925 1.00 1.00 H new ATOM 467 N GLN A 32 78.864 6.229 -11.444 1.00 1.00 N ATOM 468 CA GLN A 32 80.134 5.805 -10.788 1.00 1.00 C ATOM 469 C GLN A 32 80.756 7.010 -10.070 1.00 1.00 C ATOM 470 O GLN A 32 80.062 7.913 -9.646 1.00 1.00 O ATOM 471 CB GLN A 32 81.095 5.262 -11.862 1.00 1.00 C ATOM 472 CG GLN A 32 81.454 3.810 -11.539 1.00 1.00 C ATOM 473 CD GLN A 32 82.295 3.764 -10.262 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.782 3.940 -9.175 1.00 1.00 O ATOM 475 NE2 GLN A 32 83.577 3.533 -10.348 1.00 1.00 N ATOM 0 H GLN A 32 78.926 6.384 -12.450 1.00 1.00 H new ATOM 0 HA GLN A 32 79.940 5.021 -10.056 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.629 5.322 -12.846 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.998 5.871 -11.899 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.547 3.220 -11.411 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.007 3.368 -12.368 1.00 1.00 H new ATOM 0 HE21 GLN A 32 84.008 3.385 -11.260 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.147 3.500 -9.503 1.00 1.00 H new ATOM 484 N ARG A 33 82.057 7.031 -9.929 1.00 1.00 N ATOM 485 CA ARG A 33 82.725 8.174 -9.238 1.00 1.00 C ATOM 486 C ARG A 33 82.581 8.004 -7.721 1.00 1.00 C ATOM 487 O ARG A 33 82.202 6.954 -7.240 1.00 1.00 O ATOM 488 CB ARG A 33 82.078 9.498 -9.682 1.00 1.00 C ATOM 489 CG ARG A 33 83.146 10.592 -9.749 1.00 1.00 C ATOM 490 CD ARG A 33 82.531 11.872 -10.317 1.00 1.00 C ATOM 491 NE ARG A 33 82.405 11.749 -11.796 1.00 1.00 N ATOM 492 CZ ARG A 33 82.146 12.805 -12.519 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.998 13.968 -11.946 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.036 12.697 -13.815 1.00 1.00 N ATOM 0 H ARG A 33 82.687 6.302 -10.264 1.00 1.00 H new ATOM 0 HA ARG A 33 83.783 8.192 -9.500 1.00 1.00 H new ATOM 0 HB2 ARG A 33 81.606 9.375 -10.657 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.293 9.784 -8.982 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.551 10.781 -8.755 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.977 10.266 -10.375 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.552 12.046 -9.871 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.154 12.730 -10.065 1.00 1.00 H new ATOM 0 HE ARG A 33 82.521 10.840 -12.244 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.085 14.052 -10.933 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.796 14.793 -12.511 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.152 11.788 -14.263 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.834 13.522 -14.380 1.00 1.00 H new ATOM 508 N GLN A 34 82.884 9.024 -6.965 1.00 1.00 N ATOM 509 CA GLN A 34 82.767 8.916 -5.483 1.00 1.00 C ATOM 510 C GLN A 34 83.533 7.682 -5.001 1.00 1.00 C ATOM 511 O GLN A 34 83.277 7.158 -3.935 1.00 1.00 O ATOM 512 CB GLN A 34 81.292 8.787 -5.093 1.00 1.00 C ATOM 513 CG GLN A 34 80.630 10.166 -5.134 1.00 1.00 C ATOM 514 CD GLN A 34 79.184 10.052 -4.647 1.00 1.00 C ATOM 515 OE1 GLN A 34 78.388 9.343 -5.230 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.807 10.727 -3.596 1.00 1.00 N ATOM 0 H GLN A 34 83.208 9.928 -7.310 1.00 1.00 H new ATOM 0 HA GLN A 34 83.186 9.809 -5.020 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.783 8.107 -5.776 1.00 1.00 H new ATOM 0 HB3 GLN A 34 81.205 8.360 -4.094 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.182 10.865 -4.506 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.653 10.562 -6.149 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.475 11.322 -3.106 1.00 1.00 H new ATOM 0 HE22 GLN A 34 77.845 10.659 -3.264 1.00 1.00 H new ATOM 525 N THR A 35 84.472 7.214 -5.776 1.00 1.00 N ATOM 526 CA THR A 35 85.254 6.014 -5.361 1.00 1.00 C ATOM 527 C THR A 35 86.378 6.441 -4.415 1.00 1.00 C ATOM 528 O THR A 35 87.233 7.229 -4.768 1.00 1.00 O ATOM 529 CB THR A 35 85.854 5.343 -6.599 1.00 1.00 C ATOM 530 OG1 THR A 35 84.872 5.280 -7.624 1.00 1.00 O ATOM 531 CG2 THR A 35 86.315 3.928 -6.243 1.00 1.00 C ATOM 0 H THR A 35 84.732 7.610 -6.679 1.00 1.00 H new ATOM 0 HA THR A 35 84.597 5.310 -4.850 1.00 1.00 H new ATOM 0 HB THR A 35 86.708 5.923 -6.949 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.255 4.852 -8.418 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.742 3.452 -7.126 1.00 1.00 H new ATOM 0 HG22 THR A 35 87.069 3.978 -5.457 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.463 3.345 -5.892 1.00 1.00 H new ATOM 539 N ARG A 36 86.384 5.928 -3.213 1.00 1.00 N ATOM 540 CA ARG A 36 87.453 6.306 -2.243 1.00 1.00 C ATOM 541 C ARG A 36 88.581 5.271 -2.294 1.00 1.00 C ATOM 542 O ARG A 36 89.376 5.164 -1.383 1.00 1.00 O ATOM 543 CB ARG A 36 86.862 6.351 -0.828 1.00 1.00 C ATOM 544 CG ARG A 36 87.700 7.283 0.049 1.00 1.00 C ATOM 545 CD ARG A 36 87.186 8.717 -0.090 1.00 1.00 C ATOM 546 NE ARG A 36 88.028 9.629 0.734 1.00 1.00 N ATOM 547 CZ ARG A 36 89.167 10.063 0.269 1.00 1.00 C ATOM 548 NH1 ARG A 36 89.570 9.698 -0.917 1.00 1.00 N ATOM 549 NH2 ARG A 36 89.904 10.862 0.991 1.00 1.00 N ATOM 0 H ARG A 36 85.695 5.264 -2.861 1.00 1.00 H new ATOM 0 HA ARG A 36 87.851 7.287 -2.504 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.830 6.700 -0.865 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.844 5.349 -0.398 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.646 6.966 1.090 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.748 7.231 -0.246 1.00 1.00 H new ATOM 0 HD2 ARG A 36 87.214 9.025 -1.135 1.00 1.00 H new ATOM 0 HD3 ARG A 36 86.146 8.775 0.232 1.00 1.00 H new ATOM 0 HE ARG A 36 87.714 9.914 1.662 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.994 9.073 -1.481 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.461 10.038 -1.280 1.00 1.00 H new ATOM 0 HH21 ARG A 36 89.589 11.147 1.919 1.00 1.00 H new ATOM 0 HH22 ARG A 36 90.795 11.202 0.628 1.00 1.00 H new ATOM 563 N GLN A 37 88.654 4.509 -3.353 1.00 1.00 N ATOM 564 CA GLN A 37 89.728 3.480 -3.466 1.00 1.00 C ATOM 565 C GLN A 37 89.672 2.541 -2.258 1.00 1.00 C ATOM 566 O GLN A 37 89.138 1.452 -2.332 1.00 1.00 O ATOM 567 CB GLN A 37 91.096 4.167 -3.518 1.00 1.00 C ATOM 568 CG GLN A 37 91.120 5.171 -4.672 1.00 1.00 C ATOM 569 CD GLN A 37 91.147 4.419 -6.004 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.030 3.973 -6.510 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 92.196 4.235 -6.589 1.00 1.00 N flip ATOM 0 H GLN A 37 88.014 4.555 -4.146 1.00 1.00 H new ATOM 0 HA GLN A 37 89.578 2.903 -4.379 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.295 4.676 -2.575 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.883 3.424 -3.652 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.243 5.816 -4.625 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.995 5.816 -4.589 1.00 1.00 H new ATOM 0 HE21 GLN A 37 93.069 4.584 -6.193 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.204 3.732 -7.476 1.00 1.00 H new ATOM 580 N CYS A 38 90.218 2.951 -1.145 1.00 1.00 N ATOM 581 CA CYS A 38 90.193 2.078 0.062 1.00 1.00 C ATOM 582 C CYS A 38 90.725 0.691 -0.302 1.00 1.00 C ATOM 583 O CYS A 38 89.978 -0.195 -0.669 1.00 1.00 O ATOM 584 CB CYS A 38 88.755 1.958 0.574 1.00 1.00 C ATOM 585 SG CYS A 38 88.660 0.630 1.800 1.00 1.00 S ATOM 0 H CYS A 38 90.680 3.852 -1.020 1.00 1.00 H new ATOM 0 HA CYS A 38 90.820 2.513 0.840 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.436 2.901 1.018 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.078 1.751 -0.255 1.00 1.00 H new ATOM 590 N LYS A 39 92.011 0.496 -0.206 1.00 1.00 N ATOM 591 CA LYS A 39 92.595 -0.830 -0.550 1.00 1.00 C ATOM 592 C LYS A 39 92.046 -1.898 0.404 1.00 1.00 C ATOM 593 O LYS A 39 90.895 -1.860 0.793 1.00 1.00 O ATOM 594 CB LYS A 39 94.123 -0.752 -0.432 1.00 1.00 C ATOM 595 CG LYS A 39 94.765 -1.575 -1.550 1.00 1.00 C ATOM 596 CD LYS A 39 96.289 -1.477 -1.447 1.00 1.00 C ATOM 597 CE LYS A 39 96.907 -1.657 -2.834 1.00 1.00 C ATOM 598 NZ LYS A 39 98.388 -1.513 -2.740 1.00 1.00 N ATOM 0 H LYS A 39 92.684 1.200 0.097 1.00 1.00 H new ATOM 0 HA LYS A 39 92.325 -1.099 -1.571 1.00 1.00 H new ATOM 0 HB2 LYS A 39 94.451 0.286 -0.496 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.443 -1.128 0.540 1.00 1.00 H new ATOM 0 HG2 LYS A 39 94.451 -2.616 -1.475 1.00 1.00 H new ATOM 0 HG3 LYS A 39 94.432 -1.210 -2.522 1.00 1.00 H new ATOM 0 HD2 LYS A 39 96.575 -0.510 -1.033 1.00 1.00 H new ATOM 0 HD3 LYS A 39 96.668 -2.240 -0.767 1.00 1.00 H new ATOM 0 HE2 LYS A 39 96.651 -2.638 -3.234 1.00 1.00 H new ATOM 0 HE3 LYS A 39 96.502 -0.916 -3.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 98.809 -1.635 -3.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 98.622 -0.567 -2.