USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, 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 32 GLNHE21 : A 32 GLN NE2 : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 33 ARG N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 33 ARG N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 32 GLN CD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 32 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 32 GLN CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 32 GLN NE2 :(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 CD2 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 65 THR CG2 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 65 THR CG2 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1MA : A 168 RCY C1M : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 168 RCY C1U :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.2!) USER MOD Set 1.2: A 75 HIS : no HD1:sc=-0.00388 X(o=-1.8,f=-1.9) USER MOD Single : A 1 MET CE :methyl -129:sc= 0 (180deg=-0.0119) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.0411 (180deg=-0.761) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 137:sc= 0.164 (180deg=-0.105) USER MOD Single : A 12 SER OG : rot 6:sc= 0.799 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 17 MET CE :methyl 158:sc= -0.188 (180deg=-1.34) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.642 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -1.11 (180deg=-2.09) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.22 (180deg=-0.975) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.176) USER MOD Single : A 40 SER OG : rot -1:sc= 0.833! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -0.317 (180deg=-1.53!) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000316 USER MOD Single : A 79 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-3.6) USER MOD Single : A 83 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.15) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 50.637 8.256 7.808 1.00 1.00 N ATOM 2 CA MET A 1 51.193 7.090 8.551 1.00 1.00 C ATOM 3 C MET A 1 51.913 6.158 7.573 1.00 1.00 C ATOM 4 O MET A 1 51.305 5.322 6.935 1.00 1.00 O ATOM 5 CB MET A 1 50.053 6.333 9.238 1.00 1.00 C ATOM 6 CG MET A 1 48.822 6.329 8.330 1.00 1.00 C ATOM 7 SD MET A 1 47.653 5.072 8.903 1.00 1.00 S ATOM 8 CE MET A 1 46.921 6.039 10.246 1.00 1.00 C ATOM 0 H1 MET A 1 49.907 8.720 8.386 1.00 1.00 H new ATOM 0 H2 MET A 1 51.399 8.933 7.604 1.00 1.00 H new ATOM 0 H3 MET A 1 50.216 7.930 6.915 1.00 1.00 H new ATOM 0 HA MET A 1 51.900 7.440 9.303 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.361 5.310 9.455 1.00 1.00 H new ATOM 0 HB3 MET A 1 49.813 6.803 10.192 1.00 1.00 H new ATOM 0 HG2 MET A 1 48.349 7.311 8.337 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.117 6.124 7.301 1.00 1.00 H new ATOM 0 HE1 MET A 1 46.937 5.454 11.166 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.494 6.955 10.388 1.00 1.00 H new ATOM 0 HE3 MET A 1 45.891 6.290 9.994 1.00 1.00 H new ATOM 17 N ASN A 2 53.205 6.296 7.451 1.00 1.00 N ATOM 18 CA ASN A 2 53.964 5.419 6.516 1.00 1.00 C ATOM 19 C ASN A 2 53.306 5.450 5.135 1.00 1.00 C ATOM 20 O ASN A 2 52.482 4.618 4.811 1.00 1.00 O ATOM 21 CB ASN A 2 53.964 3.984 7.048 1.00 1.00 C ATOM 22 CG ASN A 2 54.729 3.930 8.372 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.137 3.981 9.431 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.030 3.828 8.356 1.00 1.00 N ATOM 0 H ASN A 2 53.768 6.979 7.959 1.00 1.00 H new ATOM 0 HA ASN A 2 54.990 5.778 6.437 1.00 1.00 H new ATOM 0 HB2 ASN A 2 52.940 3.639 7.193 1.00 1.00 H new ATOM 0 HB3 ASN A 2 54.426 3.316 6.321 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.549 3.791 9.233 1.00 1.00 H new ATOM 0 HD22 ASN A 2 56.527 3.785 7.466 1.00 1.00 H new ATOM 31 N LEU A 3 53.664 6.403 4.317 1.00 1.00 N ATOM 32 CA LEU A 3 53.059 6.484 2.957 1.00 1.00 C ATOM 33 C LEU A 3 53.139 5.107 2.294 1.00 1.00 C ATOM 34 O LEU A 3 52.136 4.515 1.950 1.00 1.00 O ATOM 35 CB LEU A 3 53.834 7.517 2.123 1.00 1.00 C ATOM 36 CG LEU A 3 53.105 7.773 0.803 1.00 1.00 C ATOM 37 CD1 LEU A 3 53.149 6.510 -0.059 1.00 1.00 C ATOM 38 CD2 LEU A 3 51.648 8.142 1.090 1.00 1.00 C ATOM 0 H LEU A 3 54.349 7.128 4.532 1.00 1.00 H new ATOM 0 HA LEU A 3 52.015 6.790 3.026 1.00 1.00 H new ATOM 0 HB2 LEU A 3 53.932 8.448 2.681 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.843 7.155 1.927 1.00 1.00 H new ATOM 0 HG LEU A 3 53.591 8.592 0.273 1.00 1.00 H new ATOM 0 HD11 LEU A 3 52.629 6.693 -0.999 1.00 1.00 H new ATOM 0 HD12 LEU A 3 54.186 6.245 -0.263 1.00 1.00 H new ATOM 0 HD13 LEU A 3 52.663 5.691 0.471 1.00 1.00 H new ATOM 0 HD21 LEU A 3 51.127 8.325 0.150 1.00 1.00 H new ATOM 0 HD22 LEU A 3 51.163 7.323 1.620 1.00 1.00 H new ATOM 0 HD23 LEU A 3 51.615 9.042 1.704 1.00 1.00 H new ATOM 50 N GLU A 4 54.324 4.592 2.114 1.00 1.00 N ATOM 51 CA GLU A 4 54.464 3.253 1.475 1.00 1.00 C ATOM 52 C GLU A 4 53.514 2.263 2.167 1.00 1.00 C ATOM 53 O GLU A 4 53.630 2.021 3.352 1.00 1.00 O ATOM 54 CB GLU A 4 55.909 2.768 1.627 1.00 1.00 C ATOM 55 CG GLU A 4 56.449 3.191 2.995 1.00 1.00 C ATOM 56 CD GLU A 4 57.780 2.486 3.259 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.434 2.117 2.297 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.124 2.327 4.419 1.00 1.00 O ATOM 0 H GLU A 4 55.201 5.040 2.381 1.00 1.00 H new ATOM 0 HA GLU A 4 54.214 3.320 0.416 1.00 1.00 H new ATOM 0 HB2 GLU A 4 55.952 1.683 1.527 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.529 3.186 0.834 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.586 4.272 3.025 1.00 1.00 H new ATOM 0 HG3 GLU A 4 55.731 2.939 3.775 1.00 1.00 H new ATOM 65 N PRO A 5 52.577 1.692 1.445 1.00 1.00 N ATOM 66 CA PRO A 5 51.607 0.722 2.027 1.00 1.00 C ATOM 67 C PRO A 5 52.286 -0.278 2.973 1.00 1.00 C ATOM 68 O PRO A 5 53.462 -0.556 2.847 1.00 1.00 O ATOM 69 CB PRO A 5 51.039 0.007 0.801 1.00 1.00 C ATOM 70 CG PRO A 5 51.133 1.008 -0.304 1.00 1.00 C ATOM 71 CD PRO A 5 52.338 1.903 0.008 1.00 1.00 C ATOM 0 HA PRO A 5 50.847 1.215 2.634 1.00 1.00 H new ATOM 0 HB2 PRO A 5 51.609 -0.893 0.569 1.00 1.00 H new ATOM 0 HB3 PRO A 5 50.007 -0.303 0.967 1.00 1.00 H new ATOM 0 HG2 PRO A 5 51.260 0.511 -1.266 1.00 1.00 H new ATOM 0 HG3 PRO A 5 50.219 1.599 -0.369 1.00 1.00 H new ATOM 0 HD2 PRO A 5 53.208 1.623 -0.586 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.125 2.949 -0.212 1.00 1.00 H new ATOM 79 N PRO A 6 51.550 -0.815 3.914 1.00 1.00 N ATOM 80 CA PRO A 6 52.093 -1.801 4.895 1.00 1.00 C ATOM 81 C PRO A 6 52.320 -3.179 4.265 1.00 1.00 C ATOM 82 O PRO A 6 51.714 -3.527 3.271 1.00 1.00 O ATOM 83 CB PRO A 6 51.004 -1.874 5.968 1.00 1.00 C ATOM 84 CG PRO A 6 49.739 -1.525 5.257 1.00 1.00 C ATOM 85 CD PRO A 6 50.121 -0.545 4.145 1.00 1.00 C ATOM 0 HA PRO A 6 53.067 -1.500 5.281 1.00 1.00 H new ATOM 0 HB2 PRO A 6 50.948 -2.870 6.407 1.00 1.00 H new ATOM 0 HB3 PRO A 6 51.204 -1.178 6.782 1.00 1.00 H new ATOM 0 HG2 PRO A 6 49.268 -2.417 4.843 1.00 1.00 H new ATOM 0 HG3 PRO A 6 49.021 -1.074 5.942 1.00 1.00 H new ATOM 0 HD2 PRO A 6 49.531 -0.713 3.244 1.00 1.00 H new ATOM 0 HD3 PRO A 6 49.953 0.489 4.448 1.00 1.00 H new ATOM 93 N LYS A 7 53.188 -3.967 4.840 1.00 1.00 N ATOM 94 CA LYS A 7 53.452 -5.322 4.278 1.00 1.00 C ATOM 95 C LYS A 7 54.385 -6.088 5.218 1.00 1.00 C ATOM 96 O LYS A 7 55.187 -6.895 4.790 1.00 1.00 O ATOM 97 CB LYS A 7 54.109 -5.189 2.902 1.00 1.00 C ATOM 98 CG LYS A 7 55.322 -4.262 3.000 1.00 1.00 C ATOM 99 CD LYS A 7 56.054 -4.234 1.657 1.00 1.00 C ATOM 100 CE LYS A 7 55.424 -3.173 0.753 1.00 1.00 C ATOM 101 NZ LYS A 7 55.892 -1.822 1.172 1.00 1.00 N ATOM 0 H LYS A 7 53.725 -3.731 5.674 1.00 1.00 H new ATOM 0 HA LYS A 7 52.511 -5.863 4.177 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.416 -6.169 2.538 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.393 -4.792 2.183 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.003 -3.256 3.273 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.994 -4.607 3.785 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.110 -4.014 1.811 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.998 -5.213 1.180 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.696 -3.358 -0.286 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.337 -3.228 0.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 56.127 -1.259 0.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 55.140 -1.345 1.