USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=14 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 73 CYS H : A 73 CYS N : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 81 LEU CD1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 81 LEU CD1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 70 TRP O :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 81 LEU CB :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 81 LEU CD1 :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 173 RCY C1Z :(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 RCYH1MA : A 168 RCY C1M : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 187 RCY C1C :(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 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 71 GLU CG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 71 GLU C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 73 CYS CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 73 CYS CA :(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 H1Z : A 187 RCY C1Z : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 73 CYS CB :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 73 CYS O :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -14! C(o=-26!,f=-12!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -12.2! C(o=-26!,f=-16!) USER MOD Set 2.1: A 40 SER OG : rot -179:sc= 0.121 USER MOD Set 2.2: A 41 LYS NZ :NH3+ 169:sc= 0.135 (180deg=-0.514) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.298 K(o=0.3,f=-4.4!) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.00476) USER MOD Single : A 12 SER OG : rot -51:sc= 0.71 USER MOD Single : A 14 THR OG1 : rot 32:sc= 0.438 USER MOD Single : A 17 MET CE :methyl 163:sc= -0.0142 (180deg=-0.445) USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.423 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0728 (180deg=-0.589) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 34 GLN : amide:sc= -0.503 K(o=-0.5,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 37 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.953 (180deg=-2.62!) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -1.33 (180deg=-1.88) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.9!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -16:sc= 0.699 USER MOD Single : A 65 THR OG1 : rot -61:sc= 0.823 USER MOD Single : A 75 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.13) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.058 4.223 21.961 1.00 1.00 N ATOM 2 CA MET A 1 68.238 3.335 23.143 1.00 1.00 C ATOM 3 C MET A 1 67.136 2.274 23.157 1.00 1.00 C ATOM 4 O MET A 1 67.393 1.096 23.005 1.00 1.00 O ATOM 5 CB MET A 1 68.160 4.168 24.424 1.00 1.00 C ATOM 6 CG MET A 1 68.642 3.330 25.609 1.00 1.00 C ATOM 7 SD MET A 1 70.443 3.161 25.536 1.00 1.00 S ATOM 8 CE MET A 1 70.850 4.674 26.442 1.00 1.00 C ATOM 0 H1 MET A 1 68.807 4.944 21.951 1.00 1.00 H new ATOM 0 H2 MET A 1 68.111 3.657 21.090 1.00 1.00 H new ATOM 0 H3 MET A 1 67.130 4.689 22.015 1.00 1.00 H new ATOM 0 HA MET A 1 69.211 2.847 23.085 1.00 1.00 H new ATOM 0 HB2 MET A 1 68.773 5.064 24.325 1.00 1.00 H new ATOM 0 HB3 MET A 1 67.136 4.500 24.593 1.00 1.00 H new ATOM 0 HG2 MET A 1 68.348 3.803 26.546 1.00 1.00 H new ATOM 0 HG3 MET A 1 68.173 2.346 25.587 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.933 4.773 26.517 1.00 1.00 H new ATOM 0 HE2 MET A 1 70.443 5.536 25.913 1.00 1.00 H new ATOM 0 HE3 MET A 1 70.420 4.626 27.442 1.00 1.00 H new ATOM 17 N ASN A 2 65.909 2.682 23.337 1.00 1.00 N ATOM 18 CA ASN A 2 64.792 1.696 23.360 1.00 1.00 C ATOM 19 C ASN A 2 64.732 0.963 22.019 1.00 1.00 C ATOM 20 O ASN A 2 65.510 1.222 21.123 1.00 1.00 O ATOM 21 CB ASN A 2 63.471 2.430 23.600 1.00 1.00 C ATOM 22 CG ASN A 2 63.325 3.566 22.585 1.00 1.00 C ATOM 23 OD1 ASN A 2 64.106 4.497 22.581 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.351 3.528 21.718 1.00 1.00 N ATOM 0 H ASN A 2 65.632 3.655 23.469 1.00 1.00 H new ATOM 0 HA ASN A 2 64.958 0.975 24.161 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.635 1.736 23.508 1.00 1.00 H new ATOM 0 HB3 ASN A 2 63.444 2.829 24.614 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.245 4.280 21.037 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.695 2.747 21.721 1.00 1.00 H new ATOM 31 N LEU A 3 63.812 0.047 21.874 1.00 1.00 N ATOM 32 CA LEU A 3 63.703 -0.703 20.590 1.00 1.00 C ATOM 33 C LEU A 3 62.268 -1.209 20.419 1.00 1.00 C ATOM 34 O LEU A 3 61.927 -2.294 20.846 1.00 1.00 O ATOM 35 CB LEU A 3 64.675 -1.891 20.613 1.00 1.00 C ATOM 36 CG LEU A 3 65.047 -2.281 19.181 1.00 1.00 C ATOM 37 CD1 LEU A 3 63.773 -2.497 18.363 1.00 1.00 C ATOM 38 CD2 LEU A 3 65.874 -1.160 18.548 1.00 1.00 C ATOM 0 H LEU A 3 63.132 -0.214 22.588 1.00 1.00 H new ATOM 0 HA LEU A 3 63.955 -0.047 19.756 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.572 -1.628 21.173 1.00 1.00 H new ATOM 0 HB3 LEU A 3 64.217 -2.738 21.124 1.00 1.00 H new ATOM 0 HG LEU A 3 65.630 -3.202 19.195 1.00 1.00 H new ATOM 0 HD11 LEU A 3 64.038 -2.775 17.343 1.00 1.00 H new ATOM 0 HD12 LEU A 3 63.182 -3.294 18.814 1.00 1.00 H new ATOM 0 HD13 LEU A 3 63.190 -1.576 18.348 1.00 1.00 H new ATOM 0 HD21 LEU A 3 66.140 -1.436 17.528 1.00 1.00 H new ATOM 0 HD22 LEU A 3 65.290 -0.240 18.534 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.782 -1.005 19.130 1.00 1.00 H new ATOM 50 N GLU A 4 61.426 -0.431 19.794 1.00 1.00 N ATOM 51 CA GLU A 4 60.013 -0.864 19.590 1.00 1.00 C ATOM 52 C GLU A 4 59.863 -1.444 18.179 1.00 1.00 C ATOM 53 O GLU A 4 60.533 -1.020 17.259 1.00 1.00 O ATOM 54 CB GLU A 4 59.088 0.346 19.743 1.00 1.00 C ATOM 55 CG GLU A 4 59.164 0.869 21.179 1.00 1.00 C ATOM 56 CD GLU A 4 58.435 -0.098 22.114 1.00 1.00 C ATOM 57 OE1 GLU A 4 57.867 -1.056 21.617 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.458 0.137 23.311 1.00 1.00 O ATOM 0 H GLU A 4 61.656 0.488 19.415 1.00 1.00 H new ATOM 0 HA GLU A 4 59.749 -1.622 20.328 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.379 1.130 19.043 1.00 1.00 H new ATOM 0 HB3 GLU A 4 58.063 0.066 19.500 1.00 1.00 H new ATOM 0 HG2 GLU A 4 60.205 0.972 21.485 1.00 1.00 H new ATOM 0 HG3 GLU A 4 58.714 1.860 21.241 1.00 1.00 H new ATOM 65 N PRO A 5 58.991 -2.406 18.006 1.00 1.00 N ATOM 66 CA PRO A 5 58.755 -3.049 16.677 1.00 1.00 C ATOM 67 C PRO A 5 58.038 -2.104 15.697 1.00 1.00 C ATOM 68 O PRO A 5 56.892 -1.757 15.901 1.00 1.00 O ATOM 69 CB PRO A 5 57.862 -4.250 17.009 1.00 1.00 C ATOM 70 CG PRO A 5 57.168 -3.882 18.278 1.00 1.00 C ATOM 71 CD PRO A 5 58.133 -2.982 19.054 1.00 1.00 C ATOM 0 HA PRO A 5 59.689 -3.322 16.186 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.146 -4.441 16.210 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.453 -5.158 17.132 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.233 -3.362 18.072 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.917 -4.772 18.856 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.601 -2.208 19.607 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.714 -3.550 19.780 1.00 1.00 H new ATOM 79 N PRO A 6 58.700 -1.688 14.643 1.00 1.00 N ATOM 80 CA PRO A 6 58.099 -0.772 13.633 1.00 1.00 C ATOM 81 C PRO A 6 57.239 -1.524 12.610 1.00 1.00 C ATOM 82 O PRO A 6 57.330 -2.728 12.475 1.00 1.00 O ATOM 83 CB PRO A 6 59.322 -0.151 12.957 1.00 1.00 C ATOM 84 CG PRO A 6 60.378 -1.205 13.039 1.00 1.00 C ATOM 85 CD PRO A 6 60.088 -2.036 14.296 1.00 1.00 C ATOM 0 HA PRO A 6 57.428 -0.041 14.084 1.00 1.00 H new ATOM 0 HB2 PRO A 6 59.109 0.116 11.922 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.634 0.762 13.464 1.00 1.00 H new ATOM 0 HG2 PRO A 6 60.364 -1.834 12.149 1.00 1.00 H new ATOM 0 HG3 PRO A 6 61.369 -0.754 13.095 1.00 1.00 H new ATOM 0 HD2 PRO A 6 60.195 -3.103 14.102 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.775 -1.789 15.105 1.00 1.00 H new ATOM 93 N LYS A 7 56.407 -0.823 11.888 1.00 1.00 N ATOM 94 CA LYS A 7 55.547 -1.499 10.875 1.00 1.00 C ATOM 95 C LYS A 7 56.439 -2.148 9.812 1.00 1.00 C ATOM 96 O LYS A 7 57.603 -1.823 9.684 1.00 1.00 O ATOM 97 CB LYS A 7 54.619 -0.464 10.221 1.00 1.00 C ATOM 98 CG LYS A 7 55.185 0.940 10.442 1.00 1.00 C ATOM 99 CD LYS A 7 54.476 1.929 9.516 1.00 1.00 C ATOM 100 CE LYS A 7 54.728 3.357 10.004 1.00 1.00 C ATOM 101 NZ LYS A 7 53.778 3.680 11.106 1.00 1.00 N ATOM 0 H LYS A 7 56.286 0.188 11.956 1.00 1.00 H new ATOM 0 HA LYS A 7 54.941 -2.267 11.356 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.526 -0.666 9.154 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.619 -0.536 10.648 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.050 1.238 11.482 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.257 0.946 10.245 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.840 1.813 8.495 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.406 1.723 9.498 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.755 3.457 10.354 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.601 4.061 9.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 54.192 4.412 11.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.885 4.030 10.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.593 2.824 11.667 1.00 1.00 H new ATOM 115 N ALA A 8 55.906 -3.066 9.050 1.00 1.00 N ATOM 116 CA ALA A 8 56.730 -3.734 8.001 1.00 1.00 C ATOM 117 C ALA A 8 55.833 -4.167 6.839 1.00 1.00 C ATOM 118 O ALA A 8 56.106 -3.867 5.695 1.00 1.00 O ATOM 119 CB ALA A 8 57.417 -4.963 8.600 1.00 1.00 C ATOM 0 H ALA A 8 54.938 -3.382 9.108 1.00 1.00 H new ATOM 0 HA ALA A 8 57.483 -3.037 7.635 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.019 -5.452 7.835 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.059 -4.655 9.425 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.663 -5.659 8.967 1.00 1.00 H new ATOM 125 N GLU A 9 54.766 -4.870 7.131 1.00 1.00 N ATOM 126 CA GLU A 9 53.829 -5.334 6.058 1.00 1.00 C ATOM 127 C GLU A 9 54.550 -5.394 4.704 1.00 1.00 C ATOM 128 O GLU A 9 54.160 -4.752 3.749 1.00 1.00 O ATOM 129 CB GLU A 9 52.627 -4.379 5.971 1.00 1.00 C ATOM 130 CG GLU A 9 53.068 -2.962 6.344 1.00 1.00 C ATOM 131 CD GLU A 9 53.978 -2.405 5.248 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.624 -2.536 4.087 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.014 -1.858 5.587 1.00 1.00 O ATOM 0 H GLU A 9 54.501 -5.145 8.077 1.00 1.00 H new ATOM 0 HA GLU A 9 53.477 -6.335 6.308 1.00 1.00 H new ATOM 0 HB2 GLU A 9 52.215 -4.388 4.962 1.00 1.00 H new ATOM 0 HB3 GLU A 9 51.835 -4.713 6.642 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.196 -2.320 6.469 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.595 -2.973 7.298 1.00 1.00 H new ATOM 140 N CYS A 10 55.601 -6.164 4.616 1.00 1.00 N ATOM 141 CA CYS A 10 56.349 -6.270 3.331 1.00 1.00 C ATOM 142 C CYS A 10 56.918 -7.684 3.191 1.00 1.00 C ATOM 143 O CYS A 10 58.113 -7.877 3.084 1.00 1.00 O ATOM 144 CB CYS A 10 57.494 -5.254 3.323 1.00 1.00 C ATOM 145 SG CYS A 10 58.552 -5.548 1.884 1.00 1.00 S ATOM 0 H CYS A 10 55.974 -6.726 5.381 1.00 1.00 H new ATOM 0 HA CYS A 10 55.677 -6.064 2.498 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.095 -4.240 3.293 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.077 -5.340 4.240 1.00 1.00 H new ATOM 150 N ARG A 11 56.069 -8.677 3.192 1.00 1.00 N ATOM 151 CA ARG A 11 56.559 -10.078 3.059 1.00 1.00 C ATOM 152 C ARG A 11 56.673 -10.434 1.575 1.00 1.00 C ATOM 153 O ARG A 11 55.932 -9.936 0.750 1.00 1.00 O ATOM 154 CB ARG A 11 55.572 -11.031 3.748 1.00 1.00 C ATOM 155 CG ARG A 11 56.291 -12.326 4.131 1.00 1.00 C ATOM 156 CD ARG A 11 57.067 -12.115 5.432 1.00 1.00 C ATOM 157 NE ARG A 11 56.241 -12.574 6.583 1.00 1.00 N ATOM 158 CZ ARG A 11 55.553 -11.710 7.278 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.589 -10.443 6.965 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.830 -12.112 8.287 1.00 1.00 N ATOM 0 H ARG A 11 55.058 -8.578 3.279 1.00 1.00 H new ATOM 0 HA ARG A 11 57.538 -10.173 3.530 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.155 -10.558 4.637 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.737 -11.250 3.082 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.568 -13.133 4.253 