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 98.767 -2.236 -2.095 1.00 1.00 H new ATOM 612 N SER A 40 92.858 -2.853 0.777 1.00 1.00 N ATOM 613 CA SER A 40 92.384 -3.929 1.698 1.00 1.00 C ATOM 614 C SER A 40 92.908 -3.679 3.115 1.00 1.00 C ATOM 615 O SER A 40 92.393 -4.215 4.076 1.00 1.00 O ATOM 616 CB SER A 40 92.898 -5.281 1.201 1.00 1.00 C ATOM 617 OG SER A 40 92.644 -5.397 -0.192 1.00 1.00 O ATOM 0 H SER A 40 93.831 -2.934 0.483 1.00 1.00 H new ATOM 0 HA SER A 40 91.294 -3.929 1.716 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.967 -5.371 1.396 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.406 -6.091 1.741 1.00 1.00 H new ATOM 0 HG SER A 40 92.974 -6.262 -0.514 1.00 1.00 H new ATOM 623 N LYS A 41 93.929 -2.875 3.259 1.00 1.00 N ATOM 624 CA LYS A 41 94.476 -2.608 4.623 1.00 1.00 C ATOM 625 C LYS A 41 93.317 -2.303 5.586 1.00 1.00 C ATOM 626 O LYS A 41 92.454 -1.502 5.282 1.00 1.00 O ATOM 627 CB LYS A 41 95.435 -1.407 4.574 1.00 1.00 C ATOM 628 CG LYS A 41 95.122 -0.551 3.345 1.00 1.00 C ATOM 629 CD LYS A 41 95.690 0.855 3.543 1.00 1.00 C ATOM 630 CE LYS A 41 94.785 1.643 4.492 1.00 1.00 C ATOM 631 NZ LYS A 41 95.599 2.194 5.612 1.00 1.00 N ATOM 0 H LYS A 41 94.406 -2.394 2.496 1.00 1.00 H new ATOM 0 HA LYS A 41 95.020 -3.486 4.972 1.00 1.00 H new ATOM 0 HB2 LYS A 41 95.334 -0.811 5.481 1.00 1.00 H new ATOM 0 HB3 LYS A 41 96.467 -1.754 4.535 1.00 1.00 H new ATOM 0 HG2 LYS A 41 95.552 -1.006 2.453 1.00 1.00 H new ATOM 0 HG3 LYS A 41 94.044 -0.501 3.189 1.00 1.00 H new ATOM 0 HD2 LYS A 41 96.699 0.797 3.951 1.00 1.00 H new ATOM 0 HD3 LYS A 41 95.763 1.368 2.584 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.293 2.453 3.953 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.999 0.996 4.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.984 2.730 6.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 96.049 1.413 6.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 96.333 2.824 5.230 1.00 1.00 H new ATOM 645 N PRO A 42 93.291 -2.931 6.739 1.00 1.00 N ATOM 646 CA PRO A 42 92.212 -2.709 7.746 1.00 1.00 C ATOM 647 C PRO A 42 92.388 -1.384 8.499 1.00 1.00 C ATOM 648 O PRO A 42 93.462 -0.816 8.523 1.00 1.00 O ATOM 649 CB PRO A 42 92.366 -3.894 8.702 1.00 1.00 C ATOM 650 CG PRO A 42 93.812 -4.262 8.626 1.00 1.00 C ATOM 651 CD PRO A 42 94.280 -3.915 7.209 1.00 1.00 C ATOM 0 HA PRO A 42 91.227 -2.647 7.283 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.080 -3.622 9.718 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.730 -4.727 8.404 1.00 1.00 H new ATOM 0 HG2 PRO A 42 94.391 -3.714 9.370 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.953 -5.323 8.831 1.00 1.00 H new ATOM 0 HD2 PRO A 42 95.287 -3.499 7.212 1.00 1.00 H new ATOM 0 HD3 PRO A 42 94.302 -4.797 6.568 1.00 1.00 H new ATOM 659 N PRO A 43 91.340 -0.901 9.114 1.00 1.00 N ATOM 660 CA PRO A 43 91.377 0.375 9.887 1.00 1.00 C ATOM 661 C PRO A 43 92.178 0.237 11.186 1.00 1.00 C ATOM 662 O PRO A 43 92.426 -0.854 11.660 1.00 1.00 O ATOM 663 CB PRO A 43 89.902 0.662 10.188 1.00 1.00 C ATOM 664 CG PRO A 43 89.229 -0.670 10.151 1.00 1.00 C ATOM 665 CD PRO A 43 90.005 -1.521 9.143 1.00 1.00 C ATOM 0 HA PRO A 43 91.867 1.175 9.332 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.784 1.136 11.162 1.00 1.00 H new ATOM 0 HB3 PRO A 43 89.474 1.340 9.450 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.235 -1.135 11.137 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.186 -0.569 9.852 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.055 -2.564 9.455 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.535 -1.505 8.160 1.00 1.00 H new ATOM 673 N LYS A 44 92.587 1.334 11.763 1.00 1.00 N ATOM 674 CA LYS A 44 93.372 1.265 13.028 1.00 1.00 C ATOM 675 C LYS A 44 92.416 1.183 14.221 1.00 1.00 C ATOM 676 O LYS A 44 92.827 1.252 15.362 1.00 1.00 O ATOM 677 CB LYS A 44 94.242 2.520 13.157 1.00 1.00 C ATOM 678 CG LYS A 44 95.468 2.390 12.252 1.00 1.00 C ATOM 679 CD LYS A 44 96.595 1.690 13.015 1.00 1.00 C ATOM 680 CE LYS A 44 97.733 1.353 12.050 1.00 1.00 C ATOM 681 NZ LYS A 44 98.260 2.610 11.445 1.00 1.00 N ATOM 0 H LYS A 44 92.411 2.276 11.413 1.00 1.00 H new ATOM 0 HA LYS A 44 94.008 0.380 13.012 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.666 3.404 12.882 1.00 1.00 H new ATOM 0 HB3 LYS A 44 94.555 2.653 14.193 1.00 1.00 H new ATOM 0 HG2 LYS A 44 95.214 1.823 11.357 1.00 1.00 H new ATOM 0 HG3 LYS A 44 95.796 3.376 11.922 1.00 1.00 H new ATOM 0 HD2 LYS A 44 96.961 2.334 13.815 1.00 1.00 H new ATOM 0 HD3 LYS A 44 96.220 0.780 13.484 1.00 1.00 H new ATOM 0 HE2 LYS A 44 98.530 0.829 12.579 1.00 1.00 H new ATOM 0 HE3 LYS A 44 97.375 0.683 11.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 99.187 2.424 11.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 97.598 2.949 10.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 98.363 3.334 12.184 1.00 1.00 H new ATOM 695 N LYS A 45 91.144 1.040 13.967 1.00 1.00 N ATOM 696 CA LYS A 45 90.165 0.957 15.089 1.00 1.00 C ATOM 697 C LYS A 45 90.075 -0.489 15.582 1.00 1.00 C ATOM 698 O LYS A 45 90.826 -0.909 16.440 1.00 1.00 O ATOM 699 CB LYS A 45 88.789 1.419 14.601 1.00 1.00 C ATOM 700 CG LYS A 45 88.831 2.917 14.295 1.00 1.00 C ATOM 701 CD LYS A 45 88.555 3.709 15.575 1.00 1.00 C ATOM 702 CE LYS A 45 87.047 3.909 15.737 1.00 1.00 C ATOM 703 NZ LYS A 45 86.603 5.047 14.885 1.00 1.00 N ATOM 0 H LYS A 45 90.740 0.977 13.032 1.00 1.00 H new ATOM 0 HA LYS A 45 90.494 1.599 15.907 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.503 0.863 13.708 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.034 1.213 15.360 1.00 1.00 H new ATOM 0 HG2 LYS A 45 89.806 3.189 13.890 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.090 3.164 13.535 1.00 1.00 H new ATOM 0 HD2 LYS A 45 88.957 3.178 16.438 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.058 4.675 15.533 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.516 3.000 15.454 1.00 1.00 H new ATOM 0 HE3 LYS A 45 86.806 4.107 16.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 86.304 5.838 15.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 87.390 5.354 14.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.804 4.745 14.291 1.00 1.00 H new ATOM 717 N GLY A 46 89.162 -1.255 15.050 1.00 1.00 N ATOM 718 CA GLY A 46 89.030 -2.672 15.495 1.00 1.00 C ATOM 719 C GLY A 46 87.886 -3.346 14.737 1.00 1.00 C ATOM 720 O GLY A 46 87.466 -2.888 13.692 1.00 1.00 O ATOM 0 H GLY A 46 88.503 -0.962 14.328 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.962 -3.208 15.317 1.00 1.00 H new ATOM 0 HA3 GLY A 46 88.841 -2.710 16.568 1.00 1.00 H new ATOM 724 N VAL A 47 87.379 -4.432 15.253 1.00 1.00 N ATOM 725 CA VAL A 47 86.263 -5.138 14.563 1.00 1.00 C ATOM 726 C VAL A 47 84.953 -4.385 14.807 1.00 1.00 C ATOM 727 O VAL A 47 84.685 -3.370 14.195 1.00 1.00 O ATOM 728 CB VAL A 47 86.144 -6.563 15.113 1.00 1.00 C ATOM 729 CG1 VAL A 47 87.152 -7.470 14.405 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.435 -6.554 16.615 1.00 1.00 C ATOM 0 H VAL A 47 87.690 -4.861 16.124 1.00 1.00 H new ATOM 0 HA VAL A 47 86.464 -5.177 13.492 1.00 1.00 H new ATOM 0 HB VAL A 47 85.135 -6.937 14.939 1.00 1.00 H new ATOM 0 HG11 VAL A 47 87.067 -8.484 14.797 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.947 -7.476 13.335 1.00 1.00 H new ATOM 0 HG13 VAL A 47 88.161 -7.097 14.579 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.351 -7.567 17.008 1.00 1.00 H new ATOM 0 HG22 VAL A 47 87.444 -6.181 16.788 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.718 -5.908 17.121 1.00 1.00 H new ATOM 740 N GLN A 48 84.133 -4.877 15.697 1.00 1.00 N ATOM 741 CA GLN A 48 82.839 -4.195 15.982 1.00 1.00 C ATOM 742 C GLN A 48 83.072 -2.690 16.131 1.00 1.00 C ATOM 743 O GLN A 48 83.376 -2.202 17.201 1.00 1.00 O ATOM 744 CB GLN A 48 82.245 -4.750 17.279 1.00 1.00 C ATOM 745 CG GLN A 48 81.837 -6.210 17.070 1.00 1.00 C ATOM 746 CD GLN A 48 80.561 -6.268 16.229 1.00 1.00 C ATOM 747 OE1 GLN A 48 79.651 -5.489 16.430 1.00 1.00 O ATOM 748 NE2 GLN A 48 80.455 -7.166 15.288 1.00 1.00 N ATOM 0 H GLN A 48 84.305 -5.724 16.240 1.00 1.00 H new ATOM 0 HA GLN A 48 82.148 -4.373 15.158 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.974 -4.677 18.086 1.00 1.00 H new ATOM 0 HB3 GLN A 48 81.379 -4.159 17.577 1.00 1.00 H new ATOM 0 HG2 GLN A 48 82.639 -6.755 16.572 1.00 1.00 H new ATOM 0 HG3 GLN A 48 81.673 -6.694 18.033 1.00 1.00 H new ATOM 0 HE21 GLN A 48 81.219 -7.820 15.119 1.00 1.00 H new ATOM 0 HE22 GLN A 48 79.608 -7.214 14.721 1.00 1.00 H new ATOM 757 N GLY A 49 82.932 -1.951 15.064 1.00 1.00 N ATOM 758 CA GLY A 49 83.145 -0.477 15.143 1.00 1.00 C ATOM 759 C GLY A 49 83.537 0.058 13.765 1.00 1.00 C ATOM 760 O GLY A 49 83.735 -0.693 12.830 1.00 1.00 O ATOM 0 H GLY A 49 82.679 -2.304 14.141 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.236 0.014 15.490 1.00 1.00 H new ATOM 0 HA3 GLY A 49 83.926 -0.250 15.868 1.00 1.00 H new ATOM 764 N CYS A 50 83.653 1.351 13.630 1.00 1.00 N ATOM 765 CA CYS A 50 84.033 1.935 12.314 1.00 1.00 C ATOM 766 C CYS A 50 84.728 3.279 12.539 1.00 1.00 C ATOM 767 O CYS A 50 85.155 3.593 13.632 1.00 1.00 O ATOM 768 CB CYS A 50 82.775 2.141 11.467 1.00 1.00 C ATOM 769 SG