USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 22 THR O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 121 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 22 THR O :(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 RCYH1YB : A 138 RCY C1Y : A 78 LEU CD2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 78 LEU CD2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 78 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 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1S :(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 RCYH1LA : A 173 RCY C1L : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.267 (180deg=-1.18!) USER MOD Single : A 2 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.0677 (180deg=-0.69) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -29:sc= 0.289 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.03 (180deg=-0.643) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0166 (180deg=-0.244) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00146) USER MOD Single : A 32 GLN : amide:sc= -34.2! C(o=-34!,f=-41!) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.411 F(o=-2.9!,f=-0.41) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.201 (180deg=-0.945) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -2.93! (180deg=-3.05) USER MOD Single : A 48 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD Single : A 57 MET CE :methyl 157:sc= -0.111 (180deg=-1.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.984! C(o=-0.98!,f=-9.7!) USER MOD Single : A 75 HIS : no HE2:sc= -4.97! C(o=-5!,f=-7.1!) USER MOD Single : A 79 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-6.1!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.139 -28.818 9.185 1.00 1.00 N ATOM 2 CA MET A 1 78.278 -28.289 8.384 1.00 1.00 C ATOM 3 C MET A 1 78.295 -26.762 8.469 1.00 1.00 C ATOM 4 O MET A 1 77.822 -26.076 7.585 1.00 1.00 O ATOM 5 CB MET A 1 78.116 -28.717 6.923 1.00 1.00 C ATOM 6 CG MET A 1 77.988 -30.240 6.848 1.00 1.00 C ATOM 7 SD MET A 1 76.327 -30.732 7.373 1.00 1.00 S ATOM 8 CE MET A 1 75.542 -30.655 5.744 1.00 1.00 C ATOM 0 H1 MET A 1 77.503 -29.429 9.944 1.00 1.00 H new ATOM 0 H2 MET A 1 76.610 -28.025 9.602 1.00 1.00 H new ATOM 0 H3 MET A 1 76.508 -29.369 8.569 1.00 1.00 H new ATOM 0 HA MET A 1 79.214 -28.685 8.777 1.00 1.00 H new ATOM 0 HB2 MET A 1 77.233 -28.246 6.491 1.00 1.00 H new ATOM 0 HB3 MET A 1 78.974 -28.384 6.338 1.00 1.00 H new ATOM 0 HG2 MET A 1 78.175 -30.582 5.830 1.00 1.00 H new ATOM 0 HG3 MET A 1 78.737 -30.710 7.485 1.00 1.00 H new ATOM 0 HE1 MET A 1 74.490 -30.927 5.834 1.00 1.00 H new ATOM 0 HE2 MET A 1 75.623 -29.642 5.349 1.00 1.00 H new ATOM 0 HE3 MET A 1 76.040 -31.350 5.067 1.00 1.00 H new ATOM 17 N ASN A 2 78.837 -26.225 9.528 1.00 1.00 N ATOM 18 CA ASN A 2 78.885 -24.743 9.673 1.00 1.00 C ATOM 19 C ASN A 2 77.485 -24.163 9.463 1.00 1.00 C ATOM 20 O ASN A 2 76.548 -24.871 9.151 1.00 1.00 O ATOM 21 CB ASN A 2 79.841 -24.158 8.630 1.00 1.00 C ATOM 22 CG ASN A 2 81.281 -24.526 8.994 1.00 1.00 C ATOM 23 OD1 ASN A 2 81.587 -25.680 9.217 1.00 1.00 O ATOM 24 ND2 ASN A 2 82.184 -23.586 9.063 1.00 1.00 N ATOM 0 H ASN A 2 79.249 -26.750 10.300 1.00 1.00 H new ATOM 0 HA ASN A 2 79.237 -24.488 10.672 1.00 1.00 H new ATOM 0 HB2 ASN A 2 79.595 -24.542 7.640 1.00 1.00 H new ATOM 0 HB3 ASN A 2 79.731 -23.074 8.588 1.00 1.00 H new ATOM 0 HD21 ASN A 2 83.147 -23.821 9.304 1.00 1.00 H new ATOM 0 HD22 ASN A 2 81.927 -22.617 8.876 1.00 1.00 H new ATOM 31 N LEU A 3 77.337 -22.876 9.631 1.00 1.00 N ATOM 32 CA LEU A 3 76.002 -22.238 9.441 1.00 1.00 C ATOM 33 C LEU A 3 76.185 -20.904 8.715 1.00 1.00 C ATOM 34 O LEU A 3 75.578 -19.910 9.059 1.00 1.00 O ATOM 35 CB LEU A 3 75.353 -21.991 10.808 1.00 1.00 C ATOM 36 CG LEU A 3 74.754 -23.295 11.336 1.00 1.00 C ATOM 37 CD1 LEU A 3 74.709 -23.255 12.865 1.00 1.00 C ATOM 38 CD2 LEU A 3 73.334 -23.461 10.790 1.00 1.00 C ATOM 0 H LEU A 3 78.087 -22.236 9.893 1.00 1.00 H new ATOM 0 HA LEU A 3 75.362 -22.894 8.851 1.00 1.00 H new ATOM 0 HB2 LEU A 3 76.094 -21.609 11.510 1.00 1.00 H new ATOM 0 HB3 LEU A 3 74.576 -21.231 10.721 1.00 1.00 H new ATOM 0 HG LEU A 3 75.370 -24.134 11.012 1.00 1.00 H new ATOM 0 HD11 LEU A 3 74.282 -24.185 13.241 1.00 1.00 H new ATOM 0 HD12 LEU A 3 75.720 -23.136 13.256 1.00 1.00 H new ATOM 0 HD13 LEU A 3 74.093 -22.416 13.189 1.00 1.00 H new ATOM 0 HD21 LEU A 3 72.906 -24.390 11.166 1.00 1.00 H new ATOM 0 HD22 LEU A 3 72.719 -22.621 11.114 1.00 1.00 H new ATOM 0 HD23 LEU A 3 73.364 -23.490 9.701 1.00 1.00 H new ATOM 50 N GLU A 4 77.019 -20.876 7.711 1.00 1.00 N ATOM 51 CA GLU A 4 77.243 -19.607 6.964 1.00 1.00 C ATOM 52 C GLU A 4 75.887 -18.993 6.601 1.00 1.00 C ATOM 53 O GLU A 4 74.904 -19.692 6.455 1.00 1.00 O ATOM 54 CB GLU A 4 78.032 -19.907 5.683 1.00 1.00 C ATOM 55 CG GLU A 4 79.525 -19.980 6.007 1.00 1.00 C ATOM 56 CD GLU A 4 80.057 -18.574 6.290 1.00 1.00 C ATOM 57 OE1 GLU A 4 80.280 -17.844 5.338 1.00 1.00 O ATOM 58 OE2 GLU A 4 80.230 -18.250 7.453 1.00 1.00 O ATOM 0 H GLU A 4 77.554 -21.677 7.376 1.00 1.00 H new ATOM 0 HA GLU A 4 77.807 -18.907 7.581 1.00 1.00 H new ATOM 0 HB2 GLU A 4 77.697 -20.849 5.249 1.00 1.00 H new ATOM 0 HB3 GLU A 4 77.848 -19.131 4.940 1.00 1.00 H new ATOM 0 HG2 GLU A 4 79.689 -20.623 6.872 1.00 1.00 H new ATOM 0 HG3 GLU A 4 80.067 -20.424 5.172 1.00 1.00 H new ATOM 65 N PRO A 5 75.833 -17.694 6.458 1.00 1.00 N ATOM 66 CA PRO A 5 74.571 -16.978 6.107 1.00 1.00 C ATOM 67 C PRO A 5 74.084 -17.340 4.694 1.00 1.00 C ATOM 68 O PRO A 5 74.790 -17.138 3.726 1.00 1.00 O ATOM 69 CB PRO A 5 74.954 -15.493 6.182 1.00 1.00 C ATOM 70 CG PRO A 5 76.438 -15.457 6.027 1.00 1.00 C ATOM 71 CD PRO A 5 76.966 -16.768 6.609 1.00 1.00 C ATOM 0 HA PRO A 5 73.752 -17.243 6.775 1.00 1.00 H new ATOM 0 HB2 PRO A 5 74.463 -14.921 5.395 1.00 1.00 H new ATOM 0 HB3 PRO A 5 74.648 -15.056 7.132 1.00 1.00 H new ATOM 0 HG2 PRO A 5 76.716 -15.358 4.978 1.00 1.00 H new ATOM 0 HG3 PRO A 5 76.862 -14.601 6.551 1.00 1.00 H new ATOM 0 HD2 PRO A 5 77.846 -17.120 6.071 1.00 1.00 H new ATOM 0 HD3 PRO A 5 77.255 -16.655 7.654 1.00 1.00 H new ATOM 79 N PRO A 6 72.892 -17.873 4.569 1.00 1.00 N ATOM 80 CA PRO A 6 72.329 -18.264 3.246 1.00 1.00 C ATOM 81 C PRO A 6 71.802 -17.059 2.461 1.00 1.00 C ATOM 82 O PRO A 6 71.394 -16.066 3.031 1.00 1.00 O ATOM 83 CB PRO A 6 71.185 -19.211 3.612 1.00 1.00 C ATOM 84 CG PRO A 6 70.730 -18.759 4.961 1.00 1.00 C ATOM 85 CD PRO A 6 71.953 -18.162 5.666 1.00 1.00 C ATOM 0 HA PRO A 6 73.081 -18.717 2.599 1.00 1.00 H new ATOM 0 HB2 PRO A 6 70.377 -19.155 2.883 1.00 1.00 H new ATOM 0 HB3 PRO A 6 71.522 -20.247 3.635 1.00 1.00 H new ATOM 0 HG2 PRO A 6 69.935 -18.018 4.872 1.00 1.00 H new ATOM 0 HG3 PRO A 6 70.325 -19.594 5.532 1.00 1.00 H new ATOM 0 HD2 PRO A 6 71.694 -17.258 6.218 1.00 1.00 H new ATOM 0 HD3 PRO A 6 72.381 -18.862 6.384 1.00 1.00 H new ATOM 93 N LYS A 7 71.805 -17.140 1.159 1.00 1.00 N ATOM 94 CA LYS A 7 71.302 -16.000 0.343 1.00 1.00 C ATOM 95 C LYS A 7 69.846 -15.722 0.712 1.00 1.00 C ATOM 96 O LYS A 7 69.552 -14.884 1.541 1.00 1.00 O ATOM 97 CB LYS A 7 71.402 -16.346 -1.150 1.00 1.00 C ATOM 98 CG LYS A 7 71.139 -17.839 -1.353 1.00 1.00 C ATOM 99 CD LYS A 7 72.472 -18.578 -1.494 1.00 1.00 C ATOM 100 CE LYS A 7 72.217 -20.085 -1.557 1.00 1.00 C ATOM 101 NZ LYS A 7 71.645 -20.547 -0.261 1.00 1.00 N ATOM 0 H LYS A 7 72.134 -17.945 0.626 1.00 1.00 H new ATOM 0 HA LYS A 7 71.905 -15.114 0.543 1.00 1.00 H new ATOM 0 HB2 LYS A 7 70.680 -15.759 -1.718 1.00 1.00 H new ATOM 0 HB3 LYS A 7 72.391 -16.087 -1.528 1.00 1.00 H new ATOM 0 HG2 LYS A 7 70.577 -18.238 -0.508 1.00 1.00 H new ATOM 0 HG3 LYS A 7 70.529 -17.994 -2.243 1.00 1.00 H new ATOM 0 HD2 LYS A 7 72.989 -18.248 -2.395 1.00 1.00 H new ATOM 0 HD3 LYS A 7 73.121 -18.343 -0.650 1.00 1.00 H new ATOM 0 HE2 LYS A 7 71.531 -20.315 -2.372 1.00 1.00 H new ATOM 0 HE3 LYS A 7 73.147 -20.614 -1.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 71.843 -21.560 -0.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 72.076 -20.011 0.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 70.617 -20.393 -0.261 1.00 1.00 H new ATOM 115 N ALA A 8 68.934 -16.421 0.104 1.00 1.00 N ATOM 116 CA ALA A 8 67.494 -16.202 0.416 1.00 1.00 C ATOM 117 C ALA A 8 66.644 -17.230 -0.332 1.00 1.00 C ATOM 118 O ALA A 8 66.716 -17.350 -1.539 1.00 1.00 O ATOM 119 CB ALA A 8 67.088 -14.792 -0.018 1.00 1.00 C ATOM 0 H ALA A 8 69.122 -17.137 -0.598 1.00 1.00 H new ATOM 0 HA ALA A 8 67.335 -16.314 1.489 1.00 1.00 H new ATOM 0 HB1 ALA A 8 66.034 -14.630 0.210 1.00 1.00 H new ATOM 0 HB2 ALA A 8 67.691 -14.059 0.517 1.00 1.00 H new ATOM 0 HB3 ALA A 8 67.249 -14.681 -1.090 1.00 1.00 H new ATOM 125 N GLU A 9 65.836 -17.973 0.375 1.00 1.00 N ATOM 126 CA GLU A 9 64.980 -18.990 -0.296 1.00 1.00 C ATOM 127 C GLU A 9 63.850 -18.283 -1.047 1.00 1.00 C ATOM 128 O GLU A 9 62.689 -18.608 -0.892 1.00 1.00 O ATOM 129 CB GLU A 9 64.385 -19.932 0.754 1.00 1.00 C ATOM 130 CG GLU A 9 63.771 -19.110 1.889 1.00 1.00 C ATOM 131 CD GLU A 9 62.877 -20.010 2.745 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.716 -21.165 2.387 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.369 -19.528 3.744 1.00 1.00 O ATOM 0 H GLU A 9 65.732 -17.919 1.388 1.00 1.00 H new ATOM 0 HA GLU A 9 65.581 -19.567 -0.999 1.00 1.00 H new ATOM 0 HB2 GLU A 9 63.625 -20.567 0.299 1.00 1.00 H new ATOM 0 HB3 GLU A 9 65.159 -20.592 1.146 1.00 1.00 H new ATOM 0 HG2 GLU A 9 64.558 -18.672 2.503 1.00 1.00 H new ATOM 0 HG3 GLU A 9 63.189 -18.284 1.480 1.00 1.00 H new ATOM 140 N CYS A 10 64.182 -17.315 -1.858 1.00 1.00 N ATOM 141 CA CYS A 10 63.133 -16.579 -2.620 1.00 1.00 C ATOM 142 C CYS A 10 63.662 -16.247 -4.018 1.00 1.00 C ATOM 143 O CYS A 10 64.841 -16.027 -4.210 1.00 1.00 O ATOM 144 CB CYS A 10 62.782 -15.283 -1.878 1.00 1.00 C ATOM 145 SG CYS A 10 60.999 -15.227 -1.570 1.00 1.00 S ATOM 0 H CYS A 10 65.138 -17.001 -2.026 1.00 1.00 H new ATOM 0 HA CYS A 10 62.240 -17.197 -2.709 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.326 -15.233 -0.935 1.00 1.00 H new ATOM 0 HB3 CYS A 10 63.087 -14.419 -2.469 1.00 1.00 H new ATOM 150 N ARG A 11 62.799 -16.212 -4.996 1.00 1.00 N ATOM 151 CA ARG A 11 63.254 -15.898 -6.380 1.00 1.00 C ATOM 152 C ARG A 11 63.408 -14.383 -6.537 1.00 1.00 C ATOM 153 O ARG A 11 62.902 -13.613 -5.745 1.00 1.00 O ATOM 154 CB ARG A 11 62.220 -16.410 -7.384 1.00 1.00 C ATOM 155 CG ARG A 11 62.062 -17.924 -7.227 1.00 1.00 C ATOM 156 CD ARG A 11 60.960 -18.422 -8.165 1.00 1.00 C ATOM 157 NE ARG A 11 60.890 -19.909 -8.102 1.00 1.00 N ATOM 158 CZ ARG A 11 60.317 -20.493 -7.085 1.00 1.00 C ATOM 159 NH1 ARG A 11 59.806 -19.774 -6.123 1.00 1.00 N ATOM 160 NH2 ARG A 11 60.255 -21.795 -7.030 1.00 1.00 N ATOM 0 H ARG A 11 61.799 -16.387 -4.897 1.00 1.00 H new ATOM 0 HA ARG A 11 64.213 -16.382 -6.565 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.263 -15.915 -7.221 1.00 1.00 H new ATOM 0 HB3 ARG A 11 62.534 -16.170 -8.400 1.00 1.00 H new ATOM 0 HG2 ARG A 11 63.003 -18.424 -7.456 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.814 -18.169 -6.194 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.001 -17.990 -7.879 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.163 -18.100 -9.186 1.00 1.00 H new ATOM 0 HE ARG A 11 61.290 -20.471 -8.854 1.00 1.00 H new ATOM 0 HH11 ARG A 11 59.854 -18.756 -6.166 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.358 -20.230 -5.328 1.00 1.00 H new ATOM 0 HH21 ARG A 11 60.654 -22.357 -7.782 1.00 1.00 H new ATOM 0 HH22 ARG A 11 59.807 -22.251 -6.235 1.00 1.00 H new ATOM 174 N SER A 12 64.103 -13.953 -7.558 1.00 1.00 N ATOM 175 CA SER A 12 64.295 -12.489 -7.779 1.00 1.00 C ATOM 176 C SER A 12 64.016 -12.161 -9.247 1.00 1.00 C ATOM 177 O SER A 12 63.111 -11.415 -9.564 1.00 1.00 O ATOM 178 CB SER A 12 65.735 -12.107 -7.436 1.00 1.00 C ATOM 179 OG SER A 12 66.055 -12.598 -6.142 1.00 1.00 O ATOM 0 H SER A 12 64.547 -14.555 -8.251 1.00 1.00 H new ATOM 0 HA SER A 12 63.610 -11.929 -7.142 1.00 1.00 H new ATOM 0 HB2 SER A 12 66.420 -12.523 -8.175 1.00 1.00 H new ATOM 0 HB3 SER A 12 65.853 -11.024 -7.466 1.00 1.00 H new ATOM 0 HG SER A 12 66.978 -12.356 -5.919 1.00 1.00 H new ATOM 185 N ALA A 13 64.786 -12.717 -10.144 1.00 1.00 N ATOM 186 CA ALA A 13 64.568 -12.446 -11.594 1.00 1.00 C ATOM 187 C ALA A 13 64.544 -10.936 -11.843 1.00 1.00 C ATOM 188 O ALA A 13 63.592 -10.256 -11.517 1.00 1.00 O ATOM 189 CB ALA A 13 63.235 -13.057 -12.033 1.00 1.00 C ATOM 0 H ALA A 13 65.559 -13.349 -9.934 1.00 1.00 H new ATOM 0 HA