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.972 -12.626 3.334 1.00 1.00 H new ATOM 0 HD2 ARG A 11 58.006 -12.667 5.401 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.321 -11.061 5.550 1.00 1.00 H new ATOM 0 HE ARG A 11 56.213 -13.564 6.828 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.155 -10.128 6.177 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.051 -9.768 7.508 1.00 1.00 H new ATOM 0 HH21 ARG A 11 54.803 -13.102 8.533 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.292 -11.437 8.830 1.00 1.00 H new ATOM 174 N SER A 12 57.597 -11.289 1.226 1.00 1.00 N ATOM 175 CA SER A 12 57.759 -11.671 -0.207 1.00 1.00 C ATOM 176 C SER A 12 58.231 -13.123 -0.298 1.00 1.00 C ATOM 177 O SER A 12 58.726 -13.562 -1.317 1.00 1.00 O ATOM 178 CB SER A 12 58.795 -10.757 -0.862 1.00 1.00 C ATOM 179 OG SER A 12 58.838 -11.022 -2.257 1.00 1.00 O ATOM 0 H SER A 12 58.246 -11.739 1.871 1.00 1.00 H new ATOM 0 HA SER A 12 56.804 -11.567 -0.721 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.538 -9.712 -0.686 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.776 -10.923 -0.418 1.00 1.00 H new ATOM 0 HG SER A 12 58.944 -11.985 -2.404 1.00 1.00 H new ATOM 185 N ALA A 13 58.083 -13.871 0.759 1.00 1.00 N ATOM 186 CA ALA A 13 58.524 -15.294 0.733 1.00 1.00 C ATOM 187 C ALA A 13 60.010 -15.361 0.377 1.00 1.00 C ATOM 188 O ALA A 13 60.401 -15.998 -0.581 1.00 1.00 O ATOM 189 CB ALA A 13 57.712 -16.060 -0.315 1.00 1.00 C ATOM 0 H ALA A 13 57.676 -13.559 1.640 1.00 1.00 H new ATOM 0 HA ALA A 13 58.366 -15.742 1.714 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.034 -17.101 -0.335 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.653 -16.012 -0.061 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.870 -15.613 -1.296 1.00 1.00 H new ATOM 195 N THR A 14 60.843 -14.708 1.145 1.00 1.00 N ATOM 196 CA THR A 14 62.308 -14.728 0.859 1.00 1.00 C ATOM 197 C THR A 14 63.070 -15.021 2.153 1.00 1.00 C ATOM 198 O THR A 14 62.921 -14.331 3.142 1.00 1.00 O ATOM 199 CB THR A 14 62.739 -13.366 0.310 1.00 1.00 C ATOM 200 OG1 THR A 14 62.361 -12.348 1.225 1.00 1.00 O ATOM 201 CG2 THR A 14 62.062 -13.120 -1.039 1.00 1.00 C ATOM 0 H THR A 14 60.570 -14.160 1.961 1.00 1.00 H new ATOM 0 HA THR A 14 62.527 -15.501 0.122 1.00 1.00 H new ATOM 0 HB THR A 14 63.821 -13.353 0.178 1.00 1.00 H new ATOM 0 HG1 THR A 14 62.397 -12.700 2.139 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.370 -12.150 -1.429 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.353 -13.902 -1.740 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.980 -13.133 -0.911 1.00 1.00 H new ATOM 209 N ARG A 15 63.884 -16.043 2.156 1.00 1.00 N ATOM 210 CA ARG A 15 64.652 -16.384 3.388 1.00 1.00 C ATOM 211 C ARG A 15 66.032 -16.920 2.999 1.00 1.00 C ATOM 212 O ARG A 15 66.760 -17.443 3.819 1.00 1.00 O ATOM 213 CB ARG A 15 63.890 -17.455 4.180 1.00 1.00 C ATOM 214 CG ARG A 15 64.328 -17.423 5.645 1.00 1.00 C ATOM 215 CD ARG A 15 63.266 -16.706 6.481 1.00 1.00 C ATOM 216 NE ARG A 15 63.098 -15.313 5.979 1.00 1.00 N ATOM 217 CZ ARG A 15 62.101 -14.583 6.402 1.00 1.00 C ATOM 218 NH1 ARG A 15 61.253 -15.074 7.263 1.00 1.00 N ATOM 219 NH2 ARG A 15 61.953 -13.363 5.963 1.00 1.00 N ATOM 0 H ARG A 15 64.050 -16.656 1.358 1.00 1.00 H new ATOM 0 HA ARG A 15 64.772 -15.492 4.002 1.00 1.00 H new ATOM 0 HB2 ARG A 15 62.817 -17.280 4.108 1.00 1.00 H new ATOM 0 HB3 ARG A 15 64.081 -18.440 3.755 1.00 1.00 H new ATOM 0 HG2 ARG A 15 64.472 -18.438 6.014 1.00 1.00 H new ATOM 0 HG3 ARG A 15 65.286 -16.911 5.738 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.319 -17.242 6.423 1.00 1.00 H new ATOM 0 HD3 ARG A 15 63.561 -16.693 7.530 1.00 1.00 H new ATOM 0 HE ARG A 15 63.761 -14.930 5.305 1.00 1.00 H new ATOM 0 HH11 ARG A 15 61.369 -16.028 7.606 1.00 1.00 H new ATOM 0 HH12 ARG A 15 60.474 -14.504 7.594 1.00 1.00 H new ATOM 0 HH21 ARG A 15 62.616 -12.979 5.289 1.00 1.00 H new ATOM 0 HH22 ARG A 15 61.174 -12.793 6.293 1.00 1.00 H new ATOM 233 N VAL A 16 66.399 -16.796 1.752 1.00 1.00 N ATOM 234 CA VAL A 16 67.731 -17.300 1.314 1.00 1.00 C ATOM 235 C VAL A 16 68.138 -16.606 0.013 1.00 1.00 C ATOM 236 O VAL A 16 69.308 -16.463 -0.284 1.00 1.00 O ATOM 237 CB VAL A 16 67.652 -18.811 1.083 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.589 -19.112 0.025 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.010 -19.323 0.599 1.00 1.00 C ATOM 0 H VAL A 16 65.834 -16.368 1.019 1.00 1.00 H new ATOM 0 HA VAL A 16 68.472 -17.087 2.085 1.00 1.00 H new ATOM 0 HB VAL A 16 67.386 -19.307 2.016 1.00 1.00 H new ATOM 0 HG11 VAL A 16 66.533 -20.188 -0.139 1.00 1.00 H new ATOM 0 HG12 VAL A 16 65.621 -18.747 0.368 1.00 1.00 H new ATOM 0 HG13 VAL A 16 66.854 -18.616 -0.909 1.00 1.00 H new ATOM 0 HG21 VAL A 16 68.955 -20.399 0.434 1.00 1.00 H new ATOM 0 HG22 VAL A 16 69.275 -18.826 -0.334 1.00 1.00 H new ATOM 0 HG23 VAL A 16 69.769 -19.109 1.352 1.00 1.00 H new ATOM 249 N MET A 17 67.182 -16.174 -0.765 1.00 1.00 N ATOM 250 CA MET A 17 67.512 -15.490 -2.048 1.00 1.00 C ATOM 251 C MET A 17 68.437 -16.380 -2.881 1.00 1.00 C ATOM 252 O MET A 17 68.953 -17.373 -2.406 1.00 1.00 O ATOM 253 CB MET A 17 68.210 -14.159 -1.755 1.00 1.00 C ATOM 254 CG MET A 17 67.277 -13.263 -0.938 1.00 1.00 C ATOM 255 SD MET A 17 68.220 -11.880 -0.249 1.00 1.00 S ATOM 256 CE MET A 17 68.497 -10.997 -1.804 1.00 1.00 C ATOM 0 H MET A 17 66.186 -16.266 -0.567 1.00 1.00 H new ATOM 0 HA MET A 17 66.593 -15.303 -2.604 1.00 1.00 H new ATOM 0 HB2 MET A 17 69.136 -14.334 -1.207 1.00 1.00 H new ATOM 0 HB3 MET A 17 68.481 -13.665 -2.688 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.470 -12.889 -1.568 1.00 1.00 H new ATOM 0 HG3 MET A 17 66.814 -13.837 -0.135 1.00 1.00 H new ATOM 0 HE1 MET A 17 68.795 -9.970 -1.591 1.00 1.00 H new ATOM 0 HE2 MET A 17 69.286 -11.494 -2.369 1.00 1.00 H new ATOM 0 HE3 MET A 17 67.578 -10.994 -2.390 1.00 1.00 H new ATOM 266 N GLY A 18 68.651 -16.035 -4.122 1.00 1.00 N ATOM 267 CA GLY A 18 69.543 -16.862 -4.985 1.00 1.00 C ATOM 268 C GLY A 18 69.081 -16.767 -6.440 1.00 1.00 C ATOM 269 O GLY A 18 68.580 -15.750 -6.877 1.00 1.00 O ATOM 0 H GLY A 18 68.247 -15.216 -4.576 1.00 1.00 H new ATOM 0 HA2 GLY A 18 70.573 -16.517 -4.897 1.00 1.00 H new ATOM 0 HA3 GLY A 18 69.525 -17.900 -4.654 1.00 1.00 H new ATOM 273 N GLY A 19 69.245 -17.820 -7.193 1.00 1.00 N ATOM 274 CA GLY A 19 68.816 -17.790 -8.620 1.00 1.00 C ATOM 275 C GLY A 19 69.803 -16.938 -9.432 1.00 1.00 C ATOM 276 O GLY A 19 70.066 -15.803 -9.089 1.00 1.00 O ATOM 0 H GLY A 19 69.657 -18.700 -6.882 1.00 1.00 H new ATOM 0 HA2 GLY A 19 68.778 -18.803 -9.021 1.00 1.00 H new ATOM 0 HA3 GLY A 19 67.810 -17.377 -8.700 1.00 1.00 H new ATOM 280 N PRO A 20 70.348 -17.471 -10.501 1.00 1.00 N ATOM 281 CA PRO A 20 71.315 -16.728 -11.357 1.00 1.00 C ATOM 282 C PRO A 20 70.888 -15.274 -11.590 1.00 1.00 C ATOM 283 O PRO A 20 69.724 -14.938 -11.500 1.00 1.00 O ATOM 284 CB PRO A 20 71.302 -17.511 -12.671 1.00 1.00 C ATOM 285 CG PRO A 20 70.967 -18.913 -12.278 1.00 1.00 C ATOM 286 CD PRO A 20 70.105 -18.830 -11.012 1.00 1.00 C ATOM 0 HA PRO A 20 72.301 -16.662 -10.897 1.00 1.00 H new ATOM 0 HB2 PRO A 20 70.564 -17.108 -13.364 1.00 1.00 H new ATOM 0 HB3 PRO A 20 72.269 -17.461 -13.171 1.00 1.00 H new ATOM 0 HG2 PRO A 20 70.428 -19.420 -13.079 1.00 1.00 H new ATOM 0 HG3 PRO A 20 71.874 -19.488 -12.090 1.00 1.00 H new ATOM 0 HD2 PRO A 20 69.050 -18.989 -11.237 1.00 1.00 H new ATOM 0 HD3 PRO A 20 70.393 -19.587 -10.283 1.00 1.00 H new ATOM 294 N CYS A 21 71.824 -14.412 -11.888 1.00 1.00 N ATOM 295 CA CYS A 21 71.480 -12.981 -12.127 1.00 1.00 C ATOM 296 C CYS A 21 72.264 -12.464 -13.337 1.00 1.00 C ATOM 297 O CYS A 21 73.471 -12.331 -13.295 1.00 1.00 O ATOM 298 CB CYS A 21 71.845 -12.156 -10.890 1.00 1.00 C ATOM 299 SG CYS A 21 70.864 -10.635 -10.868 1.00 1.00 S ATOM 0 H CYS A 21 72.815 -14.639 -11.976 1.00 1.00 H new ATOM 0 HA CYS A 21 70.411 -12.890 -12.321 1.00 1.00 H new ATOM 0 HB2 CYS A 21 71.658 -12.735 -9.986 1.00 1.00 H new ATOM 0 HB3 CYS A 21 72.908 -11.916 -10.901 1.00 1.00 H new ATOM 304 N THR A 22 71.586 -12.173 -14.415 1.00 1.00 N ATOM 305 CA THR A 22 72.288 -11.664 -15.629 1.00 1.00 C ATOM 306 C THR A 22 72.252 -10.128 -15.632 1.00 1.00 C ATOM 307 O THR A 22 71.201 -9.538 -15.772 1.00 1.00 O ATOM 308 CB THR A 22 71.573 -12.185 -16.878 1.00 1.00 C ATOM 309 OG1 THR A 22 70.174 -11.987 -16.737 1.00 1.00 O ATOM 310 CG2 THR A 22 71.864 -13.677 -17.051 1.00 1.00 C ATOM 0 H THR A 22 70.574 -12.266 -14.507 1.00 1.00 H new ATOM 0 HA THR A 22 73.323 -12.007 -15.624 1.00 1.00 H new ATOM 0 HB THR A 22 71.931 -11.644 -17.754 1.00 1.00 H new ATOM 0 HG1 THR A 22 70.007 -11.110 -16.332 1.00 1.00 H new ATOM 0 HG21 THR A 22 71.354 -14.046 -17.941 1.00 1.00 H new ATOM 0 HG22 THR A 22 72.938 -13.828 -17.159 1.00 1.00 H new ATOM 0 HG23 THR A 22 71.507 -14.221 -16.176 1.00 1.00 H new ATOM 318 N PRO A 23 73.383 -9.479 -15.477 1.00 1.00 N ATOM 319 CA PRO A 23 73.453 -7.987 -15.463 1.00 1.00 C ATOM 320 C PRO A 23 72.660 -7.349 -16.612 1.00 1.00 C ATOM 321 O PRO A 23 72.618 -7.865 -17.711 1.00 1.00 O ATOM 322 CB PRO A 23 74.947 -7.693 -15.616 1.00 1.00 C ATOM 323 CG PRO A 23 75.636 -8.892 -15.052 1.00 1.00 C ATOM 324 CD PRO A 23 74.711 -10.088 -15.297 1.00 1.00 C ATOM 0 HA PRO A 23 73.016 -7.573 -14.554 1.00 1.00 H new ATOM 0 HB2 PRO A 23 75.214 -7.540 -16.662 1.00 1.00 H new ATOM 0 HB3 PRO A 23 75.228 -6.787 -15.079 1.00 1.00 H new ATOM 0 HG2 PRO A 23 76.602 -9.045 -15.533 1.00 1.00 H new ATOM 0 HG3 PRO A 23 75.827 -8.763 -13.987 1.00 1.00 H new ATOM 0 HD2 PRO A 23 75.014 -10.653 -16.178 1.00 1.00 H new ATOM 0 HD3 PRO A 23 74.722 -10.780 -14.455 1.00 1.00 H new ATOM 332 N ARG A 24 72.038 -6.225 -16.360 1.00 1.00 N ATOM 333 CA ARG A 24 71.250 -5.538 -17.429 1.00 1.00 C ATOM 334 C ARG A 24 71.631 -4.055 -17.455 1.00 1.00 C ATOM 335 O ARG A 24 72.787 -3.704 -17.585 1.00 1.00 O ATOM 336 CB ARG A 24 69.749 -5.666 -17.134 1.00 1.00 C ATOM 337 CG ARG A 24 69.402 -7.129 -16.853 1.00 1.00 C ATOM 338 CD ARG A 24 69.379 -7.911 -18.168 1.00 1.00 C ATOM 339 NE ARG A 24 68.447 -7.249 -19.123 1.00 1.00 N ATOM 340 CZ ARG A 24 68.452 -7.591 -20.383 1.00 1.00 C ATOM 341 NH1 ARG A 24 69.274 -8.513 -20.805 1.00 1.00 N ATOM 342 NH2 ARG A 24 67.636 -7.011 -21.219 1.00 1.00 N ATOM 0 H ARG A 24 72.042 -5.752 -15.457 1.00 1.00 H new ATOM 0 HA ARG A 24 71.469 -5.999 -18.392 1.00 1.00 H new ATOM 0 HB2 ARG A 24 69.483 -5.048 -16.276 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.169 -5.301 -17.982 1.00 1.00 H new ATOM 0 HG2 ARG A 24 70.135 -7.563 -16.172 1.00 1.00 H new ATOM 0 HG3 ARG A 24 68.431 -7.195 -16.361 1.00 1.00 H new ATOM 0 HD2 ARG A 24 70.381 -7.957 -18.594 1.00 1.00 H new ATOM 0 HD3 ARG A 24 69.062 -8.938 -17.987 1.00 1.00 H new ATOM 0 HE ARG A 24 67.805 -6.529 -18.793 1.00 1.00 H new ATOM 0 HH11 ARG A 24 69.912 -8.966 -20.150 1.00 1.00 H new ATOM 0 HH12 ARG A 24 69.278 -8.781 -21.789 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.994 -6.290 -20.888 1.00 1.00 H new ATOM 0 HH22 ARG A 24 67.640 -7.278 -22.203 1.00 1.00 H new ATOM 356 N LYS A 25 70.666 -3.183 -17.328 1.00 1.00 N ATOM 357 CA LYS A 25 70.963 -1.720 -17.338 1.00 1.00 C ATOM 358 C LYS A 25 70.075 -1.022 -16.306 1.00 1.00 C ATOM 359 O LYS A 25 70.544 -0.538 -15.295 1.00 1.00 O ATOM 360 CB LYS A 25 70.678 -1.147 -18.731 1.00 1.00 C ATOM 361 CG LYS A 25 71.629 -1.776 -19.751 1.00 1.00 C ATOM 362 CD LYS A 25 70.956 -2.989 -20.397 1.00 1.00 C ATOM 363 CE LYS A 25 70.106 -2.530 -21.583 1.00 1.00 C ATOM 364 NZ LYS A 25 69.269 -3.666 -22.063 1.00 1.00 N ATOM 0 H LYS A 25 69.681 -3.422 -17.217 1.00 1.00 H new ATOM 0 HA LYS A 25 72.012 -1.557 -17.091 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.644 -1.346 -19.012 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.803 -0.064 -18.722 1.00 1.00 H new ATOM 0 HG2 LYS A 25 71.895 -1.045 -20.515 1.00 1.00 H new ATOM 0 HG3 LYS A 25 72.555 -2.078 -19.262 1.00 1.00 H new ATOM 0 HD2 LYS A 25 71.710 -3.702 -20.731 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.332 -3.504 -19.666 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.470 -1.695 -21.287 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.748 -2.172 -22.