CYS A 50 82.292 0.568 10.713 1.00 1.00 S ATOM 0 H CYS A 50 83.500 2.029 14.377 1.00 1.00 H new ATOM 0 HA CYS A 50 84.711 1.259 11.794 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.964 2.523 12.087 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.962 2.885 10.693 1.00 1.00 H new ATOM 774 N GLY A 51 84.844 4.076 11.514 1.00 1.00 N ATOM 775 CA GLY A 51 85.511 5.400 11.670 1.00 1.00 C ATOM 776 C GLY A 51 85.067 6.333 10.543 1.00 1.00 C ATOM 777 O GLY A 51 83.898 6.426 10.225 1.00 1.00 O ATOM 0 H GLY A 51 84.506 3.868 10.574 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.258 5.835 12.637 1.00 1.00 H new ATOM 0 HA3 GLY A 51 86.594 5.278 11.649 1.00 1.00 H new ATOM 781 N ASP A 52 85.992 7.026 9.935 1.00 1.00 N ATOM 782 CA ASP A 52 85.622 7.953 8.828 1.00 1.00 C ATOM 783 C ASP A 52 84.574 8.950 9.326 1.00 1.00 C ATOM 784 O ASP A 52 83.415 8.620 9.483 1.00 1.00 O ATOM 785 CB ASP A 52 85.047 7.149 7.661 1.00 1.00 C ATOM 786 CG ASP A 52 84.989 8.031 6.413 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.008 8.159 5.754 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.927 8.564 6.136 1.00 1.00 O ATOM 0 H ASP A 52 86.987 6.990 10.157 1.00 1.00 H new ATOM 0 HA ASP A 52 86.508 8.494 8.495 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.665 6.272 7.471 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.049 6.788 7.911 1.00 1.00 H new ATOM 793 N ASP A 53 84.970 10.168 9.576 1.00 1.00 N ATOM 794 CA ASP A 53 83.995 11.184 10.064 1.00 1.00 C ATOM 795 C ASP A 53 83.176 10.590 11.213 1.00 1.00 C ATOM 796 O ASP A 53 83.643 10.480 12.329 1.00 1.00 O ATOM 797 CB ASP A 53 83.057 11.580 8.922 1.00 1.00 C ATOM 798 CG ASP A 53 83.873 12.183 7.777 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.533 11.427 7.084 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.825 13.391 7.614 1.00 1.00 O ATOM 0 H ASP A 53 85.927 10.504 9.463 1.00 1.00 H new ATOM 0 HA ASP A 53 84.532 12.065 10.415 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.507 10.707 8.570 1.00 1.00 H new ATOM 0 HB3 ASP A 53 82.320 12.301 9.276 1.00 1.00 H new ATOM 805 N ILE A 54 81.959 10.203 10.946 1.00 1.00 N ATOM 806 CA ILE A 54 81.112 9.612 12.019 1.00 1.00 C ATOM 807 C ILE A 54 81.910 8.515 12.742 1.00 1.00 C ATOM 808 O ILE A 54 82.434 7.618 12.113 1.00 1.00 O ATOM 809 CB ILE A 54 79.852 9.009 11.382 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.830 10.119 11.127 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.248 7.970 12.328 1.00 1.00 C ATOM 812 CD1 ILE A 54 77.719 9.592 10.217 1.00 1.00 C ATOM 0 H ILE A 54 81.515 10.271 10.030 1.00 1.00 H new ATOM 0 HA ILE A 54 80.823 10.379 12.738 1.00 1.00 H new ATOM 0 HB ILE A 54 80.116 8.531 10.438 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.408 10.463 12.071 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.317 10.977 10.664 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.353 7.542 11.875 1.00 1.00 H new ATOM 0 HG22 ILE A 54 79.975 7.179 12.512 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.984 8.447 13.272 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.991 10.383 10.036 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.148 9.269 9.268 1.00 1.00 H new ATOM 0 HD13 ILE A 54 77.225 8.748 10.698 1.00 1.00 H new ATOM 824 N PRO A 55 82.009 8.579 14.051 1.00 1.00 N ATOM 825 CA PRO A 55 82.764 7.562 14.841 1.00 1.00 C ATOM 826 C PRO A 55 82.027 6.219 14.912 1.00 1.00 C ATOM 827 O PRO A 55 82.071 5.526 15.909 1.00 1.00 O ATOM 828 CB PRO A 55 82.880 8.194 16.232 1.00 1.00 C ATOM 829 CG PRO A 55 81.715 9.124 16.334 1.00 1.00 C ATOM 830 CD PRO A 55 81.417 9.614 14.914 1.00 1.00 C ATOM 0 HA PRO A 55 83.729 7.331 14.391 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.849 7.435 17.014 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.823 8.729 16.345 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.849 8.615 16.757 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.945 9.962 16.992 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.345 9.713 14.742 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.861 10.592 14.727 1.00 1.00 H new ATOM 838 N GLY A 56 81.354 5.846 13.858 1.00 1.00 N ATOM 839 CA GLY A 56 80.621 4.548 13.864 1.00 1.00 C ATOM 840 C GLY A 56 79.290 4.709 14.600 1.00 1.00 C ATOM 841 O GLY A 56 78.955 3.932 15.472 1.00 1.00 O ATOM 0 H GLY A 56 81.280 6.383 12.994 1.00 1.00 H new ATOM 0 HA2 GLY A 56 80.444 4.215 12.841 1.00 1.00 H new ATOM 0 HA3 GLY A 56 81.225 3.781 14.349 1.00 1.00 H new ATOM 845 N MET A 57 78.526 5.710 14.257 1.00 1.00 N ATOM 846 CA MET A 57 77.216 5.916 14.936 1.00 1.00 C ATOM 847 C MET A 57 76.148 5.069 14.243 1.00 1.00 C ATOM 848 O MET A 57 75.111 4.777 14.806 1.00 1.00 O ATOM 849 CB MET A 57 76.827 7.394 14.857 1.00 1.00 C ATOM 850 CG MET A 57 75.703 7.681 15.855 1.00 1.00 C ATOM 851 SD MET A 57 74.928 9.266 15.451 1.00 1.00 S ATOM 852 CE MET A 57 75.979 10.305 16.496 1.00 1.00 C ATOM 0 H MET A 57 78.753 6.394 13.535 1.00 1.00 H new ATOM 0 HA MET A 57 77.296 5.618 15.981 1.00 1.00 H new ATOM 0 HB2 MET A 57 77.691 8.021 15.077 1.00 1.00 H new ATOM 0 HB3 MET A 57 76.502 7.642 13.846 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.961 6.883 15.823 1.00 1.00 H new ATOM 0 HG3 MET A 57 76.101 7.707 16.870 1.00 1.00 H new ATOM 0 HE1 MET A 57 75.672 11.346 16.400 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.881 9.992 17.536 1.00 1.00 H new ATOM 0 HE3 MET A 57 77.018 10.203 16.183 1.00 1.00 H new ATOM 862 N GLU A 58 76.393 4.672 13.024 1.00 1.00 N ATOM 863 CA GLU A 58 75.392 3.845 12.295 1.00 1.00 C ATOM 864 C GLU A 58 74.050 4.580 12.266 1.00 1.00 C ATOM 865 O GLU A 58 73.012 4.009 12.535 1.00 1.00 O ATOM 866 CB GLU A 58 75.224 2.501 13.007 1.00 1.00 C ATOM 867 CG GLU A 58 76.602 1.919 13.330 1.00 1.00 C ATOM 868 CD GLU A 58 76.454 0.452 13.737 1.00 1.00 C ATOM 869 OE1 GLU A 58 76.166 -0.357 12.871 1.00 1.00 O ATOM 870 OE2 GLU A 58 76.632 0.162 14.909 1.00 1.00 O ATOM 0 H GLU A 58 77.243 4.885 12.502 1.00 1.00 H new ATOM 0 HA GLU A 58 75.735 3.673 11.275 1.00 1.00 H new ATOM 0 HB2 GLU A 58 74.649 2.632 13.924 1.00 1.00 H new ATOM 0 HB3 GLU A 58 74.665 1.810 12.376 1.00 1.00 H new ATOM 0 HG2 GLU A 58 77.256 2.002 12.462 1.00 1.00 H new ATOM 0 HG3 GLU A 58 77.068 2.486 14.136 1.00 1.00 H new ATOM 877 N GLY A 59 74.064 5.844 11.940 1.00 1.00 N ATOM 878 CA GLY A 59 72.791 6.616 11.893 1.00 1.00 C ATOM 879 C GLY A 59 72.982 7.866 11.032 1.00 1.00 C ATOM 880 O GLY A 59 73.086 8.967 11.534 1.00 1.00 O ATOM 0 H GLY A 59 74.902 6.375 11.704 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.993 5.997 11.482 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.488 6.899 12.901 1.00 1.00 H new ATOM 884 N CYS A 60 73.029 7.705 9.737 1.00 1.00 N ATOM 885 CA CYS A 60 73.214 8.884 8.844 1.00 1.00 C ATOM 886 C CYS A 60 71.845 9.436 8.438 1.00 1.00 C ATOM 887 O CYS A 60 71.744 10.476 7.817 1.00 1.00 O ATOM 888 CB CYS A 60 73.984 8.460 7.591 1.00 1.00 C ATOM 889 SG CYS A 60 75.499 7.596 8.076 1.00 1.00 S ATOM 0 H CYS A 60 72.947 6.808 9.259 1.00 1.00 H new ATOM 0 HA CYS A 60 73.775 9.655 9.372 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.364 7.810 6.973 1.00 1.00 H new ATOM 0 HB3 CYS A 60 74.229 9.335 6.988 1.00 1.00 H new ATOM 894 N GLY A 61 70.790 8.744 8.781 1.00 1.00 N ATOM 895 CA GLY A 61 69.422 9.220 8.416 1.00 1.00 C ATOM 896 C GLY A 61 68.598 8.039 7.902 1.00 1.00 C ATOM 897 O GLY A 61 68.181 8.010 6.761 1.00 1.00 O ATOM 0 H GLY A 61 70.817 7.866 9.300 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.936 9.667 9.283 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.486 9.994 7.652 1.00 1.00 H new ATOM 901 N THR A 62 68.369 7.059 8.736 1.00 1.00 N ATOM 902 CA THR A 62 67.580 5.868 8.305 1.00 1.00 C ATOM 903 C THR A 62 68.144 5.319 6.992 1.00 1.00 C ATOM 904 O THR A 62 67.600 4.402 6.410 1.00 1.00 O ATOM 905 CB THR A 62 66.112 6.259 8.112 1.00 1.00 C ATOM 906 OG1 THR A 62 66.040 7.481 7.391 1.00 1.00 O ATOM 907 CG2 THR A 62 65.443 6.430 9.477 1.00 1.00 C ATOM 0 H THR A 62 68.696 7.032 9.702 1.00 1.00 H new ATOM 0 HA THR A 62 67.648 5.099 9.074 1.00 1.00 H new ATOM 0 HB THR A 62 65.598 5.476 7.554 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.729 7.491 6.694 1.00 1.00 H new ATOM 0 HG21 THR A 62 64.398 6.708 9.338 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.498 5.492 10.029 1.00 1.00 H new ATOM 0 HG23 THR A 62 65.955 7.212 10.038 1.00 1.00 H new ATOM 915 N ASP A 63 69.232 5.867 6.524 1.00 1.00 N ATOM 916 CA ASP A 63 69.831 5.367 5.256 1.00 1.00 C ATOM 917 C ASP A 63 70.436 3.983 5.502 1.00 1.00 C ATOM 918 O ASP A 63 71.573 3.724 5.162 1.00 1.00 O ATOM 919 CB ASP A 63 70.928 6.331 4.794 1.00 1.00 C ATOM 920 CG ASP A 63 70.289 7.559 4.142 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.486 8.202 4.798 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.613 7.834 2.999 1.00 1.00 O ATOM 0 H ASP A 63 69.731 6.639 6.965 