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 56.737 -1.918 1.771 1.00 1.00 H new ATOM 115 N ALA A 8 54.286 -5.844 6.496 1.00 1.00 N ATOM 116 CA ALA A 8 55.167 -6.559 7.461 1.00 1.00 C ATOM 117 C ALA A 8 55.039 -8.068 7.244 1.00 1.00 C ATOM 118 O ALA A 8 54.235 -8.729 7.870 1.00 1.00 O ATOM 119 CB ALA A 8 54.745 -6.212 8.891 1.00 1.00 C ATOM 0 H ALA A 8 53.633 -5.181 6.913 1.00 1.00 H new ATOM 0 HA ALA A 8 56.202 -6.255 7.304 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.389 -6.735 9.598 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.834 -5.137 9.046 1.00 1.00 H new ATOM 0 HB3 ALA A 8 53.711 -6.517 9.049 1.00 1.00 H new ATOM 125 N GLU A 9 55.826 -8.618 6.360 1.00 1.00 N ATOM 126 CA GLU A 9 55.748 -10.084 6.103 1.00 1.00 C ATOM 127 C GLU A 9 57.072 -10.570 5.508 1.00 1.00 C ATOM 128 O GLU A 9 57.608 -9.975 4.594 1.00 1.00 O ATOM 129 CB GLU A 9 54.612 -10.369 5.118 1.00 1.00 C ATOM 130 CG GLU A 9 54.305 -11.868 5.112 1.00 1.00 C ATOM 131 CD GLU A 9 53.134 -12.146 4.168 1.00 1.00 C ATOM 132 OE1 GLU A 9 52.400 -11.216 3.876 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.991 -13.284 3.752 1.00 1.00 O ATOM 0 H GLU A 9 56.519 -8.116 5.805 1.00 1.00 H new ATOM 0 HA GLU A 9 55.557 -10.607 7.040 1.00 1.00 H new ATOM 0 HB2 GLU A 9 53.722 -9.806 5.400 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.893 -10.041 4.117 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.184 -12.429 4.793 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.061 -12.204 6.120 1.00 1.00 H new ATOM 140 N CYS A 10 57.602 -11.647 6.020 1.00 1.00 N ATOM 141 CA CYS A 10 58.889 -12.173 5.485 1.00 1.00 C ATOM 142 C CYS A 10 58.614 -13.003 4.227 1.00 1.00 C ATOM 143 O CYS A 10 59.386 -13.866 3.860 1.00 1.00 O ATOM 144 CB CYS A 10 59.561 -13.048 6.550 1.00 1.00 C ATOM 145 SG CYS A 10 61.006 -12.185 7.216 1.00 1.00 S ATOM 0 H CYS A 10 57.199 -12.186 6.786 1.00 1.00 H new ATOM 0 HA CYS A 10 59.550 -11.344 5.231 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.856 -13.271 7.351 1.00 1.00 H new ATOM 0 HB3 CYS A 10 59.862 -14.002 6.116 1.00 1.00 H new ATOM 150 N ARG A 11 57.520 -12.745 3.563 1.00 1.00 N ATOM 151 CA ARG A 11 57.196 -13.517 2.330 1.00 1.00 C ATOM 152 C ARG A 11 58.436 -13.600 1.437 1.00 1.00 C ATOM 153 O ARG A 11 58.705 -12.716 0.648 1.00 1.00 O ATOM 154 CB ARG A 11 56.064 -12.816 1.570 1.00 1.00 C ATOM 155 CG ARG A 11 55.455 -13.779 0.549 1.00 1.00 C ATOM 156 CD ARG A 11 54.238 -14.473 1.164 1.00 1.00 C ATOM 157 NE ARG A 11 54.668 -15.281 2.340 1.00 1.00 N ATOM 158 CZ ARG A 11 55.217 -16.451 2.161 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.389 -16.914 0.954 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.594 -17.159 3.191 1.00 1.00 N ATOM 0 H ARG A 11 56.837 -12.033 3.821 1.00 1.00 H new ATOM 0 HA ARG A 11 56.880 -14.523 2.605 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.298 -12.479 2.269 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.447 -11.929 1.065 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.162 -13.236 -0.349 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.195 -14.520 0.246 1.00 1.00 H new ATOM 0 HD2 ARG A 11 53.499 -13.732 1.469 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.759 -15.114 0.424 1.00 1.00 H new ATOM 0 HE ARG A 11 54.533 -14.920 3.284 1.00 1.00 H new ATOM 0 HH11 ARG A 11 55.094 -16.361 0.149 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.818 -17.829 0.815 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.459 -16.797 4.135 1.00 1.00 H new ATOM 0 HH22 ARG A 11 56.023 -18.074 3.052 1.00 1.00 H new ATOM 174 N SER A 12 59.193 -14.656 1.557 1.00 1.00 N ATOM 175 CA SER A 12 60.416 -14.796 0.717 1.00 1.00 C ATOM 176 C SER A 12 60.982 -16.208 0.875 1.00 1.00 C ATOM 177 O SER A 12 61.275 -16.651 1.968 1.00 1.00 O ATOM 178 CB SER A 12 61.461 -13.774 1.165 1.00 1.00 C ATOM 179 OG SER A 12 61.082 -12.484 0.706 1.00 1.00 O ATOM 0 H SER A 12 59.018 -15.428 2.200 1.00 1.00 H new ATOM 0 HA SER A 12 60.162 -14.621 -0.328 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.546 -13.776 2.252 1.00 1.00 H new ATOM 0 HB3 SER A 12 62.441 -14.041 0.768 1.00 1.00 H new ATOM 0 HG SER A 12 60.197 -12.532 0.288 1.00 1.00 H new ATOM 185 N ALA A 13 61.137 -16.920 -0.207 1.00 1.00 N ATOM 186 CA ALA A 13 61.684 -18.303 -0.117 1.00 1.00 C ATOM 187 C ALA A 13 62.050 -18.799 -1.517 1.00 1.00 C ATOM 188 O ALA A 13 62.959 -19.587 -1.689 1.00 1.00 O ATOM 189 CB ALA A 13 60.629 -19.229 0.493 1.00 1.00 C ATOM 0 H ALA A 13 60.909 -16.604 -1.149 1.00 1.00 H new ATOM 0 HA ALA A 13 62.574 -18.302 0.512 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.028 -20.241 0.559 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.368 -18.876 1.491 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.739 -19.230 -0.136 1.00 1.00 H new ATOM 195 N THR A 14 61.349 -18.345 -2.520 1.00 1.00 N ATOM 196 CA THR A 14 61.658 -18.791 -3.907 1.00 1.00 C ATOM 197 C THR A 14 62.935 -18.100 -4.393 1.00 1.00 C ATOM 198 O THR A 14 63.110 -17.854 -5.569 1.00 1.00 O ATOM 199 CB THR A 14 60.495 -18.424 -4.832 1.00 1.00 C ATOM 200 OG1 THR A 14 60.150 -17.060 -4.637 1.00 1.00 O ATOM 201 CG2 THR A 14 59.288 -19.309 -4.514 1.00 1.00 C ATOM 0 H THR A 14 60.576 -17.685 -2.438 1.00 1.00 H new ATOM 0 HA THR A 14 61.803 -19.871 -3.917 1.00 1.00 H new ATOM 0 HB THR A 14 60.792 -18.579 -5.869 1.00 1.00 H new ATOM 0 HG1 THR A 14 59.407 -16.823 -5.230 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.461 -19.047 -5.173 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.554 -20.355 -4.665 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.988 -19.157 -3.477 1.00 1.00 H new ATOM 209 N ARG A 15 63.828 -17.785 -3.494 1.00 1.00 N ATOM 210 CA ARG A 15 65.093 -17.111 -3.902 1.00 1.00 C ATOM 211 C ARG A 15 64.771 -15.945 -4.842 1.00 1.00 C ATOM 212 O ARG A 15 64.032 -15.045 -4.495 1.00 1.00 O ATOM 213 CB ARG A 15 66.001 -18.119 -4.612 1.00 1.00 C ATOM 214 CG ARG A 15 67.433 -17.582 -4.646 1.00 1.00 C ATOM 215 CD ARG A 15 68.358 -18.632 -5.266 1.00 1.00 C ATOM 216 NE ARG A 15 68.550 -18.334 -6.713 1.00 1.00 N ATOM 217 CZ ARG A 15 68.946 -19.274 -7.526 1.00 1.00 C ATOM 218 NH1 ARG A 15 69.173 -20.476 -7.072 1.00 1.00 N ATOM 219 NH2 ARG A 15 69.114 -19.012 -8.793 1.00 1.00 N ATOM 0 H ARG A 15 63.736 -17.966 -2.494 1.00 1.00 H new ATOM 0 HA ARG A 15 65.605 -16.727 -3.019 1.00 1.00 H new ATOM 0 HB2 ARG A 15 65.973 -19.077 -4.094 1.00 1.00 H new ATOM 0 HB3 ARG A 15 65.643 -18.295 -5.626 1.00 1.00 H new ATOM 0 HG2 ARG A 15 67.473 -16.659 -5.225 1.00 1.00 H new ATOM 0 HG3 ARG A 15 67.766 -17.339 -3.637 1.00 1.00 H new ATOM 0 HD2 ARG A 15 69.320 -18.633 -4.753 1.00 1.00 H new ATOM 0 HD3 ARG A 15 67.930 -19.627 -5.142 1.00 1.00 H new ATOM 0 HE ARG A 15 68.372 -17.395 -7.068 1.00 1.00 H new ATOM 0 HH11 ARG A 15 69.041 -20.680 -6.081 1.00 1.00 H new ATOM 0 HH12 ARG A 15 69.483 -21.211 -7.708 1.00 1.00 H new ATOM 0 HH21 ARG A 15 68.936 -18.072 -9.147 1.00 1.00 H new ATOM 0 HH22 ARG A 15 69.424 -19.747 -9.429 1.00 1.00 H new ATOM 233 N VAL A 16 65.319 -15.951 -6.029 1.00 1.00 N ATOM 234 CA VAL A 16 65.040 -14.841 -6.986 1.00 1.00 C ATOM 235 C VAL A 16 63.541 -14.532 -6.990 1.00 1.00 C ATOM 236 O VAL A 16 62.759 -15.212 -7.624 1.00 1.00 O ATOM 237 CB VAL A 16 65.480 -15.256 -8.391 1.00 1.00 C ATOM 238 CG1 VAL A 16 65.354 -14.063 -9.340 1.00 1.00 C ATOM 239 CG2 VAL A 16 66.937 -15.722 -8.351 1.00 1.00 C ATOM 0 H VAL A 16 65.947 -16.676 -6.376 1.00 1.00 H new ATOM 0 HA VAL A 16 65.592 -13.952 -6.680 1.00 1.00 H new ATOM 0 HB VAL A 16 64.846 -16.069 -8.744 1.00 1.00 H new ATOM 0 HG11 VAL A 16 65.668 -14.360 -10.341 1.00 1.00 H new ATOM 0 HG12 VAL A 16 64.317 -13.729 -9.369 1.00 1.00 H new ATOM 0 HG13 VAL A 16 65.988 -13.249 -8.987 1.00 1.00 H new ATOM 0 HG21 VAL A 16 67.252 -16.018 -9.352 1.00 1.00 H new ATOM 0 HG22 VAL A 16 67.570 -14.908 -7.997 1.00 1.00 H new ATOM 0 HG23 VAL A 16 67.029 -16.572 -7.675 1.00 1.00 H new ATOM 249 N MET A 17 63.135 -13.514 -6.283 1.00 1.00 N ATOM 250 CA MET A 17 61.688 -13.163 -6.241 1.00 1.00 C ATOM 251 C MET A 17 61.309 -12.385 -7.503 1.00 1.00 C ATOM 252 O MET A 17 60.553 -12.855 -8.330 1.00 1.00 O ATOM 253 CB MET A 17 61.410 -12.300 -5.009 1.00 1.00 C ATOM 254 CG MET A 17 59.937 -11.888 -4.995 1.00 1.00 C ATOM 255 SD MET A 17 59.495 -11.282 -3.347 1.00 1.00 S ATOM 256 CE MET A 17 60.789 -10.023 -3.215 1.00 1.00 C ATOM 0 H MET A 17 63.744 -12.909 -5.732 1.00 1.00 H new ATOM 0 HA MET A 17 61.096 -14.077 -6.189 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.652 -12.854 -4.102 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.046 -11.415 -5.021 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.758 -11.112 -5.739 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.308 -12.737 -5.263 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.493 -9.273 -2.482 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.721 -10.491 -2.899 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.933 -9.546 -4.185 1.00 1.00 H new ATOM 266 N GLY A 18 61.825 -11.196 -7.657 1.00 1.00 N ATOM 267 CA GLY A 18 61.489 -10.390 -8.864 1.00 1.00 C ATOM 268 C GLY A 18 60.068 -9.840 -8.728 1.00 1.00 C ATOM 269 O GLY A 18 59.685 -9.335 -7.692 1.00 1.00 O ATOM 0 H GLY A 18 