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 68.691 -3.355 -22.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.885 -4.449 -22.361 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.647 -3.988 -21.294 1.00 1.00 H new ATOM 378 N GLY A 26 68.793 -0.973 -16.549 1.00 1.00 N ATOM 379 CA GLY A 26 67.872 -0.316 -15.579 1.00 1.00 C ATOM 380 C GLY A 26 67.892 1.202 -15.786 1.00 1.00 C ATOM 381 O GLY A 26 68.762 1.734 -16.446 1.00 1.00 O ATOM 0 H GLY A 26 68.344 -1.360 -17.379 1.00 1.00 H new ATOM 0 HA2 GLY A 26 66.859 -0.696 -15.711 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.172 -0.557 -14.559 1.00 1.00 H new ATOM 385 N PRO A 27 66.934 1.891 -15.219 1.00 1.00 N ATOM 386 CA PRO A 27 66.830 3.375 -15.333 1.00 1.00 C ATOM 387 C PRO A 27 68.189 4.072 -15.150 1.00 1.00 C ATOM 388 O PRO A 27 68.877 3.838 -14.176 1.00 1.00 O ATOM 389 CB PRO A 27 65.883 3.750 -14.190 1.00 1.00 C ATOM 390 CG PRO A 27 65.017 2.550 -13.991 1.00 1.00 C ATOM 391 CD PRO A 27 65.844 1.329 -14.405 1.00 1.00 C ATOM 0 HA PRO A 27 66.480 3.685 -16.318 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.437 3.991 -13.283 1.00 1.00 H new ATOM 0 HB3 PRO A 27 65.288 4.628 -14.443 1.00 1.00 H new ATOM 0 HG2 PRO A 27 64.703 2.469 -12.950 1.00 1.00 H new ATOM 0 HG3 PRO A 27 64.111 2.624 -14.592 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.230 0.796 -13.536 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.246 0.618 -14.976 1.00 1.00 H new ATOM 399 N PRO A 28 68.577 4.925 -16.070 1.00 1.00 N ATOM 400 CA PRO A 28 69.873 5.657 -15.982 1.00 1.00 C ATOM 401 C PRO A 28 70.134 6.205 -14.574 1.00 1.00 C ATOM 402 O PRO A 28 69.239 6.290 -13.756 1.00 1.00 O ATOM 403 CB PRO A 28 69.707 6.801 -16.984 1.00 1.00 C ATOM 404 CG PRO A 28 68.742 6.287 -18.002 1.00 1.00 C ATOM 405 CD PRO A 28 67.830 5.285 -17.286 1.00 1.00 C ATOM 0 HA PRO A 28 70.723 5.010 -16.197 1.00 1.00 H new ATOM 0 HB2 PRO A 28 69.326 7.699 -16.498 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.660 7.066 -17.442 1.00 1.00 H new ATOM 0 HG2 PRO A 28 68.159 7.104 -18.428 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.270 5.808 -18.827 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.864 5.728 -17.044 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.633 4.411 -17.907 1.00 1.00 H new ATOM 413 N LYS A 29 71.351 6.579 -14.286 1.00 1.00 N ATOM 414 CA LYS A 29 71.664 7.121 -12.932 1.00 1.00 C ATOM 415 C LYS A 29 71.341 8.616 -12.891 1.00 1.00 C ATOM 416 O LYS A 29 71.858 9.394 -13.669 1.00 1.00 O ATOM 417 CB LYS A 29 73.150 6.915 -12.628 1.00 1.00 C ATOM 418 CG LYS A 29 73.496 5.430 -12.752 1.00 1.00 C ATOM 419 CD LYS A 29 74.808 5.148 -12.016 1.00 1.00 C ATOM 420 CE LYS A 29 75.887 6.115 -12.507 1.00 1.00 C ATOM 421 NZ LYS A 29 77.224 5.644 -12.047 1.00 1.00 N ATOM 0 H LYS A 29 72.142 6.533 -14.929 1.00 1.00 H new ATOM 0 HA LYS A 29 71.064 6.598 -12.187 1.00 1.00 H new ATOM 0 HB2 LYS A 29 73.758 7.500 -13.319 1.00 1.00 H new ATOM 0 HB3 LYS A 29 73.379 7.270 -11.623 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.694 4.823 -12.333 1.00 1.00 H new ATOM 0 HG3 LYS A 29 73.589 5.154 -13.802 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.666 5.261 -10.941 1.00 1.00 H new ATOM 0 HD3 LYS A 29 75.121 4.118 -12.190 1.00 1.00 H new ATOM 0 HE2 LYS A 29 75.866 6.178 -13.595 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.692 7.118 -12.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 77.957 6.301 -12.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.240 5.606 -11.008 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.409 4.695 -12.431 1.00 1.00 H new ATOM 435 N CYS A 30 70.493 9.025 -11.988 1.00 1.00 N ATOM 436 CA CYS A 30 70.140 10.469 -11.895 1.00 1.00 C ATOM 437 C CYS A 30 71.368 11.265 -11.448 1.00 1.00 C ATOM 438 O CYS A 30 72.490 10.917 -11.759 1.00 1.00 O ATOM 439 CB CYS A 30 69.013 10.652 -10.876 1.00 1.00 C ATOM 440 SG CYS A 30 67.560 9.711 -11.406 1.00 1.00 S ATOM 0 H CYS A 30 70.029 8.421 -11.310 1.00 1.00 H new ATOM 0 HA CYS A 30 69.810 10.828 -12.870 1.00 1.00 H new ATOM 0 HB2 CYS A 30 69.339 10.314 -9.892 1.00 1.00 H new ATOM 0 HB3 CYS A 30 68.761 11.708 -10.783 1.00 1.00 H new ATOM 445 N LYS A 31 71.169 12.329 -10.718 1.00 1.00 N ATOM 446 CA LYS A 31 72.330 13.140 -10.252 1.00 1.00 C ATOM 447 C LYS A 31 71.956 13.874 -8.963 1.00 1.00 C ATOM 448 O LYS A 31 72.070 15.080 -8.869 1.00 1.00 O ATOM 449 CB LYS A 31 72.712 14.161 -11.330 1.00 1.00 C ATOM 450 CG LYS A 31 71.472 14.949 -11.757 1.00 1.00 C ATOM 451 CD LYS A 31 70.871 14.316 -13.013 1.00 1.00 C ATOM 452 CE LYS A 31 69.681 15.152 -13.487 1.00 1.00 C ATOM 453 NZ LYS A 31 68.655 15.213 -12.408 1.00 1.00 N ATOM 0 H LYS A 31 70.254 12.671 -10.425 1.00 1.00 H new ATOM 0 HA LYS A 31 73.177 12.481 -10.063 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.473 14.841 -10.947 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.145 13.651 -12.191 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.737 14.954 -10.952 1.00 1.00 H new ATOM 0 HG3 LYS A 31 71.738 15.988 -11.952 1.00 1.00 H new ATOM 0 HD2 LYS A 31 71.624 14.257 -13.799 1.00 1.00 H new ATOM 0 HD3 LYS A 31 70.551 13.296 -12.801 1.00 1.00 H new ATOM 0 HE2 LYS A 31 70.010 16.158 -13.747 1.00 1.00 H new ATOM 0 HE3 LYS A 31 69.251 14.714 -14.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 67.747 15.521 -12.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 68.543 14.271 -11.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 68.958 15.890 -11.679 1.00 1.00 H new ATOM 467 N GLN A 32 71.509 13.157 -7.969 1.00 1.00 N ATOM 468 CA GLN A 32 71.128 13.817 -6.688 1.00 1.00 C ATOM 469 C GLN A 32 70.151 14.958 -6.975 1.00 1.00 C ATOM 470 O GLN A 32 70.545 16.088 -7.187 1.00 1.00 O ATOM 471 CB GLN A 32 72.381 14.376 -6.010 1.00 1.00 C ATOM 472 CG GLN A 32 73.415 13.260 -5.845 1.00 1.00 C ATOM 473 CD GLN A 32 74.679 13.826 -5.195 1.00 1.00 C ATOM 474 OE1 GLN A 32 75.706 13.938 -5.834 1.00 1.00 O ATOM 475 NE2 GLN A 32 74.646 14.191 -3.943 1.00 1.00 N ATOM 0 H GLN A 32 71.391 12.144 -7.988 1.00 1.00 H new ATOM 0 HA GLN A 32 70.654 13.089 -6.030 1.00 1.00 H new ATOM 0 HB2 GLN A 32 72.798 15.187 -6.606 1.00 1.00 H new ATOM 0 HB3 GLN A 32 72.124 14.795 -5.037 1.00 1.00 H new ATOM 0 HG2 GLN A 32 73.005 12.458 -5.231 1.00 1.00 H new ATOM 0 HG3 GLN A 32 73.656 12.826 -6.816 1.00 1.00 H new ATOM 0 HE21 GLN A 32 73.783 14.097 -3.407 1.00 1.00 H new ATOM 0 HE22 GLN A 32 75.483 14.571 -3.500 1.00 1.00 H new ATOM 484 N ARG A 33 68.877 14.674 -6.986 1.00 1.00 N ATOM 485 CA ARG A 33 67.877 15.743 -7.261 1.00 1.00 C ATOM 486 C ARG A 33 67.812 16.701 -6.070 1.00 1.00 C ATOM 487 O ARG A 33 67.425 17.844 -6.201 1.00 1.00 O ATOM 488 CB ARG A 33 66.501 15.110 -7.483 1.00 1.00 C ATOM 489 CG ARG A 33 65.571 16.127 -8.147 1.00 1.00 C ATOM 490 CD ARG A 33 64.181 15.511 -8.322 1.00 1.00 C ATOM 491 NE ARG A 33 63.359 16.384 -9.206 1.00 1.00 N ATOM 492 CZ ARG A 33 62.057 16.289 -9.189 1.00 1.00 C ATOM 493 NH1 ARG A 33 61.476 15.429 -8.397 1.00 1.00 N ATOM 494 NH2 ARG A 33 61.337 17.053 -9.963 1.00 1.00 N ATOM 0 H ARG A 33 68.486 13.747 -6.816 1.00 1.00 H new ATOM 0 HA ARG A 33 68.172 16.294 -8.154 1.00 1.00 H new ATOM 0 HB2 ARG A 33 66.594 14.223 -8.110 1.00 1.00 H new ATOM 0 HB3 ARG A 33 66.081 14.785 -6.531 1.00 1.00 H new ATOM 0 HG2 ARG A 33 65.507 17.029 -7.538 1.00 1.00 H new ATOM 0 HG3 ARG A 33 65.973 16.425 -9.115 1.00 1.00 H new ATOM 0 HD2 ARG A 33 64.265 14.514 -8.754 1.00 1.00 H new ATOM 0 HD3 ARG A 33 63.697 15.398 -7.352 1.00 1.00 H new ATOM 0 HE ARG A 33 63.813 17.056 -9.824 1.00 1.00 H new ATOM 0 HH11 ARG A 33 62.039 14.832 -7.792 1.00 1.00 H new ATOM 0 HH12 ARG A 33 60.459 15.354 -8.383 1.00 1.00 H new ATOM 0 HH21 ARG A 33 61.791 17.725 -10.582 1.00 1.00 H new ATOM 0 HH22 ARG A 33 60.320 16.979 -9.950 1.00 1.00 H new ATOM 508 N GLN A 34 68.190 16.241 -4.910 1.00 1.00 N ATOM 509 CA GLN A 34 68.152 17.123 -3.708 1.00 1.00 C ATOM 510 C GLN A 34 68.996 16.496 -2.595 1.00 1.00 C ATOM 511 O GLN A 34 68.878 15.323 -2.300 1.00 1.00 O ATOM 512 CB GLN A 34 66.697 17.279 -3.236 1.00 1.00 C ATOM 513 CG GLN A 34 66.244 18.725 -3.445 1.00 1.00 C ATOM 514 CD GLN A 34 66.928 19.628 -2.417 1.00 1.00 C ATOM 515 OE1 GLN A 34 68.117 19.868 -2.497 1.00 1.00 O ATOM 516 NE2 GLN A 34 66.223 20.143 -1.447 1.00 1.00 N ATOM 0 H GLN A 34 68.524 15.292 -4.741 1.00 1.00 H new ATOM 0 HA GLN A 34 68.555 18.105 -3.957 1.00 1.00 H new ATOM 0 HB2 GLN A 34 66.049 16.600 -3.791 1.00 1.00 H new ATOM 0 HB3 GLN A 34 66.614 17.010 -2.183 1.00 1.00 H new ATOM 0 HG2 GLN A 34 66.492 19.053 -4.455 1.00 1.00 H new ATOM 0 HG3 GLN A 34 65.161 18.796 -3.344 1.00 1.00 H new ATOM 0 HE21 GLN A 34 65.225 19.942 -1.379 1.00 1.00 H new ATOM 0 HE22 GLN A 34 66.670 20.746 -0.757 1.00 1.00 H new ATOM 525 N THR A 35 69.845 17.268 -1.974 1.00 1.00 N ATOM 526 CA THR A 35 70.694 16.718 -0.880 1.00 1.00 C ATOM 527 C THR A 35 69.895 16.697 0.424 1.00 1.00 C ATOM 528 O THR A 35 69.944 17.625 1.208 1.00 1.00 O ATOM 529 CB THR A 35 71.934 17.598 -0.705 1.00 1.00 C ATOM 530 OG1 THR A 35 71.548 18.853 -0.164 1.00 1.00 O ATOM 531 CG2 THR A 35 72.608 17.810 -2.062 1.00 1.00 C ATOM 0 H THR A 35 69.987 18.257 -2.177 1.00 1.00 H new ATOM 0 HA THR A 35 71.002 15.704 -1.134 1.00 1.00 H new ATOM 0 HB THR A 35 72.634 17.110 -0.028 1.00 1.00 H new ATOM 0 HG1 THR A 35 71.150 18.719 0.721 1.00 1.00 H new ATOM 0 HG21 THR A 35 73.491 18.437 -1.936 1.00 1.00 H new ATOM 0 HG22 THR A 35 72.904 16.846 -2.476 1.00 1.00 H new ATOM 0 HG23 THR A 35 71.910 18.298 -2.742 1.00 1.00 H new ATOM 539 N ARG A 36 69.160 15.646 0.664 1.00 1.00 N ATOM 540 CA ARG A 36 68.360 15.567 1.918 1.00 1.00 C ATOM 541 C ARG A 36 69.293 15.277 3.097 1.00 1.00 C ATOM 542 O ARG A 36 68.871 15.210 4.234 1.00 1.00 O ATOM 543 CB ARG A 36 67.323 14.442 1.788 1.00 1.00 C ATOM 544 CG ARG A 36 66.086 14.785 2.620 1.00 1.00 C ATOM 545 CD ARG A 36 65.132 15.644 1.788 1.00 1.00 C ATOM 546 NE ARG A 36 64.090 16.231 2.675 1.00 1.00 N ATOM 547 CZ ARG A 36 63.043 15.526 3.009 1.00 1.00 C ATOM 548 NH1 ARG A 36 62.910 14.306 2.565 1.00 1.00 N ATOM 549 NH2 ARG A 36 62.130 16.041 3.786 1.00 1.00 N ATOM 0 H ARG A 36 69.079 14.839 0.046 1.00 1.00 H new ATOM 0 HA ARG A 36 67.847 16.513 2.089 1.00 1.00 H new ATOM 0 HB2 ARG A 36 67.045 14.309 0.742 1.00 1.00 H new ATOM 0 HB3 ARG A 36 67.751 13.498 2.126 1.00 1.00 H new ATOM 0 HG2 ARG A 36 65.585 13.871 2.939 1.00 1.00 H new ATOM 0 HG3 ARG A 36 66.379 15.320 3.523 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.685 16.437 1.285 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.665 15.039 1.011 1.00 1.00 H new ATOM 0 HE ARG A 36 64.194 17.185 3.022 1.00 1.00 H new ATOM 0 HH11 ARG A 36 63.624 13.904 1.957 1.00 1.00 H new ATOM 0 HH12 ARG A 36 62.092 13.755 2.826 1.00 1.00 H new ATOM 0 HH21 ARG A 36 62.234 16.995 4.133 1.00 1.00 H new ATOM 0 HH22 ARG A 36 61.312 15.490 4.047 1.00 1.00 H new ATOM 563 N GLN A 37 70.560 15.102 2.830 1.00 1.00 N ATOM 564 CA GLN A 37 71.529 14.815 3.927 1.00 1.00 C ATOM 565 C GLN A 37 71.059 13.599 4.731 1.00 1.00 C ATOM 566 O GLN A 37 71.701 13.185 5.675 1.00 1.00 O ATOM 567 CB GLN A 37 71.634 16.032 4.851 1.00 1.00 C ATOM 568 CG GLN A 37 72.414 17.143 4.145 1.00 1.00 C ATOM 569 CD GLN A 37 73.902 16.790 4.126 1.00 1.00 C ATOM 570 OE1 GLN A 37 74.490 16.528 5.157 1.00 1.00 O ATOM 571 NE2 GLN A 37 74.541 16.771 2.988 1.00 1.00 N ATOM 0 H GLN A 37 70.967 15.146 1.896 1.00 1.00 H new ATOM 0 HA GLN A 37 72.507 14.602 3.495 1.00 1.00 H new ATOM 0 HB2 GLN A 37 70.638 16.386 5.119 1.00 1.00 H new ATOM 0 HB3 GLN A 37 72.134 15.755 5.779 1.00 1.00 H new ATOM 0 HG2 GLN A 37 72.046 17.269 3.127 1.00 1.00 H new ATOM 0 HG3 GLN A 37 72.261 18.092 4.659 1.00 1.00 H new ATOM 0 HE21 GLN A 37 74.048 16.991 2.123 1.00 1.00 H new ATOM 0 HE22 GLN A 37 75.533 16.536 2.964 1.00 1.00 H new ATOM 580 N CYS A 38 69.946 13.022 4.362 1.00 1.00 N ATOM 581 CA CYS A 38 69.439 11.831 5.103 1.00 1.00 C ATOM 582 C CYS A 38 69.577 12.065 6.609 1.00 1.00 C ATOM 583 O CYS A 38 70.040 11.211 7.339 1.00 1.00 O ATOM 584 CB CYS A 38 70.251 10.599 4.701 1.00 1.00 C ATOM 585 SG CYS A 38 70.493 10.595 2.907 1.00 1.00 S ATOM 0 H CYS A 38 69.366 13.324 3.579 1.00 1.00 H new ATOM 0 HA CYS A 38 68.389 11.672 4.858 1.00 1.00 H new ATOM 0 HB2 CYS A 38 71.215 10.604 5.209 1.00 1.00 H new ATOM 0 HB3 CYS A 38 69.733 9.692 5.011 1.00 1.00 H new ATOM 590 N LYS A 39 69.183 13.216 7.081 1.00 1.00 N ATOM 591 CA LYS A 39 69.295 13.498 8.540 1.00 1.00 C ATOM 592 C LYS A 39 68.219 12.715 9.294 1.00 1.00 C ATOM 593 O LYS A 39 67.038 12.887 9.067 1.00 1.00 O ATOM 594 CB LYS A 39 69.108 15.000 8.787 1.00 1.00 C ATOM 595 CG LYS A 39 70.427 15.731 8.529 1.00 1.00 C ATOM 596 CD LYS A 39 71.277 15.715 9.801 1.00 1.00 C ATOM 597 CE LYS A 39 70.643 16.629 10.851 1.00 1.00 C ATOM 598 NZ LYS A 39 69.872 15.806 11.825 1.00 1.00 N ATOM 0 H LYS A 39 68.789 13.972 6.521 1.00 1.00 H new ATOM 0 HA LYS A 39 70.280 13.194 8.895 1.00 1.00 H new ATOM 0 HB2 LYS A 39 68.329 15.392 8.133 1.00 1.00 H new ATOM 0 HB3 LYS A 39 68.780 15.172 9.812 1.00 1.00 H new ATOM 0 HG2 LYS A 39 70.967 15.252 7.712 1.00 1.00 H new ATOM 0 HG3 LYS A 39 70.232 16.759 8.222 1.00 1.00 H new ATOM 0 HD2 LYS A 39 71.353 14.699 10.187 1.00 1.00 H new ATOM 0 HD3 LYS A 39 72.291 16.048 9.578 1.00 1.00 H new ATOM 0 HE2 LYS A 39 71.416 17.196 11.369 1.00 1.00 H new ATOM 0 HE3 LYS A 39 69.986 17.353 10.