ALA A 13 65.381 -12.891 -12.168 1.00 1.00 H new ATOM 0 HB1 ALA A 13 63.075 -12.859 -13.093 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.255 -14.134 -11.864 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.424 -12.614 -11.455 1.00 1.00 H new ATOM 195 N THR A 14 65.586 -10.405 -12.425 1.00 1.00 N ATOM 196 CA THR A 14 65.622 -8.940 -12.699 1.00 1.00 C ATOM 197 C THR A 14 66.581 -8.661 -13.859 1.00 1.00 C ATOM 198 O THR A 14 67.781 -8.788 -13.727 1.00 1.00 O ATOM 199 CB THR A 14 66.106 -8.199 -11.450 1.00 1.00 C ATOM 200 OG1 THR A 14 65.367 -8.644 -10.322 1.00 1.00 O ATOM 201 CG2 THR A 14 65.902 -6.694 -11.636 1.00 1.00 C ATOM 0 H THR A 14 66.413 -10.923 -12.722 1.00 1.00 H new ATOM 0 HA THR A 14 64.622 -8.596 -12.962 1.00 1.00 H new ATOM 0 HB THR A 14 67.165 -8.402 -11.294 1.00 1.00 H new ATOM 0 HG1 THR A 14 64.472 -8.924 -10.607 1.00 1.00 H new ATOM 0 HG21 THR A 14 66.247 -6.167 -10.746 1.00 1.00 H new ATOM 0 HG22 THR A 14 66.470 -6.354 -12.502 1.00 1.00 H new ATOM 0 HG23 THR A 14 64.843 -6.487 -11.793 1.00 1.00 H new ATOM 209 N ARG A 15 66.061 -8.285 -14.997 1.00 1.00 N ATOM 210 CA ARG A 15 66.945 -8.000 -16.163 1.00 1.00 C ATOM 211 C ARG A 15 67.796 -6.761 -15.869 1.00 1.00 C ATOM 212 O ARG A 15 67.670 -5.743 -16.519 1.00 1.00 O ATOM 213 CB ARG A 15 66.082 -7.748 -17.404 1.00 1.00 C ATOM 214 CG ARG A 15 66.971 -7.706 -18.648 1.00 1.00 C ATOM 215 CD ARG A 15 67.675 -9.053 -18.819 1.00 1.00 C ATOM 216 NE ARG A 15 66.855 -10.126 -18.189 1.00 1.00 N ATOM 217 CZ ARG A 15 65.883 -10.682 -18.859 1.00 1.00 C ATOM 218 NH1 ARG A 15 65.630 -10.300 -20.080 1.00 1.00 N ATOM 219 NH2 ARG A 15 65.165 -11.622 -18.307 1.00 1.00 N ATOM 0 H ARG A 15 65.063 -8.163 -15.169 1.00 1.00 H new ATOM 0 HA ARG A 15 67.600 -8.853 -16.342 1.00 1.00 H new ATOM 0 HB2 ARG A 15 65.335 -8.535 -17.505 1.00 1.00 H new ATOM 0 HB3 ARG A 15 65.542 -6.807 -17.299 1.00 1.00 H new ATOM 0 HG2 ARG A 15 66.370 -7.483 -19.530 1.00 1.00 H new ATOM 0 HG3 ARG A 15 67.708 -6.908 -18.555 1.00 1.00 H new ATOM 0 HD2 ARG A 15 67.822 -9.267 -19.878 1.00 1.00 H new ATOM 0 HD3 ARG A 15 68.663 -9.020 -18.361 1.00 1.00 H new ATOM 0 HE ARG A 15 67.053 -10.426 -17.234 1.00 1.00 H new ATOM 0 HH11 ARG A 15 66.192 -9.566 -20.512 1.00 1.00 H new ATOM 0 HH12 ARG A 15 64.870 -10.735 -20.603 1.00 1.00 H new ATOM 0 HH21 ARG A 15 65.364 -11.922 -17.352 1.00 1.00 H new ATOM 0 HH22 ARG A 15 64.405 -12.057 -18.830 1.00 1.00 H new ATOM 233 N VAL A 16 68.664 -6.847 -14.894 1.00 1.00 N ATOM 234 CA VAL A 16 69.539 -5.688 -14.537 1.00 1.00 C ATOM 235 C VAL A 16 68.750 -4.376 -14.626 1.00 1.00 C ATOM 236 O VAL A 16 69.318 -3.308 -14.735 1.00 1.00 O ATOM 237 CB VAL A 16 70.749 -5.636 -15.481 1.00 1.00 C ATOM 238 CG1 VAL A 16 71.496 -6.970 -15.429 1.00 1.00 C ATOM 239 CG2 VAL A 16 70.268 -5.378 -16.911 1.00 1.00 C ATOM 0 H VAL A 16 68.806 -7.680 -14.323 1.00 1.00 H new ATOM 0 HA VAL A 16 69.889 -5.817 -13.513 1.00 1.00 H new ATOM 0 HB VAL A 16 71.417 -4.833 -15.170 1.00 1.00 H new ATOM 0 HG11 VAL A 16 72.355 -6.933 -16.099 1.00 1.00 H new ATOM 0 HG12 VAL A 16 71.838 -7.156 -14.411 1.00 1.00 H new ATOM 0 HG13 VAL A 16 70.828 -7.773 -15.740 1.00 1.00 H new ATOM 0 HG21 VAL A 16 71.126 -5.341 -17.582 1.00 1.00 H new ATOM 0 HG22 VAL A 16 69.600 -6.181 -17.221 1.00 1.00 H new ATOM 0 HG23 VAL A 16 69.735 -4.428 -16.950 1.00 1.00 H new ATOM 249 N MET A 17 67.448 -4.448 -14.575 1.00 1.00 N ATOM 250 CA MET A 17 66.622 -3.207 -14.652 1.00 1.00 C ATOM 251 C MET A 17 65.141 -3.595 -14.717 1.00 1.00 C ATOM 252 O MET A 17 64.797 -4.760 -14.737 1.00 1.00 O ATOM 253 CB MET A 17 67.004 -2.403 -15.909 1.00 1.00 C ATOM 254 CG MET A 17 67.542 -1.032 -15.494 1.00 1.00 C ATOM 255 SD MET A 17 66.253 -0.120 -14.610 1.00 1.00 S ATOM 256 CE MET A 17 66.163 1.294 -15.736 1.00 1.00 C ATOM 0 H MET A 17 66.918 -5.315 -14.483 1.00 1.00 H new ATOM 0 HA MET A 17 66.802 -2.592 -13.770 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.757 -2.942 -16.484 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.135 -2.284 -16.556 1.00 1.00 H new ATOM 0 HG2 MET A 17 68.419 -1.151 -14.858 1.00 1.00 H new ATOM 0 HG3 MET A 17 67.860 -0.473 -16.374 1.00 1.00 H new ATOM 0 HE1 MET A 17 65.414 1.999 -15.376 1.00 1.00 H new ATOM 0 HE2 MET A 17 67.134 1.787 -15.779 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.887 0.949 -16.732 1.00 1.00 H new ATOM 266 N GLY A 18 64.263 -2.630 -14.749 1.00 1.00 N ATOM 267 CA GLY A 18 62.809 -2.950 -14.813 1.00 1.00 C ATOM 268 C GLY A 18 62.037 -1.741 -15.344 1.00 1.00 C ATOM 269 O GLY A 18 62.399 -0.606 -15.103 1.00 1.00 O ATOM 0 H GLY A 18 64.489 -1.636 -14.734 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.645 -3.811 -15.460 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.443 -3.221 -13.823 1.00 1.00 H new ATOM 273 N GLY A 19 60.973 -1.975 -16.064 1.00 1.00 N ATOM 274 CA GLY A 19 60.175 -0.840 -16.610 1.00 1.00 C ATOM 275 C GLY A 19 59.372 -0.191 -15.481 1.00 1.00 C ATOM 276 O GLY A 19 59.348 1.016 -15.343 1.00 1.00 O ATOM 0 H GLY A 19 60.622 -2.904 -16.298 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.836 -0.105 -17.070 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.503 -1.196 -17.390 1.00 1.00 H new ATOM 280 N PRO A 20 58.717 -0.991 -14.681 1.00 1.00 N ATOM 281 CA PRO A 20 57.894 -0.499 -13.535 1.00 1.00 C ATOM 282 C PRO A 20 58.744 0.228 -12.486 1.00 1.00 C ATOM 283 O PRO A 20 58.591 0.023 -11.298 1.00 1.00 O ATOM 284 CB PRO A 20 57.274 -1.776 -12.939 1.00 1.00 C ATOM 285 CG PRO A 20 57.446 -2.838 -13.975 1.00 1.00 C ATOM 286 CD PRO A 20 58.684 -2.456 -14.785 1.00 1.00 C ATOM 0 HA PRO A 20 57.148 0.228 -13.858 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.770 -2.054 -12.009 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.220 -1.626 -12.705 1.00 1.00 H new ATOM 0 HG2 PRO A 20 57.572 -3.816 -13.511 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.567 -2.901 -14.616 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.587 -2.909 -14.376 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.604 -2.784 -15.821 1.00 1.00 H new ATOM 294 N CYS A 21 59.641 1.073 -12.920 1.00 1.00 N ATOM 295 CA CYS A 21 60.507 1.815 -11.960 1.00 1.00 C ATOM 296 C CYS A 21 60.603 3.280 -12.394 1.00 1.00 C ATOM 297 O CYS A 21 60.942 3.582 -13.521 1.00 1.00 O ATOM 298 CB CYS A 21 61.907 1.189 -11.952 1.00 1.00 C ATOM 299 SG CYS A 21 62.180 0.341 -10.376 1.00 1.00 S ATOM 0 H CYS A 21 59.811 1.282 -13.904 1.00 1.00 H new ATOM 0 HA CYS A 21 60.079 1.760 -10.959 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.007 0.485 -12.778 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.663 1.961 -12.098 1.00 1.00 H new ATOM 304 N THR A 22 60.307 4.194 -11.511 1.00 1.00 N ATOM 305 CA THR A 22 60.382 5.636 -11.878 1.00 1.00 C ATOM 306 C THR A 22 61.811 6.146 -11.649 1.00 1.00 C ATOM 307 O THR A 22 62.429 5.830 -10.651 1.00 1.00 O ATOM 308 CB THR A 22 59.415 6.434 -11.001 1.00 1.00 C ATOM 309 OG1 THR A 22 59.644 6.115 -9.636 1.00 1.00 O ATOM 310 CG2 THR A 22 57.974 6.082 -11.375 1.00 1.00 C ATOM 0 H THR A 22 60.017 4.004 -10.552 1.00 1.00 H new ATOM 0 HA THR A 22 60.112 5.759 -12.927 1.00 1.00 H new ATOM 0 HB THR A 22 59.577 7.500 -11.158 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.027 6.627 -9.072 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.286 6.651 -10.749 1.00 1.00 H new ATOM 0 HG22 THR A 22 57.800 6.328 -12.423 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.808 5.016 -11.220 1.00 1.00 H new ATOM 318 N PRO A 23 62.335 6.935 -12.556 1.00 1.00 N ATOM 319 CA PRO A 23 63.712 7.493 -12.427 1.00 1.00 C ATOM 320 C PRO A 23 63.771 8.627 -11.398 1.00 1.00 C ATOM 321 O PRO A 23 62.850 9.410 -11.283 1.00 1.00 O ATOM 322 CB PRO A 23 64.020 8.019 -13.832 1.00 1.00 C ATOM 323 CG PRO A 23 62.687 8.353 -14.418 1.00 1.00 C ATOM 324 CD PRO A 23 61.679 7.382 -13.796 1.00 1.00 C ATOM 0 HA PRO A 23 64.429 6.749 -12.079 1.00 1.00 H new ATOM 0 HB2 PRO A 23 64.665 8.897 -13.793 1.00 1.00 H new ATOM 0 HB3 PRO A 23 64.538 7.269 -14.430 1.00 1.00 H new ATOM 0 HG2 PRO A 23 62.416 9.386 -14.199 1.00 1.00 H new ATOM 0 HG3 PRO A 23 62.704 8.251 -15.503 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.727 7.872 -13.590 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.469 6.544 -14.461 1.00 1.00 H new ATOM 332 N ARG A 24 64.847 8.708 -10.651 1.00 1.00 N ATOM 333 CA ARG A 24 64.993 9.781 -9.611 1.00 1.00 C ATOM 334 C ARG A 24 63.920 10.863 -9.798 1.00 1.00 C ATOM 335 O ARG A 24 64.143 11.874 -10.434 1.00 1.00 O ATOM 336 CB ARG A 24 66.395 10.416 -9.708 1.00 1.00 C ATOM 337 CG ARG A 24 67.040 10.036 -11.042 1.00 1.00 C ATOM 338 CD ARG A 24 66.293 10.724 -12.186 1.00 1.00 C ATOM 339 NE ARG A 24 66.682 10.100 -13.481 1.00 1.00 N ATOM 340 CZ ARG A 24 66.438 10.719 -14.604 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.853 11.885 -14.592 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.780 10.172 -15.738 1.00 1.00 N ATOM 0 H ARG A 24 65.640 8.070 -10.717 1.00 1.00 H new ATOM 0 HA ARG A 24 64.866 9.330 -8.627 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.321 11.500 -9.624 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.018 10.075 -8.881 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.089 10.333 -11.048 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.014 8.955 -11.175 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.217 10.636 -12.037 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.527 11.789 -12.199 1.00 1.00 H new ATOM 0 HE ARG A 24 67.139 9.188 -13.490 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.586 12.313 -13.705 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.662 12.369 -15.469 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.238 9.261 -15.747 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.589 10.656 -16.616 1.00 1.00 H new ATOM 356 N LYS A 25 62.756 10.649 -9.247 1.00 1.00 N ATOM 357 CA LYS A 25 61.663 11.652 -9.391 1.00 1.00 C ATOM 358 C LYS A 25 61.959 12.864 -8.502 1.00 1.00 C ATOM 359 O LYS A 25 61.625 13.985 -8.833 1.00 1.00 O ATOM 360 CB LYS A 25 60.332 11.013 -8.967 1.00 1.00 C ATOM 361 CG LYS A 25 59.191 11.597 -9.803 1.00 1.00 C ATOM 362 CD LYS A 25 59.096 10.847 -11.133 1.00 1.00 C ATOM 363 CE LYS A 25 57.793 11.225 -11.840 1.00 1.00 C ATOM 364 NZ LYS A 25 57.602 12.701 -11.775 1.00 1.00 N ATOM 0 H LYS A 25 62.515 9.821 -8.702 1.00 1.00 H new ATOM 0 HA LYS A 25 61.598 11.977 -10.430 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.377 9.932 -9.101 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.151 11.196 -7.908 1.00 1.00 H new ATOM 0 HG2 LYS A 25 58.250 11.516 -9.260 1.00 1.00 H new ATOM 0 HG3 LYS A 25 59.364 12.658 -9.983 1.00 1.00 H new ATOM 0 HD2 LYS A 25 59.950 11.095 -11.764 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.129 9.771 -10.959 1.00 1.00 H new ATOM 0 HE2 LYS A 25 57.822 10.897 -12.879 1.00 1.00 H new ATOM 0 HE3 LYS A 25 56.951 10.718 -11.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 56.921 12.995 -12.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 57.240 12.963 -10.