1.00 1.00 H new ATOM 0 HA ASP A 63 69.063 5.301 4.486 1.00 1.00 H new ATOM 0 HB2 ASP A 63 71.541 6.635 5.643 1.00 1.00 H new ATOM 0 HB3 ASP A 63 71.589 5.833 4.085 1.00 1.00 H new ATOM 927 N ILE A 64 69.687 3.093 6.096 1.00 1.00 N ATOM 928 CA ILE A 64 70.220 1.730 6.370 1.00 1.00 C ATOM 929 C ILE A 64 69.088 0.705 6.224 1.00 1.00 C ATOM 930 O ILE A 64 68.760 0.283 5.133 1.00 1.00 O ATOM 931 CB ILE A 64 70.794 1.687 7.794 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.148 0.243 8.156 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.753 2.218 8.781 1.00 1.00 C ATOM 934 CD1 ILE A 64 72.296 0.237 9.168 1.00 1.00 C ATOM 0 H ILE A 64 68.728 3.253 6.403 1.00 1.00 H new ATOM 0 HA ILE A 64 71.011 1.490 5.660 1.00 1.00 H new ATOM 0 HB ILE A 64 71.690 2.306 7.843 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.277 -0.262 8.575 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.436 -0.308 7.260 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.161 2.187 9.791 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.499 3.246 8.523 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.857 1.599 8.732 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.548 -0.792 9.426 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.167 0.726 8.733 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.991 0.772 10.067 1.00 1.00 H new ATOM 946 N THR A 65 68.489 0.302 7.310 1.00 1.00 N ATOM 947 CA THR A 65 67.383 -0.694 7.231 1.00 1.00 C ATOM 948 C THR A 65 66.246 -0.131 6.375 1.00 1.00 C ATOM 949 O THR A 65 66.007 -0.582 5.272 1.00 1.00 O ATOM 950 CB THR A 65 66.865 -0.992 8.641 1.00 1.00 C ATOM 951 OG1 THR A 65 67.964 -1.092 9.535 1.00 1.00 O ATOM 952 CG2 THR A 65 66.088 -2.310 8.634 1.00 1.00 C ATOM 0 H THR A 65 68.718 0.620 8.252 1.00 1.00 H new ATOM 0 HA THR A 65 67.754 -1.614 6.778 1.00 1.00 H new ATOM 0 HB THR A 65 66.205 -0.187 8.964 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.635 -1.281 10.438 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.720 -2.521 9.638 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.245 -2.232 7.948 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.745 -3.118 8.311 1.00 1.00 H new ATOM 960 N VAL A 66 65.542 0.852 6.872 1.00 1.00 N ATOM 961 CA VAL A 66 64.423 1.440 6.081 1.00 1.00 C ATOM 962 C VAL A 66 64.895 1.692 4.649 1.00 1.00 C ATOM 963 O VAL A 66 64.273 1.268 3.695 1.00 1.00 O ATOM 964 CB VAL A 66 63.987 2.762 6.715 1.00 1.00 C ATOM 965 CG1 VAL A 66 62.653 3.203 6.111 1.00 1.00 C ATOM 966 CG2 VAL A 66 63.824 2.573 8.225 1.00 1.00 C ATOM 0 H VAL A 66 65.694 1.272 7.789 1.00 1.00 H new ATOM 0 HA VAL A 66 63.580 0.749 6.072 1.00 1.00 H new ATOM 0 HB VAL A 66 64.742 3.524 6.522 1.00 1.00 H new ATOM 0 HG11 VAL A 66 62.343 4.145 6.563 1.00 1.00 H new ATOM 0 HG12 VAL A 66 62.767 3.337 5.035 1.00 1.00 H new ATOM 0 HG13 VAL A 66 61.897 2.442 6.304 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.513 3.514 8.678 1.00 1.00 H new ATOM 0 HG22 VAL A 66 63.068 1.811 8.417 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.774 2.259 8.657 1.00 1.00 H new ATOM 976 N ILE A 67 65.998 2.375 4.494 1.00 1.00 N ATOM 977 CA ILE A 67 66.527 2.654 3.128 1.00 1.00 C ATOM 978 C ILE A 67 68.031 2.375 3.109 1.00 1.00 C ATOM 979 O ILE A 67 68.836 3.240 3.394 1.00 1.00 O ATOM 980 CB ILE A 67 66.276 4.120 2.771 1.00 1.00 C ATOM 981 CG1 ILE A 67 64.770 4.365 2.655 1.00 1.00 C ATOM 982 CG2 ILE A 67 66.948 4.443 1.435 1.00 1.00 C ATOM 983 CD1 ILE A 67 64.501 5.868 2.575 1.00 1.00 C ATOM 0 H ILE A 67 66.557 2.753 5.259 1.00 1.00 H new ATOM 0 HA ILE A 67 66.024 2.016 2.402 1.00 1.00 H new ATOM 0 HB ILE A 67 66.691 4.759 3.550 1.00 1.00 H new ATOM 0 HG12 ILE A 67 64.377 3.867 1.768 1.00 1.00 H new ATOM 0 HG13 ILE A 67 64.254 3.938 3.515 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.769 5.488 1.181 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.021 4.268 1.516 1.00 1.00 H new ATOM 0 HG23 ILE A 67 66.534 3.804 0.655 1.00 1.00 H new ATOM 0 HD11 ILE A 67 63.428 6.042 2.492 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.879 6.354 3.475 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.004 6.282 1.701 1.00 1.00 H new ATOM 995 N CYS A 68 68.418 1.174 2.775 1.00 1.00 N ATOM 996 CA CYS A 68 69.870 0.841 2.739 1.00 1.00 C ATOM 997 C CYS A 68 70.424 1.159 1.345 1.00 1.00 C ATOM 998 O CYS A 68 69.774 0.923 0.347 1.00 1.00 O ATOM 999 CB CYS A 68 70.056 -0.651 3.042 1.00 1.00 C ATOM 1000 SG CYS A 68 71.091 -0.846 4.514 1.00 1.00 S ATOM 0 H CYS A 68 67.791 0.409 2.526 1.00 1.00 H new ATOM 0 HA CYS A 68 70.404 1.429 3.485 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.087 -1.124 3.201 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.519 -1.151 2.191 1.00 1.00 H new ATOM 1005 N PRO A 69 71.620 1.691 1.269 1.00 1.00 N ATOM 1006 CA PRO A 69 72.256 2.039 -0.029 1.00 1.00 C ATOM 1007 C PRO A 69 71.980 0.987 -1.109 1.00 1.00 C ATOM 1008 O PRO A 69 71.981 1.280 -2.289 1.00 1.00 O ATOM 1009 CB PRO A 69 73.746 2.089 0.310 1.00 1.00 C ATOM 1010 CG PRO A 69 73.806 2.476 1.753 1.00 1.00 C ATOM 1011 CD PRO A 69 72.497 2.014 2.405 1.00 1.00 C ATOM 0 HA PRO A 69 71.870 2.972 -0.439 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.221 1.123 0.141 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.268 2.814 -0.314 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.663 2.011 2.240 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.927 3.554 1.857 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.656 1.146 3.044 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.066 2.796 3.030 1.00 1.00 H new ATOM 1019 N TRP A 70 71.745 -0.234 -0.715 1.00 1.00 N ATOM 1020 CA TRP A 70 71.470 -1.302 -1.717 1.00 1.00 C ATOM 1021 C TRP A 70 70.193 -0.961 -2.491 1.00 1.00 C ATOM 1022 O TRP A 70 69.867 -1.590 -3.477 1.00 1.00 O ATOM 1023 CB TRP A 70 71.296 -2.643 -0.997 1.00 1.00 C ATOM 1024 CG TRP A 70 70.797 -3.668 -1.964 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.251 -3.831 -3.227 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.758 -4.673 -1.769 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.560 -4.870 -3.822 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.629 -5.422 -2.965 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.926 -5.004 -0.686 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.704 -6.463 -3.078 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.997 -6.049 -0.797 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.885 -6.777 -1.989 1.00 1.00 C ATOM 0 H TRP A 70 71.731 -0.539 0.258 1.00 1.00 H new ATOM 0 HA TRP A 70 72.305 -1.372 -2.414 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.246 -2.964 -0.569 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.594 -2.535 -0.170 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.028 -3.245 -3.695 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.719 -5.190 -4.778 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.002 -4.450 0.238 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.622 -7.021 -3.999 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.363 -6.294 0.042 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.167 -7.580 -2.067 1.00 1.00 H new ATOM 1043 N GLU A 71 69.469 0.033 -2.053 1.00 1.00 N ATOM 1044 CA GLU A 71 68.218 0.414 -2.766 1.00 1.00 C ATOM 1045 C GLU A 71 68.577 1.063 -4.103 1.00 1.00 C ATOM 1046 O GLU A 71 68.034 0.723 -5.136 1.00 1.00 O ATOM 1047 CB GLU A 71 67.424 1.407 -1.911 1.00 1.00 C ATOM 1048 CG GLU A 71 66.667 0.650 -0.819 1.00 1.00 C ATOM 1049 CD GLU A 71 65.468 -0.074 -1.436 1.00 1.00 C ATOM 1050 OE1 GLU A 71 64.560 0.604 -1.887 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.479 -1.294 -1.446 1.00 1.00 O ATOM 0 H GLU A 71 69.690 0.597 -1.232 1.00 1.00 H new ATOM 0 HA GLU A 71 67.612 -0.475 -2.943 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.098 2.136 -1.462 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.724 1.962 -2.535 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.329 -0.068 -0.334 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.329 1.343 -0.049 1.00 1.00 H new ATOM 1058 N ALA A 72 69.489 1.996 -4.092 1.00 1.00 N ATOM 1059 CA ALA A 72 69.884 2.667 -5.361 1.00 1.00 C ATOM 1060 C ALA A 72 70.600 1.662 -6.267 1.00 1.00 C ATOM 1061 O ALA A 72 70.100 1.282 -7.307 1.00 1.00 O ATOM 1062 CB ALA A 72 70.822 3.835 -5.046 1.00 1.00 C ATOM 0 H ALA A 72 69.978 2.322 -3.258 1.00 1.00 H new ATOM 0 HA ALA A 72 68.996 3.042 -5.869 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.113 4.328 -5.973 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.310 4.549 -4.400 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.712 3.461 -4.540 1.00 1.00 H new ATOM 1068 N CYS A 73 71.767 1.225 -5.878 1.00 1.00 N ATOM 1069 CA CYS A 73 72.512 0.243 -6.715 1.00 1.00 C ATOM 1070 C CYS A 73 71.854 -1.133 -6.590 1.00 1.00 C ATOM 1071 O CYS A 73 72.394 -2.038 -5.987 1.00 1.00 O ATOM 1072 