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 68.884 16.130 11.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 69.902 14.807 11.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 70.291 15.905 12.772 1.00 1.00 H new ATOM 612 N SER A 40 68.620 11.856 10.192 1.00 1.00 N ATOM 613 CA SER A 40 67.624 11.060 10.963 1.00 1.00 C ATOM 614 C SER A 40 68.361 10.048 11.846 1.00 1.00 C ATOM 615 O SER A 40 67.773 9.407 12.695 1.00 1.00 O ATOM 616 CB SER A 40 66.701 10.321 9.991 1.00 1.00 C ATOM 617 OG SER A 40 67.443 9.936 8.842 1.00 1.00 O ATOM 0 H SER A 40 69.596 11.671 10.425 1.00 1.00 H new ATOM 0 HA SER A 40 67.029 11.723 11.590 1.00 1.00 H new ATOM 0 HB2 SER A 40 66.274 9.442 10.474 1.00 1.00 H new ATOM 0 HB3 SER A 40 65.868 10.963 9.703 1.00 1.00 H new ATOM 0 HG SER A 40 66.852 9.475 8.210 1.00 1.00 H new ATOM 623 N LYS A 41 69.646 9.903 11.652 1.00 1.00 N ATOM 624 CA LYS A 41 70.432 8.936 12.476 1.00 1.00 C ATOM 625 C LYS A 41 71.312 9.717 13.459 1.00 1.00 C ATOM 626 O LYS A 41 71.756 10.809 13.164 1.00 1.00 O ATOM 627 CB LYS A 41 71.324 8.092 11.558 1.00 1.00 C ATOM 628 CG LYS A 41 70.453 7.288 10.591 1.00 1.00 C ATOM 629 CD LYS A 41 70.281 8.069 9.287 1.00 1.00 C ATOM 630 CE LYS A 41 69.480 7.230 8.290 1.00 1.00 C ATOM 631 NZ LYS A 41 68.128 6.950 8.850 1.00 1.00 N ATOM 0 H LYS A 41 70.187 10.415 10.955 1.00 1.00 H new ATOM 0 HA LYS A 41 69.754 8.283 13.025 1.00 1.00 H new ATOM 0 HB2 LYS A 41 72.003 8.737 11.001 1.00 1.00 H new ATOM 0 HB3 LYS A 41 71.941 7.419 12.153 1.00 1.00 H new ATOM 0 HG2 LYS A 41 70.913 6.321 10.390 1.00 1.00 H new ATOM 0 HG3 LYS A 41 69.480 7.091 11.040 1.00 1.00 H new ATOM 0 HD2 LYS A 41 69.768 9.011 9.480 1.00 1.00 H new ATOM 0 HD3 LYS A 41 71.256 8.317 8.868 1.00 1.00 H new ATOM 0 HE2 LYS A 41 69.390 7.760 7.342 1.00 1.00 H new ATOM 0 HE3 LYS A 41 70.001 6.295 8.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 67.522 6.545 8.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 68.211 6.274 9.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 67.706 7.835 9.197 1.00 1.00 H new ATOM 645 N PRO A 42 71.568 9.164 14.618 1.00 1.00 N ATOM 646 CA PRO A 42 72.415 9.832 15.651 1.00 1.00 C ATOM 647 C PRO A 42 73.873 9.968 15.194 1.00 1.00 C ATOM 648 O PRO A 42 74.308 9.300 14.277 1.00 1.00 O ATOM 649 CB PRO A 42 72.313 8.906 16.871 1.00 1.00 C ATOM 650 CG PRO A 42 71.909 7.575 16.328 1.00 1.00 C ATOM 651 CD PRO A 42 71.086 7.849 15.068 1.00 1.00 C ATOM 0 HA PRO A 42 72.080 10.849 15.857 1.00 1.00 H new ATOM 0 HB2 PRO A 42 73.266 8.843 17.397 1.00 1.00 H new ATOM 0 HB3 PRO A 42 71.579 9.278 17.586 1.00 1.00 H new ATOM 0 HG2 PRO A 42 72.785 6.970 16.095 1.00 1.00 H new ATOM 0 HG3 PRO A 42 71.323 7.019 17.060 1.00 1.00 H new ATOM 0 HD2 PRO A 42 71.247 7.082 14.310 1.00 1.00 H new ATOM 0 HD3 PRO A 42 70.018 7.866 15.283 1.00 1.00 H new ATOM 659 N PRO A 43 74.621 10.830 15.832 1.00 1.00 N ATOM 660 CA PRO A 43 76.055 11.062 15.489 1.00 1.00 C ATOM 661 C PRO A 43 76.926 9.843 15.810 1.00 1.00 C ATOM 662 O PRO A 43 76.968 9.374 16.930 1.00 1.00 O ATOM 663 CB PRO A 43 76.456 12.260 16.359 1.00 1.00 C ATOM 664 CG PRO A 43 75.482 12.273 17.490 1.00 1.00 C ATOM 665 CD PRO A 43 74.181 11.676 16.953 1.00 1.00 C ATOM 0 HA PRO A 43 76.194 11.242 14.423 1.00 1.00 H new ATOM 0 HB2 PRO A 43 77.478 12.157 16.722 1.00 1.00 H new ATOM 0 HB3 PRO A 43 76.412 13.190 15.792 1.00 1.00 H new ATOM 0 HG2 PRO A 43 75.857 11.690 18.331 1.00 1.00 H new ATOM 0 HG3 PRO A 43 75.322 13.289 17.852 1.00 1.00 H new ATOM 0 HD2 PRO A 43 73.663 11.093 17.715 1.00 1.00 H new ATOM 0 HD3 PRO A 43 73.491 12.452 16.622 1.00 1.00 H new ATOM 673 N LYS A 44 77.621 9.326 14.833 1.00 1.00 N ATOM 674 CA LYS A 44 78.487 8.139 15.080 1.00 1.00 C ATOM 675 C LYS A 44 79.205 7.760 13.781 1.00 1.00 C ATOM 676 O LYS A 44 78.643 7.122 12.913 1.00 1.00 O ATOM 677 CB LYS A 44 77.616 6.965 15.558 1.00 1.00 C ATOM 678 CG LYS A 44 78.064 6.531 16.955 1.00 1.00 C ATOM 679 CD LYS A 44 77.375 5.216 17.326 1.00 1.00 C ATOM 680 CE LYS A 44 75.858 5.389 17.234 1.00 1.00 C ATOM 681 NZ LYS A 44 75.477 6.722 17.780 1.00 1.00 N ATOM 0 H LYS A 44 77.626 9.675 13.875 1.00 1.00 H new ATOM 0 HA LYS A 44 79.227 8.372 15.846 1.00 1.00 H new ATOM 0 HB2 LYS A 44 76.567 7.261 15.577 1.00 1.00 H new ATOM 0 HB3 LYS A 44 77.699 6.130 14.862 1.00 1.00 H new ATOM 0 HG2 LYS A 44 79.147 6.406 16.979 1.00 1.00 H new ATOM 0 HG3 LYS A 44 77.816 7.302 17.684 1.00 1.00 H new ATOM 0 HD2 LYS A 44 77.702 4.421 16.656 1.00 1.00 H new ATOM 0 HD3 LYS A 44 77.657 4.918 18.336 1.00 1.00 H new ATOM 0 HE2 LYS A 44 75.533 5.302 16.197 1.00 1.00 H new ATOM 0 HE3 LYS A 44 75.356 4.598 17.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 74.477 6.707 18.066 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 76.070 6.941 18.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 75.617 7.449 17.050 1.00 1.00 H new ATOM 695 N LYS A 45 80.443 8.148 13.640 1.00 1.00 N ATOM 696 CA LYS A 45 81.192 7.808 12.397 1.00 1.00 C ATOM 697 C LYS A 45 82.678 8.125 12.598 1.00 1.00 C ATOM 698 O LYS A 45 83.093 8.557 13.655 1.00 1.00 O ATOM 699 CB LYS A 45 80.636 8.634 11.228 1.00 1.00 C ATOM 700 CG LYS A 45 80.681 7.800 9.946 1.00 1.00 C ATOM 701 CD LYS A 45 80.530 8.720 8.733 1.00 1.00 C ATOM 702 CE LYS A 45 79.258 9.557 8.881 1.00 1.00 C ATOM 703 NZ LYS A 45 78.889 10.139 7.560 1.00 1.00 N ATOM 0 H LYS A 45 80.968 8.685 14.331 1.00 1.00 H new ATOM 0 HA LYS A 45 81.078 6.747 12.175 1.00 1.00 H new ATOM 0 HB2 LYS A 45 79.611 8.940 11.440 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.221 9.545 11.102 1.00 1.00 H new ATOM 0 HG2 LYS A 45 81.623 7.255 9.887 1.00 1.00 H new ATOM 0 HG3 LYS A 45 79.883 7.058 9.954 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.399 9.372 8.648 1.00 1.00 H new ATOM 0 HD3 LYS A 45 80.484 8.129 7.818 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.444 8.937 9.257 1.00 1.00 H new ATOM 0 HE3 LYS A 45 79.416 10.352 9.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.024 10.708 7.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.663 10.743 7.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 78.721 9.372 6.878 1.00 1.00 H new ATOM 717 N GLY A 46 83.481 7.914 11.591 1.00 1.00 N ATOM 718 CA GLY A 46 84.936 8.203 11.725 1.00 1.00 C ATOM 719 C GLY A 46 85.706 7.473 10.623 1.00 1.00 C ATOM 720 O GLY A 46 85.701 7.879 9.478 1.00 1.00 O ATOM 0 H GLY A 46 83.192 7.554 10.682 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.112 9.276 11.656 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.292 7.884 12.705 1.00 1.00 H new ATOM 724 N VAL A 47 86.367 6.398 10.961 1.00 1.00 N ATOM 725 CA VAL A 47 87.139 5.636 9.935 1.00 1.00 C ATOM 726 C VAL A 47 86.336 4.403 9.507 1.00 1.00 C ATOM 727 O VAL A 47 86.027 4.226 8.346 1.00 1.00 O ATOM 728 CB VAL A 47 88.487 5.199 10.528 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.558 6.235 10.182 1.00 1.00 C ATOM 730 CG2 VAL A 47 88.361 5.087 12.049 1.00 1.00 C ATOM 0 H VAL A 47 86.406 6.014 11.905 1.00 1.00 H new ATOM 0 HA VAL A 47 87.318 6.269 9.066 1.00 1.00 H new ATOM 0 HB VAL A 47 88.770 4.232 10.113 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.514 5.924 10.603 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.648 6.317 9.099 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.276 7.203 10.597 1.00 1.00 H new ATOM 0 HG21 VAL A 47 89.317 4.777 12.471 1.00 1.00 H new ATOM 0 HG22 VAL A 47 88.078 6.055 12.463 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.598 4.349 12.298 1.00 1.00 H new ATOM 740 N GLN A 48 85.995 3.550 10.434 1.00 1.00 N ATOM 741 CA GLN A 48 85.213 2.333 10.074 1.00 1.00 C ATOM 742 C GLN A 48 85.923 1.588 8.942 1.00 1.00 C ATOM 743 O GLN A 48 85.396 0.650 8.379 1.00 1.00 O ATOM 744 CB GLN A 48 83.814 2.743 9.611 1.00 1.00 C ATOM 745 CG GLN A 48 83.242 3.785 10.574 1.00 1.00 C ATOM 746 CD GLN A 48 81.820 4.151 10.145 1.00 1.00 C ATOM 747 OE1 GLN A 48 81.097 4.792 10.882 1.00 1.00 O ATOM 748 NE2 GLN A 48 81.385 3.769 8.976 1.00 1.00 N ATOM 0 H GLN A 48 86.224 3.643 11.424 1.00 1.00 H new ATOM 0 HA GLN A 48 85.132 1.683 10.945 1.00 1.00 H new ATOM 0 HB2 GLN A 48 83.859 3.151 8.601 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.162 1.871 9.573 1.00 1.00 H new ATOM 0 HG2 GLN A 48 83.237 3.392 11.591 1.00 1.00 H new ATOM 0 HG3 GLN A 48 83.872 4.675 10.580 1.00 1.00 H new ATOM 0 HE21 GLN A 48 81.991 3.231 8.357 1.00 1.00 H new ATOM 0 HE22 GLN A 48 80.438 4.008 8.681 1.00 1.00 H new ATOM 757 N GLY A 49 87.112 2.001 8.601 1.00 1.00 N ATOM 758 CA GLY A 49 87.850 1.317 7.502 1.00 1.00 C ATOM 759 C GLY A 49 87.280 1.763 6.155 1.00 1.00 C ATOM 760 O GLY A 49 87.037 0.961 5.276 1.00 1.00 O ATOM 0 H GLY A 49 87.604 2.782 9.035 1.00 1.00 H new ATOM 0 HA2 GLY A 49 88.912 1.557 7.558 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.761 0.236 7.607 1.00 1.00 H new ATOM 764 N CYS A 50 87.062 3.039 5.988 1.00 1.00 N ATOM 765 CA CYS A 50 86.506 3.540 4.701 1.00 1.00 C ATOM 766 C CYS A 50 86.446 5.069 4.735 1.00 1.00 C ATOM 767 O CYS A 50 86.409 5.675 5.787 1.00 1.00 O ATOM 768 CB CYS A 50 85.096 2.979 4.500 1.00 1.00 C ATOM 769 SG CYS A 50 84.284 3.857 3.141 1.00 1.00 S ATOM 0 H CYS A 50 87.246 3.757 6.689 1.00 1.00 H new ATOM 0 HA CYS A 50 87.145 3.218 3.879 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.146 1.913 4.280 1.00 1.00 H new ATOM 0 HB3 CYS A 50 84.516 3.089 5.416 1.00 1.00 H new ATOM 774 N GLY A 51 86.436 5.694 3.591 1.00 1.00 N ATOM 775 CA GLY A 51 86.378 7.185 3.550 1.00 1.00 C ATOM 776 C GLY A 51 87.788 7.751 3.375 1.00 1.00 C ATOM 777 O GLY A 51 88.312 7.809 2.281 1.00 1.00 O ATOM 0 H GLY A 51 86.466 5.237 2.680 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.740 7.511 2.729 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.934 7.567 4.469 1.00 1.00 H new ATOM 781 N ASP A 52 88.406 8.173 4.444 1.00 1.00 N ATOM 782 CA ASP A 52 89.780 8.737 4.333 1.00 1.00 C ATOM 783 C ASP A 52 89.789 9.837 3.268 1.00 1.00 C ATOM 784 O ASP A 52 90.830 10.310 2.857 1.00 1.00 O ATOM 785 CB ASP A 52 90.757 7.629 3.934 1.00 1.00 C ATOM 786 CG ASP A 52 92.191 8.095 4.192 1.00 1.00 C ATOM 787 OD1 ASP A 52 92.447 8.587 5.279 1.00 1.00 O ATOM 788 OD2 ASP A 52 93.009 7.952 3.298 1.00 1.00 O ATOM 0 H ASP A 52 88.019 8.152 5.388 1.00 1.00 H new ATOM 0 HA ASP A 52 90.083 9.155 5.293 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.549 6.724 4.505 1.00 1.00 H new ATOM 0 HB3 ASP A 52 90.629 7.378 2.881 1.00 1.00 H new ATOM 793 N ASP A 53 88.633 10.247 2.820 1.00 1.00 N ATOM 794 CA ASP A 53 88.567 11.317 1.783 1.00 1.00 C ATOM 795 C ASP A 53 87.200 12.003 1.852 1.00 1.00 C ATOM 796 O ASP A 53 86.550 12.002 2.879 1.00 1.00 O ATOM 797 CB ASP A 53 88.760 10.698 0.396 1.00 1.00 C ATOM 798 CG ASP A 53 87.578 9.781 0.076 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.974 9.278 1.009 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.297 9.596 -1.097 1.00 1.00 O ATOM 0 H ASP A 53 87.730 9.887 3.128 1.00 1.00 H new ATOM 0 HA ASP A 53 89.353 12.050 1.963 1.00 1.00 H new ATOM 0 HB2 ASP A 53 88.839 11.483 -0.356 1.00 1.00 H new ATOM 0 HB3 ASP A 53 89.691 10.132 0.365 1.00 1.00 H new ATOM 805 N ILE A 54 86.759 12.588 0.768 1.00 1.00 N ATOM 806 CA ILE A 54 85.431 13.276 0.766 1.00 1.00 C ATOM 807 C ILE A 54 84.527 12.642 -0.298 1.00 1.00 C ATOM 808 O ILE A 54 84.368 13.172 -1.379 1.00 1.00 O ATOM 809 CB ILE A 54 85.629 14.759 0.435 1.00 1.00 C ATOM 810 CG1 ILE A 54 86.783 15.317 1.271 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.348 15.530 0.757 1.00 1.00 C ATOM 812 CD1 ILE A 54 86.467 15.142 2.758 1.00 1.00 C ATOM 0 H ILE A 54 87.262 12.619 -0.119 1.00 1.00 H new ATOM 0 HA ILE A 54 84.969 13.174 1.748 1.00 1.00 H new ATOM 0 HB ILE A 54 85.861 14.867 -0.625 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.710 14.800 1.022 1.00 1.00 H new ATOM 0 HG13 ILE A 54 86.935 16.372 1.042 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.489 16.585 0.521 1.00 1.00 H new ATOM 0 HG22 ILE A 54 83.525 15.133 0.163 1.00 1.00 H new ATOM 0 HG23 ILE A 54 84.115 15.423 1.816 1.00 1.00 H new ATOM 0 HD11 ILE A 54 87.289 15.539 3.354 1.00 1.00 H new ATOM 0 HD12 ILE A 54 85.550 15.679 3.001 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.337 14.083 2.980 1.00 1.00 H new ATOM 824 N PRO A 55 83.940 11.514 0.008 1.00 1.00 N ATOM 825 CA PRO A 55 83.038 10.792 -0.929 1.00 1.00 C ATOM 826 C PRO A 55 81.592 11.294 -0.852 1.00 1.00 C ATOM 827 O PRO A 55 81.181 11.885 0.127 1.00 1.00 O ATOM 828 CB PRO A 55 83.128 9.350 -0.437 1.00 1.00 C ATOM 829 CG PRO A 55 83.344 9.464 1.038 1.00 1.00 C ATOM 830 CD PRO A 55 84.072 10.791 1.284 1.00 1.00 C ATOM 0 HA PRO A 55 83.327 10.929 -1.971 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.216 8.797 -0.662 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.949 8.818 -0.917 1.00 1.00 H new ATOM 0 HG2 PRO A 55 82.393 9.442 1.570 1.00 1.00 H new ATOM 0 HG3 PRO A 55 83.935 8.626 1.407 1.00 1.00 H new ATOM 0 HD2 PRO A 55 83.621 11.347 2.106 1.00 1.00 H new ATOM 0 HD3 PRO A 55 85.118 10.630 1.545 1.00 1.00 H new ATOM 838 N GLY A 56 80.815 11.053 -1.874 1.00 1.00 N ATOM 839 CA GLY A 56 79.392 11.505 -1.858 1.00 1.00 C ATOM 840 C GLY A 56 79.263 12.848 -2.577 1.00 1.00 C ATOM 841 O GLY A 56 78.190 13.410 -2.670 1.00 1.00 O ATOM 0 H GLY A 56 81.104 10.562 -2.720 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.760 10.761 -2.343 1.00 1.00 H new ATOM 0 HA3 GLY A 56 79.043 11.598 -0.830 1.00 1.00 H new ATOM 845 N MET A 57 80.344 13.372 -3.087 1.00 1.00 N ATOM 846 CA MET A 57 80.268 14.680 -3.797 1.00 1.00 C ATOM 847 C MET A 57 79.464 14.513 -5.090 1.00 1.00 C ATOM 848 O MET A 57 78.385 15.053 -5.230 1.00 1.00 O ATOM 849 CB MET A 57 81.682 15.180 -4.120 1.00 1.00 C ATOM 850 CG MET A 57 82.441 14.109 -4.905 1.00 1.00 C ATOM 851 SD MET A 57 84.211 14.237 -4.545 1.00 1.00 S ATOM 852 CE MET A 57 84.697 12.630 -5.220 1.00 1.00 C ATOM 0 H MET A 57 81.273 12.953 -3.043 1.00 1.00 H new ATOM 0 HA MET A 57 79.773 15.411 -3.158 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.629 16.101 -4.701 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.214 15.415 -3.198 1.00 1.00 H new ATOM 0 HG2 MET A 57 82.075 13.118 -4.636 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.266 14.234 -5.974 1.00 1.00 H new ATOM 0 HE1 MET A 57 85.772 12.496 -5.101 1.00 1.00 H new ATOM 0 HE2 MET A 57 84.171 11.838 -4.687 1.00 1.00 H new ATOM 0 HE3 MET A 57 84.441 12.587 -6.279 1.00 1.00 H new ATOM 862 N GLU A 58 79.975 13.764 -6.031 1.00 1.00 N ATOM 863 CA GLU A 58 79.237 13.558 -7.312 1.00 1.00 C ATOM 864 C GLU A 58 80.099 12.728 -8.266 1.00 1.00 C ATOM 865 O GLU A 58 80.457 13.173 -9.338 1.00 1.00 O ATOM 866 CB GLU A 58 78.926 14.911 -7.961 1.00 1.00 C ATOM 867 CG GLU A 58 80.156 15.817 -7.872 1.00 1.00 C ATOM 868 CD GLU A 58 80.036 16.944 -8.900 1.00 1.00 C ATOM 869 OE1 GLU A 58 78.920 17.252 -9.284 1.00 1.00 O ATOM 870 OE2 GLU A 58 81.062 17.480 -9.284 1.00 1.00 O ATOM 0 H GLU A 58 80.873 13.285 -5.968 1.00 1.00 H new ATOM 0 HA GLU A 58 78.303 13.035 -7.106 1.00 1.00 H new ATOM 0 HB2 GLU A 58 78.641 14.769 -9.003 1.00 1.00 H new ATOM 0 HB3 GLU A 58 78.079 15.380 -7.460 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.242 16.234 -6.868 1.00 1.00 H new ATOM 0 HG3 GLU A 58 81.061 15.238 -8.055 1.00 1.00 H new ATOM 877 N GLY A 59 80.435 11.524 -7.888 1.00 1.00 N ATOM 878 CA GLY A 59 81.273 10.672 -8.781 1.00 1.00 C ATOM 879 C GLY A 59 82.035 9.641 -7.945 1.00 1.00 C ATOM 880 O GLY A 59 82.218 9.803 -6.755 1.00 1.00 O ATOM 0 H GLY A 59 80.167 11.094 -7.003 1.00 1.00 H new ATOM 0 HA2 GLY A 59 80.643 10.167 -9.513 1.00 1.00 H new ATOM 0 HA3 GLY A 59 81.975 11.293 -9.338 1.00 1.00 H new ATOM 884 N CYS A 60 82.484 8.581 -8.562 1.00 1.00 N ATOM 885 CA CYS A 60 83.237 7.538 -7.810 1.00 1.00 C ATOM 886 C CYS A 60 84.258 6.879 -8.740 1.00 1.00 C ATOM 887 O CYS A 60 85.447 7.109 -8.636 1.00 1.00 O ATOM 888 CB CYS A 60 82.261 6.480 -7.281 1.00 1.00 C ATOM 889 SG CYS A 60 80.721 6.552 -8.230 1.00 1.00 S ATOM 0 H CYS A 60 82.361 8.393 -9.557 1.00 1.00 H new ATOM 0 HA CYS A 60 83.757 7.999 -6.970 1.00 1.00 H new ATOM 0 HB2 CYS A 60 82.705 5.488 -7.362 1.00 1.00 H new ATOM 0 HB3 CYS A 60 82.058 6.653 -6.224 1.00 1.00 H new ATOM 894 N GLY A 61 83.804 6.063 -9.649 1.00 1.00 N ATOM 895 CA GLY A 61 84.747 5.390 -10.589 1.00 1.00 C ATOM 896 C GLY A 61 84.144 4.063 -11.053 1.00 1.00 C ATOM 897 O GLY A 61 83.405 4.010 -12.016 1.00 1.00 O ATOM 0 H GLY A 61 82.820 5.832 -9.783 1.00 1.00 H new ATOM 0 HA2 GLY A 61 84.942 6.033 -11.447 1.00 1.00 H new ATOM 0 HA3 GLY A 61 85.704 5.215 -10.098 1.00 1.00 H new ATOM 901 N THR A 62 84.455 2.991 -10.374 1.00 1.00 N ATOM 902 CA THR A 62 83.901 1.663 -10.769 1.00 1.00 C ATOM 903 C THR A 62 82.422 1.805 -11.124 1.00 1.00 C ATOM 904 O THR A 62 81.575 1.900 -10.260 1.00 1.00 O ATOM 905 CB THR A 62 84.052 0.681 -9.602 1.00 1.00 C ATOM 906 OG1 THR A 62 82.925 0.791 -8.745 1.00 1.00 O ATOM 907 CG2 THR A 62 85.325 1.007 -8.819 1.00 1.00 C ATOM 0 H THR A 62 85.070 2.978 -9.561 1.00 1.00 H new ATOM 0 HA THR A 62 84.445 1.289 -11.636 1.00 1.00 H new ATOM 0 HB THR A 62 84.117 -0.336 -9.989 1.00 1.00 H new ATOM 0 HG1 THR A 62 82.448 1.626 -8.937 1.00 1.00 H new ATOM 0 HG21 THR A 62 85.431 0.308 -7.989 1.00 1.00 H new ATOM 0 HG22 THR A 62 86.189 0.922 -9.478 1.00 1.00 H new ATOM 0 HG23 THR A 62 85.263 2.024 -8.431 1.00 1.00 H new ATOM 915 N ASP A 63 82.104 1.809 -12.391 1.00 1.00 N ATOM 916 CA ASP A 63 80.677 1.925 -12.794 1.00 1.00 C ATOM 917 C ASP A 63 79.959 0.654 -12.352 1.00 1.00 C ATOM 918 O ASP A 63 79.468 -0.108 -13.160 1.00 1.00 O ATOM 919 CB ASP A 63 80.578 2.070 -14.315 1.00 1.00 C ATOM 920 CG ASP A 63 81.305 3.342 -14.755 1.00 1.00 C ATOM 921 OD1 ASP A 63 81.771 4.064 -13.889 1.00 1.00 O ATOM 922 OD2 ASP A 63 81.384 3.573 -15.950 1.00 1.00 O ATOM 0 H ASP A 63 82.770 1.737 -13.160 1.00 1.00 H new ATOM 0 HA ASP A 63 80.222 2.800 -12.330 1.00 1.00 H new ATOM 0 HB2 ASP A 63 81.017 1.200 -14.803 1.00 1.00 H new ATOM 0 HB3 ASP A 63 79.532 2.112 -14.620 1.00 1.00 H new ATOM 927 N ILE A 64 79.923 0.416 -11.066 1.00 1.00 N ATOM 928 CA ILE A 64 79.271 -0.811 -10.527 1.00 1.00 C ATOM 929 C ILE A 64 79.450 -1.968 -11.501 1.00 1.00 C ATOM 930 O ILE A 64 78.550 -2.327 -12.231 1.00 1.00 O ATOM 931 CB ILE A 64 77.779 -0.559 -10.272 1.00 1.00 C ATOM 932 CG1 ILE A 64 77.058 -1.899 -10.104 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.178 0.197 -11.459 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.741 -1.680 -9.357 1.00 1.00 C ATOM 0 H ILE A 64 80.324 1.030 -10.358 1.00 1.00 H new ATOM 0 HA ILE A 64 79.744 -1.069 -9.580 1.00 1.00 H new ATOM 0 HB ILE A 64 77.661 0.035 -9.366 1.00 1.00 H new ATOM 0 HG12 ILE A 64 76.865 -2.345 -11.080 1.00 1.00 H new ATOM 0 HG13 ILE A 64 77.689 -2.597 -9.554 1.00 1.00 H new ATOM 0 HG21 ILE A 64 76.118 0.376 -11.278 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.691 1.151 -11.580 1.00 1.00 H new ATOM 0 HG23 ILE A 64 77.296 -0.396 -12.366 1.00 1.00 H new ATOM 0 HD11 ILE A 64 75.228 -2.634 -9.237 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.946 -1.253 -8.375 1.00 1.00 H new ATOM 0 HD13 ILE A 64 75.110 -0.997 -9.925 1.00 1.00 H new ATOM 946 N THR A 65 80.601 -2.572 -11.507 1.00 1.00 N ATOM 947 CA THR A 65 80.804 -3.725 -12.411 1.00 1.00 C ATOM 948 C THR A 65 79.979 -4.875 -11.843 1.00 1.00 C ATOM 949 O THR A 65 80.462 -5.973 -11.652 1.00 1.00 O ATOM 950 CB THR A 65 82.287 -4.110 -12.457 1.00 1.00 C ATOM 951 OG1 THR A 65 82.443 -5.293 -13.227 1.00 1.00 O ATOM 952 CG2 THR A 65 82.798 -4.353 -11.036 1.00 1.00 C ATOM 0 H THR A 65 81.402 -2.318 -10.929 1.00 1.00 H new ATOM 0 HA THR A 65 80.495 -3.484 -13.428 1.00 1.00 H new ATOM 0 HB THR A 65 82.859 -3.301 -12.912 1.00 1.00 H new ATOM 0 HG1 THR A 65 81.942 -6.024 -12.809 1.00 1.00 H new ATOM 0 HG21 THR A 65 83.853 -4.627 -11.070 1.00 1.00 H new ATOM 0 HG22 THR A 65 82.678 -3.444 -10.446 1.00 1.00 H new ATOM 0 HG23 THR A 65 82.228 -5.161 -10.578 1.00 1.00 H new ATOM 960 N VAL A 66 78.733 -4.603 -11.542 1.00 1.00 N ATOM 961 CA VAL A 66 77.844 -5.639 -10.952 1.00 1.00 C ATOM 962 C VAL A 66 78.209 -5.803 -9.475 1.00 1.00 C ATOM 963 O VAL A 66 77.368 -6.056 -8.636 1.00 1.00 O ATOM 964 CB VAL A 66 78.023 -6.970 -11.696 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.764 -7.822 -11.529 1.00 1.00 C ATOM 966 CG2 VAL A 66 78.257 -6.694 -13.183 1.00 1.00 C ATOM 0 H VAL A 66 78.293 -3.694 -11.684 1.00 1.00 H new ATOM 0 HA VAL A 66 76.801 -5.335 -11.044 1.00 1.00 H new ATOM 0 HB VAL A 66 78.880 -7.504 -11.285 1.00 1.00 H new ATOM 0 HG11 VAL A 66 76.891 -8.767 -12.057 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.595 -8.018 -10.470 1.00 1.00 H new ATOM 0 HG13 VAL A 66 75.907 -7.289 -11.940 1.00 1.00 H new ATOM 0 HG21 VAL A 66 78.384 -7.638 -13.713 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.400 -6.160 -13.593 1.00 1.00 H new ATOM 0 HG23 VAL A 66 79.154 -6.087 -13.304 1.00 1.00 H new ATOM 976 N ILE A 67 79.466 -5.644 -9.159 1.00 1.00 N ATOM 977 CA ILE A 67 79.920 -5.767 -7.743 1.00 1.00 C ATOM 978 C ILE A 67 80.945 -4.667 -7.447 1.00 1.00 C ATOM 979 O ILE A 67 82.068 -4.723 -7.907 1.00 1.00 O ATOM 980 CB ILE A 67 80.559 -7.141 -7.526 1.00 1.00 C ATOM 981 CG1 ILE A 67 79.493 -8.228 -7.680 1.00 1.00 C ATOM 982 CG2 ILE A 67 81.156 -7.211 -6.119 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.155 -9.606 -7.621 1.00 1.00 C ATOM 0 H ILE A 67 80.206 -5.432 -9.829 1.00 1.00 H new ATOM 0 HA ILE A 67 79.067 -5.661 -7.073 1.00 1.00 H new ATOM 0 HB ILE A 67 81.347 -7.295 -8.263 1.00 1.00 H new ATOM 0 HG12 ILE A 67 78.749 -8.137 -6.889 1.00 1.00 H new ATOM 0 HG13 ILE A 67 78.968 -8.106 -8.627 1.00 1.00 H new ATOM 0 HG21 ILE A 67 81.611 -8.190 -5.965 1.00 1.00 H new ATOM 0 HG22 ILE A 67 81.915 -6.436 -6.007 1.00 1.00 H new ATOM 0 HG23 ILE A 67 80.368 -7.057 -5.381 1.00 1.00 H new ATOM 0 HD11 ILE A 67 79.395 -10.380 -7.731 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.883 -9.695 -8.428 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.660 -9.726 -6.662 1.00 1.00 H new ATOM 995 N CYS A 68 80.582 -3.672 -6.687 1.00 1.00 N ATOM 996 CA CYS A 68 81.559 -2.588 -6.379 1.00 1.00 C ATOM 997 C CYS A 68 82.604 -3.114 -5.386 1.00 1.00 C ATOM 998 O CYS A 68 82.268 -3.588 -4.319 1.00 1.00 O ATOM 999 CB CYS A 68 80.820 -1.394 -5.769 1.00 1.00 C ATOM 1000 SG CYS A 68 80.345 -0.244 -7.083 1.00 1.00 S ATOM 0 H CYS A 68 79.659 -3.561 -6.268 1.00 1.00 H new ATOM 0 HA CYS A 68 82.058 -2.272 -7.295 1.00 1.00 H new ATOM 0 HB2 CYS A 68 79.935 -1.736 -5.233 1.00 1.00 H new ATOM 0 HB3 CYS A 68 81.458 -0.890 -5.043 1.00 1.00 H new ATOM 1005 N PRO A 69 83.871 -3.045 -5.731 1.00 1.00 N ATOM 1006 CA PRO A 69 84.972 -3.535 -4.849 1.00 1.00 C ATOM 1007 C PRO A 69 84.793 -3.132 -3.378 1.00 1.00 C ATOM 1008 O PRO A 69 84.478 -3.950 -2.538 1.00 1.00 O ATOM 1009 CB PRO A 69 86.221 -2.877 -5.438 1.00 1.00 C ATOM 1010 CG PRO A 69 85.909 -2.689 -6.886 1.00 1.00 C ATOM 1011 CD PRO A 69 84.392 -2.495 -6.993 1.00 1.00 C ATOM 0 HA PRO A 69 85.012 -4.624 -4.830 1.00 1.00 H new ATOM 0 HB2 PRO A 69 86.432 -1.924 -4.952 1.00 1.00 H new ATOM 0 HB3 PRO A 69 87.101 -3.506 -5.302 1.00 1.00 H new ATOM 0 HG2 PRO A 69 86.438 -1.824 -7.286 1.00 1.00 H new ATOM 0 HG3 PRO A 69 86.229 -3.555 -7.466 1.00 1.00 