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 58.512 13.176 -11.940 1.00 1.00 H new ATOM 378 N GLY A 26 62.582 12.649 -7.376 1.00 1.00 N ATOM 379 CA GLY A 26 62.896 13.789 -6.468 1.00 1.00 C ATOM 380 C GLY A 26 63.979 14.665 -7.099 1.00 1.00 C ATOM 381 O GLY A 26 64.361 14.472 -8.237 1.00 1.00 O ATOM 0 H GLY A 26 62.887 11.734 -7.045 1.00 1.00 H new ATOM 0 HA2 GLY A 26 61.998 14.379 -6.285 1.00 1.00 H new ATOM 0 HA3 GLY A 26 63.234 13.415 -5.502 1.00 1.00 H new ATOM 385 N PRO A 27 64.470 15.623 -6.360 1.00 1.00 N ATOM 386 CA PRO A 27 65.531 16.554 -6.844 1.00 1.00 C ATOM 387 C PRO A 27 66.721 15.797 -7.448 1.00 1.00 C ATOM 388 O PRO A 27 66.904 14.622 -7.197 1.00 1.00 O ATOM 389 CB PRO A 27 65.957 17.312 -5.580 1.00 1.00 C ATOM 390 CG PRO A 27 64.789 17.229 -4.654 1.00 1.00 C ATOM 391 CD PRO A 27 64.063 15.923 -4.978 1.00 1.00 C ATOM 0 HA PRO A 27 65.171 17.209 -7.637 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.845 16.864 -5.134 1.00 1.00 H new ATOM 0 HB3 PRO A 27 66.204 18.349 -5.808 1.00 1.00 H new ATOM 0 HG2 PRO A 27 65.117 17.242 -3.615 1.00 1.00 H new ATOM 0 HG3 PRO A 27 64.126 18.084 -4.789 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.353 15.125 -4.294 1.00 1.00 H new ATOM 0 HD3 PRO A 27 62.982 16.036 -4.896 1.00 1.00 H new ATOM 399 N PRO A 28 67.528 16.462 -8.236 1.00 1.00 N ATOM 400 CA PRO A 28 68.716 15.834 -8.875 1.00 1.00 C ATOM 401 C PRO A 28 69.461 14.906 -7.909 1.00 1.00 C ATOM 402 O PRO A 28 69.757 15.272 -6.789 1.00 1.00 O ATOM 403 CB PRO A 28 69.586 17.031 -9.259 1.00 1.00 C ATOM 404 CG PRO A 28 68.626 18.153 -9.484 1.00 1.00 C ATOM 405 CD PRO A 28 67.401 17.882 -8.603 1.00 1.00 C ATOM 0 HA PRO A 28 68.447 15.205 -9.723 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.296 17.272 -8.468 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.168 16.824 -10.157 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.083 19.108 -9.225 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.340 18.210 -10.534 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.395 18.522 -7.721 1.00 1.00 H new ATOM 0 HD3 PRO A 28 66.473 18.073 -9.142 1.00 1.00 H new ATOM 413 N LYS A 29 69.759 13.707 -8.329 1.00 1.00 N ATOM 414 CA LYS A 29 70.475 12.763 -7.426 1.00 1.00 C ATOM 415 C LYS A 29 71.678 13.472 -6.795 1.00 1.00 C ATOM 416 O LYS A 29 71.686 13.767 -5.616 1.00 1.00 O ATOM 417 CB LYS A 29 70.949 11.542 -8.227 1.00 1.00 C ATOM 418 CG LYS A 29 69.966 11.262 -9.365 1.00 1.00 C ATOM 419 CD LYS A 29 70.426 11.992 -10.629 1.00 1.00 C ATOM 420 CE LYS A 29 71.439 11.126 -11.379 1.00 1.00 C ATOM 421 NZ LYS A 29 70.727 10.011 -12.066 1.00 1.00 N ATOM 0 H LYS A 29 69.538 13.341 -9.255 1.00 1.00 H new ATOM 0 HA LYS A 29 69.800 12.431 -6.637 1.00 1.00 H new ATOM 0 HB2 LYS A 29 71.945 11.723 -8.630 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.023 10.672 -7.574 1.00 1.00 H new ATOM 0 HG2 LYS A 29 69.907 10.190 -9.553 1.00 1.00 H new ATOM 0 HG3 LYS A 29 68.966 11.592 -9.085 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.570 12.206 -11.269 1.00 1.00 H new ATOM 0 HD3 LYS A 29 70.875 12.950 -10.366 1.00 1.00 H new ATOM 0 HE2 LYS A 29 71.981 11.729 -12.107 1.00 1.00 H new ATOM 0 HE3 LYS A 29 72.177 10.727 -10.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 71.305 9.667 -12.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.566 9.235 -11.393 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 69.813 10.352 -12.426 1.00 1.00 H new ATOM 435 N CYS A 30 72.691 13.755 -7.568 1.00 1.00 N ATOM 436 CA CYS A 30 73.885 14.451 -7.011 1.00 1.00 C ATOM 437 C CYS A 30 74.818 14.852 -8.155 1.00 1.00 C ATOM 438 O CYS A 30 75.726 15.640 -7.982 1.00 1.00 O ATOM 439 CB CYS A 30 74.620 13.517 -6.044 1.00 1.00 C ATOM 440 SG CYS A 30 75.268 12.092 -6.953 1.00 1.00 S ATOM 0 H CYS A 30 72.743 13.534 -8.562 1.00 1.00 H new ATOM 0 HA CYS A 30 73.569 15.345 -6.473 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.435 14.051 -5.555 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.942 13.183 -5.259 1.00 1.00 H new ATOM 445 N LYS A 31 74.586 14.324 -9.328 1.00 1.00 N ATOM 446 CA LYS A 31 75.440 14.676 -10.501 1.00 1.00 C ATOM 447 C LYS A 31 76.917 14.708 -10.092 1.00 1.00 C ATOM 448 O LYS A 31 77.418 15.708 -9.617 1.00 1.00 O ATOM 449 CB LYS A 31 75.021 16.054 -11.031 1.00 1.00 C ATOM 450 CG LYS A 31 75.332 16.147 -12.526 1.00 1.00 C ATOM 451 CD LYS A 31 74.180 15.536 -13.326 1.00 1.00 C ATOM 452 CE LYS A 31 74.347 15.882 -14.807 1.00 1.00 C ATOM 453 NZ LYS A 31 73.822 17.254 -15.059 1.00 1.00 N ATOM 0 H LYS A 31 73.837 13.660 -9.525 1.00 1.00 H new ATOM 0 HA LYS A 31 75.310 13.924 -11.279 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.956 16.212 -10.861 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.550 16.839 -10.490 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.477 17.188 -12.814 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.261 15.623 -12.748 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.165 14.454 -13.194 1.00 1.00 H new ATOM 0 HD3 LYS A 31 73.227 15.915 -12.958 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.399 15.826 -15.088 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.814 15.158 -15.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.904 17.477 -16.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 72.823 17.301 -14.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.372 17.943 -14.507 1.00 1.00 H new ATOM 467 N GLN A 32 77.620 13.624 -10.281 1.00 1.00 N ATOM 468 CA GLN A 32 79.065 13.600 -9.912 1.00 1.00 C ATOM 469 C GLN A 32 79.700 12.307 -10.422 1.00 1.00 C ATOM 470 O GLN A 32 80.874 12.265 -10.722 1.00 1.00 O ATOM 471 CB GLN A 32 79.211 13.679 -8.389 1.00 1.00 C ATOM 472 CG GLN A 32 78.651 12.405 -7.753 1.00 1.00 C ATOM 473 CD GLN A 32 78.610 12.568 -6.233 1.00 1.00 C ATOM 474 OE1 GLN A 32 78.642 11.596 -5.505 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.541 13.766 -5.719 1.00 1.00 N ATOM 0 H GLN A 32 77.257 12.756 -10.674 1.00 1.00 H new ATOM 0 HA GLN A 32 79.568 14.454 -10.365 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.260 13.801 -8.120 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.681 14.551 -8.007 1.00 1.00 H new ATOM 0 HG2 GLN A 32 77.650 12.205 -8.135 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.271 11.549 -8.021 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.514 14.582 -6.330 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.514 13.886 -4.706 1.00 1.00 H new ATOM 484 N ARG A 33 78.920 11.261 -10.518 1.00 1.00 N ATOM 485 CA ARG A 33 79.432 9.938 -11.004 1.00 1.00 C ATOM 486 C ARG A 33 80.927 9.772 -10.693 1.00 1.00 C ATOM 487 O ARG A 33 81.770 10.473 -11.213 1.00 1.00 O ATOM 488 CB ARG A 33 79.184 9.808 -12.515 1.00 1.00 C ATOM 489 CG ARG A 33 80.211 10.643 -13.282 1.00 1.00 C ATOM 490 CD ARG A 33 79.765 10.792 -14.737 1.00 1.00 C ATOM 491 NE ARG A 33 80.777 11.587 -15.488 1.00 1.00 N ATOM 492 CZ ARG A 33 80.835 12.881 -15.335 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.007 13.480 -14.523 1.00 1.00 N ATOM 494 NH2 ARG A 33 81.722 13.577 -15.993 1.00 1.00 N ATOM 0 H ARG A 33 77.929 11.266 -10.276 1.00 1.00 H new ATOM 0 HA ARG A 33 78.893 9.148 -10.481 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.254 8.763 -12.816 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.175 10.143 -12.757 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.315 11.625 -12.820 1.00 1.00 H new ATOM 0 HG3 ARG A 33 81.190 10.165 -13.238 1.00 1.00 H new ATOM 0 HD2 ARG A 33 79.646 9.810 -15.194 1.00 1.00 H new ATOM 0 HD3 ARG A 33 78.794 11.284 -14.782 1.00 1.00 H new ATOM 0 HE ARG A 33 81.425 11.119 -16.122 1.00 1.00 H new ATOM 0 HH11 ARG A 33 79.315 12.936 -14.008 1.00 1.00 H new ATOM 0 HH12 ARG A 33 80.052 14.492 -14.403 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.370 13.109 -16.627 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.767 14.589 -15.873 1.00 1.00 H new ATOM 508 N GLN A 34 81.256 8.836 -9.844 1.00 1.00 N ATOM 509 CA GLN A 34 82.687 8.607 -9.492 1.00 1.00 C ATOM 510 C GLN A 34 83.305 9.906 -8.970 1.00 1.00 C ATOM 511 O GLN A 34 83.828 10.703 -9.723 1.00 1.00 O ATOM 512 CB GLN A 34 83.453 8.133 -10.731 1.00 1.00 C ATOM 513 CG GLN A 34 83.122 6.665 -11.007 1.00 1.00 C ATOM 514 CD GLN A 34 83.883 5.776 -10.022 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.573 6.328 -9.062 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 83.850 4.566 -10.127 1.00 1.00 N flip ATOM 0 H GLN A 34 80.592 8.218 -9.377 1.00 1.00 H new ATOM 0 HA GLN A 34 82.748 7.843 -8.717 1.00 1.00 H new ATOM 0 HB2 GLN A 34 83.186 8.745 -11.593 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.525 8.252 -10.576 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.049 6.499 -10.909 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.393 6.406 -12.031 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.311 4.134 -10.877 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.361 3.983 -9.465 1.00 1.00 H new ATOM 525 N THR A 35 83.256 10.118 -7.682 1.00 1.00 N ATOM 526 CA THR A 35 83.848 11.358 -7.106 1.00 1.00 C ATOM 527 C THR A 35 85.368 11.201 -7.036 1.00 1.00 C ATOM 528 O THR A 35 86.043 11.156 -8.045 1.00 1.00 O ATOM 529 CB THR A 35 83.290 11.584 -5.697 1.00 1.00 C ATOM 530 OG1 THR A 35 83.653 10.491 -4.865 1.00 1.00 O ATOM 531 CG2 THR A 35 81.766 11.695 -5.761 1.00 1.00 C ATOM 0 H THR A 35 82.831 9.485 -7.004 1.00 1.00 H new ATOM 0 HA THR A 35 83.596 12.213 -7.734 1.00 1.00 H new ATOM 0 HB THR A 35 83.702 12.506 -5.287 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.298 10.635 -3.963 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.370 11.856 -4.758 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.489 12.534 -6.399 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.351 10.774 -6.171 1.00 1.00 H new ATOM 539 N ARG A 36 85.914 11.108 -5.853 1.00 1.00 N ATOM 540 CA ARG A 36 87.389 10.942 -5.728 1.00 1.00 C ATOM 541 C ARG A 36 87.805 9.649 -6.429 1.00 1.00 C ATOM 542 O ARG A 36 88.432 9.665 -7.470 1.00 1.00 O ATOM 543 CB ARG A 36 87.772 10.872 -4.244 1.00 1.00 C ATOM 544 CG ARG A 36 88.004 12.286 -3.709 1.00 1.00 C ATOM 545 CD ARG A 36 86.715 13.101 -3.842 1.00 1.00 C ATOM 546 NE ARG A 36 86.903 14.435 -3.206 1.00 1.00 N ATOM 547 CZ ARG A 36 86.972 14.536 -1.907 1.00 1.00 C ATOM 548 NH1 ARG A 36 86.875 13.467 -1.164 1.00 1.00 N ATOM 549 NH2 ARG A 36 87.137 15.705 -1.351 1.00 1.00 N ATOM 0 H ARG A 36 85.403 11.140 -4.971 1.00 1.00 H new ATOM 0 HA ARG A 36 87.897 11.789 -6.189 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.981 10.382 -3.676 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.673 10.272 -4.118 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.314 12.245 -2.665 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.810 12.768 -4.262 1.00 1.00 H new ATOM 0 HD2 ARG A 36 86.455 13.221 -4.894 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.888 12.573 -3.367 1.00 1.00 H new ATOM 0 HE ARG A 36 86.978 15.270 -3.787 1.00 1.00 H new ATOM 0 HH11 ARG A 36 86.745 12.554 -1.599 1.00 1.00 H new ATOM 0 HH12 ARG A 36 86.929 13.545 -0.148 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.212 16.540 -1.932 1.00 1.00 H new ATOM 0 HH22 ARG A 36 87.191 15.784 -0.335 1.00 1.00 H new ATOM 563 N GLN A 37 87.452 8.530 -5.866 1.00 1.00 N ATOM 564 CA GLN A 37 87.815 7.228 -6.493 1.00 1.00 C ATOM 565 C GLN A 37 86.953 6.115 -5.888 1.00 1.00 C ATOM 566 O GLN A 37 86.297 5.375 -6.593 1.00 1.00 O ATOM 567 CB GLN A 37 89.300 6.928 -6.242 1.00 1.00 C ATOM 568 CG GLN A 37 89.747 7.605 -4.945 1.00 1.00 C ATOM 569 CD GLN A 37 91.007 6.917 -4.417 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.998 6.346 -3.345 1.00 1.00 O ATOM 571 NE2 GLN A 37 92.100 6.949 -5.130 1.00 1.00 N ATOM 0 H GLN A 37 86.926 8.459 -4.995 1.00 1.00 H new ATOM 0 HA GLN A 37 87.639 7.281 -7.567 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.458 5.852 -6.176 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.901 7.287 -7.078 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.945 8.662 -5.124 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.952 7.551 -4.201 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.108 7.428 -6.030 1.00 1.00 H new ATOM 0 HE22 GLN A 37 92.946 6.495 -4.787 1.00 1.00 H new ATOM 580 N CYS A 38 86.949 5.992 -4.587 1.00 1.00 N ATOM 581 CA CYS A 38 86.131 4.928 -3.938 1.00 1.00 C ATOM 582 C CYS A 38 86.323 3.608 -4.688 1.00 1.00 C ATOM 583 O CYS A 38 85.392 2.851 -4.879 1.00 1.00 O ATOM 584 CB CYS A 38 84.654 5.326 -3.974 1.00 1.00 C ATOM 585 SG CYS A 38 83.713 4.252 -2.862 1.00 1.00 S ATOM 0 H CYS A 38 87.478 6.583 -3.946 1.00 1.00 H new ATOM 0 HA CYS A 38 86.449 4.807 -2.902 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.540 6.368 -3.674 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.268 5.243 -4.990 1.00 1.00 H new ATOM 590 N LYS A 39 87.523 3.330 -5.118 1.00 1.00 N ATOM 591 CA LYS A 39 87.776 2.062 -5.858 1.00 1.00 C ATOM 592 C LYS A 39 87.127 0.894 -5.109 1.00 1.00 C ATOM 593 O LYS A 39 86.158 0.316 -5.561 1.00 1.00 O ATOM 594 CB LYS A 39 89.290 1.833 -5.969 1.00 1.00 C ATOM 595 CG LYS A 39 89.604 1.102 -7.276 1.00 1.00 C ATOM 596 CD LYS A 39 89.742 2.119 -8.410 1.00 1.00 C ATOM 597 CE LYS A 39 89.618 1.403 -9.756 1.00 1.00 C ATOM 598 NZ LYS A 39 90.135 2.287 -10.839 1.00 1.00 N ATOM 0 H LYS A 39 88.340 3.927 -4.989 1.00 1.00 H new ATOM 0 HA LYS A 39 87.346 2.128 -6.858 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.816 2.787 -5.939 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.643 1.248 -5.120 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.526 0.530 -7.172 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.811 0.390 -7.506 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.972 2.885 -8.321 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.705 2.626 -8.343 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.179 0.469 -9.736 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.576 1.145 -9.