62.464 -10.749 -7.000 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.199 -9.570 -8.977 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.568 -11.006 -9.760 1.00 1.00 H new ATOM 273 N GLY A 19 59.282 -9.935 -9.766 1.00 1.00 N ATOM 274 CA GLY A 19 57.885 -9.419 -9.692 1.00 1.00 C ATOM 275 C GLY A 19 57.899 -7.981 -9.155 1.00 1.00 C ATOM 276 O GLY A 19 58.555 -7.122 -9.710 1.00 1.00 O ATOM 0 H GLY A 19 59.546 -10.347 -10.661 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.423 -9.446 -10.679 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.285 -10.056 -9.042 1.00 1.00 H new ATOM 280 N PRO A 20 57.186 -7.709 -8.086 1.00 1.00 N ATOM 281 CA PRO A 20 57.134 -6.343 -7.490 1.00 1.00 C ATOM 282 C PRO A 20 58.517 -5.686 -7.428 1.00 1.00 C ATOM 283 O PRO A 20 58.735 -4.623 -7.975 1.00 1.00 O ATOM 284 CB PRO A 20 56.586 -6.589 -6.084 1.00 1.00 C ATOM 285 CG PRO A 20 55.740 -7.813 -6.212 1.00 1.00 C ATOM 286 CD PRO A 20 56.356 -8.662 -7.331 1.00 1.00 C ATOM 0 HA PRO A 20 56.524 -5.660 -8.081 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.392 -6.739 -5.366 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.001 -5.739 -5.733 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.718 -8.367 -5.274 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.710 -7.548 -6.450 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.954 -9.480 -6.928 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.588 -9.109 -7.962 1.00 1.00 H new ATOM 294 N CYS A 21 59.453 -6.313 -6.769 1.00 1.00 N ATOM 295 CA CYS A 21 60.819 -5.725 -6.677 1.00 1.00 C ATOM 296 C CYS A 21 61.426 -5.634 -8.080 1.00 1.00 C ATOM 297 O CYS A 21 61.942 -6.599 -8.608 1.00 1.00 O ATOM 298 CB CYS A 21 61.698 -6.614 -5.789 1.00 1.00 C ATOM 299 SG CYS A 21 62.348 -5.636 -4.411 1.00 1.00 S ATOM 0 H CYS A 21 59.331 -7.206 -6.291 1.00 1.00 H new ATOM 0 HA CYS A 21 60.761 -4.727 -6.242 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.117 -7.455 -5.410 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.519 -7.031 -6.372 1.00 1.00 H new ATOM 304 N THR A 22 61.362 -4.481 -8.691 1.00 1.00 N ATOM 305 CA THR A 22 61.928 -4.325 -10.062 1.00 1.00 C ATOM 306 C THR A 22 62.569 -2.937 -10.195 1.00 1.00 C ATOM 307 O THR A 22 61.878 -1.949 -10.345 1.00 1.00 O ATOM 308 CB THR A 22 60.802 -4.459 -11.090 1.00 1.00 C ATOM 309 OG1 THR A 22 60.157 -5.713 -10.922 1.00 1.00 O ATOM 310 CG2 THR A 22 61.383 -4.367 -12.502 1.00 1.00 C ATOM 0 H THR A 22 60.941 -3.639 -8.299 1.00 1.00 H new ATOM 0 HA THR A 22 62.681 -5.094 -10.236 1.00 1.00 H new ATOM 0 HB THR A 22 60.080 -3.656 -10.945 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.510 -5.652 -10.188 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.580 -4.463 -13.233 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.877 -3.404 -12.630 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.106 -5.169 -12.651 1.00 1.00 H new ATOM 318 N PRO A 23 63.878 -2.856 -10.143 1.00 1.00 N ATOM 319 CA PRO A 23 64.601 -1.556 -10.264 1.00 1.00 C ATOM 320 C PRO A 23 64.110 -0.733 -11.460 1.00 1.00 C ATOM 321 O PRO A 23 63.139 -1.078 -12.104 1.00 1.00 O ATOM 322 CB PRO A 23 66.063 -1.967 -10.457 1.00 1.00 C ATOM 323 CG PRO A 23 66.176 -3.314 -9.822 1.00 1.00 C ATOM 324 CD PRO A 23 64.806 -3.984 -9.963 1.00 1.00 C ATOM 0 HA PRO A 23 64.443 -0.920 -9.393 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.325 -2.006 -11.514 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.739 -1.252 -9.988 1.00 1.00 H new ATOM 0 HG2 PRO A 23 66.949 -3.908 -10.309 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.457 -3.225 -8.773 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.779 -4.663 -10.815 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.555 -4.571 -9.079 1.00 1.00 H new ATOM 332 N ARG A 24 64.774 0.348 -11.765 1.00 1.00 N ATOM 333 CA ARG A 24 64.345 1.183 -12.921 1.00 1.00 C ATOM 334 C ARG A 24 64.344 0.326 -14.189 1.00 1.00 C ATOM 335 O ARG A 24 63.544 -0.577 -14.336 1.00 1.00 O ATOM 336 CB ARG A 24 65.315 2.355 -13.090 1.00 1.00 C ATOM 337 CG ARG A 24 65.409 3.134 -11.776 1.00 1.00 C ATOM 338 CD ARG A 24 66.396 4.291 -11.938 1.00 1.00 C ATOM 339 NE ARG A 24 66.813 4.780 -10.594 1.00 1.00 N ATOM 340 CZ ARG A 24 67.362 5.957 -10.468 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.546 6.707 -11.521 1.00 1.00 N ATOM 342 NH2 ARG A 24 67.727 6.385 -9.291 1.00 1.00 N ATOM 0 H ARG A 24 65.594 0.689 -11.264 1.00 1.00 H new ATOM 0 HA ARG A 24 63.341 1.570 -12.744 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.300 1.987 -13.378 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.973 3.011 -13.890 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.427 3.516 -11.496 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.735 2.474 -10.972 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.268 3.963 -12.504 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.935 5.100 -12.504 1.00 1.00 H new ATOM 0 HE ARG A 24 66.669 4.194 -9.771 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.261 6.373 -12.441 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.975 7.627 -11.423 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.583 5.799 -8.468 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.156 7.305 -9.193 1.00 1.00 H new ATOM 356 N LYS A 25 65.239 0.594 -15.105 1.00 1.00 N ATOM 357 CA LYS A 25 65.294 -0.215 -16.360 1.00 1.00 C ATOM 358 C LYS A 25 66.540 -1.108 -16.320 1.00 1.00 C ATOM 359 O LYS A 25 66.560 -2.183 -16.887 1.00 1.00 O ATOM 360 CB LYS A 25 65.341 0.706 -17.599 1.00 1.00 C ATOM 361 CG LYS A 25 65.435 2.167 -17.154 1.00 1.00 C ATOM 362 CD LYS A 25 64.044 2.675 -16.771 1.00 1.00 C ATOM 363 CE LYS A 25 64.086 4.194 -16.594 1.00 1.00 C ATOM 364 NZ LYS A 25 65.410 4.593 -16.037 1.00 1.00 N ATOM 0 H LYS A 25 65.934 1.338 -15.038 1.00 1.00 H new ATOM 0 HA LYS A 25 64.398 -0.832 -16.431 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.198 0.450 -18.222 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.449 0.558 -18.208 1.00 1.00 H new ATOM 0 HG2 LYS A 25 66.113 2.257 -16.305 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.848 2.777 -17.957 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.322 2.408 -17.543 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.713 2.200 -15.848 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.919 4.687 -17.552 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.287 4.515 -15.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.327 5.521 -15.575 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.721 3.886 -15.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.107 4.651 -16.806 1.00 1.00 H new ATOM 378 N GLY A 26 67.576 -0.675 -15.641 1.00 1.00 N ATOM 379 CA GLY A 26 68.816 -1.502 -15.549 1.00 1.00 C ATOM 380 C GLY A 26 69.986 -0.885 -16.341 1.00 1.00 C ATOM 381 O GLY A 26 70.953 -1.564 -16.622 1.00 1.00 O ATOM 0 H GLY A 26 67.614 0.217 -15.147 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.103 -1.608 -14.503 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.612 -2.504 -15.927 1.00 1.00 H new ATOM 385 N PRO A 27 69.926 0.377 -16.696 1.00 1.00 N ATOM 386 CA PRO A 27 71.030 1.035 -17.455 1.00 1.00 C ATOM 387 C PRO A 27 72.403 0.761 -16.820 1.00 1.00 C ATOM 388 O PRO A 27 72.553 0.836 -15.617 1.00 1.00 O ATOM 389 CB PRO A 27 70.697 2.527 -17.369 1.00 1.00 C ATOM 390 CG PRO A 27 69.218 2.587 -17.162 1.00 1.00 C ATOM 391 CD PRO A 27 68.819 1.306 -16.421 1.00 1.00 C ATOM 0 HA PRO A 27 71.097 0.663 -18.477 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.230 3.002 -16.545 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.989 3.049 -18.281 1.00 1.00 H new ATOM 0 HG2 PRO A 27 68.945 3.469 -16.583 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.697 2.659 -18.117 1.00 1.00 H new ATOM 0 HD2 PRO A 27 68.703 1.483 -15.352 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.869 0.914 -16.784 1.00 1.00 H new ATOM 399 N PRO A 28 73.402 0.454 -17.613 1.00 1.00 N ATOM 400 CA PRO A 28 74.770 0.181 -17.094 1.00 1.00 C ATOM 401 C PRO A 28 75.158 1.152 -15.975 1.00 1.00 C ATOM 402 O PRO A 28 74.942 2.344 -16.076 1.00 1.00 O ATOM 403 CB PRO A 28 75.659 0.382 -18.321 1.00 1.00 C ATOM 404 CG PRO A 28 74.791 0.035 -19.487 1.00 1.00 C ATOM 405 CD PRO A 28 73.344 0.336 -19.079 1.00 1.00 C ATOM 0 HA PRO A 28 74.858 -0.812 -16.654 1.00 1.00 H new ATOM 0 HB2 PRO A 28 76.016 1.410 -18.386 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.540 -0.259 -18.280 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.073 0.618 -20.364 1.00 1.00 H new ATOM 0 HG3 PRO A 28 74.905 -1.016 -19.753 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.983 1.256 -19.539 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.668 -0.461 -19.388 1.00 1.00 H new ATOM 413 N LYS A 29 75.719 0.657 -14.906 1.00 1.00 N ATOM 414 CA LYS A 29 76.104 1.563 -13.788 1.00 1.00 C ATOM 415 C LYS A 29 74.914 2.464 -13.448 1.00 1.00 C ATOM 416 O LYS A 29 73.922 2.017 -12.910 1.00 1.00 O ATOM 417 CB LYS A 29 77.301 2.421 -14.214 1.00 1.00 C ATOM 418 CG LYS A 29 78.591 1.613 -14.059 1.00 1.00 C ATOM 419 CD LYS A 29 78.424 0.250 -14.734 1.00 1.00 C ATOM 420 CE LYS A 29 79.794 -0.410 -14.897 1.00 1.00 C ATOM 421 NZ LYS A 29 80.680 -0.001 -13.771 1.00 1.00 N ATOM 0 H LYS A 29 75.927 -0.331 -14.759 1.00 1.00 H new ATOM 0 HA LYS A 29 76.381 0.976 -12.912 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.182 2.741 -15.249 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.350 3.324 -13.605 1.00 1.00 H new ATOM 0 HG2 LYS A 29 79.426 2.152 -14.506 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.825 1.481 -13.003 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.771 -0.386 -14.136 1.00 1.00 H new ATOM 0 HD3 LYS A 29 77.948 0.370 -15.707 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.687 -1.495 -14.914 1.00 1.00 H new ATOM 0 HE3 LYS A 29 80.239 -0.118 -15.