CB CYS A 73 73.963 0.161 -6.234 1.00 1.00 C ATOM 1073 SG CYS A 73 74.734 1.794 -6.358 1.00 1.00 S ATOM 0 H CYS A 73 72.236 1.506 -5.017 1.00 1.00 H new ATOM 0 HA CYS A 73 72.493 0.562 -7.757 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.996 -0.191 -5.203 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.516 -0.561 -6.835 1.00 1.00 H new ATOM 1078 N ASN A 74 70.688 -1.295 -7.155 1.00 1.00 N ATOM 1079 CA ASN A 74 69.992 -2.609 -7.067 1.00 1.00 C ATOM 1080 C ASN A 74 70.938 -3.722 -7.523 1.00 1.00 C ATOM 1081 O ASN A 74 71.154 -4.691 -6.822 1.00 1.00 O ATOM 1082 CB ASN A 74 68.755 -2.592 -7.968 1.00 1.00 C ATOM 1083 CG ASN A 74 69.129 -2.028 -9.340 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.069 -2.803 -10.389 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 69.480 -0.871 -9.459 1.00 1.00 N flip ATOM 0 H ASN A 74 70.188 -0.573 -7.674 1.00 1.00 H new ATOM 0 HA ASN A 74 69.690 -2.790 -6.036 1.00 1.00 H new ATOM 0 HB2 ASN A 74 68.356 -3.601 -8.074 1.00 1.00 H new ATOM 0 HB3 ASN A 74 67.971 -1.985 -7.515 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.527 -0.265 -8.640 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.728 -0.505 -10.378 1.00 1.00 H new ATOM 1092 N HIS A 75 71.505 -3.591 -8.691 1.00 1.00 N ATOM 1093 CA HIS A 75 72.437 -4.641 -9.191 1.00 1.00 C ATOM 1094 C HIS A 75 73.425 -5.017 -8.085 1.00 1.00 C ATOM 1095 O HIS A 75 74.300 -4.250 -7.736 1.00 1.00 O ATOM 1096 CB HIS A 75 73.207 -4.103 -10.399 1.00 1.00 C ATOM 1097 CG HIS A 75 73.907 -2.827 -10.020 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.428 -1.591 -9.656 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 75.289 -2.723 -9.987 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 74.498 -0.738 -9.402 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 75.595 -1.467 -9.615 1.00 1.00 N flip ATOM 0 H HIS A 75 71.363 -2.802 -9.321 1.00 1.00 H new ATOM 0 HA HIS A 75 71.867 -5.523 -9.484 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.933 -4.841 -10.739 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.523 -3.923 -11.229 1.00 1.00 H new ATOM 0 HD2 HIS A 75 75.993 -3.509 -10.218 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.450 0.297 -9.097 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.547 -1.116 -9.509 1.00 1.00 H new ATOM 1110 N CYS A 76 73.291 -6.193 -7.529 1.00 1.00 N ATOM 1111 CA CYS A 76 74.220 -6.622 -6.443 1.00 1.00 C ATOM 1112 C CYS A 76 75.229 -7.628 -7.005 1.00 1.00 C ATOM 1113 O CYS A 76 75.017 -8.824 -6.971 1.00 1.00 O ATOM 1114 CB CYS A 76 73.413 -7.269 -5.311 1.00 1.00 C ATOM 1115 SG CYS A 76 73.991 -6.633 -3.718 1.00 1.00 S ATOM 0 H CYS A 76 72.576 -6.876 -7.781 1.00 1.00 H new ATOM 0 HA CYS A 76 74.756 -5.757 -6.053 1.00 1.00 H new ATOM 0 HB2 CYS A 76 72.352 -7.054 -5.437 1.00 1.00 H new ATOM 0 HB3 CYS A 76 73.524 -8.353 -5.344 1.00 1.00 H new ATOM 1120 N GLU A 77 76.327 -7.152 -7.527 1.00 1.00 N ATOM 1121 CA GLU A 77 77.349 -8.079 -8.092 1.00 1.00 C ATOM 1122 C GLU A 77 78.061 -8.809 -6.951 1.00 1.00 C ATOM 1123 O GLU A 77 77.458 -9.162 -5.956 1.00 1.00 O ATOM 1124 CB GLU A 77 78.367 -7.278 -8.905 1.00 1.00 C ATOM 1125 CG GLU A 77 77.645 -6.518 -10.020 1.00 1.00 C ATOM 1126 CD GLU A 77 77.086 -7.514 -11.037 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.539 -8.646 -11.040 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.213 -7.127 -11.797 1.00 1.00 O ATOM 0 H GLU A 77 76.560 -6.161 -7.587 1.00 1.00 H new ATOM 0 HA GLU A 77 76.863 -8.809 -8.739 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.896 -6.579 -8.258 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.115 -7.947 -9.331 1.00 1.00 H new ATOM 0 HG2 GLU A 77 76.837 -5.918 -9.601 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.333 -5.829 -10.510 1.00 1.00 H new ATOM 1135 N LEU A 78 79.342 -9.039 -7.082 1.00 1.00 N ATOM 1136 CA LEU A 78 80.085 -9.744 -5.999 1.00 1.00 C ATOM 1137 C LEU A 78 81.569 -9.356 -6.050 1.00 1.00 C ATOM 1138 O LEU A 78 82.234 -9.297 -5.035 1.00 1.00 O ATOM 1139 CB LEU A 78 79.919 -11.262 -6.167 1.00 1.00 C ATOM 1140 CG LEU A 78 80.759 -11.749 -7.349 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.068 -12.349 -6.833 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.980 -12.816 -8.121 1.00 1.00 C ATOM 0 H LEU A 78 79.903 -8.769 -7.890 1.00 1.00 H new ATOM 0 HA LEU A 78 79.683 -9.451 -5.029 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.227 -11.774 -5.255 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.869 -11.506 -6.330 1.00 1.00 H new ATOM 0 HG LEU A 78 80.979 -10.909 -8.008 1.00 1.00 H new ATOM 0 HD11 LEU A 78 82.666 -12.696 -7.676 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.623 -11.590 -6.281 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.848 -13.189 -6.174 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.577 -13.164 -8.964 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.760 -13.655 -7.461 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.047 -12.390 -8.489 1.00 1.00 H new ATOM 1154 N HIS A 79 82.091 -9.080 -7.218 1.00 1.00 N ATOM 1155 CA HIS A 79 83.529 -8.686 -7.321 1.00 1.00 C ATOM 1156 C HIS A 79 83.858 -8.310 -8.769 1.00 1.00 C ATOM 1157 O HIS A 79 83.176 -7.514 -9.383 1.00 1.00 O ATOM 1158 CB HIS A 79 84.422 -9.853 -6.882 1.00 1.00 C ATOM 1159 CG HIS A 79 85.859 -9.410 -6.876 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.901 -10.277 -7.171 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.445 -8.195 -6.613 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.048 -9.581 -7.080 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.825 -8.309 -6.744 1.00 1.00 N ATOM 0 H HIS A 79 81.585 -9.110 -8.103 1.00 1.00 H new ATOM 0 HA HIS A 79 83.711 -7.829 -6.672 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.131 -10.194 -5.888 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.294 -10.698 -7.559 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.916 -7.292 -6.346 1.00 1.00 H new ATOM 0 HE1 HIS A 79 89.028 -9.999 -7.257 1.00 1.00 H new ATOM 0 HE2 HIS A 79 88.520 -7.575 -6.611 1.00 1.00 H new ATOM 1172 N GLU A 80 84.899 -8.876 -9.318 1.00 1.00 N ATOM 1173 CA GLU A 80 85.273 -8.548 -10.723 1.00 1.00 C ATOM 1174 C GLU A 80 84.219 -9.114 -11.676 1.00 1.00 C ATOM 1175 O GLU A 80 84.115 -8.704 -12.816 1.00 1.00 O ATOM 1176 CB GLU A 80 86.638 -9.164 -11.043 1.00 1.00 C ATOM 1177 CG GLU A 80 87.743 -8.320 -10.405 1.00 1.00 C ATOM 1178 CD GLU A 80 89.078 -9.057 -10.516 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.273 -9.744 -11.506 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.884 -8.923 -9.610 1.00 1.00 O ATOM 0 H GLU A 80 85.506 -9.551 -8.854 1.00 1.00 H new ATOM 0 HA GLU A 80 85.326 -7.466 -10.844 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.684 -10.186 -10.667 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.782 -9.214 -12.122 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.808 -7.352 -10.901 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.509 -8.126 -9.358 1.00 1.00 H new ATOM 1187 N LEU A 81 83.431 -10.048 -11.220 1.00 1.00 N ATOM 1188 CA LEU A 81 82.382 -10.633 -12.102 1.00 1.00 C ATOM 1189 C LEU A 81 81.278 -9.595 -12.313 1.00 1.00 C ATOM 1190 O LEU A 81 80.203 -9.902 -12.788 1.00 1.00 O ATOM 1191 CB LEU A 81 81.784 -11.881 -11.440 1.00 1.00 C ATOM 1192 CG LEU A 81 82.823 -13.003 -11.422 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.259 -13.319 -12.854 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.039 -12.557 -10.607 1.00 1.00 C ATOM 0 H LEU A 81 83.468 -10.431 -10.275 1.00 1.00 H new ATOM 0 HA LEU A 81 82.823 -10.911 -13.059 1.00 1.00 H new ATOM 0 HB2 LEU A 81 81.468 -11.649 -10.423 1.00 1.00 H new ATOM 0 HB3 LEU A 81 80.896 -12.203 -11.984 1.00 1.00 H new ATOM 0 HG LEU A 81 82.387 -13.894 -10.970 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.000 -14.119 -12.841 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.394 -13.635 -13.436 1.00 1.00 H new ATOM 0 HD13 LEU A 81 83.695 -12.428 -13.307 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.781 -13.356 -10.593 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.474 -11.666 -11.060 1.00 1.00 H new ATOM 0 HD23 LEU A 81 83.730 -12.331 -9.586 1.00 1.00 H new ATOM 1206 N ALA A 82 81.540 -8.367 -11.960 1.00 1.00 N ATOM 1207 CA ALA A 82 80.514 -7.301 -12.131 1.00 1.00 C ATOM 1208 C ALA A 82 80.161 -7.157 -13.614 1.00 1.00 C ATOM 1209 O ALA A 82 80.564 -7.954 -14.438 1.00 1.00 O ATOM 1210 CB ALA A 82 81.074 -5.978 -11.606 1.00 1.00 C ATOM 0 H ALA A 82 82.424 -8.055 -11.559 1.00 1.00 H new ATOM 0 HA ALA A 82 79.615 -7.566 -11.574 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.328 -5.193 -11.728 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.322 -6.082 -10.550 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.972 -5.715 -12.165 1.00 1.00 H new ATOM 1216 N GLN A 83 79.409 -6.147 -13.959 1.00 1.00 N ATOM 1217 CA GLN A 83 