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.051 1.800 -11.754 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.581 3.167 -10.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.134 2.511 -10.657 1.00 1.00 H new ATOM 612 N SER A 40 87.653 0.541 -3.968 1.00 1.00 N ATOM 613 CA SER A 40 87.064 -0.588 -3.195 1.00 1.00 C ATOM 614 C SER A 40 87.781 -0.717 -1.849 1.00 1.00 C ATOM 615 O SER A 40 87.160 -0.880 -0.818 1.00 1.00 O ATOM 616 CB SER A 40 87.226 -1.887 -3.986 1.00 1.00 C ATOM 617 OG SER A 40 88.544 -1.955 -4.512 1.00 1.00 O ATOM 0 H SER A 40 88.464 0.985 -3.538 1.00 1.00 H new ATOM 0 HA SER A 40 86.005 -0.396 -3.024 1.00 1.00 H new ATOM 0 HB2 SER A 40 87.035 -2.745 -3.342 1.00 1.00 H new ATOM 0 HB3 SER A 40 86.497 -1.927 -4.795 1.00 1.00 H new ATOM 0 HG SER A 40 88.652 -2.787 -5.018 1.00 1.00 H new ATOM 623 N LYS A 41 89.085 -0.645 -1.850 1.00 1.00 N ATOM 624 CA LYS A 41 89.838 -0.765 -0.569 1.00 1.00 C ATOM 625 C LYS A 41 89.188 0.140 0.490 1.00 1.00 C ATOM 626 O LYS A 41 89.061 1.332 0.290 1.00 1.00 O ATOM 627 CB LYS A 41 91.289 -0.328 -0.792 1.00 1.00 C ATOM 628 CG LYS A 41 91.324 0.853 -1.764 1.00 1.00 C ATOM 629 CD LYS A 41 92.656 1.592 -1.621 1.00 1.00 C ATOM 630 CE LYS A 41 93.808 0.633 -1.928 1.00 1.00 C ATOM 631 NZ LYS A 41 93.519 -0.102 -3.191 1.00 1.00 N ATOM 0 H LYS A 41 89.660 -0.509 -2.681 1.00 1.00 H new ATOM 0 HA LYS A 41 89.817 -1.800 -0.227 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.744 -0.045 0.157 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.873 -1.158 -1.191 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.200 0.499 -2.788 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.496 1.531 -1.559 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.686 2.443 -2.301 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.758 1.988 -0.610 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.742 1.188 -2.023 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.938 -0.071 -1.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.411 -0.426 -3.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.916 -0.923 -2.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.028 0.530 -3.856 1.00 1.00 H new ATOM 645 N PRO A 42 88.777 -0.411 1.609 1.00 1.00 N ATOM 646 CA PRO A 42 88.134 0.381 2.697 1.00 1.00 C ATOM 647 C PRO A 42 89.161 1.174 3.517 1.00 1.00 C ATOM 648 O PRO A 42 90.337 0.870 3.510 1.00 1.00 O ATOM 649 CB PRO A 42 87.460 -0.685 3.563 1.00 1.00 C ATOM 650 CG PRO A 42 88.287 -1.914 3.372 1.00 1.00 C ATOM 651 CD PRO A 42 88.878 -1.837 1.960 1.00 1.00 C ATOM 0 HA PRO A 42 87.442 1.127 2.308 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.434 -0.385 4.611 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.428 -0.851 3.254 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.078 -1.967 4.120 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.679 -2.811 3.488 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.912 -2.180 1.941 1.00 1.00 H new ATOM 0 HD3 PRO A 42 88.322 -2.461 1.260 1.00 1.00 H new ATOM 659 N PRO A 43 88.715 2.182 4.221 1.00 1.00 N ATOM 660 CA PRO A 43 89.607 3.031 5.064 1.00 1.00 C ATOM 661 C PRO A 43 90.151 2.267 6.276 1.00 1.00 C ATOM 662 O PRO A 43 89.447 1.504 6.908 1.00 1.00 O ATOM 663 CB PRO A 43 88.702 4.186 5.511 1.00 1.00 C ATOM 664 CG PRO A 43 87.310 3.654 5.420 1.00 1.00 C ATOM 665 CD PRO A 43 87.312 2.620 4.293 1.00 1.00 C ATOM 0 HA PRO A 43 90.489 3.364 4.516 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.938 4.499 6.528 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.832 5.058 4.871 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.006 3.199 6.363 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.602 4.455 5.210 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.644 1.787 4.513 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.980 3.055 3.350 1.00 1.00 H new ATOM 673 N LYS A 44 91.398 2.466 6.602 1.00 1.00 N ATOM 674 CA LYS A 44 91.986 1.750 7.770 1.00 1.00 C ATOM 675 C LYS A 44 91.071 1.913 8.985 1.00 1.00 C ATOM 676 O LYS A 44 90.785 0.964 9.688 1.00 1.00 O ATOM 677 CB LYS A 44 93.365 2.335 8.087 1.00 1.00 C ATOM 678 CG LYS A 44 94.182 2.447 6.798 1.00 1.00 C ATOM 679 CD LYS A 44 94.204 1.093 6.087 1.00 1.00 C ATOM 680 CE LYS A 44 95.356 1.062 5.082 1.00 1.00 C ATOM 681 NZ LYS A 44 95.419 -0.281 4.440 1.00 1.00 N ATOM 0 H LYS A 44 92.035 3.093 6.111 1.00 1.00 H new ATOM 0 HA LYS A 44 92.086 0.691 7.532 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.258 3.317 8.548 1.00 1.00 H new ATOM 0 HB3 LYS A 44 93.884 1.700 8.805 1.00 1.00 H new ATOM 0 HG2 LYS A 44 93.749 3.205 6.145 1.00 1.00 H new ATOM 0 HG3 LYS A 44 95.199 2.766 7.026 1.00 1.00 H new ATOM 0 HD2 LYS A 44 94.321 0.290 6.815 1.00 1.00 H new ATOM 0 HD3 LYS A 44 93.257 0.924 5.575 1.00 1.00 H new ATOM 0 HE2 LYS A 44 95.213 1.833 4.325 1.00 1.00 H new ATOM 0 HE3 LYS A 44 96.298 1.281 5.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 96.202 -0.303 3.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 95.575 -1.007 5.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 94.524 -0.472 3.947 1.00 1.00 H new ATOM 695 N LYS A 45 90.610 3.107 9.240 1.00 1.00 N ATOM 696 CA LYS A 45 89.715 3.324 10.413 1.00 1.00 C ATOM 697 C LYS A 45 88.345 2.702 10.129 1.00 1.00 C ATOM 698 O LYS A 45 88.119 2.123 9.085 1.00 1.00 O ATOM 699 CB LYS A 45 89.557 4.830 10.664 1.00 1.00 C ATOM 700 CG LYS A 45 90.622 5.299 11.657 1.00 1.00 C ATOM 701 CD LYS A 45 90.154 5.006 13.084 1.00 1.00 C ATOM 702 CE LYS A 45 89.432 6.232 13.647 1.00 1.00 C ATOM 703 NZ LYS A 45 88.553 6.816 12.596 1.00 1.00 N ATOM 0 H LYS A 45 90.814 3.940 8.688 1.00 1.00 H new ATOM 0 HA LYS A 45 90.149 2.855 11.296 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.653 5.377 9.726 1.00 1.00 H new ATOM 0 HB3 LYS A 45 88.562 5.041 11.056 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.566 4.791 11.461 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.803 6.367 11.535 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.487 4.144 13.089 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.007 4.753 13.713 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.839 5.950 14.517 1.00 1.00 H new ATOM 0 HE3 LYS A 45 90.158 6.973 13.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 87.903 7.503 13.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 89.137 7.295 11.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 88.004 6.058 12.142 1.00 1.00 H new ATOM 717 N GLY A 46 87.430 2.816 11.053 1.00 1.00 N ATOM 718 CA GLY A 46 86.074 2.232 10.843 1.00 1.00 C ATOM 719 C GLY A 46 85.498 1.787 12.188 1.00 1.00 C ATOM 720 O GLY A 46 84.338 1.440 12.293 1.00 1.00 O ATOM 0 H GLY A 46 87.563 3.290 11.947 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.417 2.968 10.379 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.133 1.383 10.162 1.00 1.00 H new ATOM 724 N VAL A 47 86.300 1.792 13.219 1.00 1.00 N ATOM 725 CA VAL A 47 85.803 1.370 14.557 1.00 1.00 C ATOM 726 C VAL A 47 85.266 2.590 15.309 1.00 1.00 C ATOM 727 O VAL A 47 84.398 2.479 16.152 1.00 1.00 O ATOM 728 CB VAL A 47 86.956 0.743 15.344 1.00 1.00 C ATOM 729 CG1 VAL A 47 88.157 1.690 15.332 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.513 0.501 16.789 1.00 1.00 C ATOM 0 H VAL A 47 87.281 2.071 13.190 1.00 1.00 H new ATOM 0 HA VAL A 47 85.002 0.640 14.441 1.00 1.00 H new ATOM 0 HB VAL A 47 87.236 -0.205 14.885 1.00 1.00 H new ATOM 0 HG11 VAL A 47 88.978 1.243 15.893 1.00 1.00 H new ATOM 0 HG12 VAL A 47 88.472 1.865 14.303 1.00 1.00 H new ATOM 0 HG13 VAL A 47 87.877 2.638 15.792 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.333 0.054 17.351 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.233 1.449 17.247 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.657 -0.173 16.799 1.00 1.00 H new ATOM 740 N GLN A 48 85.774 3.757 15.011 1.00 1.00 N ATOM 741 CA GLN A 48 85.292 4.985 15.708 1.00 1.00 C ATOM 742 C GLN A 48 85.296 6.160 14.727 1.00 1.00 C ATOM 743 O GLN A 48 86.329 6.566 14.233 1.00 1.00 O ATOM 744 CB GLN A 48 86.218 5.300 16.890 1.00 1.00 C ATOM 745 CG GLN A 48 85.730 4.555 18.134 1.00 1.00 C ATOM 746 CD GLN A 48 84.422 5.178 18.623 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.256 6.381 18.582 1.00 1.00 O ATOM 748 NE2 GLN A 48 83.478 4.405 19.087 1.00 1.00 N ATOM 0 H GLN A 48 86.503 3.912 14.314 1.00 1.00 H new ATOM 0 HA GLN A 48 84.279 4.822 16.076 1.00 1.00 H new ATOM 0 HB2 GLN A 48 87.240 5.004 16.654 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.232 6.374 17.078 1.00 1.00 H new ATOM 0 HG2 GLN A 48 85.579 3.501 17.903 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.484 4.604 18.919 1.00 1.00 H new ATOM 0 HE21 GLN A 48 83.617 3.395 19.122 1.00 1.00 H new ATOM 0 HE22 GLN A 48 82.602 4.811 19.415 1.00 1.00 H new ATOM 757 N GLY A 49 84.148 6.710 14.443 1.00 1.00 N ATOM 758 CA GLY A 49 84.085 7.858 13.496 1.00 1.00 C ATOM 759 C GLY A 49 82.688 8.481 13.540 1.00 1.00 C ATOM 760 O GLY A 49 82.510 9.648 13.254 1.00 1.00 O ATOM 0 H GLY A 49 83.250 6.414 14.826 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.835 8.603 13.761 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.313 7.522 12.485 1.00 1.00 H new ATOM 764 N CYS A 50 81.698 7.711 13.899 1.00 1.00 N ATOM 765 CA CYS A 50 80.313 8.252 13.965 1.00 1.00 C ATOM 766 C CYS A 50 79.421 7.257 14.708 1.00 1.00 C ATOM 767 O CYS A 50 79.820 6.148 15.003 1.00 1.00 O ATOM 768 CB CYS A 50 79.777 8.462 12.545 1.00 1.00 C ATOM 769 SG CYS A 50 80.214 10.123 11.974 1.00 1.00 S ATOM 0 H CYS A 50 81.790 6.727 14.150 1.00 1.00 H new ATOM 0 HA CYS A 50 80.316 9.206 14.493 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.195 7.713 11.873 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.695 8.334 12.531 1.00 1.00 H new ATOM 774 N GLY A 51 78.218 7.645 15.012 1.00 1.00 N ATOM 775 CA GLY A 51 77.296 6.725 15.736 1.00 1.00 C ATOM 776 C GLY A 51 76.113 7.517 16.297 1.00 1.00 C ATOM 777 O GLY A 51 75.146 6.954 16.769 1.00 1.00 O ATOM 0 H GLY A 51 77.830 8.562 14.791 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.938 5.948 15.061 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.828 6.224 16.545 1.00 1.00 H new ATOM 781 N ASP A 52 76.180 8.821 16.249 1.00 1.00 N ATOM 782 CA ASP A 52 75.056 9.643 16.780 1.00 1.00 C ATOM 783 C ASP A 52 75.255 11.107 16.380 1.00 1.00 C ATOM 784 O ASP A 52 76.069 11.811 16.944 1.00 1.00 O ATOM 785 CB ASP A 52 75.018 9.531 18.306 1.00 1.00 C ATOM 786 CG ASP A 52 73.871 10.384 18.853 1.00 1.00 C ATOM 787 OD1 ASP A 52 72.857 10.477 18.182 1.00 1.00 O ATOM 788 OD2 ASP A 52 74.027 10.928 19.933 1.00 1.00 O ATOM 0 H ASP A 52 76.963 9.351 15.866 1.00 1.00 H new ATOM 0 HA ASP A 52 74.116 9.280 16.365 1.00 1.00 H new ATOM 0 HB2 ASP A 52 74.884 8.490 18.601 1.00 1.00 H new ATOM 0 HB3 ASP A 52 75.966 9.863 18.729 1.00 1.00 H new ATOM 793 N ASP A 53 74.515 11.570 15.409 1.00 1.00 N ATOM 794 CA ASP A 53 74.657 12.988 14.971 1.00 1.00 C ATOM 795 C ASP A 53 73.553 13.318 13.965 1.00 1.00 C ATOM 796 O ASP A 53 72.763 12.470 13.599 1.00 1.00 O ATOM 797 CB ASP A 53 76.024 13.185 14.313 1.00 1.00 C ATOM 798 CG ASP A 53 76.289 12.040 13.333 1.00 1.00 C ATOM 799 OD1 ASP A 53 75.560 11.938 12.361 1.00 1.00 O ATOM 800 OD2 ASP A 53 77.217 11.285 13.572 1.00 1.00 O ATOM 0 H ASP A 53 73.818 11.027 14.900 1.00 1.00 H new ATOM 0 HA ASP A 53 74.574 13.648 15.835 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.053 14.140 13.789 1.00 1.00 H new ATOM 0 HB3 ASP A 53 76.804 13.215 15.073 1.00 1.00 H new ATOM 805 N ILE A 54 73.491 14.543 13.514 1.00 1.00 N ATOM 806 CA ILE A 54 72.439 14.933 12.529 1.00 1.00 C ATOM 807 C ILE A 54 73.115 15.341 11.208 1.00 1.00 C ATOM 808 O ILE A 54 73.541 16.465 11.035 1.00 1.00 O ATOM 809 CB ILE A 54 71.610 16.093 13.115 1.00 1.00 C ATOM 810 CG1 ILE A 54 70.280 16.196 12.365 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.384 17.404 12.961 1.00 1.00 C ATOM 812 CD1 ILE A 54 70.549 16.382 10.871 1.00 1.00 C ATOM 0 H ILE A 54 74.126 15.293 13.786 1.00 1.00 H new ATOM 0 HA ILE A 54 71.769 14.097 12.328 1.00 1.00 H new ATOM 0 HB ILE A 54 71.420 15.906 14.172 1.00 1.00 H new ATOM 0 HG12 ILE A 54 69.687 15.296 12.529 1.00 1.00 H new ATOM 0 HG13 ILE A 54 69.699 17.035 12.748 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.797 18.224 13.376 1.00 1.00 H new ATOM 0 HG22 ILE A 54 73.332 17.331 13.493 1.00 1.00 H new ATOM 0 HG23 ILE A 54 72.574 17.592 11.904 1.00 1.00 H new ATOM 0 HD11 ILE A 54 69.602 16.455 10.337 1.00 1.00 H new ATOM 0 HD12 ILE A 54 71.125 17.295 10.716 1.00 1.00 H new ATOM 