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 81.507 -0.630 -13.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.997 0.979 -13.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 80.155 -0.065 -12.875 1.00 1.00 H new ATOM 435 N CYS A 30 75.001 3.727 -13.767 1.00 1.00 N ATOM 436 CA CYS A 30 73.870 4.650 -13.469 1.00 1.00 C ATOM 437 C CYS A 30 74.298 6.091 -13.756 1.00 1.00 C ATOM 438 O CYS A 30 74.310 6.529 -14.890 1.00 1.00 O ATOM 439 CB CYS A 30 73.472 4.516 -11.996 1.00 1.00 C ATOM 440 SG CYS A 30 74.941 4.146 -11.005 1.00 1.00 S ATOM 0 H CYS A 30 75.806 4.159 -14.221 1.00 1.00 H new ATOM 0 HA CYS A 30 73.017 4.393 -14.098 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.009 5.439 -11.648 1.00 1.00 H new ATOM 0 HB3 CYS A 30 72.732 3.724 -11.879 1.00 1.00 H new ATOM 445 N LYS A 31 74.645 6.835 -12.739 1.00 1.00 N ATOM 446 CA LYS A 31 75.065 8.249 -12.959 1.00 1.00 C ATOM 447 C LYS A 31 75.544 8.858 -11.638 1.00 1.00 C ATOM 448 O LYS A 31 75.164 9.956 -11.281 1.00 1.00 O ATOM 449 CB LYS A 31 73.871 9.055 -13.482 1.00 1.00 C ATOM 450 CG LYS A 31 72.731 9.001 -12.463 1.00 1.00 C ATOM 451 CD LYS A 31 71.395 9.204 -13.180 1.00 1.00 C ATOM 452 CE LYS A 31 71.399 10.557 -13.895 1.00 1.00 C ATOM 453 NZ LYS A 31 69.999 10.952 -14.219 1.00 1.00 N ATOM 0 H LYS A 31 74.656 6.525 -11.767 1.00 1.00 H new ATOM 0 HA LYS A 31 75.877 8.276 -13.685 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.166 10.089 -13.658 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.537 8.652 -14.438 1.00 1.00 H new ATOM 0 HG2 LYS A 31 72.736 8.041 -11.946 1.00 1.00 H new ATOM 0 HG3 LYS A 31 72.870 9.772 -11.705 1.00 1.00 H new ATOM 0 HD2 LYS A 31 71.231 8.401 -13.899 1.00 1.00 H new ATOM 0 HD3 LYS A 31 70.575 9.162 -12.463 1.00 1.00 H new ATOM 0 HE2 LYS A 31 71.864 11.313 -13.263 1.00 1.00 H new ATOM 0 HE3 LYS A 31 71.992 10.496 -14.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 70.001 11.871 -14.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 69.570 10.234 -14.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 69.447 11.026 -13.341 1.00 1.00 H new ATOM 467 N GLN A 32 76.374 8.158 -10.909 1.00 1.00 N ATOM 468 CA GLN A 32 76.875 8.701 -9.609 1.00 1.00 C ATOM 469 C GLN A 32 78.399 8.561 -9.547 1.00 1.00 C ATOM 470 O GLN A 32 78.924 7.502 -9.265 1.00 1.00 O ATOM 471 CB GLN A 32 76.240 7.921 -8.451 1.00 1.00 C ATOM 472 CG GLN A 32 74.864 8.509 -8.131 1.00 1.00 C ATOM 473 CD GLN A 32 75.034 9.788 -7.309 1.00 1.00 C ATOM 474 OE1 GLN A 32 75.270 10.848 -7.853 1.00 1.00 O ATOM 475 NE2 GLN A 32 74.923 9.733 -6.009 1.00 1.00 N ATOM 0 H GLN A 32 76.727 7.234 -11.157 1.00 1.00 H new ATOM 0 HA GLN A 32 76.606 9.754 -9.528 1.00 1.00 H new ATOM 0 HB2 GLN A 32 76.144 6.868 -8.717 1.00 1.00 H new ATOM 0 HB3 GLN A 32 76.881 7.970 -7.571 1.00 1.00 H new ATOM 0 HG2 GLN A 32 74.326 8.726 -9.054 1.00 1.00 H new ATOM 0 HG3 GLN A 32 74.267 7.785 -7.577 1.00 1.00 H new ATOM 0 HE22 GLN A 32 75.034 10.580 -5.451 1.00 1.00 H new ATOM 484 N ARG A 33 79.110 9.626 -9.804 1.00 1.00 N ATOM 485 CA ARG A 33 80.600 9.566 -9.757 1.00 1.00 C ATOM 486 C ARG A 33 81.146 10.947 -9.383 1.00 1.00 C ATOM 487 O ARG A 33 81.474 11.745 -10.239 1.00 1.00 O ATOM 488 CB ARG A 33 81.144 9.163 -11.132 1.00 1.00 C ATOM 489 CG ARG A 33 80.782 7.705 -11.421 1.00 1.00 C ATOM 490 CD ARG A 33 81.741 7.139 -12.470 1.00 1.00 C ATOM 491 NE ARG A 33 82.216 8.240 -13.355 1.00 1.00 N ATOM 492 CZ ARG A 33 83.372 8.144 -13.953 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.111 7.083 -13.778 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.788 9.109 -14.728 1.00 1.00 N ATOM 0 H ARG A 33 78.722 10.538 -10.045 1.00 1.00 H new ATOM 0 HA ARG A 33 80.911 8.830 -9.015 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.728 9.811 -11.903 1.00 1.00 H new ATOM 0 HB3 ARG A 33 82.226 9.291 -11.158 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.840 7.117 -10.505 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.755 7.638 -11.779 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.589 6.659 -11.982 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.239 6.373 -13.062 1.00 1.00 H new ATOM 0 HE ARG A 33 81.638 9.069 -13.493 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.785 6.329 -13.174 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.014 7.008 -14.245 1.00 1.00 H new ATOM 0 HH21 ARG A 33 83.209 9.938 -14.866 1.00 1.00 H new ATOM 0 HH22 ARG A 33 84.691 9.034 -15.195 1.00 1.00 H new ATOM 508 N GLN A 34 81.241 11.235 -8.111 1.00 1.00 N ATOM 509 CA GLN A 34 81.760 12.567 -7.677 1.00 1.00 C ATOM 510 C GLN A 34 83.100 12.388 -6.958 1.00 1.00 C ATOM 511 O GLN A 34 83.707 13.341 -6.512 1.00 1.00 O ATOM 512 CB GLN A 34 80.753 13.216 -6.725 1.00 1.00 C ATOM 513 CG GLN A 34 79.563 13.748 -7.526 1.00 1.00 C ATOM 514 CD GLN A 34 78.581 14.444 -6.582 1.00 1.00 C ATOM 515 OE1 GLN A 34 77.571 13.880 -6.213 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.838 15.656 -6.172 1.00 1.00 N ATOM 0 H GLN A 34 80.981 10.604 -7.353 1.00 1.00 H new ATOM 0 HA GLN A 34 81.902 13.204 -8.550 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.413 12.489 -5.988 1.00 1.00 H new ATOM 0 HB3 GLN A 34 81.228 14.029 -6.176 1.00 1.00 H new ATOM 0 HG2 GLN A 34 79.908 14.447 -8.288 1.00 1.00 H new ATOM 0 HG3 GLN A 34 79.066 12.929 -8.046 1.00 1.00 H new ATOM 0 HE21 GLN A 34 79.686 16.130 -6.482 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.191 16.129 -5.542 1.00 1.00 H new ATOM 525 N THR A 35 83.569 11.175 -6.846 1.00 1.00 N ATOM 526 CA THR A 35 84.872 10.936 -6.161 1.00 1.00 C ATOM 527 C THR A 35 85.585 9.760 -6.833 1.00 1.00 C ATOM 528 O THR A 35 86.320 9.025 -6.204 1.00 1.00 O ATOM 529 CB THR A 35 84.624 10.611 -4.683 1.00 1.00 C ATOM 530 OG1 THR A 35 83.585 11.442 -4.185 1.00 1.00 O ATOM 531 CG2 THR A 35 85.904 10.856 -3.883 1.00 1.00 C ATOM 0 H THR A 35 83.106 10.338 -7.200 1.00 1.00 H new ATOM 0 HA THR A 35 85.493 11.829 -6.232 1.00 1.00 H new ATOM 0 HB THR A 35 84.332 9.565 -4.585 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.424 11.234 -3.241 1.00 1.00 H new ATOM 0 HG21 THR A 35 85.727 10.625 -2.833 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.700 10.217 -4.266 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.199 11.901 -3.980 1.00 1.00 H new ATOM 539 N ARG A 36 85.369 9.577 -8.107 1.00 1.00 N ATOM 540 CA ARG A 36 86.030 8.449 -8.823 1.00 1.00 C ATOM 541 C ARG A 36 85.766 7.145 -8.071 1.00 1.00 C ATOM 542 O ARG A 36 84.823 6.434 -8.354 1.00 1.00 O ATOM 543 CB ARG A 36 87.538 8.704 -8.896 1.00 1.00 C ATOM 544 CG ARG A 36 87.826 9.751 -9.973 1.00 1.00 C ATOM 545 CD ARG A 36 89.305 10.141 -9.924 1.00 1.00 C ATOM 546 NE ARG A 36 89.546 11.026 -8.750 1.00 1.00 N ATOM 547 CZ ARG A 36 90.761 11.402 -8.455 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.764 11.002 -9.188 1.00 1.00 N ATOM 549 NH2 ARG A 36 90.972 12.177 -7.426 1.00 1.00 N ATOM 0 H ARG A 36 84.763 10.160 -8.684 1.00 1.00 H new ATOM 0 HA ARG A 36 85.627 8.373 -9.833 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.906 9.049 -7.930 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.064 7.777 -9.125 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.576 9.354 -10.957 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.202 10.631 -9.816 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.926 9.248 -9.853 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.588 10.653 -10.844 1.00 1.00 H new ATOM 0 HE ARG A 36 88.762 11.338 -8.177 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.599 10.396 -9.991 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.713 11.296 -8.958 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.188 12.489 -6.853 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.921 12.471 -7.195 1.00 1.00 H new ATOM 563 N GLN A 37 