H new ATOM 0 HD2 PRO A 69 84.132 -1.443 -7.107 1.00 1.00 H new ATOM 0 HD3 PRO A 69 83.983 -3.020 -7.856 1.00 1.00 H new ATOM 1019 N TRP A 70 85.013 -1.885 -3.059 1.00 1.00 N ATOM 1020 CA TRP A 70 84.877 -1.441 -1.643 1.00 1.00 C ATOM 1021 C TRP A 70 83.403 -1.469 -1.218 1.00 1.00 C ATOM 1022 O TRP A 70 82.910 -0.559 -0.582 1.00 1.00 O ATOM 1023 CB TRP A 70 85.459 -0.025 -1.494 1.00 1.00 C ATOM 1024 CG TRP A 70 84.414 0.989 -1.831 1.00 1.00 C ATOM 1025 CD1 TRP A 70 83.805 1.803 -0.938 1.00 1.00 C ATOM 1026 CD2 TRP A 70 83.845 1.313 -3.133 1.00 1.00 C ATOM 1027 NE1 TRP A 70 82.899 2.605 -1.607 1.00 1.00 N ATOM 1028 CE2 TRP A 70 82.886 2.341 -2.962 1.00 1.00 C ATOM 1029 CE3 TRP A 70 84.064 0.820 -4.431 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 82.171 2.861 -4.044 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 83.348 1.340 -5.520 1.00 1.00 C ATOM 1032 CH2 TRP A 70 82.404 2.358 -5.328 1.00 1.00 C ATOM 0 H TRP A 70 85.281 -1.155 -3.719 1.00 1.00 H new ATOM 0 HA TRP A 70 85.429 -2.121 -0.995 1.00 1.00 H new ATOM 0 HB2 TRP A 70 85.812 0.128 -0.474 1.00 1.00 H new ATOM 0 HB3 TRP A 70 86.321 0.095 -2.151 1.00 1.00 H new ATOM 0 HD1 TRP A 70 83.996 1.823 0.125 1.00 1.00 H new ATOM 0 HE1 TRP A 70 82.312 3.306 -1.155 1.00 1.00 H new ATOM 0 HE3 TRP A 70 84.789 0.035 -4.591 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 81.444 3.645 -3.890 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 83.526 0.953 -6.513 1.00 1.00 H new ATOM 0 HH2 TRP A 70 81.857 2.754 -6.171 1.00 1.00 H new ATOM 1043 N GLU A 71 82.698 -2.517 -1.552 1.00 1.00 N ATOM 1044 CA GLU A 71 81.262 -2.610 -1.156 1.00 1.00 C ATOM 1045 C GLU A 71 80.931 -4.058 -0.787 1.00 1.00 C ATOM 1046 O GLU A 71 79.846 -4.360 -0.333 1.00 1.00 O ATOM 1047 CB GLU A 71 80.377 -2.161 -2.324 1.00 1.00 C ATOM 1048 CG GLU A 71 78.934 -1.996 -1.843 1.00 1.00 C ATOM 1049 CD GLU A 71 78.190 -3.324 -1.991 1.00 1.00 C ATOM 1050 OE1 GLU A 71 78.360 -3.964 -3.016 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.464 -3.679 -1.078 1.00 1.00 O ATOM 0 H GLU A 71 83.054 -3.313 -2.082 1.00 1.00 H new ATOM 0 HA GLU A 71 81.078 -1.965 -0.297 1.00 1.00 H new ATOM 0 HB2 GLU A 71 80.745 -1.219 -2.731 1.00 1.00 H new ATOM 0 HB3 GLU A 71 80.421 -2.895 -3.129 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.921 -1.674 -0.802 1.00 1.00 H new ATOM 0 HG3 GLU A 71 78.433 -1.220 -2.422 1.00 1.00 H new ATOM 1058 N ALA A 72 81.860 -4.956 -0.971 1.00 1.00 N ATOM 1059 CA ALA A 72 81.595 -6.382 -0.625 1.00 1.00 C ATOM 1060 C ALA A 72 81.488 -6.528 0.893 1.00 1.00 C ATOM 1061 O ALA A 72 81.813 -7.558 1.449 1.00 1.00 O ATOM 1062 CB ALA A 72 82.742 -7.255 -1.134 1.00 1.00 C ATOM 0 H ALA A 72 82.789 -4.765 -1.345 1.00 1.00 H new ATOM 0 HA ALA A 72 80.661 -6.697 -1.091 1.00 1.00 H new ATOM 0 HB1 ALA A 72 82.547 -8.297 -0.880 1.00 1.00 H new ATOM 0 HB2 ALA A 72 82.823 -7.154 -2.216 1.00 1.00 H new ATOM 0 HB3 ALA A 72 83.675 -6.937 -0.669 1.00 1.00 H new ATOM 1068 N CYS A 73 81.038 -5.510 1.571 1.00 1.00 N ATOM 1069 CA CYS A 73 80.918 -5.604 3.052 1.00 1.00 C ATOM 1070 C CYS A 73 80.179 -6.892 3.421 1.00 1.00 C ATOM 1071 O CYS A 73 79.055 -7.109 3.016 1.00 1.00 O ATOM 1072 CB CYS A 73 80.141 -4.395 3.577 1.00 1.00 C ATOM 1073 SG CYS A 73 81.090 -2.886 3.263 1.00 1.00 S ATOM 0 HA CYS A 73 81.912 -5.617 3.500 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.168 -4.334 3.089 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.955 -4.505 4.645 1.00 1.00 H new ATOM 1078 N ASN A 74 80.816 -7.752 4.177 1.00 1.00 N ATOM 1079 CA ASN A 74 80.175 -9.043 4.583 1.00 1.00 C ATOM 1080 C ASN A 74 78.669 -8.844 4.785 1.00 1.00 C ATOM 1081 O ASN A 74 78.203 -7.743 4.994 1.00 1.00 O ATOM 1082 CB ASN A 74 80.805 -9.534 5.895 1.00 1.00 C ATOM 1083 CG ASN A 74 81.872 -10.586 5.588 1.00 1.00 C ATOM 1084 OD1 ASN A 74 81.556 -11.701 5.223 1.00 1.00 O ATOM 1085 ND2 ASN A 74 83.133 -10.277 5.722 1.00 1.00 N ATOM 0 H ASN A 74 81.762 -7.614 4.534 1.00 1.00 H new ATOM 0 HA ASN A 74 80.334 -9.782 3.797 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.249 -8.697 6.433 1.00 1.00 H new ATOM 0 HB3 ASN A 74 80.038 -9.958 6.543 1.00 1.00 H new ATOM 0 HD21 ASN A 74 83.852 -10.971 5.520 1.00 1.00 H new ATOM 0 HD22 ASN A 74 83.399 -9.341 6.028 1.00 1.00 H new ATOM 1092 N HIS A 75 77.911 -9.907 4.718 1.00 1.00 N ATOM 1093 CA HIS A 75 76.432 -9.798 4.895 1.00 1.00 C ATOM 1094 C HIS A 75 75.814 -9.262 3.603 1.00 1.00 C ATOM 1095 O HIS A 75 74.825 -8.556 3.622 1.00 1.00 O ATOM 1096 CB HIS A 75 76.109 -8.848 6.057 1.00 1.00 C ATOM 1097 CG HIS A 75 74.733 -9.152 6.583 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.835 -9.948 5.888 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.087 -8.774 7.735 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.709 -10.025 6.619 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.810 -9.327 7.752 1.00 1.00 N ATOM 0 H HIS A 75 78.255 -10.852 4.547 1.00 1.00 H new ATOM 0 HA HIS A 75 76.020 -10.781 5.122 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.847 -8.962 6.851 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.161 -7.813 5.720 1.00 1.00 H new ATOM 0 HD2 HIS A 75 74.505 -8.145 8.507 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.832 -10.583 6.326 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.101 -9.221 8.477 1.00 1.00 H new ATOM 1110 N CYS A 76 76.393 -9.590 2.478 1.00 1.00 N ATOM 1111 CA CYS A 76 75.843 -9.098 1.184 1.00 1.00 C ATOM 1112 C CYS A 76 76.242 -10.055 0.058 1.00 1.00 C ATOM 1113 O CYS A 76 75.906 -11.223 0.074 1.00 1.00 O ATOM 1114 CB CYS A 76 76.403 -7.705 0.889 1.00 1.00 C ATOM 1115 SG CYS A 76 75.754 -6.524 2.097 1.00 1.00 S ATOM 0 H CYS A 76 77.223 -10.178 2.401 1.00 1.00 H new ATOM 0 HA CYS A 76 74.756 -9.049 1.249 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.492 -7.723 0.931 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.128 -7.397 -0.120 1.00 1.00 H new ATOM 1120 N GLU A 77 76.952 -9.567 -0.923 1.00 1.00 N ATOM 1121 CA GLU A 77 77.366 -10.444 -2.054 1.00 1.00 C ATOM 1122 C GLU A 77 78.454 -11.416 -1.589 1.00 1.00 C ATOM 1123 O GLU A 77 78.280 -12.618 -1.634 1.00 1.00 O ATOM 1124 CB GLU A 77 77.905 -9.580 -3.199 1.00 1.00 C ATOM 1125 CG GLU A 77 77.884 -10.384 -4.500 1.00 1.00 C ATOM 1126 CD GLU A 77 76.448 -10.483 -5.017 1.00 1.00 C ATOM 1127 OE1 GLU A 77 75.827 -9.446 -5.186 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.992 -11.593 -5.235 1.00 1.00 O ATOM 0 H GLU A 77 77.263 -8.598 -0.990 1.00 1.00 H new ATOM 0 HA GLU A 77 76.504 -11.013 -2.401 1.00 1.00 H new ATOM 0 HB2 GLU A 77 77.299 -8.680 -3.306 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.921 -9.255 -2.976 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.518 -9.905 -5.246 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.290 -11.381 -4.330 1.00 1.00 H new ATOM 1135 N LEU A 78 79.578 -10.912 -1.149 1.00 1.00 N ATOM 1136 CA LEU A 78 80.671 -11.821 -0.692 1.00 1.00 C ATOM 1137 C LEU A 78 81.379 -11.224 0.530 1.00 1.00 C ATOM 1138 O LEU A 78 80.776 -10.999 1.561 1.00 1.00 O ATOM 1139 CB LEU A 78 81.683 -12.007 -1.828 1.00 1.00 C ATOM 1140 CG LEU A 78 82.610 -13.179 -1.504 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.966 -14.486 -1.971 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.947 -12.985 -2.223 1.00 1.00 C ATOM 0 H LEU A 78 79.786 -9.915 -1.087 1.00 1.00 H new ATOM 0 HA LEU A 78 80.242 -12.785 -0.417 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.161 -12.192 -2.767 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.266 -11.096 -1.962 1.00 1.00 H new ATOM 0 HG LEU A 78 82.777 -13.222 -0.428 1.00 1.00 H new ATOM 0 HD11 LEU A 78 82.628 -15.321 -1.740 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.014 -14.625 -1.460 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.797 -14.444 -3.047 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.609 -13.820 -1.993 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.779 -12.942 -3.299 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.407 -12.055 -1.890 1.00 1.00 H new ATOM 1154 N HIS A 79 82.658 -10.979 0.425 1.00 1.00 N ATOM 1155 CA HIS A 79 83.414 -10.411 1.578 1.00 1.00 C ATOM 1156 C HIS A 79 84.800 -9.964 1.103 1.00 1.00 C ATOM 1157 O HIS A 79 85.468 -10.662 0.366 1.00 1.00 O ATOM 1158 CB HIS A 79 83.568 -11.485 2.661 1.00 1.00 C ATOM 1159 CG HIS A 79 84.620 -11.058 3.648 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.960 -9.726 3.836 1.00 1.00 N ATOM 1161 CD2 HIS A 79 85.416 -11.774 4.508 1.00 1.00 C ATOM 1162 CE1 HIS A 79 85.921 -9.680 4.775 1.00 1.00 C ATOM 1163 NE2 HIS A 79 86.234 -10.900 5.217 1.00 1.00 N ATOM 0 H HIS A 79 83.213 -11.149 -0.413 1.00 1.00 H new ATOM 0 HA HIS A 79 82.875 -9.556 1.986 1.00 1.00 H new ATOM 0 HB2 HIS A 79 82.617 -11.640 3.171 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.845 -12.436 2.207 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.408 -12.848 4.617 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.382 -8.769 5.128 1.00 1.00 H new ATOM 0 HE2 HIS A 79 86.927 -11.141 5.926 1.00 1.00 H new ATOM 1172 N GLU A 80 85.239 -8.805 1.520 1.00 1.00 N ATOM 1173 CA GLU A 80 86.584 -8.317 1.094 1.00 1.00 C ATOM 1174 C GLU A 80 87.234 -7.537 2.240 1.00 1.00 C ATOM 1175 O GLU A 80 87.970 -8.083 3.037 1.00 1.00 O ATOM 1176 CB GLU A 80 86.441 -7.394 -0.123 1.00 1.00 C ATOM 1177 CG GLU A 80 85.931 -8.198 -1.321 1.00 1.00 C ATOM 1178 CD GLU A 80 86.983 -9.233 -1.726 1.00 1.00 C ATOM 1179 OE1 GLU A 80 88.144 -8.868 -1.807 1.00 1.00 O ATOM 1180 OE2 GLU A 80 86.608 -10.372 -1.950 1.00 1.00 O ATOM 0 H GLU A 80 84.725 -8.176 2.137 1.00 1.00 H new ATOM 0 HA GLU A 80 87.206 -9.173 0.831 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.750 -6.582 0.103 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.402 -6.938 -0.361 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.995 -8.695 -1.067 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.721 -7.531 -2.157 1.00 1.00 H new ATOM 1187 N LEU A 81 86.975 -6.258 2.320 1.00 1.00 N ATOM 1188 CA LEU A 81 87.585 -5.431 3.405 1.00 1.00 C ATOM 1189 C LEU A 81 86.587 -5.254 4.553 1.00 1.00 C ATOM 1190 O LEU A 81 86.655 -4.300 5.302 1.00 1.00 O ATOM 1191 CB LEU A 81 87.964 -4.055 2.844 1.00 1.00 C ATOM 1192 CG LEU A 81 86.772 -3.459 2.093 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.832 -1.932 2.168 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.824 -3.898 0.628 1.00 1.00 C ATOM 0 H LEU A 81 86.366 -5.749 1.680 1.00 1.00 H new ATOM 0 HA LEU A 81 88.476 -5.935 3.780 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.264 -3.391 3.655 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.819 -4.147 2.174 1.00 1.00 H new ATOM 0 HG LEU A 81 85.845 -3.809 2.547 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.983 -1.508 1.633 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.798 -1.617 3.211 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.759 -1.582 1.714 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.975 -3.474 0.091 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.752 -3.547 0.176 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.782 -4.986 0.572 1.00 1.00 H new ATOM 1206 N ALA A 82 85.661 -6.162 4.701 1.00 1.00 N ATOM 1207 CA ALA A 82 84.664 -6.036 5.806 1.00 1.00 C ATOM 1208 C ALA A 82 85.389 -5.711 7.114 1.00 1.00 C ATOM 1209 O ALA A 82 86.479 -6.184 7.366 1.00 1.00 O ATOM 1210 CB ALA A 82 83.908 -7.356 5.964 1.00 1.00 C ATOM 0 H ALA A 82 85.551 -6.984 4.107 1.00 1.00 H new ATOM 0 HA ALA A 82 83.961 -5.237 5.569 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.180 -7.264 6.770 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.391 -7.593 5.034 1.00 1.00 H new ATOM 0 HB3 ALA A 82 84.613 -8.153 6.200 1.00 1.00 H new ATOM 1216 N GLN A 83 84.790 -4.905 7.948 1.00 1.00 N ATOM 1217 CA GLN A 83 85.441 -4.546 9.238 1.00 1.00 C ATOM 1218 C GLN A 83 84.370 -4.122 10.246 1.00 1.00 C ATOM 1219 O GLN A 83 84.058 -4.843 11.173 1.00 1.00 O ATOM 1220 CB GLN A 83 86.415 -3.386 9.007 1.00 1.00 C ATOM 1221 CG GLN A 83 87.394 -3.298 10.180 1.00 1.00 C ATOM 1222 CD GLN A 83 88.479 -4.364 10.021 1.00 1.00 C ATOM 1223 OE1 GLN A 83 89.499 -4.122 9.407 1.00 1.00 O ATOM 1224 NE2 GLN