0 HD13 ILE A 54 71.113 15.529 10.494 1.00 1.00 H new ATOM 824 N PRO A 55 73.221 14.427 10.276 1.00 1.00 N ATOM 825 CA PRO A 55 73.854 14.697 8.960 1.00 1.00 C ATOM 826 C PRO A 55 72.860 15.288 7.957 1.00 1.00 C ATOM 827 O PRO A 55 73.232 15.987 7.036 1.00 1.00 O ATOM 828 CB PRO A 55 74.318 13.313 8.513 1.00 1.00 C ATOM 829 CG PRO A 55 73.330 12.363 9.113 1.00 1.00 C ATOM 830 CD PRO A 55 72.758 13.033 10.370 1.00 1.00 C ATOM 0 HA PRO A 55 74.659 15.429 9.025 1.00 1.00 H new ATOM 0 HB2 PRO A 55 74.333 13.233 7.426 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.329 13.104 8.862 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.535 12.136 8.403 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.810 11.418 9.366 1.00 1.00 H new ATOM 0 HD2 PRO A 55 71.670 12.975 10.392 1.00 1.00 H new ATOM 0 HD3 PRO A 55 73.122 12.553 11.278 1.00 1.00 H new ATOM 838 N GLY A 56 71.599 15.012 8.132 1.00 1.00 N ATOM 839 CA GLY A 56 70.581 15.557 7.193 1.00 1.00 C ATOM 840 C GLY A 56 69.186 15.134 7.653 1.00 1.00 C ATOM 841 O GLY A 56 68.665 14.121 7.231 1.00 1.00 O ATOM 0 H GLY A 56 71.229 14.432 8.885 1.00 1.00 H new ATOM 0 HA2 GLY A 56 70.649 16.644 7.156 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.769 15.192 6.183 1.00 1.00 H new ATOM 845 N MET A 57 68.582 15.899 8.521 1.00 1.00 N ATOM 846 CA MET A 57 67.219 15.545 9.016 1.00 1.00 C ATOM 847 C MET A 57 66.215 15.603 7.859 1.00 1.00 C ATOM 848 O MET A 57 65.242 16.329 7.906 1.00 1.00 O ATOM 849 CB MET A 57 66.796 16.535 10.106 1.00 1.00 C ATOM 850 CG MET A 57 66.994 17.966 9.604 1.00 1.00 C ATOM 851 SD MET A 57 66.118 19.115 10.694 1.00 1.00 S ATOM 852 CE MET A 57 66.992 18.691 12.221 1.00 1.00 C ATOM 0 H MET A 57 68.974 16.756 8.910 1.00 1.00 H new ATOM 0 HA MET A 57 67.239 14.536 9.427 1.00 1.00 H new ATOM 0 HB2 MET A 57 65.751 16.374 10.373 1.00 1.00 H new ATOM 0 HB3 MET A 57 67.384 16.371 11.009 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.056 18.210 9.579 1.00 1.00 H new ATOM 0 HG3 MET A 57 66.621 18.060 8.584 1.00 1.00 H new ATOM 0 HE1 MET A 57 66.922 19.522 12.923 1.00 1.00 H new ATOM 0 HE2 MET A 57 66.541 17.803 12.664 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.040 18.492 11.997 1.00 1.00 H new ATOM 862 N GLU A 58 66.441 14.843 6.822 1.00 1.00 N ATOM 863 CA GLU A 58 65.499 14.855 5.666 1.00 1.00 C ATOM 864 C GLU A 58 65.577 13.511 4.938 1.00 1.00 C ATOM 865 O GLU A 58 66.024 13.432 3.811 1.00 1.00 O ATOM 866 CB GLU A 58 65.887 15.978 4.701 1.00 1.00 C ATOM 867 CG GLU A 58 65.669 17.333 5.377 1.00 1.00 C ATOM 868 CD GLU A 58 65.734 18.444 4.328 1.00 1.00 C ATOM 869 OE1 GLU A 58 66.826 18.918 4.062 1.00 1.00 O ATOM 870 OE2 GLU A 58 64.689 18.802 3.808 1.00 1.00 O ATOM 0 H GLU A 58 67.238 14.214 6.725 1.00 1.00 H new ATOM 0 HA GLU A 58 64.483 15.020 6.025 1.00 1.00 H new ATOM 0 HB2 GLU A 58 66.930 15.872 4.404 1.00 1.00 H new ATOM 0 HB3 GLU A 58 65.289 15.913 3.792 1.00 1.00 H new ATOM 0 HG2 GLU A 58 64.702 17.349 5.879 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.428 17.496 6.142 1.00 1.00 H new ATOM 877 N GLY A 59 65.146 12.453 5.575 1.00 1.00 N ATOM 878 CA GLY A 59 65.193 11.109 4.926 1.00 1.00 C ATOM 879 C GLY A 59 66.219 10.231 5.646 1.00 1.00 C ATOM 880 O GLY A 59 66.297 9.040 5.421 1.00 1.00 O ATOM 0 H GLY A 59 64.762 12.462 6.520 1.00 1.00 H new ATOM 0 HA2 GLY A 59 64.209 10.641 4.962 1.00 1.00 H new ATOM 0 HA3 GLY A 59 65.460 11.210 3.874 1.00 1.00 H new ATOM 884 N CYS A 60 67.007 10.809 6.512 1.00 1.00 N ATOM 885 CA CYS A 60 68.024 10.004 7.245 1.00 1.00 C ATOM 886 C CYS A 60 68.585 10.826 8.408 1.00 1.00 C ATOM 887 O CYS A 60 69.444 11.668 8.230 1.00 1.00 O ATOM 888 CB CYS A 60 69.160 9.625 6.292 1.00 1.00 C ATOM 889 SG CYS A 60 69.795 11.116 5.486 1.00 1.00 S ATOM 0 H CYS A 60 66.990 11.802 6.743 1.00 1.00 H new ATOM 0 HA CYS A 60 67.559 9.098 7.633 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.959 9.127 6.842 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.801 8.919 5.543 1.00 1.00 H new ATOM 894 N GLY A 61 68.106 10.586 9.599 1.00 1.00 N ATOM 895 CA GLY A 61 68.609 11.349 10.776 1.00 1.00 C ATOM 896 C GLY A 61 68.308 10.568 12.057 1.00 1.00 C ATOM 897 O GLY A 61 69.125 10.490 12.953 1.00 1.00 O ATOM 0 H GLY A 61 67.387 9.893 9.807 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.682 11.516 10.683 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.136 12.330 10.816 1.00 1.00 H new ATOM 901 N THR A 62 67.140 9.987 12.145 1.00 1.00 N ATOM 902 CA THR A 62 66.771 9.203 13.363 1.00 1.00 C ATOM 903 C THR A 62 66.497 7.752 12.964 1.00 1.00 C ATOM 904 O THR A 62 67.082 6.831 13.497 1.00 1.00 O ATOM 905 CB THR A 62 65.511 9.805 13.997 1.00 1.00 C ATOM 906 OG1 THR A 62 64.724 8.765 14.560 1.00 1.00 O ATOM 907 CG2 THR A 62 64.701 10.540 12.928 1.00 1.00 C ATOM 0 H THR A 62 66.421 10.022 11.422 1.00 1.00 H new ATOM 0 HA THR A 62 67.589 9.237 14.082 1.00 1.00 H new ATOM 0 HB THR A 62 65.797 10.508 14.779 1.00 1.00 H new ATOM 0 HG1 THR A 62 63.919 9.148 14.967 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.806 10.967 13.380 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.306 11.338 12.497 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.413 9.840 12.144 1.00 1.00 H new ATOM 915 N ASP A 63 65.611 7.542 12.028 1.00 1.00 N ATOM 916 CA ASP A 63 65.301 6.152 11.593 1.00 1.00 C ATOM 917 C ASP A 63 66.492 5.584 10.819 1.00 1.00 C ATOM 918 O ASP A 63 66.360 5.147 9.694 1.00 1.00 O ATOM 919 CB ASP A 63 64.063 6.163 10.693 1.00 1.00 C ATOM 920 CG ASP A 63 63.004 7.090 11.293 1.00 1.00 C ATOM 921 OD1 ASP A 63 62.336 6.671 12.223 1.00 1.00 O ATOM 922 OD2 ASP A 63 62.880 8.204 10.811 1.00 1.00 O ATOM 0 H ASP A 63 65.089 8.274 11.546 1.00 1.00 H new ATOM 0 HA ASP A 63 65.107 5.531 12.468 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.331 6.500 9.692 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.664 5.154 10.593 1.00 1.00 H new ATOM 927 N ILE A 64 67.654 5.588 11.412 1.00 1.00 N ATOM 928 CA ILE A 64 68.854 5.049 10.712 1.00 1.00 C ATOM 929 C ILE A 64 70.018 4.984 11.703 1.00 1.00 C ATOM 930 O ILE A 64 71.060 4.430 11.414 1.00 1.00 O ATOM 931 CB ILE A 64 69.202 5.960 9.518 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.710 5.906 9.260 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.792 7.399 9.836 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.104 4.493 8.827 1.00 1.00 C ATOM 0 H ILE A 64 67.825 5.942 12.353 1.00 1.00 H new ATOM 0 HA ILE A 64 68.654 4.046 10.334 1.00 1.00 H new ATOM 0 HB ILE A 64 68.667 5.618 8.632 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.983 6.624 8.487 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.254 6.186 10.162 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.038 8.043 8.991 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.719 7.439 10.022 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.326 7.742 10.722 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.178 4.455 8.643 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.845 3.786 9.615 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.570 4.230 7.914 1.00 1.00 H new ATOM 946 N THR A 65 69.844 5.542 12.873 1.00 1.00 N ATOM 947 CA THR A 65 70.933 5.512 13.891 1.00 1.00 C ATOM 948 C THR A 65 71.682 4.182 13.798 1.00 1.00 C ATOM 949 O THR A 65 72.887 4.124 13.940 1.00 1.00 O ATOM 950 CB THR A 65 70.324 5.656 15.288 1.00 1.00 C ATOM 951 OG1 THR A 65 69.240 4.748 15.425 1.00 1.00 O ATOM 952 CG2 THR A 65 69.822 7.088 15.483 1.00 1.00 C ATOM 0 H THR A 65 68.991 6.018 13.167 1.00 1.00 H new ATOM 0 HA THR A 65 71.626 6.333 13.707 1.00 1.00 H new ATOM 0 HB THR A 65 71.081 5.435 16.040 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.850 4.837 16.319 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.389 7.189 16.478 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.655 7.783 15.378 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.064 7.313 14.733 1.00 1.00 H new ATOM 960 N VAL A 66 70.972 3.114 13.551 1.00 1.00 N ATOM 961 CA VAL A 66 71.630 1.782 13.440 1.00 1.00 C ATOM 962 C VAL A 66 70.851 0.914 12.451 1.00 1.00 C ATOM 963 O VAL A 66 71.418 0.120 11.727 1.00 1.00 O ATOM 964 CB VAL A 66 71.643 1.101 14.810 1.00 1.00 C ATOM 965 CG1 VAL A 66 72.522 -0.149 14.751 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.205 2.069 15.854 1.00 1.00 C ATOM 0 H VAL A 66 69.960 3.108 13.421 1.00 1.00 H new ATOM 0 HA VAL A 66 72.654 1.911 13.089 1.00 1.00 H new ATOM 0 HB VAL A 66 70.627 0.818 15.084 1.00 1.00 H new ATOM 0 HG11 VAL A 66 72.531 -0.634 15.727 1.00 1.00 H new ATOM 0 HG12 VAL A 66 72.124 -0.839 14.007 1.00 1.00 H new ATOM 0 HG13 VAL A 66 73.538 0.134 14.477 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.215 1.585 16.831 1.00 1.00 H new ATOM 0 HG22 VAL A 66 73.221 2.351 15.579 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.580 2.961 15.897 1.00 1.00 H new ATOM 976 N ILE A 67 69.551 1.058 12.415 1.00 1.00 N ATOM 977 CA ILE A 67 68.729 0.242 11.473 1.00 1.00 C ATOM 978 C ILE A 67 67.688 1.136 10.798 1.00 1.00 C ATOM 979 O ILE A 67 66.769 1.618 11.429 1.00 1.00 O ATOM 980 CB ILE A 67 68.022 -0.876 12.245 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.064 -1.854 12.792 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.069 -1.621 11.308 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.387 -2.843 13.743 1.00 1.00 C ATOM 0 H ILE A 67 69.023 1.707 12.999 1.00 1.00 H new ATOM 0 HA ILE A 67 69.377 -0.197 10.714 1.00 1.00 H new ATOM 0 HB ILE A 67 67.456 -0.445 13.071 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.541 -2.390 11.972 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.850 -1.309 13.316 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.566 -2.417 11.858 1.00 1.00 H new ATOM 0 HG22 ILE A 67 66.327 -0.926 10.916 1.00 1.00 H new ATOM 0 HG23 ILE A 67 67.634 -2.052 10.482 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.129 -3.540 14.132 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.931 -2.299 14.570 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.617 -3.396 13.205 1.00 1.00 H new ATOM 995 N CYS A 68 67.824 1.358 9.520 1.00 1.00 N ATOM 996 CA CYS A 68 66.842 2.219 8.799 1.00 1.00 C ATOM 997 C CYS A 68 65.831 1.330 8.070 1.00 1.00 C ATOM 998 O CYS A 68 66.112 0.190 7.758 1.00 1.00 O ATOM 999 CB CYS A 68 67.592 3.102 7.791 1.00 1.00 C ATOM 1000 SG CYS A 68 67.419 2.408 6.128 1.00 1.00 S ATOM 0 H CYS A 68 68.574 0.980 8.942 1.00 1.00 H new ATOM 0 HA CYS A 68 66.311 2.855 9.508 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.195 4.117 7.815 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.646 3.165 8.062 1.00 1.00 H new ATOM 1005 N PRO A 69 64.659 1.839 7.789 1.00 1.00 N ATOM 1006 CA PRO A 69 63.612 1.060 7.076 1.00 1.00 C ATOM 1007 C PRO A 69 64.154 0.498 5.760 1.00 1.00 C ATOM 1008 O PRO A 69 64.084 -0.687 5.501 1.00 1.00 O ATOM 1009 CB PRO A 69 62.481 2.073 6.822 1.00 1.00 C ATOM 1010 CG PRO A 69 63.053 3.420 7.129 1.00 1.00 C ATOM 1011 CD PRO A 69 64.207 3.199 8.108 1.00 1.00 C ATOM 0 HA PRO A 69 63.270 0.200 7.652 1.00 1.00 H new ATOM 0 HB2 PRO A 69 62.137 2.022 5.789 1.00 1.00 H new ATOM 0 HB3 PRO A 69 61.619 1.862 7.456 1.00 1.00 H new ATOM 0 HG2 PRO A 69 63.406 3.906 6.220 1.00 1.00 H new ATOM 0 HG3 PRO A 69 62.296 4.071 7.565 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.002 3.931 7.966 1.00 1.00 H new ATOM 0 HD3 PRO A 69 63.878 3.282 9.144 1.00 1.00 H new ATOM 1019 N TRP A 70 64.713 1.341 4.937 1.00 1.00 N ATOM 1020 CA TRP A 70 65.282 0.859 3.649 1.00 1.00 C ATOM 1021 C TRP A 70 66.672 0.268 3.910 1.00 1.00 C ATOM 1022 O TRP A 70 67.627 0.579 3.230 1.00 1.00 O ATOM 1023 CB TRP A 70 65.388 2.027 2.659 1.00 1.00 C ATOM 1024 CG TRP A 70 64.344 3.048 2.980 1.00 1.00 C ATOM 1025 CD1 TRP A 70 63.064 2.771 3.317 1.00 1.00 C ATOM 1026 CD2 TRP A 70 64.468 4.501 3.001 1.00 1.00 C ATOM 1027 NE1 TRP A 70 62.393 3.958 3.544 1.00 1.00 N ATOM 1028 CE2 TRP A 70 63.214 5.053 3.362 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.532 5.383 2.745 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 63.026 6.434 3.464 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 65.346 6.769 2.847 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.098 7.294 3.206 1.00 1.00 C ATOM 0 H TRP A 70 64.800 2.344 5.102 1.00 1.00 H new ATOM 0 HA TRP A 70 64.633 0.094 3.222 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.380 2.476 2.714 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.258 1.666 1.639 1.00 1.00 H new ATOM 0 HD1 TRP A 70 62.636 1.783 3.396 1.00 1.00 H