79.027 -5.950 -15.386 1.00 1.00 C ATOM 1218 C GLN A 83 78.674 -4.479 -15.617 1.00 1.00 C ATOM 1219 O GLN A 83 77.989 -4.134 -16.558 1.00 1.00 O ATOM 1220 CB GLN A 83 77.815 -6.828 -15.717 1.00 1.00 C ATOM 1221 CG GLN A 83 77.753 -7.067 -17.227 1.00 1.00 C ATOM 1222 CD GLN A 83 76.417 -7.719 -17.587 1.00 1.00 C ATOM 1223 OE1 GLN A 83 75.734 -7.276 -18.489 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.012 -8.762 -16.914 1.00 1.00 N ATOM 0 H GLN A 83 79.042 -5.449 -13.312 1.00 1.00 H new ATOM 0 HA GLN A 83 79.861 -6.229 -16.030 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.888 -7.780 -15.190 1.00 1.00 H new ATOM 0 HB3 GLN A 83 76.899 -6.345 -15.377 1.00 1.00 H new ATOM 0 HG2 GLN A 83 77.864 -6.123 -17.760 1.00 1.00 H new ATOM 0 HG3 GLN A 83 78.578 -7.708 -17.538 1.00 1.00 H new ATOM 0 HE21 GLN A 83 76.585 -9.134 -16.157 1.00 1.00 H new ATOM 0 HE22 GLN A 83 75.123 -9.205 -17.146 1.00 1.00 H new ATOM 1233 N TYR A 84 79.137 -3.608 -14.762 1.00 1.00 N ATOM 1234 CA TYR A 84 78.828 -2.159 -14.931 1.00 1.00 C ATOM 1235 C TYR A 84 79.924 -1.321 -14.271 1.00 1.00 C ATOM 1236 O TYR A 84 80.613 -0.562 -14.921 1.00 1.00 O ATOM 1237 CB TYR A 84 77.483 -1.844 -14.273 1.00 1.00 C ATOM 1238 CG TYR A 84 76.366 -2.433 -15.101 1.00 1.00 C ATOM 1239 CD1 TYR A 84 76.053 -1.881 -16.349 1.00 1.00 C ATOM 1240 CD2 TYR A 84 75.642 -3.530 -14.620 1.00 1.00 C ATOM 1241 CE1 TYR A 84 75.017 -2.426 -17.116 1.00 1.00 C ATOM 1242 CE2 TYR A 84 74.606 -4.076 -15.387 1.00 1.00 C ATOM 1243 CZ TYR A 84 74.294 -3.524 -16.635 1.00 1.00 C ATOM 1244 OH TYR A 84 73.272 -4.062 -17.392 1.00 1.00 O ATOM 0 H TYR A 84 79.716 -3.837 -13.954 1.00 1.00 H new ATOM 0 HA TYR A 84 78.779 -1.921 -15.994 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.456 -2.253 -13.263 1.00 1.00 H new ATOM 0 HB3 TYR A 84 77.354 -0.765 -14.184 1.00 1.00 H new ATOM 0 HD1 TYR A 84 76.611 -1.034 -16.720 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.883 -3.955 -13.657 1.00 1.00 H new ATOM 0 HE1 TYR A 84 74.775 -2.000 -18.078 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.048 -4.923 -15.016 1.00 1.00 H new ATOM 0 HH TYR A 84 72.874 -4.819 -16.913 1.00 1.00 H new ATOM 1254 N GLY A 85 80.089 -1.450 -12.981 1.00 1.00 N ATOM 1255 CA GLY A 85 81.142 -0.658 -12.278 1.00 1.00 C ATOM 1256 C GLY A 85 81.807 -1.523 -11.207 1.00 1.00 C ATOM 1257 O GLY A 85 81.713 -1.249 -10.026 1.00 1.00 O ATOM 0 H GLY A 85 79.541 -2.069 -12.384 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.887 -0.310 -12.993 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.701 0.228 -11.822 1.00 1.00 H new ATOM 1261 N ILE A 86 82.480 -2.568 -11.608 1.00 1.00 N ATOM 1262 CA ILE A 86 83.153 -3.452 -10.614 1.00 1.00 C ATOM 1263 C ILE A 86 82.191 -3.747 -9.460 1.00 1.00 C ATOM 1264 O ILE A 86 81.001 -3.894 -9.656 1.00 1.00 O ATOM 1265 CB ILE A 86 84.407 -2.753 -10.077 1.00 1.00 C ATOM 1266 CG1 ILE A 86 85.055 -1.938 -11.199 1.00 1.00 C ATOM 1267 CG2 ILE A 86 85.400 -3.801 -9.571 1.00 1.00 C ATOM 1268 CD1 ILE A 86 86.379 -1.352 -10.705 1.00 1.00 C ATOM 0 H ILE A 86 82.593 -2.848 -12.582 1.00 1.00 H new ATOM 0 HA ILE A 86 83.439 -4.389 -11.092 1.00 1.00 H new ATOM 0 HB ILE A 86 84.130 -2.090 -9.257 1.00 1.00 H new ATOM 0 HG12 ILE A 86 85.228 -2.571 -12.070 1.00 1.00 H new ATOM 0 HG13 ILE A 86 84.386 -1.137 -11.514 1.00 1.00 H new ATOM 0 HG21 ILE A 86 86.291 -3.303 -9.189 1.00 1.00 H new ATOM 0 HG22 ILE A 86 84.939 -4.383 -8.773 1.00 1.00 H new ATOM 0 HG23 ILE A 86 85.678 -4.465 -10.390 1.00 1.00 H new ATOM 0 HD11 ILE A 86 86.841 -0.772 -11.504 1.00 1.00 H new ATOM 0 HD12 ILE A 86 86.193 -0.705 -9.847 1.00 1.00 H new ATOM 0 HD13 ILE A 86 87.048 -2.161 -10.411 1.00 1.00 H new ATOM 1280 N CYS A 87 82.695 -3.833 -8.259 1.00 1.00 N ATOM 1281 CA CYS A 87 81.806 -4.115 -7.096 1.00 1.00 C ATOM 1282 C CYS A 87 81.118 -2.820 -6.657 1.00 1.00 C ATOM 1283 CB CYS A 87 82.637 -4.679 -5.936 1.00 1.00 C ATOM 1284 SG CYS A 87 84.394 -4.377 -6.249 1.00 1.00 S ATOM 0 H CYS A 87 83.683 -3.720 -8.033 1.00 1.00 H new ATOM 0 HA CYS A 87 81.051 -4.847 -7.384 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.338 -4.210 -4.999 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.454 -5.748 -5.830 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.630 -1.675 -0.104 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.476 1.035 -0.369 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.790 -0.527 -2.874 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.337 -3.627 -0.142 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.152 1.774 -0.568 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.232 -2.028 -3.511 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.372 0.903 -0.893 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.610 0.206 -2.321 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.044 -0.151 -1.950 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.375 1.639 -1.882 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.921 -1.277 -2.501 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.379 -3.266 -1.929 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.953 -3.065 -1.341 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.413 -3.091 -2.769 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.278 -2.321 -1.445 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.627 -4.471 -3.397 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.927 -2.734 -2.749 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.789 -1.777 -2.246 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.556 -2.663 -3.771 1.00 1.00 H new HETATM 0 H1YB RCY A 110 61.313 -4.448 -4.441 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.683 -4.736 -3.341 1.00 1.00 H new HETATM 0 H1VB RCY A 110 65.308 -2.709 -2.052 1.00 1.00 H new HETATM 0 H1VA RCY A 110 64.526 -4.059 -1.196 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.585 -1.381 -4.103 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.590 1.402 0.289 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.486 -1.012 -0.233 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.777 -1.100 0.258 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.374 -3.507 -2.216 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.038 -5.212 -2.857 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.089 -3.703 -2.884 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.808 -0.767 -2.877 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.734 2.346 -2.629 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.937 -2.491 -4.201 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.423 2.807 -0.348 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.878 -2.451 0.620 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.019 -7.499 0.067 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.549 -7.190 1.625 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.944 -8.895 -2.737 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.967 -6.019 2.513 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.326 -9.217 0.496 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.729 -5.123 -0.773 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.555 -7.896 0.618 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.055 -8.806 -1.515 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.795 -7.568 -0.666 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.480 -9.917 -0.572 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.981 -6.322 -1.019 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.789 -5.094 -0.702 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.368 -5.687 1.149 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.519 -4.784 0.708 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.734 -6.164 -0.150 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.137 -3.311 0.875 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.761 -5.116 1.535 1.00 1.00 C HETATM 0 H1YB RCY A 121 63.934 -2.681 0.479 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.213 -3.111 0.333 1.00 1.00 H new HETATM 0 H1VB RCY A 121 60.385 -5.424 -1.659 1.00 1.00 H new HETATM 0 H1VA RCY A 121 59.972 -4.933 0.001 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.786 -5.272 -0.992 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.359 -9.070 0.180 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.715 -7.909 -0.896 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.694 -8.197 0.562 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.992 -3.090 1.933 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.724 -6.457 -2.070 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.616 -10.414 -0.130 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.383 -4.310 -1.411 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.356 -9.771 1.434 1.00 1.00 H new HETATM 0 H1C RCY A 121 60.138 -7.343 0.690 