A 83 88.301 -5.543 10.552 1.00 1.00 N ATOM 0 H GLN A 83 83.876 -4.480 7.790 1.00 1.00 H new ATOM 0 HA GLN A 83 85.985 -5.407 9.627 1.00 1.00 H new ATOM 0 HB2 GLN A 83 86.960 -3.536 8.075 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.865 -2.450 8.908 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.846 -2.307 10.217 1.00 1.00 H new ATOM 0 HG3 GLN A 83 86.864 -3.441 11.121 1.00 1.00 H new ATOM 0 HE21 GLN A 83 87.445 -5.746 11.068 1.00 1.00 H new ATOM 0 HE22 GLN A 83 89.018 -6.261 10.451 1.00 1.00 H new ATOM 1233 N TYR A 84 83.804 -2.958 10.067 1.00 1.00 N ATOM 1234 CA TYR A 84 82.748 -2.478 11.006 1.00 1.00 C ATOM 1235 C TYR A 84 81.475 -2.171 10.216 1.00 1.00 C ATOM 1236 O TYR A 84 80.403 -2.041 10.772 1.00 1.00 O ATOM 1237 CB TYR A 84 83.234 -1.209 11.713 1.00 1.00 C ATOM 1238 CG TYR A 84 84.201 -1.584 12.810 1.00 1.00 C ATOM 1239 CD1 TYR A 84 83.721 -1.931 14.079 1.00 1.00 C ATOM 1240 CD2 TYR A 84 85.579 -1.585 12.559 1.00 1.00 C ATOM 1241 CE1 TYR A 84 84.618 -2.278 15.096 1.00 1.00 C ATOM 1242 CE2 TYR A 84 86.475 -1.933 13.576 1.00 1.00 C ATOM 1243 CZ TYR A 84 85.995 -2.280 14.845 1.00 1.00 C ATOM 1244 OH TYR A 84 86.879 -2.622 15.847 1.00 1.00 O ATOM 0 H TYR A 84 84.029 -2.316 9.307 1.00 1.00 H new ATOM 0 HA TYR A 84 82.539 -3.247 11.750 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.718 -0.544 10.998 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.387 -0.665 12.131 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.659 -1.931 14.273 1.00 1.00 H new ATOM 0 HD2 TYR A 84 85.950 -1.317 11.581 1.00 1.00 H new ATOM 0 HE1 TYR A 84 84.247 -2.544 16.075 1.00 1.00 H new ATOM 0 HE2 TYR A 84 87.537 -1.934 13.382 1.00 1.00 H new ATOM 0 HH TYR A 84 87.796 -2.573 15.505 1.00 1.00 H new ATOM 1254 N GLY A 85 81.584 -2.062 8.920 1.00 1.00 N ATOM 1255 CA GLY A 85 80.378 -1.773 8.094 1.00 1.00 C ATOM 1256 C GLY A 85 79.560 -3.055 7.931 1.00 1.00 C ATOM 1257 O GLY A 85 78.922 -3.266 6.921 1.00 1.00 O ATOM 0 H GLY A 85 82.455 -2.160 8.398 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.774 -1.000 8.569 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.675 -1.390 7.117 1.00 1.00 H new ATOM 1261 N ILE A 86 79.591 -3.912 8.925 1.00 1.00 N ATOM 1262 CA ILE A 86 78.833 -5.207 8.872 1.00 1.00 C ATOM 1263 C ILE A 86 77.936 -5.275 7.629 1.00 1.00 C ATOM 1264 O ILE A 86 78.137 -6.100 6.759 1.00 1.00 O ATOM 1265 CB ILE A 86 77.973 -5.349 10.136 1.00 1.00 C ATOM 1266 CG1 ILE A 86 77.075 -4.118 10.281 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.881 -5.463 11.362 1.00 1.00 C ATOM 1268 CD1 ILE A 86 76.744 -3.898 11.758 1.00 1.00 C ATOM 0 H ILE A 86 80.118 -3.767 9.786 1.00 1.00 H new ATOM 0 HA ILE A 86 79.553 -6.024 8.818 1.00 1.00 H new ATOM 0 HB ILE A 86 77.356 -6.244 10.057 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.576 -3.239 9.875 1.00 1.00 H new ATOM 0 HG13 ILE A 86 76.158 -4.255 9.708 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.270 -5.564 12.259 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.522 -6.338 11.260 1.00 1.00 H new ATOM 0 HG23 ILE A 86 79.498 -4.568 11.442 1.00 1.00 H new ATOM 0 HD11 ILE A 86 76.105 -3.021 11.861 1.00 1.00 H new ATOM 0 HD12 ILE A 86 76.225 -4.773 12.149 1.00 1.00 H new ATOM 0 HD13 ILE A 86 77.666 -3.742 12.318 1.00 1.00 H new ATOM 1280 N CYS A 87 76.951 -4.421 7.533 1.00 1.00 N ATOM 1281 CA CYS A 87 76.057 -4.456 6.342 1.00 1.00 C ATOM 1282 C CYS A 87 76.895 -4.289 5.073 1.00 1.00 C ATOM 1283 CB CYS A 87 75.031 -3.322 6.432 1.00 1.00 C ATOM 1284 SG CYS A 87 73.594 -3.727 5.408 1.00 1.00 S ATOM 0 H CYS A 87 76.729 -3.705 8.225 1.00 1.00 H new ATOM 0 HA CYS A 87 75.534 -5.412 6.310 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.724 -3.176 7.468 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.477 -2.386 6.097 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.355 -2.089 4.311 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.589 -0.578 1.001 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.402 -3.625 3.261 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.328 -2.363 2.053 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.566 -3.013 1.248 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.699 0.400 1.652 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.123 -1.596 1.439 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.676 -3.099 2.419 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.424 -1.607 2.240 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.863 -3.822 1.361 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.265 -0.430 2.739 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.242 0.281 4.152 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.381 -1.259 2.182 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.989 -0.236 1.118 1.00 1.00 C HETATM 1304 C1X RCY A 110 61.565 -0.872 3.408 1.00 1.00 C HETATM 1305 C1Y RCY A 110 63.085 0.821 0.962 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.745 -0.959 -0.206 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.005 -1.746 -0.060 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.377 -0.248 -0.946 1.00 1.00 H new HETATM 0 H1YB RCY A 110 62.754 1.588 0.262 1.00 1.00 H new HETATM 0 H1YA RCY A 110 63.291 1.277 1.930 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.621 0.585 4.995 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.216 -0.044 4.518 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.938 0.451 0.873 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.838 -3.282 2.014 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.635 -1.843 5.092 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.976 -2.921 3.718 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.678 -1.399 -0.558 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.992 0.351 0.582 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.372 1.125 3.474 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.611 0.090 3.439 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.393 -3.856 0.409 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.879 1.421 1.989 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.076 -3.142 0.283 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.304 -2.371 4.768 1.00 1.00 H new HETATM 1309 C1C RCY A 121 70.323 -5.375 -10.883 1.00 1.00 C HETATM 1310 O1G RCY A 121 74.759 -7.384 -11.677 1.00 1.00 O HETATM 1311 O1H RCY A 121 70.390 -7.820 -9.941 1.00 1.00 O HETATM 1312 O1J RCY A 121 69.666 -6.098 -8.034 1.00 1.00 O HETATM 1313 C1L RCY A 121 73.146 -9.223 -11.644 1.00 1.00 C HETATM 1314 C1M RCY A 121 73.368 -5.433 -8.782 1.00 1.00 C HETATM 1315 C1P RCY A 121 73.664 -7.816 -11.322 1.00 1.00 C HETATM 1316 C1Q RCY A 121 71.556 -8.048 -10.258 1.00 1.00 C HETATM 1317 N1R RCY A 121 72.649 -7.017 -10.506 1.00 1.00 N HETATM 1318 C1S RCY A 121 72.173 -9.418 -10.476 1.00 1.00 C HETATM 1319 C1U RCY A 121 72.706 -5.557 -10.049 1.00 1.00 C HETATM 1320 C1V RCY A 121 71.382 -3.439 -9.636 1.00 1.00 C HETATM 1321 N1V RCY A 121 70.973 -5.622 -8.477 1.00 1.00 N HETATM 1322 C1W RCY A 121 72.295 -5.677 -7.713 1.00 1.00 C HETATM 1323 C1X RCY A 121 71.322 -4.959 -9.802 1.00 1.00 C HETATM 1324 C1Y RCY A 121 72.342 -4.583 -6.643 1.00 1.00 C HETATM 1325 C1Z RCY A 121 72.448 -7.059 -7.078 1.00 1.00 C HETATM 0 H1ZB RCY A 121 72.352 -7.825 -7.847 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 73.429 -7.137 -6.609 1.00 1.00 H new HETATM 0 H1YB RCY A 121 73.322 -4.583 -6.166 1.00 1.00 H new HETATM 0 H1YA RCY A 121 72.164 -3.613 -7.107 1.00 1.00 H new HETATM 0 H1VB RCY A 121 71.688 -2.982 -10.577 1.00 1.00 H new HETATM 0 H1VA RCY A 121 70.398 -3.065 -9.354 1.00 1.00 H new HETATM 0 H1MA RCY A 121 74.178 -6.157 -8.693 1.00 1.00 H new HETATM 0 H1LA RCY A 121 72.650 -9.273 -12.613 1.00 1.00 H new HETATM 0 H1CB RCY A 121 70.675 -5.032 -11.856 1.00 1.00 H new HETATM 0 H1CA RCY A 121 70.230 -6.461 -10.894 1.00 1.00 H new HETATM 0 H1Z RCY A 121 71.673 -7.201 -6.325 1.00 1.00 H new HETATM 0 H1Y RCY A 121 71.574 -4.774 -5.894 1.00 1.00 H new HETATM 0 H1V RCY A 121 72.103 -3.186 -8.859 1.00 1.00 H new HETATM 0 H1U RCY A 121 73.227 -5.042 -10.856 1.00 1.00 H new HETATM 0 H1S RCY A 121 72.691 -9.766 -9.582 1.00 1.00 H new HETATM 0 H1M RCY A 121 73.812 -4.444 -8.670 1.00 1.00 H new HETATM 0 H1L RCY A 121 73.941 -9.968 -11.654 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.351 -4.929 -10.671 1.00 1.00 H new HETATM 1328 C1C RCY A 130 70.546 8.793 -6.627 1.00 1.00 C HETATM 1329 O1G RCY A 130 69.135 4.940 -10.328 1.00 1.00 O HETATM 1330 O1H RCY A 130 69.293 9.460 -8.968 1.00 1.00 O HETATM 1331 O1J RCY A 130 72.705 7.288 -5.162 1.00 1.00 O HETATM 1332 C1L RCY A 130 68.287 7.016 -11.309 1.00 1.00 C HETATM 1333 C1M RCY A 130 71.092 5.449 -8.116 1.00 1.00 C HETATM 1334 C1P RCY A 130 68.979 6.158 -10.243 1.00 1.00 C HETATM 1335 C1Q RCY A 130 68.910 8.381 -9.418 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.452 7.003 -9.061 1.00 1.00 N HETATM 1337 C1S RCY A 130 67.803 8.179 -10.436 1.00 1.00 C HETATM 1338 C1U RCY A 130 70.261 6.584 -7.832 1.00 1.00 C HETATM 1339 C1V RCY A 130 72.094 8.181 -8.539 1.00 1.00 C HETATM 1340 N1V RCY A 130 72.109 6.847 -6.420 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.213 5.468 -7.069 1.00 1.00 C HETATM 1342 C1X RCY A 130 71.248 7.658 -7.377 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.579 5.293 -7.740 1.00 1.00 C HETATM 1344 C1Z RCY A 130 71.996 4.395 -6.003 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.047 4.571 -5.497 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 71.979 3.412 -6.474 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.605 4.340 -8.268 1.00 1.00 H new HETATM 0 H1YA RCY A 130 73.743 6.105 -8.448 1.00 1.00 H new HETATM 0 H1VB RCY A 130 71.455 8.712 -9.244 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.856 8.860 -8.157 1.00 1.00 H new HETATM 0 H1MA RCY A 130 70.520 4.523 -8.057 1.00 1.00 H new HETATM 0 H1LA RCY A 130 68.971 7.340 -12.093 1.00 1.00 H new HETATM 0 H1CB RCY A 130 69.809 9.260 -7.281 1.00 1.00 H new HETATM 0 H1CA RCY A 130 70.046 8.392 -5.745 1.00 1.00 H new HETATM 0 H1Z RCY A 130 72.807 4.435 -5.276 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.362 5.309 -6.982 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.575 7.344 -9.045 1.00 1.00 H new HETATM 0 H1U RCY A 130 69.507 6.383 -7.071 1.00 1.00 H new HETATM 0 H1S RCY A 130 66.856 7.943 -9.950 1.00 1.00 H new HETATM 0 H1M RCY A 130 71.500 5.508 -9.125 1.00 1.00 H new HETATM 0 H1L RCY A 130 67.466 6.492 -11.798 1.00 1.00 H new HETATM 0 H1C RCY A 130 71.282 9.536 -6.320 1.00 1.00 H new HETATM 1347 C1C RCY A 138 74.554 6.228 4.034 1.00 1.00 C HETATM 1348 O1G RCY A 138 73.887 7.449 0.676 1.00 1.00 O HETATM 1349 O1H RCY A 138 73.193 10.496 4.215 1.00 1.00 O HETATM 1350 O1J RCY A 138 75.487 5.292 1.327 1.00 1.00 O HETATM 1351 C1L RCY A 138 72.021 8.907 1.288 1.00 1.00 C HETATM 1352 C1M RCY A 138 76.503 8.857 2.308 1.00 1.00 C HETATM 1353 C1P RCY A 138 73.400 8.260 1.462 1.00 1.00 C HETATM 1354 C1Q RCY A 138 73.021 9.624 3.365 1.00 1.00 C HETATM 1355 N1R RCY A 138 74.094 8.747 2.733 1.00 1.00 N HETATM 1356 C1S RCY A 138 71.693 9.222 2.752 1.00 1.00 C HETATM 1357 C1U RCY A 138 75.502 8.440 3.247 1.00 1.00 C HETATM 1358 C1V RCY A 138 77.044 6.671 4.199 1.00 1.00 C HETATM 1359 N1V RCY A 138 75.928 6.530 1.962 1.00 1.00 N HETATM 1360 C1W RCY A 138 76.665 7.701 1.313 1.00 1.00 C HETATM 1361 C1X RCY A 138 75.758 6.943 3.417 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.145 7.361 1.118 1.00 1.00 C HETATM 1363 C1Z RCY A 138 76.005 8.026 -0.028 1.00 1.00 C HETATM 0 H1ZB RCY A 138 74.941 8.206 0.124 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 76.466 8.917 -0.454 1.00 1.00 H new HETATM 0 H1YB RCY A 138 78.671 8.234 0.733 1.00 1.00 H new HETATM 0 H1YA RCY A 138 78.580 7.068 2.073 1.00 1.00 H new HETATM 0 H1VB RCY A 138 76.927 7.022 5.224 1.00 1.00 H new HETATM 0 H1VA RCY A 138 77.248 5.600 4.203 1.00 1.00 H new HETATM 0 H1MA RCY A 138 76.200 9.771 1.797 1.00 1.00 H new HETATM 0 H1LA RCY A 138 72.055 9.801 0.666 1.00 1.00 H new HETATM 0 H1CB RCY A 138 74.342 6.653 5.015 1.00 1.00 H new HETATM 0 H1CA RCY A 138 73.685 6.355 3.388 1.00 