new ATOM 0 HE1 TRP A 70 61.411 4.018 3.813 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.499 4.991 2.468 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 62.061 6.834 3.740 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.171 7.437 2.647 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.964 8.363 3.284 1.00 1.00 H new ATOM 1043 N GLU A 71 66.792 -0.581 4.894 1.00 1.00 N ATOM 1044 CA GLU A 71 68.118 -1.194 5.202 1.00 1.00 C ATOM 1045 C GLU A 71 67.893 -2.576 5.817 1.00 1.00 C ATOM 1046 O GLU A 71 68.798 -3.380 5.916 1.00 1.00 O ATOM 1047 CB GLU A 71 68.884 -0.297 6.187 1.00 1.00 C ATOM 1048 CG GLU A 71 70.049 -1.080 6.795 1.00 1.00 C ATOM 1049 CD GLU A 71 70.824 -1.790 5.683 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.043 -1.172 4.654 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.185 -2.938 5.880 1.00 1.00 O ATOM 0 H GLU A 71 66.027 -0.878 5.500 1.00 1.00 H new ATOM 0 HA GLU A 71 68.704 -1.293 4.288 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.257 0.589 5.673 1.00 1.00 H new ATOM 0 HB3 GLU A 71 68.215 0.049 6.975 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.710 -0.405 7.339 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.675 -1.809 7.514 1.00 1.00 H new ATOM 1058 N ALA A 72 66.686 -2.861 6.223 1.00 1.00 N ATOM 1059 CA ALA A 72 66.397 -4.193 6.821 1.00 1.00 C ATOM 1060 C ALA A 72 66.344 -5.241 5.708 1.00 1.00 C ATOM 1061 O ALA A 72 66.416 -6.429 5.954 1.00 1.00 O ATOM 1062 CB ALA A 72 65.049 -4.145 7.546 1.00 1.00 C ATOM 0 H ALA A 72 65.888 -2.228 6.166 1.00 1.00 H new ATOM 0 HA ALA A 72 67.180 -4.455 7.533 1.00 1.00 H new ATOM 0 HB1 ALA A 72 64.837 -5.120 7.984 1.00 1.00 H new ATOM 0 HB2 ALA A 72 65.086 -3.393 8.334 1.00 1.00 H new ATOM 0 HB3 ALA A 72 64.263 -3.887 6.836 1.00 1.00 H new ATOM 1068 N CYS A 73 66.219 -4.807 4.482 1.00 1.00 N ATOM 1069 CA CYS A 73 66.163 -5.774 3.349 1.00 1.00 C ATOM 1070 C CYS A 73 67.372 -6.711 3.423 1.00 1.00 C ATOM 1071 O CYS A 73 67.239 -7.917 3.376 1.00 1.00 O ATOM 1072 CB CYS A 73 66.180 -5.016 2.012 1.00 1.00 C ATOM 1073 SG CYS A 73 66.344 -3.241 2.325 1.00 1.00 S ATOM 0 H CYS A 73 66.153 -3.824 4.217 1.00 1.00 H new ATOM 0 HA CYS A 73 65.244 -6.355 3.416 1.00 1.00 H new ATOM 0 HB2 CYS A 73 67.008 -5.365 1.395 1.00 1.00 H new ATOM 0 HB3 CYS A 73 65.263 -5.215 1.458 1.00 1.00 H new ATOM 1078 N ASN A 74 68.552 -6.162 3.534 1.00 1.00 N ATOM 1079 CA ASN A 74 69.773 -7.016 3.608 1.00 1.00 C ATOM 1080 C ASN A 74 70.922 -6.206 4.215 1.00 1.00 C ATOM 1081 O ASN A 74 70.754 -5.519 5.201 1.00 1.00 O ATOM 1082 CB ASN A 74 70.157 -7.472 2.198 1.00 1.00 C ATOM 1083 CG ASN A 74 71.181 -8.605 2.287 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.352 -8.403 2.034 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.787 -9.798 2.640 1.00 1.00 N ATOM 0 H ASN A 74 68.723 -5.157 3.577 1.00 1.00 H new ATOM 0 HA ASN A 74 69.575 -7.888 4.231 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.271 -7.810 1.660 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.572 -6.636 1.635 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.462 -10.560 2.703 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.804 -9.968 2.853 1.00 1.00 H new ATOM 1092 N HIS A 75 72.089 -6.279 3.629 1.00 1.00 N ATOM 1093 CA HIS A 75 73.247 -5.508 4.170 1.00 1.00 C ATOM 1094 C HIS A 75 74.301 -5.334 3.074 1.00 1.00 C ATOM 1095 O HIS A 75 74.589 -4.235 2.647 1.00 1.00 O ATOM 1096 CB HIS A 75 73.864 -6.265 5.349 1.00 1.00 C ATOM 1097 CG HIS A 75 72.861 -6.357 6.466 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.332 -5.231 7.080 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.281 -7.434 7.092 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.475 -5.650 8.028 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.407 -6.981 8.076 1.00 1.00 N ATOM 0 H HIS A 75 72.290 -6.839 2.800 1.00 1.00 H new ATOM 0 HA HIS A 75 72.903 -4.530 4.506 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.167 -7.264 5.035 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.762 -5.753 5.694 1.00 1.00 H new ATOM 0 HD1 HIS A 75 72.553 -4.261 6.854 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.473 -8.470 6.857 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.911 -4.990 8.671 1.00 1.00 H new ATOM 1110 N CYS A 76 74.875 -6.417 2.619 1.00 1.00 N ATOM 1111 CA CYS A 76 75.912 -6.337 1.549 1.00 1.00 C ATOM 1112 C CYS A 76 76.831 -5.136 1.799 1.00 1.00 C ATOM 1113 O CYS A 76 76.626 -4.062 1.272 1.00 1.00 O ATOM 1114 CB CYS A 76 75.229 -6.194 0.184 1.00 1.00 C ATOM 1115 SG CYS A 76 74.529 -4.532 0.027 1.00 1.00 S ATOM 0 H CYS A 76 74.668 -7.361 2.946 1.00 1.00 H new ATOM 0 HA CYS A 76 76.511 -7.248 1.560 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.949 -6.373 -0.615 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.443 -6.942 0.079 1.00 1.00 H new ATOM 1120 N GLU A 77 77.854 -5.305 2.592 1.00 1.00 N ATOM 1121 CA GLU A 77 78.779 -4.165 2.852 1.00 1.00 C ATOM 1122 C GLU A 77 79.507 -3.820 1.551 1.00 1.00 C ATOM 1123 O GLU A 77 79.842 -2.681 1.295 1.00 1.00 O ATOM 1124 CB GLU A 77 79.791 -4.559 3.932 1.00 1.00 C ATOM 1125 CG GLU A 77 80.867 -3.477 4.047 1.00 1.00 C ATOM 1126 CD GLU A 77 81.959 -3.730 3.006 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.900 -4.758 2.352 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.836 -2.892 2.881 1.00 1.00 O ATOM 0 H GLU A 77 78.088 -6.176 3.068 1.00 1.00 H new ATOM 0 HA GLU A 77 78.217 -3.298 3.200 1.00 1.00 H new ATOM 0 HB2 GLU A 77 79.285 -4.686 4.889 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.249 -5.516 3.684 1.00 1.00 H new ATOM 0 HG2 GLU A 77 80.425 -2.492 3.894 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.297 -3.482 5.049 1.00 1.00 H new ATOM 1135 N LEU A 78 79.738 -4.803 0.724 1.00 1.00 N ATOM 1136 CA LEU A 78 80.428 -4.559 -0.574 1.00 1.00 C ATOM 1137 C LEU A 78 80.434 -5.861 -1.379 1.00 1.00 C ATOM 1138 O LEU A 78 79.722 -6.002 -2.353 1.00 1.00 O ATOM 1139 CB LEU A 78 81.868 -4.100 -0.325 1.00 1.00 C ATOM 1140 CG LEU A 78 82.430 -3.464 -1.597 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.770 -2.102 -1.823 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.942 -3.277 -1.447 1.00 1.00 C ATOM 0 H LEU A 78 79.475 -5.774 0.894 1.00 1.00 H new ATOM 0 HA LEU A 78 79.904 -3.780 -1.127 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.895 -3.383 0.495 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.485 -4.948 -0.027 1.00 1.00 H new ATOM 0 HG LEU A 78 82.224 -4.113 -2.448 1.00 1.00 H new ATOM 0 HD11 LEU A 78 82.171 -1.649 -2.730 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.693 -2.233 -1.928 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.975 -1.453 -0.972 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.344 -2.824 -2.353 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.146 -2.628 -0.595 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.414 -4.246 -1.286 1.00 1.00 H new ATOM 1154 N HIS A 79 81.224 -6.818 -0.969 1.00 1.00 N ATOM 1155 CA HIS A 79 81.271 -8.120 -1.697 1.00 1.00 C ATOM 1156 C HIS A 79 82.291 -9.042 -1.026 1.00 1.00 C ATOM 1157 O HIS A 79 83.007 -9.770 -1.686 1.00 1.00 O ATOM 1158 CB HIS A 79 81.678 -7.891 -3.157 1.00 1.00 C ATOM 1159 CG HIS A 79 82.870 -6.975 -3.209 1.00 1.00 C ATOM 1160 ND1 HIS A 79 83.942 -7.107 -2.339 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.173 -5.909 -4.020 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.833 -6.146 -2.642 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.413 -5.390 -3.658 1.00 1.00 N ATOM 0 H HIS A 79 81.840 -6.754 -0.159 1.00 1.00 H new ATOM 0 HA HIS A 79 80.283 -8.580 -1.668 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.916 -8.842 -3.632 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.847 -7.456 -3.713 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.547 -5.532 -4.815 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.772 -6.004 -2.127 1.00 1.00 H new ATOM 0 HE2 HIS A 79 84.898 -4.599 -4.080 1.00 1.00 H new ATOM 1172 N GLU A 80 82.368 -9.023 0.279 1.00 1.00 N ATOM 1173 CA GLU A 80 83.350 -9.906 0.972 1.00 1.00 C ATOM 1174 C GLU A 80 83.110 -9.885 2.487 1.00 1.00 C ATOM 1175 O GLU A 80 82.845 -10.905 3.093 1.00 1.00 O ATOM 1176 CB GLU A 80 84.771 -9.418 0.674 1.00 1.00 C ATOM 1177 CG GLU A 80 85.765 -10.551 0.936 1.00 1.00 C ATOM 1178 CD GLU A 80 85.640 -11.606 -0.165 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.555 -11.222 -1.319 1.00 1.00 O ATOM 1180 OE2 GLU A 80 85.631 -12.780 0.166 1.00 1.00 O ATOM 0 H GLU A 80 81.798 -8.439 0.890 1.00 1.00 H new ATOM 0 HA GLU A 80 83.225 -10.926 0.610 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.844 -9.088 -0.362 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.010 -8.558 1.300 1.00 1.00 H new ATOM 0 HG2 GLU A 80 86.781 -10.158 0.964 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.571 -11.001 1.909 1.00 1.00 H new ATOM 1187 N LEU A 81 83.212 -8.739 3.108 1.00 1.00 N ATOM 1188 CA LEU A 81 83.002 -8.669 4.586 1.00 1.00 C ATOM 1189 C LEU A 81 81.527 -8.399 4.894 1.00 1.00 C ATOM 1190 O LEU A 81 81.183 -7.933 5.962 1.00 1.00 O ATOM 1191 CB LEU A 81 83.859 -7.543 5.180 1.00 1.00 C ATOM 1192 CG LEU A 81 83.556 -6.227 4.461 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.512 -5.087 5.480 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.651 -5.946 3.431 1.00 1.00 C ATOM 0 H LEU A 81 83.431 -7.850 2.658 1.00 1.00 H new ATOM 0 HA LEU A 81 83.294 -9.622 5.028 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.654 -7.441 6.246 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.917 -7.787 5.080 1.00 1.00 H new ATOM 0 HG LEU A 81 82.592 -6.302 3.957 1.00 1.00 H new ATOM 0 HD11 LEU A 81 83.296 -4.149 4.968 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.733 -5.286 6.216 1.00 1.00 H new ATOM 0 HD13 LEU A 81 84.476 -5.012 5.984 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.436 -5.009 2.918 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.614 -5.871 3.935 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.684 -6.758 2.704 1.00 1.00 H new ATOM 1206 N ALA A 82 80.653 -8.687 3.972 1.00 1.00 N ATOM 1207 CA ALA A 82 79.204 -8.443 4.220 1.00 1.00 C ATOM 1208 C ALA A 82 78.721 -9.325 5.375 1.00 1.00 C ATOM 1209 O ALA A 82 79.074 -9.113 6.518 1.00 1.00 O ATOM 1210 CB ALA A 82 78.409 -8.771 2.956 1.00 1.00 C ATOM 0 H ALA A 82 80.878 -9.080 3.058 1.00 1.00 H new ATOM 0 HA ALA A 82 79.054 -7.396 4.482 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.349 -8.593 3.136 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.749 -8.137 2.137 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.561 -9.817 2.692 1.00 1.00 H new ATOM 1216 N GLN A 83 77.911 -10.309 5.083 1.00 1.00 N ATOM 1217 CA GLN A 83 77.391 -11.204 6.158 1.00 1.00 C ATOM 1218 C GLN A 83 76.453 -10.409 7.074 1.00 1.00 C ATOM 1219 O GLN A 83 75.407 -10.884 7.470 1.00 1.00 O ATOM 1220 CB GLN A 83 78.558 -11.774 6.976 1.00 1.00 C ATOM 1221 CG GLN A 83 79.712 -12.137 6.040 1.00 1.00 C ATOM 1222 CD GLN A 83 80.516 -13.291 6.643 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.618 -13.097 7.115 1.00 1.00 O ATOM 1224 NE2 GLN A 83 80.007 -14.493 6.646 1.00 1.00 N ATOM 0 H GLN A 83 77.586 -10.532 4.142 1.00 1.00 H new ATOM 0 HA GLN A 83 76.842 -12.029 5.705 1.00 1.00 H new ATOM 0 HB2 GLN A 83 78.890 -11.043 7.713 1.00 1.00 H new ATOM 0 HB3 GLN A 83 78.232 -12.656 7.527 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.325 -12.422 5.062 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.357 -11.271 5.888 1.00 1.00 H new ATOM 0 HE21 GLN A 83 79.081 -14.656 6.250 1.00 1.00 H new ATOM 0 HE22 GLN A 83 80.535 -15.269 7.045 1.00 1.00 H new ATOM 1233 N TYR A 84 76.818 -9.200 7.407 1.00 1.00 N ATOM 1234 CA TYR A 84 75.951 -8.365 8.289 1.00 1.00 C ATOM 1235 C TYR A 84 76.162 -6.887 7.941 1.00 1.00 C ATOM 1236 O TYR A 84 75.251 -6.085 8.010 1.00 1.00 O ATOM 1237 CB TYR A 84 76.327 -8.610 9.753 1.00 1.00 C ATOM 1238 CG TYR A 84 75.887 -9.996 10.160 1.00 1.00 C ATOM 1239 CD1 TYR A 84 74.524 -10.312 10.210 1.00 1.00 C ATOM 1240 CD2 TYR A 84 76.843 -10.965 10.489 1.00 1.00 C ATOM 1241 CE1 TYR A 84 74.117 -11.597 10.588 1.00 1.00 C ATOM 1242 CE2 TYR A 84 76.435 -12.250 10.867 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.072 -12.566 10.916 1.00 1.00 C ATOM 1244 OH TYR A 84 74.670 -13.832 11.289 1.00 1.00 O ATOM 0 H TYR A 84 77.683 -8.753 7.105 1.00 1.00 H new ATOM 0 HA TYR A 84 74.904 -8.630 8.139 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.404 -8.505 9.886 