86.592 6.825 -7.115 1.00 1.00 N ATOM 564 CA GLN A 37 86.388 5.566 -6.344 1.00 1.00 C ATOM 565 C GLN A 37 87.366 5.531 -5.166 1.00 1.00 C ATOM 566 O GLN A 37 87.624 4.492 -4.592 1.00 1.00 O ATOM 567 CB GLN A 37 86.637 4.360 -7.265 1.00 1.00 C ATOM 568 CG GLN A 37 85.346 3.552 -7.412 1.00 1.00 C ATOM 569 CD GLN A 37 85.520 2.507 -8.516 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.714 2.260 -8.981 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 84.560 1.909 -8.960 1.00 1.00 N flip ATOM 0 H GLN A 37 87.400 7.380 -6.834 1.00 1.00 H new ATOM 0 HA GLN A 37 85.367 5.525 -5.966 1.00 1.00 H new ATOM 0 HB2 GLN A 37 86.978 4.700 -8.243 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.426 3.732 -6.853 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.101 3.063 -6.469 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.515 4.215 -7.652 1.00 1.00 H new ATOM 0 HE21 GLN A 37 83.627 2.102 -8.597 1.00 1.00 H new ATOM 0 HE22 GLN A 37 84.688 1.214 -9.696 1.00 1.00 H new ATOM 580 N CYS A 38 87.914 6.659 -4.802 1.00 1.00 N ATOM 581 CA CYS A 38 88.874 6.685 -3.663 1.00 1.00 C ATOM 582 C CYS A 38 89.920 5.585 -3.857 1.00 1.00 C ATOM 583 O CYS A 38 89.718 4.449 -3.477 1.00 1.00 O ATOM 584 CB CYS A 38 88.118 6.450 -2.353 1.00 1.00 C ATOM 585 SG CYS A 38 87.389 8.008 -1.789 1.00 1.00 S ATOM 0 H CYS A 38 87.738 7.562 -5.244 1.00 1.00 H new ATOM 0 HA CYS A 38 89.370 7.655 -3.624 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.338 5.703 -2.500 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.796 6.058 -1.595 1.00 1.00 H new ATOM 590 N LYS A 39 91.036 5.914 -4.451 1.00 1.00 N ATOM 591 CA LYS A 39 92.095 4.890 -4.676 1.00 1.00 C ATOM 592 C LYS A 39 92.294 4.064 -3.403 1.00 1.00 C ATOM 593 O LYS A 39 92.563 2.880 -3.456 1.00 1.00 O ATOM 594 CB LYS A 39 93.407 5.589 -5.043 1.00 1.00 C ATOM 595 CG LYS A 39 93.577 6.842 -4.181 1.00 1.00 C ATOM 596 CD LYS A 39 94.960 7.448 -4.428 1.00 1.00 C ATOM 597 CE LYS A 39 95.015 8.855 -3.830 1.00 1.00 C ATOM 598 NZ LYS A 39 94.839 8.775 -2.353 1.00 1.00 N ATOM 0 H LYS A 39 91.259 6.850 -4.790 1.00 1.00 H new ATOM 0 HA LYS A 39 91.793 4.229 -5.489 1.00 1.00 H new ATOM 0 HB2 LYS A 39 94.247 4.912 -4.889 1.00 1.00 H new ATOM 0 HB3 LYS A 39 93.404 5.859 -6.099 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.801 7.569 -4.421 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.462 6.589 -3.127 1.00 1.00 H new ATOM 0 HD2 LYS A 39 95.729 6.820 -3.979 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.166 7.488 -5.498 1.00 1.00 H new ATOM 0 HE2 LYS A 39 95.969 9.326 -4.068 1.00 1.00 H new ATOM 0 HE3 LYS A 39 94.234 9.478 -4.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.109 9.682 -1.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 93.844 8.569 -2.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.442 8.018 -1.972 1.00 1.00 H new ATOM 612 N SER A 40 92.166 4.676 -2.258 1.00 1.00 N ATOM 613 CA SER A 40 92.350 3.919 -0.988 1.00 1.00 C ATOM 614 C SER A 40 92.015 4.820 0.202 1.00 1.00 C ATOM 615 O SER A 40 92.069 4.398 1.339 1.00 1.00 O ATOM 616 CB SER A 40 93.802 3.453 -0.880 1.00 1.00 C ATOM 617 OG SER A 40 94.049 2.991 0.441 1.00 1.00 O ATOM 0 H SER A 40 91.943 5.665 -2.147 1.00 1.00 H new ATOM 0 HA SER A 40 91.687 3.054 -0.984 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.995 2.656 -1.598 1.00 1.00 H new ATOM 0 HB3 SER A 40 94.478 4.272 -1.124 1.00 1.00 H new ATOM 0 HG SER A 40 93.236 3.088 0.979 1.00 1.00 H new ATOM 623 N LYS A 41 91.670 6.057 -0.053 1.00 1.00 N ATOM 624 CA LYS A 41 91.330 6.996 1.060 1.00 1.00 C ATOM 625 C LYS A 41 90.556 6.248 2.154 1.00 1.00 C ATOM 626 O LYS A 41 89.371 6.014 2.026 1.00 1.00 O ATOM 627 CB LYS A 41 90.458 8.128 0.513 1.00 1.00 C ATOM 628 CG LYS A 41 91.313 9.063 -0.345 1.00 1.00 C ATOM 629 CD LYS A 41 90.460 10.241 -0.821 1.00 1.00 C ATOM 630 CE LYS A 41 91.365 11.310 -1.437 1.00 1.00 C ATOM 631 NZ LYS A 41 90.549 12.506 -1.793 1.00 1.00 N ATOM 0 H LYS A 41 91.609 6.459 -0.988 1.00 1.00 H new ATOM 0 HA LYS A 41 92.249 7.403 1.482 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.641 7.718 -0.081 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.006 8.683 1.335 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.164 9.426 0.231 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.715 8.522 -1.201 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.729 9.901 -1.555 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.901 10.660 0.015 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.149 11.588 -0.733 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.859 10.916 -2.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.163 13.233 -2.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.816 12.235 -2.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.097 12.886 -0.937 1.00 1.00 H new ATOM 645 N PRO A 42 91.218 5.871 3.223 1.00 1.00 N ATOM 646 CA PRO A 42 90.574 5.137 4.344 1.00 1.00 C ATOM 647 C PRO A 42 89.932 6.085 5.364 1.00 1.00 C ATOM 648 O PRO A 42 90.267 7.251 5.431 1.00 1.00 O ATOM 649 CB PRO A 42 91.745 4.384 4.973 1.00 1.00 C ATOM 650 CG PRO A 42 92.934 5.260 4.740 1.00 1.00 C ATOM 651 CD PRO A 42 92.649 6.093 3.483 1.00 1.00 C ATOM 0 HA PRO A 42 89.761 4.493 4.008 1.00 1.00 H new ATOM 0 HB2 PRO A 42 91.581 4.216 6.037 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.879 3.405 4.512 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.108 5.908 5.599 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.834 4.659 4.607 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.865 7.149 3.647 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.262 5.769 2.642 1.00 1.00 H new ATOM 659 N PRO A 43 89.021 5.585 6.158 1.00 1.00 N ATOM 660 CA PRO A 43 88.329 6.399 7.198 1.00 1.00 C ATOM 661 C PRO A 43 89.264 6.746 8.361 1.00 1.00 C ATOM 662 O PRO A 43 90.322 6.167 8.509 1.00 1.00 O ATOM 663 CB PRO A 43 87.185 5.496 7.669 1.00 1.00 C ATOM 664 CG PRO A 43 87.640 4.104 7.378 1.00 1.00 C ATOM 665 CD PRO A 43 88.553 4.189 6.153 1.00 1.00 C ATOM 0 HA PRO A 43 87.984 7.357 6.809 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.988 5.632 8.732 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.259 5.726 7.142 1.00 1.00 H new ATOM 0 HG2 PRO A 43 88.174 3.685 8.231 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.789 3.451 7.182 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.385 3.488 6.225 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.014 3.951 5.236 1.00 1.00 H new ATOM 673 N LYS A 44 88.887 7.687 9.184 1.00 1.00 N ATOM 674 CA LYS A 44 89.760 8.069 10.331 1.00 1.00 C ATOM 675 C LYS A 44 90.283 6.807 11.025 1.00 1.00 C ATOM 676 O LYS A 44 91.300 6.259 10.649 1.00 1.00 O ATOM 677 CB LYS A 44 88.958 8.911 11.328 1.00 1.00 C ATOM 678 CG LYS A 44 88.392 10.145 10.623 1.00 1.00 C ATOM 679 CD LYS A 44 86.891 9.959 10.393 1.00 1.00 C ATOM 680 CE LYS A 44 86.129 10.329 11.667 1.00 1.00 C ATOM 681 NZ LYS A 44 84.724 9.843 11.564 1.00 1.00 N ATOM 0 H LYS A 44 88.013 8.207 9.112 1.00 1.00 H new ATOM 0 HA LYS A 44 90.604 8.652 9.963 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.147 8.318 11.750 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.596 9.215 12.158 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.571 11.035 11.226 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.900 10.298 9.671 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.559 10.584 9.564 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.680 8.926 10.118 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.616 9.886 12.536 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.142 11.409 11.810 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.205 10.094 12.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.263 10.285 10.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.722 8.810 11.447 1.00 1.00 H new ATOM 695 N LYS A 45 89.600 6.341 12.035 1.00 1.00 N ATOM 696 CA LYS A 45 90.067 5.116 12.746 1.00 1.00 C ATOM 697 C LYS A 45 89.056 4.735 13.829 1.00 1.00 C ATOM 698 O LYS A 45 89.397 4.591 14.986 1.00 1.00 O ATOM 699 CB LYS A 45 91.428 5.388 13.392 1.00 1.00 C ATOM 700 CG LYS A 45 91.405 6.756 14.077 1.00 1.00 C ATOM 701 CD LYS A 45 92.750 7.008 14.760 1.00 1.00 C ATOM 702 CE LYS A 45 92.724 6.419 16.172 1.00 1.00 C ATOM 703 NZ LYS A 45 91.645 7.074 16.964 1.00 1.00 N ATOM 0 H LYS A 45 88.741 6.754 12.398 1.00 1.00 H new ATOM 0 HA LYS A 45 90.160 4.297 12.033 1.00 1.00 H new ATOM 0 HB2 LYS A 45 91.659 4.610 14.119 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.213 5.361 12.636 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.205 7.538 13.344 1.00 1.00 H new ATOM 0 HG3 LYS A 45 90.600 6.793 14.811 1.00 1.00 H new ATOM 0 HD2 LYS A 45 93.555 6.555 14.180 1.00 1.00 H new ATOM 0 HD3 LYS A 45 92.952 8.078 14.805 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.554 5.343 16.126 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.688 6.569 16.