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.355 3.163 -8.973 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.982 5.165 -5.580 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.184 6.016 -8.255 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.815 0.606 -9.606 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.226 6.868 -5.503 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.834 3.264 -7.718 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.971 5.657 -6.080 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.194 6.162 -7.569 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.302 5.138 -7.351 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.569 7.403 -6.779 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.646 3.910 -8.196 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.193 2.502 -6.674 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.338 1.653 -8.733 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.771 1.820 -8.231 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.577 2.820 -8.120 1.00 1.00 C HETATM 1343 C1Y RCY A 130 80.059 0.833 -7.096 1.00 1.00 C HETATM 1344 C1Z RCY A 130 80.738 1.601 -9.394 1.00 1.00 C HETATM 0 H1ZB RCY A 130 80.479 2.271 -10.214 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 81.756 1.807 -9.064 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.054 1.022 -6.693 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.318 0.960 -6.307 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.699 3.367 -6.230 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.515 1.649 -6.657 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.727 3.769 -8.086 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.496 6.586 -4.744 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.917 4.097 -8.622 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.658 3.273 -10.014 1.00 1.00 H new HETATM 0 H1Z RCY A 130 80.669 0.568 -9.735 1.00 1.00 H new HETATM 0 H1Y RCY A 130 80.010 -0.186 -7.479 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.091 2.264 -6.103 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.750 4.300 -9.208 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.254 8.038 -7.341 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.880 3.289 -6.629 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.899 7.593 -5.045 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.619 2.363 -8.892 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.338 1.216 1.138 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.781 -0.964 2.038 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.905 1.551 -0.455 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.396 3.963 0.505 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.113 -0.332 2.426 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.394 1.182 -1.939 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.801 -0.408 1.634 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.390 0.688 0.254 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.919 0.292 0.281 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.108 -0.182 1.270 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.845 0.537 -0.781 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.551 1.499 -1.255 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.498 2.820 -0.397 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.376 2.686 -1.639 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.753 1.495 -0.308 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.767 3.461 -2.811 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.778 3.206 -1.320 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.170 2.683 -0.447 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.434 3.031 -2.173 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.359 3.287 -3.709 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.745 3.122 -2.979 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.059 0.527 -1.223 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.847 2.272 -0.947 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.409 0.836 -2.133 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.138 0.515 3.111 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.957 0.198 1.217 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.201 1.332 1.793 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.731 4.275 -1.112 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.763 4.526 -2.580 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.889 1.701 -2.271 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.445 -0.454 -0.994 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.371 -1.151 0.846 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.805 0.955 -2.827 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.295 -1.228 3.020 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.560 1.919 1.435 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.292 0.883 4.849 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.691 1.844 6.000 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.799 -0.826 9.791 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.373 -1.906 4.497 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.901 1.443 8.089 1.00 1.00 C HETATM 1371 C1M RCY A 150 77.983 -1.398 7.452 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.735 1.300 7.102 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.145 0.104 9.065 1.00 1.00 C HETATM 1374 N1R RCY A 150 79.635 0.398 7.659 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.164 1.175 9.406 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.350 -0.091 6.988 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.146 -0.465 4.792 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.309 -1.553 5.432 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.761 -2.394 6.583 1.00 1.00 C HETATM 1380 C1X RCY A 150 78.499 -0.265 5.477 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.829 -3.487 6.051 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.928 -3.010 7.354 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.610 -2.222 7.673 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.548 -3.537 8.229 1.00 1.00 H new HETATM 0 H1YB RCY A 150 77.382 -4.023 6.888 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.042 -3.033 5.449 1.00 1.00 H new HETATM 0 H1VB RCY A 150 76.555 0.447 4.881 1.00 1.00 H new HETATM 0 H1VA RCY A 150 77.302 -0.695 3.738 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.234 -1.522 8.506 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.697 0.722 7.902 1.00 1.00 H new HETATM 0 H1CB RCY A 150 78.777 1.826 5.036 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.289 0.920 5.289 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.459 -3.711 6.711 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.399 -4.184 5.437 1.00 1.00 H new HETATM 0 H1V RCY A 150 76.615 -1.289 5.268 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.612 0.673 7.233 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.680 2.077 9.780 1.00 1.00 H new HETATM 0 H1M RCY A 150 76.909 -1.557 7.359 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.355 2.434 8.059 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.376 0.722 3.774 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.957 7.608 2.068 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.637 3.901 5.029 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.102 7.927 5.154 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.259 6.126 -0.536 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.180 5.478 6.820 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.545 4.306 2.585 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.221 4.922 5.391 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.634 6.827 5.443 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.076 5.794 4.473 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.505 6.247 6.840 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.316 5.670 2.967 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.820 5.412 2.626 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.504 5.534 0.776 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.219 4.221 1.089 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.103 6.087 2.136 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.300 3.029 0.805 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.492 4.131 0.247 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.105 5.016 0.418 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.578 4.017 2.775 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.319 6.125 6.992 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.835 8.007 3.075 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.848 8.039 1.612 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.227 4.072 -0.809 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.173 6.317 2.778 1.00 1.00 H new HETATM 0 H1S RCY A 160 76.342 5.589 7.074 1.00 1.00 H new HETATM 0 H1M RCY A 160 74.913 3.629 3.160 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.143 4.691 7.573 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.619 5.044 3.934 1.00 1.00 C HETATM 1405 O1G RCY A 168 75.205 1.290 2.297 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.606 1.821 3.225 1.00 1.00 O HETATM 1407 O1J RCY A 168 72.661 7.251 2.123 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.526 -0.161 3.328 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.108 3.678 0.844 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.050 1.131 2.688 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.795 1.523 3.315 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.959 2.197 2.598 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.377 0.409 4.167 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.010 3.585 1.956 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.208 4.353 3.561 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.371 5.836 1.912 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.825 5.173 0.648 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.546 4.692 2.901 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.320 5.424 0.520 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.569 5.725 -0.568 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.642 5.591 -0.430 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 72.249 5.192 -1.463 1.00 1.00 H new HETATM 0 H1YB RCY A 168 69.931 4.876 -0.338 1.00 1.00 H new HETATM 0 H1YA RCY A 168 69.816 5.085 1.425 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.336 3.498 4.225 1.00 1.00 H new HETATM 0 H1VA RCY A 168 70.859 5.210 4.137 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.550 3.244 -0.053 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.183 -0.884 2.588 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.519 5.386 3.422 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.347 6.786 -0.679 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.139 6.490 0.382 1.00 1.00 H new HETATM 0 H1V RCY A 168 70.475 4.109 2.792 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.735 0.788 5.124 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.187 3.130 1.043 1.00 1.00 H new HETATM 0 H1L RCY A 168 74.280 -0.661 3.937 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.056 2.749 0.512 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.097 4.117 -1.982 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.412 0.729 -3.882 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.931 0.876 2.585 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.645 3.434 -4.288 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.466 0.542 -0.943 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.541 3.343 -2.760 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.340 1.503 -3.655 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.661 2.172 -2.325 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.382 1.969 -4.656 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.212 1.767 -0.919 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.390 0.508 -0.626 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.651 0.778 1.156 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.556 -0.041 0.473 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.384 1.467 0.014 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.947 -1.520 0.423 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.244 0.145 1.235 1.00 1.00 C HETATM 0 H1ZA RCY A 173 71.439 -0.361 0.702 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.197 -2.076 -0.140 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.917 -1.624 -0.063 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.867 0.996 -1.476 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.148 0.233 0.107 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.907 4.111 -4.717 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.341 -0.279 2.235 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.006 -1.915 1.437 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.872 -0.389 -0.966 1.00 1.00 H new HETATM 0 H1S RCY A 173 76.292 1.373 -4.587 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.879 -0.151 -1.676 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.624 3.779 -4.620 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.884 2.493 1.173 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.352 -2.016 -3.281 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.733 -3.607 -5.521 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.216 -6.065 -1.785 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.971 -1.998 -0.604 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.680 -4.857 -5.060 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.995 -5.151 -1.423 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.085 -4.320 -4.756 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.456 -5.708 -2.937 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.579 -4.781 -3.386 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.684 -6.112 -4.179 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.867 -4.413 -2.646 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.292 -2.530 -1.731 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.939 -3.010 -1.019 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.215 -4.362 -0.364 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.898 -2.952 -2.200 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.058 -4.181 0.902 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.885 -5.039 -0.033 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.276 -5.104 -0.934 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 77.073 -6.042 0.351 1.00 1.00 H new HETATM 0 H1VA RCY A 176 80.247 -1.522 -1.319 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.593 -6.158 -1.532 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.895 -4.154 -4.782 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.956 -2.111 -4.183 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.319 -2.283 -3.506 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.357 -4.455 0.721 1.00 1.00 H new HETATM 0 H1Y RCY A 176 78.488 -3.619 1.642 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.660 -4.631 -3.362 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.161 -6.951 -4.686 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.042 -5.255 -1.139 1.00 1.00 H new HETATM 0 H1L RCY A 176 75.541 -5.089 -6.116 1.00 1.00 H new HETATM 0 H1C RCY A 176 78.391 -0.987 -2.925 1.00 1.00 H new HETATM 1461 C1C RCY A 187 83.485 -1.344 -0.614 1.00 1.00 C HETATM 1462 O1G RCY A 187 85.508 -1.582 -2.084 1.00 1.00 O HETATM 1463 O1H RCY A 187 82.987 -5.218 -3.734 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.658 -1.790 -1.551 1.00 1.00 O HETATM 1465 C1L RCY A 187 85.175 -2.510 -4.324 1.00 1.00 C HETATM 1466 C1M RCY A 187 82.704 -4.954 -0.838 1.00 1.00 C HETATM 1467 C1P RCY A 187 85.005 -2.446 -2.801 1.00 1.00 C HETATM 1468 C1Q RCY A 187 83.887 -4.400 -3.550 1.00 1.00 C HETATM 1469 N1R RCY A 187 84.133 -3.589 -2.284 1.00 1.00 N HETATM 1470 C1S RCY A 187 84.962 -4.011 -4.548 1.00 1.00 C HETATM 1471 C1U RCY A 187 83.631 -3.859 -0.864 1.00 1.00 C HETATM 1472 C1V RCY A 187 82.599 -2.855 1.219 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.528 -2.847 -1.045 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.328 -4.357 -1.161 1.00 1.00 C HETATM 1475 C1X RCY A 187 82.837 -2.690 -0.283 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.282 -4.838 -0.152 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.897 -4.696 -2.588 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.624 -4.293 -3.293 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.841 -5.778 -2.704 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.213 -5.925 -0.190 1.00 1.00 H new HETATM 0 H1VB RCY A 187 83.551 -2.796 1.747 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.939 -2.063 1.572 1.00 1.00 H new HETATM 0 H1MA RCY A 187 82.980 -5.715 -1.568 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.441 -1.901 -4.852 1.00 1.00 H new HETATM 0 H1CB RCY A 187 84.492 -1.313 -0.199 1.00 1.00 H new HETATM 0 H1CA RCY A 187 83.534 -1.220 -1.696 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.918 -4.259 -2.786 1.00 1.00 H new HETATM 0 H1V RCY A 187 82.138 -3.824 1.410 1.00 1.00 H new HETATM 0 H1U RCY A 187 84.538 -4.052 -0.291 1.00 1.00 H new HETATM 0 H1S RCY A 187 85.881 -4.571 -4.378 1.00 1.00 H new HETATM 0 H1M RCY A 187 82.699 -5.437 0.139 1.00 1.00 H new HETATM 0 H1L RCY A 187 86.160 -2.175 -4.649 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.890 -0.538 -0.183 1.00 1.00 H new