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.853 -7.864 10.391 1.00 1.00 H new ATOM 0 HD1 TYR A 84 73.787 -9.565 9.957 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.894 -10.721 10.451 1.00 1.00 H new ATOM 0 HE1 TYR A 84 73.066 -11.841 10.627 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.172 -12.998 11.121 1.00 1.00 H new ATOM 0 HH TYR A 84 75.458 -14.382 11.482 1.00 1.00 H new ATOM 1254 N GLY A 85 77.359 -6.530 7.558 1.00 1.00 N ATOM 1255 CA GLY A 85 77.647 -5.111 7.188 1.00 1.00 C ATOM 1256 C GLY A 85 77.053 -4.153 8.228 1.00 1.00 C ATOM 1257 O GLY A 85 75.876 -3.851 8.207 1.00 1.00 O ATOM 0 H GLY A 85 78.155 -7.163 7.485 1.00 1.00 H new ATOM 0 HA2 GLY A 85 78.724 -4.959 7.118 1.00 1.00 H new ATOM 0 HA3 GLY A 85 77.230 -4.894 6.205 1.00 1.00 H new ATOM 1261 N ILE A 86 77.864 -3.664 9.127 1.00 1.00 N ATOM 1262 CA ILE A 86 77.359 -2.716 10.165 1.00 1.00 C ATOM 1263 C ILE A 86 77.386 -1.290 9.609 1.00 1.00 C ATOM 1264 O ILE A 86 78.398 -0.616 9.649 1.00 1.00 O ATOM 1265 CB ILE A 86 78.262 -2.794 11.399 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.704 -3.056 10.958 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.792 -3.933 12.305 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.654 -2.767 12.122 1.00 1.00 C ATOM 0 H ILE A 86 78.859 -3.881 9.188 1.00 1.00 H new ATOM 0 HA ILE A 86 76.338 -2.982 10.437 1.00 1.00 H new ATOM 0 HB ILE A 86 78.213 -1.852 11.945 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.814 -4.091 10.633 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.955 -2.426 10.105 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.435 -3.988 13.183 1.00 1.00 H new ATOM 0 HG22 ILE A 86 76.765 -3.748 12.619 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.841 -4.876 11.760 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.681 -2.954 11.808 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.551 -1.725 12.426 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.408 -3.416 12.962 1.00 1.00 H new ATOM 1280 N CYS A 87 76.285 -0.824 9.093 1.00 1.00 N ATOM 1281 CA CYS A 87 76.251 0.559 8.541 1.00 1.00 C ATOM 1282 C CYS A 87 76.068 1.560 9.683 1.00 1.00 C ATOM 1283 CB CYS A 87 75.088 0.687 7.556 1.00 1.00 C ATOM 1284 SG CYS A 87 75.324 -0.476 6.189 1.00 1.00 S ATOM 0 H CYS A 87 75.407 -1.340 9.029 1.00 1.00 H new ATOM 0 HA CYS A 87 77.188 0.767 8.024 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.145 0.483 8.062 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.031 1.706 7.174 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.319 -10.974 -3.023 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.634 -11.512 1.923 1.00 1.00 O HETATM 1292 O1H RCY A 110 62.324 -12.732 -2.586 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.618 -9.899 -3.810 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.267 -13.584 0.674 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.778 -9.068 -0.250 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.664 -12.113 0.850 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.838 -12.614 -1.462 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.101 -11.485 -0.473 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.861 -13.571 -0.804 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.659 -10.087 -0.745 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.603 -8.512 -2.488 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.318 -9.534 -2.581 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.746 -8.822 -1.357 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.781 -9.777 -2.236 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.598 -7.322 -1.631 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.394 -9.441 -1.004 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.510 -10.517 -0.871 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.022 -8.999 -0.079 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.269 -6.817 -0.723 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.558 -6.913 -1.946 1.00 1.00 H new HETATM 0 H1VB RCY A 110 64.636 -8.683 -2.185 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.573 -8.264 -3.549 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.292 -9.388 0.672 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.093 -14.266 0.874 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.307 -11.242 -2.648 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.643 -11.821 -2.904 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.685 -9.249 -1.809 1.00 1.00 H new HETATM 0 H1Y RCY A 110 59.861 -7.167 -2.419 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.187 -7.687 -1.910 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.632 -10.086 -0.254 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.832 -13.235 -0.929 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.328 -8.155 -0.020 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.447 -13.876 1.330 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.391 -10.713 -4.079 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.027 5.051 -9.606 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.924 0.040 -9.881 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.701 0.603 -7.657 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.075 6.537 -7.206 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.762 1.362 -8.098 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.337 2.714 -7.053 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.924 0.481 -9.349 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.162 0.559 -8.762 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.444 1.893 -9.180 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.386 1.483 -9.606 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.468 3.026 -8.152 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.370 4.099 -9.432 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.259 5.106 -7.426 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.716 4.056 -6.415 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.038 4.326 -8.715 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.230 4.142 -6.201 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.973 4.274 -5.097 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.898 4.269 -5.280 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.226 3.475 -4.400 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.551 3.335 -5.542 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.739 4.051 -7.161 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.205 3.494 -10.323 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.797 5.060 -9.720 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.837 2.067 -6.332 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.034 1.161 -7.312 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.137 5.291 -9.025 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.264 5.234 -4.670 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.479 5.101 -5.747 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.059 3.582 -8.764 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.426 3.141 -7.854 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.840 2.205 -10.285 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.224 2.182 -7.397 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.395 9.485 -1.871 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.083 11.938 -2.657 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.324 9.434 -5.558 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.494 6.526 -1.318 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.763 12.523 -4.632 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.624 7.713 -3.567 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.353 11.577 -3.578 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.143 10.241 -5.122 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.921 10.131 -3.816 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.567 11.537 -5.789 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.193 8.887 -2.969 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.365 8.550 -4.227 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.606 7.146 -2.297 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.395 6.521 -2.987 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.682 8.559 -2.858 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.844 5.575 -4.104 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.560 5.771 -1.949 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.301 6.446 -1.133 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.648 5.399 -2.416 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.970 5.203 -4.639 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.493 6.112 -4.796 1.00 1.00 H new HETATM 0 H1VB RCY A 130 79.362 9.558 -4.642 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.393 8.206 -4.118 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.561 7.637 -3.340 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.827 12.977 -4.308 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.296 10.518 -2.205 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.947 9.378 -0.883 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.135 4.932 -1.557 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.389 4.736 -3.673 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.827 7.880 -4.898 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.760 9.124 -1.997 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.487 11.407 -6.359 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.716 7.745 -4.653 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.441 13.337 -4.888 1.00 1.00 H new HETATM 0 H1C RCY A 130 80.451 9.219 -1.821 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.961 0.657 1.761 1.00 1.00 C HETATM 1348 O1G RCY A 138 87.649 1.958 -0.486 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.145 1.492 -1.827 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.103 0.185 0.938 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.048 3.481 -1.537 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.779 -1.256 -1.401 1.00 1.00 C HETATM 1353 C1P RCY A 138 86.528 2.144 -0.958 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.336 1.798 -1.796 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.442 1.073 -1.040 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.976 2.976 -2.509 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.452 -0.360 -0.505 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.950 -1.861 1.472 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.254 -0.443 0.295 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.290 -1.181 -1.041 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.686 -0.508 0.809 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.700 -2.587 -0.893 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.507 -0.376 -2.079 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.903 0.638 -2.127 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.604 -0.850 -3.056 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.993 -1.915 1.785 1.00 1.00 H new HETATM 0 H1VA RCY A 138 84.303 -1.972 2.342 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.944 -0.966 -2.439 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.640 4.144 -0.774 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.026 0.697 1.989 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.655 1.591 1.290 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.455 -0.342 -1.795 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.742 -2.661 0.761 1.00 1.00 H new HETATM 0 H1U RCY A 138 86.510 -0.593 -0.381 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.414 2.673 -3.460 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.156 -2.273 -1.291 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.845 4.027 -2.042 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.398 0.514 2.683 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.279 7.558 6.892 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.125 8.084 9.338 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.425 8.254 9.761 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.602 4.995 5.345 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.626 9.159 10.945 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.371 5.781 7.880 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.977 8.341 