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.913 7.091 17.969 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.509 8.048 16.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.759 6.541 16.851 1.00 1.00 H new ATOM 717 N GLY A 46 87.814 4.570 13.465 1.00 1.00 N ATOM 718 CA GLY A 46 86.787 4.197 14.478 1.00 1.00 C ATOM 719 C GLY A 46 85.390 4.410 13.894 1.00 1.00 C ATOM 720 O GLY A 46 85.144 5.361 13.179 1.00 1.00 O ATOM 0 H GLY A 46 87.467 4.677 12.512 1.00 1.00 H new ATOM 0 HA2 GLY A 46 86.914 3.155 14.773 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.912 4.800 15.377 1.00 1.00 H new ATOM 724 N VAL A 47 84.471 3.530 14.196 1.00 1.00 N ATOM 725 CA VAL A 47 83.083 3.672 13.666 1.00 1.00 C ATOM 726 C VAL A 47 82.092 3.637 14.831 1.00 1.00 C ATOM 727 O VAL A 47 82.052 2.694 15.596 1.00 1.00 O ATOM 728 CB VAL A 47 82.786 2.519 12.703 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.780 2.555 11.541 1.00 1.00 C ATOM 730 CG2 VAL A 47 82.920 1.188 13.446 1.00 1.00 C ATOM 0 H VAL A 47 84.624 2.715 14.790 1.00 1.00 H new ATOM 0 HA VAL A 47 82.987 4.619 13.135 1.00 1.00 H new ATOM 0 HB VAL A 47 81.772 2.621 12.317 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.568 1.734 10.856 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.687 3.503 11.011 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.794 2.453 11.927 1.00 1.00 H new ATOM 0 HG21 VAL A 47 82.709 0.366 12.762 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.934 1.087 13.832 1.00 1.00 H new ATOM 0 HG23 VAL A 47 82.212 1.161 14.275 1.00 1.00 H new ATOM 740 N GLN A 48 81.294 4.659 14.975 1.00 1.00 N ATOM 741 CA GLN A 48 80.311 4.684 16.093 1.00 1.00 C ATOM 742 C GLN A 48 79.366 5.874 15.915 1.00 1.00 C ATOM 743 O GLN A 48 78.519 6.137 16.745 1.00 1.00 O ATOM 744 CB GLN A 48 81.060 4.815 17.424 1.00 1.00 C ATOM 745 CG GLN A 48 80.171 4.313 18.564 1.00 1.00 C ATOM 746 CD GLN A 48 80.913 4.460 19.893 1.00 1.00 C ATOM 747 OE1 GLN A 48 82.094 5.015 19.909 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 80.413 4.067 20.928 1.00 1.00 N flip ATOM 0 H GLN A 48 81.281 5.478 14.367 1.00 1.00 H new ATOM 0 HA GLN A 48 79.732 3.761 16.092 1.00 1.00 H new ATOM 0 HB2 GLN A 48 81.985 4.240 17.390 1.00 1.00 H new ATOM 0 HB3 GLN A 48 81.337 5.855 17.596 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.241 4.880 18.590 1.00 1.00 H new ATOM 0 HG3 GLN A 48 79.904 3.269 18.398 1.00 1.00 H new ATOM 0 HE21 GLN A 48 79.490 3.633 20.916 1.00 1.00 H new ATOM 0 HE22 GLN A 48 80.916 4.171 21.809 1.00 1.00 H new ATOM 757 N GLY A 49 79.503 6.597 14.836 1.00 1.00 N ATOM 758 CA GLY A 49 78.613 7.769 14.606 1.00 1.00 C ATOM 759 C GLY A 49 79.020 8.475 13.311 1.00 1.00 C ATOM 760 O GLY A 49 78.331 9.352 12.828 1.00 1.00 O ATOM 0 H GLY A 49 80.193 6.426 14.105 1.00 1.00 H new ATOM 0 HA2 GLY A 49 77.575 7.443 14.544 1.00 1.00 H new ATOM 0 HA3 GLY A 49 78.681 8.460 15.446 1.00 1.00 H new ATOM 764 N CYS A 50 80.135 8.101 12.746 1.00 1.00 N ATOM 765 CA CYS A 50 80.585 8.751 11.483 1.00 1.00 C ATOM 766 C CYS A 50 80.565 10.270 11.656 1.00 1.00 C ATOM 767 O CYS A 50 81.497 10.859 12.166 1.00 1.00 O ATOM 768 CB CYS A 50 79.644 8.355 10.343 1.00 1.00 C ATOM 769 SG CYS A 50 80.045 9.321 8.866 1.00 1.00 S ATOM 0 H CYS A 50 80.754 7.374 13.104 1.00 1.00 H new ATOM 0 HA CYS A 50 81.598 8.426 11.248 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.740 7.290 10.131 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.608 8.530 10.635 1.00 1.00 H new ATOM 774 N GLY A 51 79.508 10.910 11.236 1.00 1.00 N ATOM 775 CA GLY A 51 79.428 12.391 11.377 1.00 1.00 C ATOM 776 C GLY A 51 78.178 12.905 10.664 1.00 1.00 C ATOM 777 O GLY A 51 77.967 14.095 10.540 1.00 1.00 O ATOM 0 H GLY A 51 78.696 10.471 10.801 1.00 1.00 H new ATOM 0 HA2 GLY A 51 79.397 12.665 12.431 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.318 12.856 10.953 1.00 1.00 H new ATOM 781 N ASP A 52 77.345 12.017 10.192 1.00 1.00 N ATOM 782 CA ASP A 52 76.109 12.456 9.487 1.00 1.00 C ATOM 783 C ASP A 52 76.484 13.398 8.340 1.00 1.00 C ATOM 784 O ASP A 52 75.756 14.314 8.013 1.00 1.00 O ATOM 785 CB ASP A 52 75.193 13.189 10.470 1.00 1.00 C ATOM 786 CG ASP A 52 73.820 13.399 9.829 1.00 1.00 C ATOM 787 OD1 ASP A 52 73.317 12.461 9.232 1.00 1.00 O ATOM 788 OD2 ASP A 52 73.295 14.494 9.946 1.00 1.00 O ATOM 0 H ASP A 52 77.468 11.007 10.265 1.00 1.00 H new ATOM 0 HA ASP A 52 75.590 11.585 9.088 1.00 1.00 H new ATOM 0 HB2 ASP A 52 75.092 12.612 11.389 1.00 1.00 H new ATOM 0 HB3 ASP A 52 75.629 14.150 10.743 1.00 1.00 H new ATOM 793 N ASP A 53 77.615 13.179 7.728 1.00 1.00 N ATOM 794 CA ASP A 53 78.036 14.062 6.604 1.00 1.00 C ATOM 795 C ASP A 53 77.180 13.763 5.371 1.00 1.00 C ATOM 796 O ASP A 53 77.673 13.316 4.354 1.00 1.00 O ATOM 797 CB ASP A 53 79.508 13.804 6.277 1.00 1.00 C ATOM 798 CG ASP A 53 80.345 13.940 7.550 1.00 1.00 C ATOM 799 OD1 ASP A 53 79.858 14.542 8.494 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.458 13.441 7.560 1.00 1.00 O ATOM 0 H ASP A 53 78.265 12.427 7.957 1.00 1.00 H new ATOM 0 HA ASP A 53 77.905 15.105 6.893 1.00 1.00 H new ATOM 0 HB2 ASP A 53 79.628 12.806 5.855 1.00 1.00 H new ATOM 0 HB3 ASP A 53 79.854 14.512 5.524 1.00 1.00 H new ATOM 805 N ILE A 54 75.901 14.010 5.453 1.00 1.00 N ATOM 806 CA ILE A 54 75.010 13.744 4.287 1.00 1.00 C ATOM 807 C ILE A 54 73.844 14.745 4.306 1.00 1.00 C ATOM 808 O ILE A 54 72.984 14.676 5.161 1.00 1.00 O ATOM 809 CB ILE A 54 74.460 12.315 4.385 1.00 1.00 C ATOM 810 CG1 ILE A 54 74.202 11.969 5.853 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.479 11.334 3.803 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.416 10.659 5.939 1.00 1.00 C ATOM 0 H ILE A 54 75.434 14.385 6.278 1.00 1.00 H new ATOM 0 HA ILE A 54 75.572 13.854 3.359 1.00 1.00 H new ATOM 0 HB ILE A 54 73.528 12.245 3.824 1.00 1.00 H new ATOM 0 HG12 ILE A 54 75.148 11.874 6.387 1.00 1.00 H new ATOM 0 HG13 ILE A 54 73.644 12.772 6.334 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.088 10.319 3.873 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.665 11.580 2.758 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.411 11.403 4.363 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.232 10.413 6.985 1.00 1.00 H new ATOM 0 HD12 ILE A 54 72.464 10.771 5.420 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.991 9.859 5.473 1.00 1.00 H new ATOM 824 N PRO A 55 73.811 15.674 3.379 1.00 1.00 N ATOM 825 CA PRO A 55 72.727 16.695 3.315 1.00 1.00 C ATOM 826 C PRO A 55 71.439 16.137 2.700 1.00 1.00 C ATOM 827 O PRO A 55 70.490 16.857 2.464 1.00 1.00 O ATOM 828 CB PRO A 55 73.321 17.791 2.429 1.00 1.00 C ATOM 829 CG PRO A 55 74.288 17.085 1.535 1.00 1.00 C ATOM 830 CD PRO A 55 74.794 15.856 2.299 1.00 1.00 C ATOM 0 HA PRO A 55 72.436 17.046 4.305 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.546 18.295 1.852 1.00 1.00 H new ATOM 0 HB3 PRO A 55 73.820 18.554 3.026 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.805 16.788 0.604 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.117 17.741 1.269 1.00 1.00 H new ATOM 0 HD2 PRO A 55 74.844 14.979 1.654 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.796 16.018 2.696 1.00 1.00 H new ATOM 838 N GLY A 56 71.399 14.858 2.442 1.00 1.00 N ATOM 839 CA GLY A 56 70.172 14.257 1.846 1.00 1.00 C ATOM 840 C GLY A 56 69.157 13.968 2.953 1.00 1.00 C ATOM 841 O GLY A 56 68.063 14.497 2.960 1.00 1.00 O ATOM 0 H GLY A 56 72.162 14.204 2.618 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.741 14.937 1.111 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.424 13.337 1.319 1.00 1.00 H new ATOM 845 N MET A 57 69.512 13.134 3.892 1.00 1.00 N ATOM 846 CA MET A 57 68.568 12.813 5.000 1.00 1.00 C ATOM 847 C MET A 57 67.203 12.442 4.417 1.00 1.00 C ATOM 848 O MET A 57 66.270 13.219 4.455 1.00 1.00 O ATOM 849 CB MET A 57 68.419 14.034 5.910 1.00 1.00 C ATOM 850 CG MET A 57 69.763 14.346 6.571 1.00 1.00 C ATOM 851 SD MET A 57 70.148 13.064 7.789 1.00 1.00 S ATOM 852 CE MET A 57 69.314 13.833 9.199 1.00 1.00 C ATOM 0 H MET A 57 70.415 12.661 3.940 1.00 1.00 H new ATOM 0 HA MET A 57 68.956 11.973 5.577 1.00 1.00 H new ATOM 0 HB2 MET A 57 68.079 14.893 5.331 1.00 1.00 H new ATOM 0 HB3 MET A 57 67.663 13.843 6.672 1.00 1.00 H new ATOM 0 HG2 MET A 57 70.549 14.394 5.817 1.00 1.00 H new ATOM 0 HG3 MET A 57 69.725 15.322 7.054 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.426 13.199 10.078 1.00 1.00 H new ATOM 0 HE2 MET A 57 69.758 14.809 9.396 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.255 13.955 8.973 1.00 1.00 H new ATOM 862 N GLU A 58 67.081 11.256 3.880 1.00 1.00 N ATOM 863 CA GLU A 58 65.778 10.823 3.292 1.00 1.00 C ATOM 864 C GLU A 58 65.218 9.654 4.104 1.00 1.00 C ATOM 865 O GLU A 58 64.069 