1.00 H new HETATM 0 H1Z RCY A 138 76.137 7.187 -0.711 1.00 1.00 H new HETATM 0 H1Y RCY A 138 78.239 6.539 0.409 1.00 1.00 H new HETATM 0 H1V RCY A 138 77.874 7.197 3.728 1.00 1.00 H new HETATM 0 H1U RCY A 138 75.561 8.968 4.199 1.00 1.00 H new HETATM 0 H1S RCY A 138 71.269 8.355 3.258 1.00 1.00 H new HETATM 0 H1M RCY A 138 77.445 9.071 2.813 1.00 1.00 H new HETATM 0 H1L RCY A 138 71.297 8.231 0.834 1.00 1.00 H new HETATM 0 H1C RCY A 138 74.776 5.166 4.138 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.859 -1.776 -0.936 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.566 1.336 -1.278 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.074 1.484 2.720 1.00 1.00 O HETATM 1369 O1J RCY A 150 85.731 -4.107 -0.569 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.651 2.916 0.588 1.00 1.00 C HETATM 1371 C1M RCY A 150 86.817 -0.815 1.070 1.00 1.00 C HETATM 1372 C1P RCY A 150 84.023 1.640 -0.178 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.156 1.564 1.906 1.00 1.00 C HETATM 1374 N1R RCY A 150 85.031 0.793 0.597 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.931 2.453 2.022 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.739 -0.496 0.178 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.099 -1.813 1.588 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.863 -2.833 0.132 1.00 1.00 N HETATM 1379 C1W RCY A 150 87.070 -2.319 0.915 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.829 -1.722 0.247 1.00 1.00 C HETATM 1381 C1Y RCY A 150 87.148 -2.997 2.286 1.00 1.00 C HETATM 1382 C1Z RCY A 150 88.341 -2.588 0.109 1.00 1.00 C HETATM 0 H1ZB RCY A 150 88.242 -2.149 -0.884 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 89.196 -2.143 0.619 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.402 -0.980 1.680 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.550 -2.753 1.640 1.00 1.00 H new HETATM 0 H1MA RCY A 150 87.710 -0.242 0.821 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.263 3.770 0.298 1.00 1.00 H new HETATM 0 H1Z RCY A 150 88.493 -3.663 0.017 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.824 -1.771 2.401 1.00 1.00 H new HETATM 0 H1S RCY A 150 83.083 1.907 2.435 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.611 3.204 0.438 1.00 1.00 H new HETATM 1385 C1C RCY A 160 80.787 4.480 -3.440 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.546 2.732 -6.915 1.00 1.00 O HETATM 1387 O1H RCY A 160 81.663 4.836 -5.954 1.00 1.00 O HETATM 1388 O1J RCY A 160 77.940 4.820 -2.519 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.784 4.554 -7.979 1.00 1.00 C HETATM 1390 C1M RCY A 160 78.683 1.634 -4.520 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.522 3.480 -6.916 1.00 1.00 C HETATM 1392 C1Q RCY A 160 80.493 4.636 -6.275 1.00 1.00 C HETATM 1393 N1R RCY A 160 79.625 3.455 -5.858 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.644 5.527 -7.164 1.00 1.00 C HETATM 1395 C1U RCY A 160 79.817 2.497 -4.681 1.00 1.00 C HETATM 1396 C1V RCY A 160 80.404 2.286 -2.227 1.00 1.00 C HETATM 1397 N1V RCY A 160 78.465 3.597 -3.118 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.674 2.410 -3.664 1.00 1.00 C HETATM 1399 C1X RCY A 160 79.924 3.220 -3.339 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.159 1.537 -2.516 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.511 2.929 -4.509 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.892 3.595 -5.283 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.996 2.089 -4.975 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.670 0.652 -2.923 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.995 1.232 -1.887 1.00 1.00 H new HETATM 0 H1VB RCY A 160 81.431 1.980 -2.427 1.00 1.00 H new HETATM 0 H1VA RCY A 160 80.360 2.807 -1.270 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.253 1.371 -5.487 1.00 1.00 H new HETATM 0 H1LA RCY A 160 79.310 4.160 -8.849 1.00 1.00 H new HETATM 0 H1CB RCY A 160 81.792 4.208 -3.763 1.00 1.00 H new HETATM 0 H1CA RCY A 160 80.346 5.166 -4.164 1.00 1.00 H new HETATM 0 H1Z RCY A 160 75.814 3.474 -3.873 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.444 2.104 -1.920 1.00 1.00 H new HETATM 0 H1V RCY A 160 79.764 1.405 -2.190 1.00 1.00 H new HETATM 0 H1U RCY A 160 80.734 1.958 -4.920 1.00 1.00 H new HETATM 0 H1S RCY A 160 79.026 6.203 -6.573 1.00 1.00 H new HETATM 0 H1M RCY A 160 78.969 0.701 -4.035 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.865 5.014 -8.343 1.00 1.00 H new HETATM 0 H1C RCY A 160 80.838 4.965 -2.465 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.597 0.330 -6.856 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.218 2.773 -6.563 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.990 -1.525 -5.733 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.655 0.365 -4.555 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.326 1.686 -7.164 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.370 0.502 -3.613 1.00 1.00 C HETATM 1410 C1P RCY A 168 76.950 1.787 -6.494 1.00 1.00 C HETATM 1411 C1Q RCY A 168 77.877 -0.309 -5.879 1.00 1.00 C HETATM 1412 N1R RCY A 168 76.601 0.511 -5.730 1.00 1.00 N HETATM 1413 C1S RCY A 168 78.991 0.656 -6.243 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.308 0.140 -5.000 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.356 2.405 -5.613 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.089 0.605 -4.419 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.917 0.615 -3.135 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.092 0.901 -5.526 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.701 1.923 -2.369 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.521 -0.585 -2.275 1.00 1.00 C HETATM 0 H1YB RCY A 168 74.361 1.950 -1.502 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.924 2.768 -3.021 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.116 2.598 -6.370 1.00 1.00 H new HETATM 0 H1VA RCY A 168 73.435 2.921 -5.884 1.00 1.00 H new HETATM 0 H1LA RCY A 168 78.263 1.343 -8.197 1.00 1.00 H new HETATM 0 H1CB RCY A 168 74.391 0.398 -7.599 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.315 -0.714 -6.721 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.486 -0.475 -1.952 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.664 1.984 -2.038 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.706 2.769 -4.647 1.00 1.00 H new HETATM 0 H1U RCY A 168 75.208 -0.934 -5.157 1.00 1.00 H new HETATM 0 H1S RCY A 168 79.410 1.130 -5.356 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.898 1.446 -3.480 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.731 0.898 -7.196 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.451 -3.195 1.184 1.00 1.00 C HETATM 1424 O1G RCY A 173 79.645 -3.575 -1.620 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.278 -2.045 2.634 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.521 -2.649 -1.062 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.709 -3.580 0.584 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.208 -1.898 -1.803 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.602 -3.264 -0.430 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.954 -2.300 1.638 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.440 -2.516 0.220 1.00 1.00 N HETATM 1432 C1S RCY A 173 80.463 -2.457 1.598 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.102 -2.089 -0.385 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.505 -4.530 -0.696 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.973 -2.615 -1.205 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.785 -2.031 -2.360 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.017 -3.155 -0.237 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.763 -2.978 -3.563 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.207 -0.667 -2.738 1.00 1.00 C HETATM 0 H1YB RCY A 173 76.413 -2.587 -4.346 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.115 -3.963 -3.257 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.601 -4.571 1.024 1.00 1.00 H new HETATM 0 H1CB RCY A 173 76.252 -3.421 1.888 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.015 -2.227 1.429 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.745 -3.059 -3.944 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.844 -1.176 0.152 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.683 -3.965 1.248 1.00 1.00 H new HETATM 1442 C1C RCY A 176 80.177 -1.035 2.358 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.783 -2.700 0.483 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.960 -4.183 3.965 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.422 0.643 4.847 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.349 -4.664 0.755 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.437 -1.761 4.737 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.019 -3.355 1.190 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.775 -4.157 3.045 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.620 -2.965 2.613 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.125 -5.313 2.126 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.972 -1.705 3.407 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.117 -2.822 4.156 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.479 -0.461 4.694 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.276 -0.790 5.576 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.475 -1.540 3.621 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.732 -1.457 6.877 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.506 0.497 5.873 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.242 0.988 4.936 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 76.597 0.258 6.426 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.859 -1.760 7.456 1.00 1.00 H new HETATM 0 H1YA RCY A 176 79.336 -2.334 6.644 1.00 1.00 H new HETATM 0 H1MA RCY A 176 76.385 -1.475 4.746 1.00 1.00 H new HETATM 0 H1CA RCY A 176 79.764 -0.067 2.074 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.128 1.164 6.469 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.326 -0.752 7.459 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.589 -3.147 5.053 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.495 -2.773 5.138 1.00 1.00 H new HETATM 0 H1C RCY A 176 81.245 -0.931 2.552 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.975 -5.477 0.027 1.00 1.00 C HETATM 1462 O1G RCY A 187 73.934 -7.460 1.894 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.311 -4.080 4.180 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.496 -3.042 0.938 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.264 -5.723 3.482 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.127 -6.255 2.936 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.255 -6.533 2.635 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.523 -4.986 3.911 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.689 -6.044 2.828 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.199 -5.255 4.603 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.970 -6.494 2.122 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.353 -6.355 0.005 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.740 -4.393 1.436 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.544 -4.803 2.668 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.249 -5.706 0.843 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.046 -4.719 2.380 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.168 -3.893 3.837 1.00 1.00 C HETATM 0 H1ZA RCY A 187 78.670 -4.236 4.742 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.008 -7.320 -0.367 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.599 -5.708 -0.837 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.899 -6.406 3.991 1.00 1.00 H new HETATM 0 H1LA RCY A 187 72.825 -4.892 2.930 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.543 -6.438 -0.251 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.256 -4.916 0.624 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.240 -6.500 0.622 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.303 -6.017 5.376 1.00 1.00 H new HETATM 0 H1L RCY A 187 72.438 -6.330 3.853 1.00 1.00 H new