9.696 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.615 8.563 9.749 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.723 7.885 8.952 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.253 9.698 10.529 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.599 6.981 7.724 1.00 1.00 C HETATM 1377 C1V RCY A 150 79.572 5.889 8.777 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.435 5.374 6.483 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.761 4.754 6.918 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.175 6.477 7.500 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.519 3.422 7.634 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.646 4.551 5.688 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.757 5.498 5.159 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.627 4.193 6.001 1.00 1.00 H new HETATM 0 H1YB RCY A 150 82.466 3.034 8.010 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.833 3.576 8.467 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.442 6.680 9.516 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.604 5.442 8.550 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.420 5.960 7.645 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.578 8.546 11.845 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.237 8.416 7.564 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.687 7.870 5.930 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.186 3.817 5.026 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.086 2.707 6.935 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.239 5.125 9.176 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.938 7.604 6.896 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.348 10.595 9.917 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.331 5.423 8.909 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.345 9.955 11.139 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.275 7.160 6.748 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.808 9.114 1.120 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.348 7.736 3.951 1.00 1.00 O HETATM 1387 O1H RCY A 160 69.371 9.977 2.741 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.764 6.497 2.262 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.845 9.248 5.153 1.00 1.00 C HETATM 1390 C1M RCY A 160 71.039 6.673 1.369 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.350 8.456 3.940 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.473 9.716 3.222 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.461 8.673 2.716 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.099 10.378 4.435 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.536 8.018 1.336 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.009 7.490 -0.655 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.440 6.702 1.682 1.00 1.00 N HETATM 1398 C1W RCY A 160 72.218 5.792 1.800 1.00 1.00 C HETATM 1399 C1X RCY A 160 72.969 7.869 0.827 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.358 4.585 0.867 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.071 5.337 3.251 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.034 6.209 3.904 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 71.151 4.762 3.361 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.444 3.992 0.899 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.530 4.931 -0.152 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.617 8.314 -1.252 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.038 7.285 -0.951 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.191 8.657 5.794 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.359 9.979 0.631 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.843 9.284 2.196 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.923 4.714 3.525 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.200 3.972 1.189 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.400 6.601 -0.820 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.949 8.675 0.695 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.779 11.178 4.143 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.658 9.616 5.779 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.820 8.968 0.742 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.328 4.986 1.083 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.362 2.646 2.842 1.00 1.00 O HETATM 1406 O1H RCY A 168 67.684 5.001 4.640 1.00 1.00 O HETATM 1407 O1J RCY A 168 66.719 6.846 2.820 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.564 2.023 4.380 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.484 6.727 3.535 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.366 2.975 3.485 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.655 4.256 4.516 1.00 1.00 C HETATM 1412 N1R RCY A 168 69.774 4.384 3.490 1.00 1.00 N HETATM 1413 C1S RCY A 168 68.959 3.032 5.361 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.190 5.613 2.679 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.593 7.160 0.766 1.00 1.00 C HETATM 1416 N1V RCY A 168 68.178 6.802 2.801 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.144 7.419 3.810 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.075 6.130 1.772 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.261 8.929 3.584 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.646 7.124 5.225 1.00 1.00 C HETATM 0 H1ZB RCY A 168 68.512 6.049 5.347 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 69.376 7.483 5.950 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.754 7.584 0.214 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.948 6.393 4.463 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.804 1.471 3.827 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.025 4.411 0.474 1.00 1.00 H new HETATM 0 H1CA RCY A 168 67.883 4.336 1.836 1.00 1.00 H new HETATM 0 H1Z RCY A 168 67.694 7.629 5.388 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.300 9.402 3.784 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.052 5.276 2.103 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.656 3.269 6.165 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.185 7.411 3.057 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.195 1.286 4.876 1.00 1.00 H new HETATM 0 H1C RCY A 168 67.543 5.395 0.447 1.00 1.00 H new HETATM 1423 C1C RCY A 173 70.555 -3.646 -2.876 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.084 -4.457 0.758 1.00 1.00 O HETATM 1425 O1H RCY A 173 67.393 -1.598 0.042 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.764 -1.872 -3.899 1.00 1.00 O HETATM 1427 C1L RCY A 173 68.840 -4.343 1.728 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.333 -0.951 -0.462 1.00 1.00 C HETATM 1429 C1P RCY A 173 69.996 -3.887 0.828 1.00 1.00 C HETATM 1430 C1Q RCY A 173 68.245 -2.305 0.579 1.00 1.00 C HETATM 1431 N1R RCY A 173 69.627 -2.637 0.030 1.00 1.00 N HETATM 1432 C1S RCY A 173 68.112 -3.008 1.917 1.00 1.00 C HETATM 1433 C1U RCY A 173 70.430 -1.902 -1.045 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.182 -3.727 -0.933 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.226 -1.810 -2.543 1.00 1.00 N HETATM 1436 C1W RCY A 173 72.426 -0.703 -1.509 1.00 1.00 C HETATM 1437 C1X RCY A 173 71.340 -2.832 -1.845 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.815 -0.810 -0.874 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.248 0.655 -2.188 1.00 1.00 C HETATM 0 H1ZB RCY A 173 71.278 0.689 -2.685 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.300 1.446 -1.439 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.911 -0.068 -0.081 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.948 -1.807 -0.455 1.00 1.00 H new HETATM 0 H1MA RCY A 173 70.815 -0.025 -0.212 1.00 1.00 H new HETATM 0 H1CB RCY A 173 69.807 -4.254 -2.367 1.00 1.00 H new HETATM 0 H1CA RCY A 173 70.060 -2.970 -3.573 1.00 1.00 H new HETATM 0 H1Z RCY A 173 73.038 0.800 -2.924 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.577 -0.631 -1.633 1.00 1.00 H new HETATM 0 H1U RCY A 173 69.672 -1.440 -1.678 1.00 1.00 H new HETATM 0 H1S RCY A 173 68.561 -2.422 2.719 1.00 1.00 H new HETATM 0 H1M RCY A 173 71.761 -1.337 0.464 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.187 -4.766 2.671 1.00 1.00 H new HETATM 0 H1C RCY A 173 71.238 -4.295 -3.424 1.00 1.00 H new HETATM 1442 C1C RCY A 176 67.637 -5.385 0.976 1.00 1.00 C HETATM 1443 O1G RCY A 176 69.950 -6.857 -0.151 1.00 1.00 O HETATM 1444 O1H RCY A 176 72.160 -2.690 0.071 1.00 1.00 O HETATM 1445 O1J RCY A 176 65.442 -3.840 -0.389 1.00 1.00 O HETATM 1446 C1L RCY A 176 72.302 -6.218 0.071 1.00 1.00 C HETATM 1447 C1M RCY A 176 69.019 -2.990 -1.483 1.00 1.00 C HETATM 1448 C1P RCY A 176 70.798 -5.968 -0.101 1.00 1.00 C HETATM 1449 C1Q RCY A 176 71.876 -3.856 -0.197 1.00 1.00 C HETATM 1450 N1R RCY A 176 70.484 -4.476 -0.202 1.00 1.00 N HETATM 1451 C1S RCY A 176 72.856 -4.949 -0.586 1.00 1.00 C HETATM 1452 C1U RCY A 176 69.127 -3.774 -0.286 1.00 1.00 C HETATM 1453 C1V RCY A 176 68.189 -5.811 -1.461 1.00 1.00 C HETATM 1454 N1V RCY A 176 66.844 -3.805 -0.798 1.00 1.00 N HETATM 1455 C1W RCY A 176 67.517 -2.810 -1.741 1.00 1.00 C HETATM 1456 C1X RCY A 176 67.959 -4.754 -0.380 1.00 1.00 C HETATM 1457 C1Y RCY A 176 67.178 -3.138 -3.197 1.00 1.00 C HETATM 1458 C1Z RCY A 176 67.059 -1.396 -1.386 1.00 1.00 C HETATM 0 H1ZA RCY A 176 67.604 -0.674 -1.994 1.00 1.00 H new HETATM 0 H1YB RCY A 176 67.732 -2.472 -3.858 1.00 1.00 H new HETATM 0 H1YA RCY A 176 67.451 -4.171 -3.410 1.00 1.00 H new HETATM 0 H1VB RCY A 176 69.025 -6.449 -1.174 1.00 1.00 H new HETATM 0 H1VA RCY A 176 67.291 -6.419 -1.572 1.00 1.00 H new HETATM 0 H1LA RCY A 176 72.593 -6.307 1.118 1.00 1.00 H new HETATM 0 H1Z RCY A 176 65.991 -1.300 -1.580 1.00 1.00 H new HETATM 0 H1Y RCY A 176 66.109 -3.005 -3.361 1.00 1.00 H new HETATM 0 H1V RCY A 176 68.415 -5.320 -2.408 1.00 1.00 H new HETATM 0 H1M RCY A 176 69.501 -3.492 -2.322 1.00 1.00 H new HETATM 0 H1L RCY A 176 72.634 -7.127 -0.431 1.00 1.00 H new HETATM 0 H1C RCY A 176 66.801 -6.076 0.867 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.558 1.448 0.962 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.112 2.450 4.320 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.427 -1.356 3.540 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.157 3.979 1.282 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.423 1.288 5.658 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.035 0.712 1.992 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.279 1.549 4.411 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.812 -0.242 3.893 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.969 0.551 3.297 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.219 0.598 5.009 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.639 0.382 1.932 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.546 0.957 -0.532 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.733 2.638 1.315 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.124 2.230 1.797 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.081 1.334 0.876 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.179 2.577 0.743 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.425 2.943 3.115 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.632 2.732 3.832 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.376 2.588 3.511 1.00 1.00 H new HETATM 0 H1YB RCY A 187 82.152 2.205 1.065 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.910 2.114 -0.207 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.116 -0.004 -0.812 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.221 1.720 -1.239 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.464 0.417 2.949 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.927 0.651 6.385 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.110 0.466 0.808 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.276 1.825 1.945 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.482 4.018 2.943 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.227 3.659 0.619 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.634 0.887 -0.549 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.456 -0.660 1.670 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.507 1.326 4.621 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.593 0.187 1.217 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.148 2.207 6.176 1.00 1.00 H new HETATM 0 H1C RCY A 187 76.201 2.134 0.194 1.00 1.00 H new