9.654 4.497 1.00 1.00 O ATOM 866 CB GLU A 58 65.996 10.379 1.844 1.00 1.00 C ATOM 867 CG GLU A 58 66.668 11.507 1.059 1.00 1.00 C ATOM 868 CD GLU A 58 65.768 12.744 1.070 1.00 1.00 C ATOM 869 OE1 GLU A 58 64.564 12.578 0.958 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.297 13.837 1.191 1.00 1.00 O ATOM 0 H GLU A 58 67.830 10.566 3.823 1.00 1.00 H new ATOM 0 HA GLU A 58 65.073 11.654 3.316 1.00 1.00 H new ATOM 0 HB2 GLU A 58 66.616 9.483 1.817 1.00 1.00 H new ATOM 0 HB3 GLU A 58 65.042 10.120 1.384 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.636 11.745 1.500 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.855 11.189 0.033 1.00 1.00 H new ATOM 877 N GLY A 59 66.020 8.656 4.360 1.00 1.00 N ATOM 878 CA GLY A 59 65.530 7.490 5.148 1.00 1.00 C ATOM 879 C GLY A 59 66.420 6.275 4.878 1.00 1.00 C ATOM 880 O GLY A 59 66.222 5.213 5.435 1.00 1.00 O ATOM 0 H GLY A 59 66.992 8.598 4.058 1.00 1.00 H new ATOM 0 HA2 GLY A 59 65.537 7.729 6.212 1.00 1.00 H new ATOM 0 HA3 GLY A 59 64.498 7.264 4.879 1.00 1.00 H new ATOM 884 N CYS A 60 67.400 6.422 4.029 1.00 1.00 N ATOM 885 CA CYS A 60 68.301 5.274 3.727 1.00 1.00 C ATOM 886 C CYS A 60 69.078 4.893 4.988 1.00 1.00 C ATOM 887 O CYS A 60 70.233 5.235 5.144 1.00 1.00 O ATOM 888 CB CYS A 60 69.284 5.673 2.624 1.00 1.00 C ATOM 889 SG CYS A 60 70.270 7.087 3.177 1.00 1.00 S ATOM 0 H CYS A 60 67.616 7.286 3.532 1.00 1.00 H new ATOM 0 HA CYS A 60 67.707 4.423 3.394 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.936 4.834 2.382 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.742 5.928 1.714 1.00 1.00 H new ATOM 894 N GLY A 61 68.450 4.192 5.893 1.00 1.00 N ATOM 895 CA GLY A 61 69.146 3.795 7.149 1.00 1.00 C ATOM 896 C GLY A 61 68.756 4.769 8.258 1.00 1.00 C ATOM 897 O GLY A 61 67.691 4.672 8.832 1.00 1.00 O ATOM 0 H GLY A 61 67.483 3.877 5.816 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.871 2.777 7.427 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.226 3.805 7.001 1.00 1.00 H new ATOM 901 N THR A 62 69.603 5.717 8.556 1.00 1.00 N ATOM 902 CA THR A 62 69.273 6.704 9.623 1.00 1.00 C ATOM 903 C THR A 62 69.257 5.997 10.983 1.00 1.00 C ATOM 904 O THR A 62 69.683 6.543 11.981 1.00 1.00 O ATOM 905 CB THR A 62 67.905 7.343 9.312 1.00 1.00 C ATOM 906 OG1 THR A 62 68.052 8.753 9.225 1.00 1.00 O ATOM 907 CG2 THR A 62 66.914 6.999 10.425 1.00 1.00 C ATOM 0 H THR A 62 70.509 5.850 8.107 1.00 1.00 H new ATOM 0 HA THR A 62 70.025 7.492 9.657 1.00 1.00 H new ATOM 0 HB THR A 62 67.530 6.957 8.364 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.183 9.161 9.026 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.947 7.451 10.204 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.802 5.917 10.491 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.286 7.383 11.375 1.00 1.00 H new ATOM 915 N ASP A 63 68.773 4.786 11.029 1.00 1.00 N ATOM 916 CA ASP A 63 68.738 4.049 12.322 1.00 1.00 C ATOM 917 C ASP A 63 70.169 3.710 12.743 1.00 1.00 C ATOM 918 O ASP A 63 70.512 3.759 13.907 1.00 1.00 O ATOM 919 CB ASP A 63 67.922 2.762 12.161 1.00 1.00 C ATOM 920 CG ASP A 63 68.316 2.063 10.858 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.531 2.758 9.878 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.397 0.846 10.863 1.00 1.00 O ATOM 0 H ASP A 63 68.401 4.276 10.228 1.00 1.00 H new ATOM 0 HA ASP A 63 68.271 4.669 13.087 1.00 1.00 H new ATOM 0 HB2 ASP A 63 68.098 2.099 13.008 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.857 2.993 12.153 1.00 1.00 H new ATOM 927 N ILE A 64 71.012 3.381 11.800 1.00 1.00 N ATOM 928 CA ILE A 64 72.428 3.055 12.139 1.00 1.00 C ATOM 929 C ILE A 64 73.355 3.622 11.065 1.00 1.00 C ATOM 930 O ILE A 64 74.464 4.014 11.348 1.00 1.00 O ATOM 931 CB ILE A 64 72.621 1.540 12.230 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.945 1.016 13.499 1.00 1.00 C ATOM 933 CG2 ILE A 64 74.116 1.217 12.280 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.518 0.573 13.172 1.00 1.00 C ATOM 0 H ILE A 64 70.780 3.324 10.808 1.00 1.00 H new ATOM 0 HA ILE A 64 72.668 3.499 13.105 1.00 1.00 H new ATOM 0 HB ILE A 64 72.176 1.064 11.356 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.512 0.179 13.907 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.930 1.793 14.263 1.00 1.00 H new ATOM 0 HG21 ILE A 64 74.253 0.138 12.345 1.00 1.00 H new ATOM 0 HG22 ILE A 64 74.599 1.591 11.377 1.00 1.00 H new ATOM 0 HG23 ILE A 64 74.562 1.692 13.154 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.037 0.200 14.076 1.00 1.00 H new ATOM 0 HD12 ILE A 64 69.954 1.421 12.784 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.545 -0.218 12.423 1.00 1.00 H new ATOM 946 N THR A 65 72.910 3.676 9.841 1.00 1.00 N ATOM 947 CA THR A 65 73.770 4.223 8.753 1.00 1.00 C ATOM 948 C THR A 65 75.164 3.589 8.819 1.00 1.00 C ATOM 949 O THR A 65 75.515 2.750 8.013 1.00 1.00 O ATOM 950 CB THR A 65 73.893 5.738 8.923 1.00 1.00 C ATOM 951 OG1 THR A 65 72.607 6.292 9.161 1.00 1.00 O ATOM 952 CG2 THR A 65 74.487 6.350 7.653 1.00 1.00 C ATOM 0 H THR A 65 71.985 3.364 9.546 1.00 1.00 H new ATOM 0 HA THR A 65 73.319 3.994 7.788 1.00 1.00 H new ATOM 0 HB THR A 65 74.546 5.957 9.768 1.00 1.00 H new ATOM 0 HG1 THR A 65 72.684 7.263 9.272 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.574 7.430 7.776 1.00 1.00 H new ATOM 0 HG22 THR A 65 75.474 5.925 7.471 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.837 6.132 6.806 1.00 1.00 H new ATOM 960 N VAL A 66 75.958 3.994 9.772 1.00 1.00 N ATOM 961 CA VAL A 66 77.336 3.439 9.909 1.00 1.00 C ATOM 962 C VAL A 66 77.331 1.927 9.650 1.00 1.00 C ATOM 963 O VAL A 66 77.703 1.477 8.584 1.00 1.00 O ATOM 964 CB VAL A 66 77.854 3.729 11.324 1.00 1.00 C ATOM 965 CG1 VAL A 66 79.376 3.876 11.291 1.00 1.00 C ATOM 966 CG2 VAL A 66 77.229 5.028 11.838 1.00 1.00 C ATOM 0 H VAL A 66 75.708 4.694 10.470 1.00 1.00 H new ATOM 0 HA VAL A 66 77.990 3.910 9.175 1.00 1.00 H new ATOM 0 HB VAL A 66 77.583 2.906 11.986 1.00 1.00 H new ATOM 0 HG11 VAL A 66 79.744 4.082 12.296 1.00 1.00 H new ATOM 0 HG12 VAL A 66 79.823 2.952 10.923 1.00 1.00 H new ATOM 0 HG13 VAL A 66 79.648 4.699 10.630 1.00 1.00 H new ATOM 0 HG21 VAL A 66 77.596 5.235 12.843 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.501 5.850 11.176 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.144 4.925 11.862 1.00 1.00 H new ATOM 976 N ILE A 67 76.916 1.135 10.609 1.00 1.00 N ATOM 977 CA ILE A 67 76.900 -0.344 10.391 1.00 1.00 C ATOM 978 C ILE A 67 75.572 -0.931 10.878 1.00 1.00 C ATOM 979 O ILE A 67 75.451 -1.379 12.001 1.00 1.00 O ATOM 980 CB ILE A 67 78.051 -0.977 11.181 1.00 1.00 C ATOM 981 CG1 ILE A 67 79.386 -0.486 10.617 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.978 -2.500 11.059 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.528 -0.968 11.513 1.00 1.00 C ATOM 0 H ILE A 67 76.591 1.445 11.525 1.00 1.00 H new ATOM 0 HA ILE A 67 77.015 -0.554 9.328 1.00 1.00 H new ATOM 0 HB ILE A 67 77.971 -0.692 12.230 1.00 1.00 H new ATOM 0 HG12 ILE A 67 79.523 -0.860 9.602 1.00 1.00 H new ATOM 0 HG13 ILE A 67 79.390 0.602 10.559 1.00 1.00 H new ATOM 0 HG21 ILE A 67 78.797 -2.950 11.621 1.00 1.00 H new ATOM 0 HG22 ILE A 67 77.027 -2.852 11.459 1.00 1.00 H new ATOM 0 HG23 ILE A 67 78.058 -2.785 10.010 1.00 1.00 H new ATOM 0 HD11 ILE A 67 81.479 -0.618 11.111 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.392 -0.573 12.520 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.528 -2.057 11.548 1.00 1.00 H new ATOM 995 N CYS A 68 74.582 -0.943 10.029 1.00 1.00 N ATOM 996 CA CYS A 68 73.258 -1.506 10.415 1.00 1.00 C ATOM 997 C CYS A 68 73.359 -3.034 10.503 1.00 1.00 C ATOM 998 O CYS A 68 74.210 -3.640 9.885 1.00 1.00 O ATOM 999 CB CYS A 68 72.219 -1.102 9.362 1.00 1.00 C ATOM 1000 SG CYS A 68 72.197 -2.327 8.030 1.00 1.00 S ATOM 0 H CYS A 68 74.634 -0.584 9.076 1.00 1.00 H new ATOM 0 HA CYS A 68 72.955 -1.118 11.387 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.232 -1.029 9.819 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.457 -0.117 8.960 1.00 1.00 H new ATOM 1005 N PRO A 69 72.505 -3.658 11.280 1.00 1.00 N ATOM 1006 CA PRO A 69 72.514 -5.141 11.464 1.00 1.00 C ATOM 1007 C PRO A 69 72.504 -5.908 10.135 1.00 1.00 C ATOM 1008 O PRO A 69 73.339 -6.758 9.900 1.00 1.00 O ATOM 1009 CB PRO A 69 71.241 -5.439 12.277 1.00 1.00 C ATOM 1010 CG PRO A 69 70.451 -4.169 12.300 1.00 1.00 C ATOM 1011 CD PRO A 69 71.436 -3.025 12.062 1.00 1.00 C ATOM 0 HA PRO A 69 73.426 -5.466 11.965 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.668 -6.245 11.820 1.00 1.00 H new ATOM 0 HB3 PRO A 69 71.492 -5.760 13.288 1.00 1.00 H new ATOM 0 HG2 PRO A 69 69.680 -4.181 11.530 1.00 1.00 H new ATOM 0 HG3 PRO A 69 69.943 -4.048 13.257 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.973 -2.202 11.518 1.00 1.00 H new ATOM 0 HD3 PRO A 69 71.812 -2.616 13.000 1.00 1.00 H new ATOM 1019 N TRP A 70 71.568 -5.630 9.266 1.00 1.00 N ATOM 1020 CA TRP A 70 71.533 -6.368 7.970 1.00 1.00 C ATOM 1021 C TRP A 70 72.709 -5.926 7.098 1.00 1.00 C ATOM 1022 O TRP A 70 72.573 -5.722 5.908 1.00 1.00 O ATOM 1023 CB TRP A 70 70.211 -6.098 7.241 1.00 1.00 C ATOM 1024 CG TRP A 70 69.962 -4.625 7.180 1.00 1.00 C ATOM 1025 CD1 TRP A 70 70.457 -3.792 6.237 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.167 -3.798 8.080 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.019 -2.507 6.499 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.221 -2.458 7.624 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.414 -4.076 9.233 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.549 -1.431 8.292 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.738 -3.048 9.906 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.804 -1.729 9.438 1.00 1.00 C ATOM 0 H TRP A 70 70.835 -4.933 9.395 1.00 1.00 H new ATOM 0 HA TRP A 70 71.610 -7.437 8.167 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.249 -6.512 6.234 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.391 -6.594 7.759 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.091 -4.083 5.413 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.257 -1.694 5.930 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.355 -5.089 9.604 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.604 -0.416 7.927 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.162 -3.275 10.791 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.280 -0.943 9.962 1.00 1.00 H new ATOM 1043 N GLU A 71 73.869 -5.784 7.684 1.00 1.00 N ATOM 1044 CA GLU A 71 75.065 -5.361 6.900 1.00 1.00 C ATOM 1045 C GLU A 71 76.285 -6.147 7.389 1.00 1.00 C ATOM 1046 O GLU A 71 77.362 -6.053 6.838 1.00 1.00 O ATOM 1047 CB GLU A 71 75.277 -3.847 7.088 1.00 1.00 C ATOM 1048 CG GLU A 71 76.311 -3.599 8.188 1.00 1.00 C ATOM 1049 CD GLU A 71 77.719 -3.704 7.599 1.00 1.00 C ATOM 1050 OE1 GLU A 71 77.984 -3.020 6.624 1.00 1.00 O ATOM 1051 OE2 GLU A 71 78.508 -4.466 8.133 1.00 1.00 O ATOM 0 H GLU A 71 74.039 -5.944 8.677 1.00 1.00 H new ATOM 0 HA GLU A 71 74.920 -5.565 5.839 1.00 1.00 H new ATOM 0 HB2 GLU A 71 75.613 -3.399 6.153 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.333 -3.368 7.349 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.162 -2.612 8.626 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.186 -4.326 8.990 1.00 1.00 H new ATOM 1058 N ALA A 72 76.120 -6.923 8.426 1.00 1.00 N ATOM 1059 CA ALA A 72 77.264 -7.715 8.959 1.00 1.00 C ATOM 1060 C ALA A 72 77.654 -8.805 7.957 1.00 1.00 C ATOM 1061 O ALA A 72 77.961 -9.920 8.331 1.00 1.00 O ATOM 1062 CB ALA A 72 76.858 -8.363 10.283 1.00 1.00 C ATOM 0 H ALA A 72 75.240 -7.042 8.928 1.00 1.00 H new ATOM 0 HA ALA A 72 78.116 -7.054 9.119 1.00 1.00 H new ATOM 0 HB1 ALA A 72 77.693 -8.943 10.675 1.00 1.00 H new ATOM 0 HB2 ALA A 72 76.587 -7.588 10.999 1.00 1.00 H new ATOM 0 HB3 ALA A 72 76.004 -9.021 10.119 1.00 1.00 H new ATOM 1068 N CYS A 73 77.650 -8.495 6.689 1.00 1.00 N ATOM 1069 CA CYS A 73 78.026 -9.519 5.674 1.00 1.00 C ATOM 1070 C CYS A 73 79.520 -9.829 5.800 1.00 1.00 C ATOM 1071 O CYS A 73 80.097 -10.507 4.973 1.00 1.00 O ATOM 1072 CB CYS A 73 77.725 -8.985 4.268 1.00 1.00 C ATOM 1073 SG CYS A 73 76.620 -7.557 4.390 1.00 1.00 S ATOM 0 H CYS A 73 77.403 -7.579 6.313 1.00 1.00 H new ATOM 0 HA CYS A 73 77.450 -10.429 5.841 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.651 -8.700 3.769 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.264 -9.765 3.662 1.00 1.00 H new ATOM 1078 N ASN A 74 80.148 -9.335 6.833 1.00 1.00 N ATOM 1079 CA ASN A 74 81.603 -9.596 7.025 1.00 1.00 C ATOM 1080 C ASN A 74 82.384 -9.072 5.818 1.00 1.00 C ATOM 1081 O ASN A 74 81.863 -8.340 4.999 1.00 1.00 O ATOM 1082 CB ASN A 74 81.838 -11.101 7.173 1.00 1.00 C ATOM 1083 CG ASN A 74 83.236 -11.346 7.744 1.00 1.00 C ATOM 1084 OD1 ASN A 74 84.127 -11.773 7.037 1.00 1.00 O ATOM 1085 ND2 ASN A 74 83.468 -11.090 9.002 1.00 1.00 N ATOM 0 H ASN A 74 79.714 -8.760 7.555 1.00 1.00 H new ATOM 0 HA ASN A 74 81.945 -9.085 7.925 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.084 -11.535 7.830 1.00 1.00 H new ATOM 0 HB3 ASN A 74 81.738 -11.592 6.205 1.00 1.00 H new ATOM 0 HD21 ASN A 74 84.397 -11.248 9.392 1.00 1.00 H new ATOM 0 HD22 ASN A 74 82.720 -10.731 9.596 1.00 1.00 H new ATOM 1092 N HIS A 75 83.631 -9.439 5.703 1.00 1.00 N ATOM 1093 CA HIS A 75 84.448 -8.963 4.552 1.00 1.00 C ATOM 1094 C HIS A 75 84.443 -7.433 4.522 1.00 1.00 C ATOM 1095 O HIS A 75 84.718 -6.822 3.508 1.00 1.00 O ATOM 1096 CB HIS A 75 83.860 -9.505 3.248 1.00 1.00 C ATOM 1097 CG HIS A 75 83.584 -10.976 3.396 1.00 1.00 C ATOM 1098 ND1 HIS A 75 82.313 -11.509 3.246 1.00 1.00 N ATOM 1099 CD2 HIS A 75 84.406 -12.040 3.680 1.00 1.00 C ATOM 1100 CE1 HIS A 75 82.402 -12.837 3.439 1.00 1.00 C ATOM 1101 NE2 HIS A 75 83.655 -13.211 3.706 1.00 1.00 N ATOM 0 H HIS A 75 84.120 -10.049 6.358 1.00 1.00 H new ATOM 0 HA HIS A 75 85.472 -9.320 4.661 1.00 1.00 H new ATOM 0 HB2 HIS A 75 82.940 -8.974 3.003 1.00 1.00 H new ATOM 0 HB3 HIS A 75 84.554 -9.335 2.425 1.00 1.00 H new ATOM 0 HD2 HIS A 75 85.470 -11.977 3.856 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.564 -13.516 3.385 1.00 1.00 H new ATOM 0 HE2 HIS A 75 83.991 -14.156 3.890 1.00 1.00 H new ATOM 1110 N CYS A 76 84.135 -6.810 5.627 1.00 1.00 N ATOM 1111 CA CYS A 76 84.115 -5.320 5.662 1.00 1.00 C ATOM 1112 C CYS A 76 85.527 -4.789 5.400 1.00 1.00 C ATOM 1113 O CYS A 76 85.729 -3.609 5.192 1.00 1.00 O ATOM 1114 CB CYS A 76 83.633 -4.850 7.040 1.00 1.00 C ATOM 1115 SG CYS A 76 82.198 -3.765 6.840 1.00 1.00 S ATOM 0 H CYS A 76 83.896 -7.268 6.507 1.00 1.00 H new ATOM 0 HA CYS A 76 83.438 -4.943 4.895 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.370 -5.709 7.657 1.00 1.00 H new ATOM 0 HB3 CYS A 76 84.434 -4.320 7.556 1.00 1.00 H new ATOM 1120 N GLU A 77 86.505 -5.653 5.410 1.00 1.00 N ATOM 1121 CA GLU A 77 87.904 -5.201 5.163 1.00 1.00 C ATOM 1122 C GLU A 77 88.002 -4.575 3.770 1.00 1.00 C ATOM 1123 O GLU A 77 88.438 -5.204 2.826 1.00 1.00 O ATOM 1124 CB GLU A 77 88.851 -6.401 5.252 1.00 1.00 C ATOM 1125 CG GLU A 77 88.207 -7.612 4.574 1.00 1.00 C ATOM 1126 CD GLU A 77 89.274 -8.675 4.306 1.00 1.00 C ATOM 1127 OE1 GLU A 77 89.737 -9.276 5.262 1.00 1.00 O ATOM 1128 OE2 GLU A 77 89.610 -8.870 3.150 1.00 1.00 O ATOM 0 H GLU A 77 86.396 -6.653 5.579 1.00 1.00 H new ATOM 0 HA GLU A 77 88.184 -4.461 5.913 1.00 1.00 H new ATOM 0 HB2 GLU A 77 89.801 -6.165 4.772 1.00 1.00 H new ATOM 0 HB3 GLU A 77 89.069 -6.629 6.295 1.00 1.00 H new ATOM 0 HG2 GLU A 77 87.421 -8.022 5.209 1.00 1.00 H new ATOM 0 HG3 GLU A 77 87.736 -7.310 3.638 1.00 1.00 H new ATOM 1135 N LEU A 78 87.602 -3.340 3.632 1.00 1.00 N ATOM 1136 CA LEU A 78 87.677 -2.679 2.300 1.00 1.00 C ATOM 1137 C LEU A 78 89.136 -2.632 1.840 1.00 1.00 C ATOM 1138 O LEU A 78 89.975 -2.013 2.465 1.00 1.00 O ATOM 1139 CB LEU A 78 87.129 -1.252 2.404 1.00 1.00 C ATOM 1140 CG LEU A 78 86.959 -0.663 1.003 1.00 1.00 C ATOM 1141 CD1 LEU A 78 85.572 -1.019 0.464 1.00 1.00 C ATOM 1142 CD2 LEU A 78 87.103 0.859 1.069 1.00 1.00 C ATOM 0 H LEU A 78 87.227 -2.762 4.384 1.00 1.00 H new ATOM 0 HA LEU A 78 87.084 -3.243 1.580 1.00 1.00 H new ATOM 0 HB2 LEU A 78 86.172 -1.257 2.926 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.808 -0.633 2.990 1.00 1.00 H new ATOM 0 HG LEU A 78 87.723 -1.073 0.342 1.00 1.00 H new ATOM 0 HD11 LEU A 78 85.451 -0.599 -0.535 1.00 1.00 H new ATOM 0 HD12 LEU A 78 85.467 -2.103 0.417 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.808 -0.609 1.125 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.982 1.280 0.071 1.00 1.00 H new ATOM 0 HD22 LEU A 78 86.339 1.268 1.730 1.00 1.00 H new ATOM 0 HD23 LEU A 78 88.090 1.115 1.453 1.00 1.00 H new ATOM 1154 N HIS A 79 89.446 -3.283 0.752 1.00 1.00 N ATOM 1155 CA HIS A 79 90.850 -3.277 0.252 1.00 1.00 C ATOM 1156 C HIS A 79 90.853 -3.495 -1.262 1.00 1.00 C ATOM 1157 O HIS A 79 90.449 -2.639 -2.024 1.00 1.00 O ATOM 1158 CB HIS A 79 91.636 -4.404 0.928 1.00 1.00 C ATOM 1159 CG HIS A 79 91.882 -4.051 2.369 1.00 1.00 C ATOM 1160 ND1 HIS A 79 91.308 -4.761 3.413 1.00 1.00 N ATOM 1161 CD2 HIS A 79 92.638 -3.065 2.956 1.00 1.00 C ATOM 1162 CE1 HIS A 79 91.722 -4.200 4.563 1.00 1.00 C ATOM 1163 NE2 HIS A 79 92.533 -3.164 4.340 1.00 1.00 N ATOM 0 H HIS A 79 88.787 -3.819 0.187 1.00 1.00 H new ATOM 0 HA HIS A 79 91.314 -2.318 0.483 1.00 1.00 H new ATOM 0 HB2 HIS A 79 91.080 -5.339 0.862 1.00 1.00 H new ATOM 0 HB3 HIS A 79 92.584 -4.559 0.414 1.00 1.00 H new ATOM 0 HD2 HIS A 79 93.223 -2.328 2.426 1.00 1.00 H new ATOM 0 HE1 HIS A 79 91.434 -4.545 5.545 1.00 1.00 H new ATOM 0 HE2 HIS A 79 92.982 -2.570 5.037 1.00 1.00 H new ATOM 1172 N GLU A 80 91.303 -4.639 -1.703 1.00 1.00 N ATOM 1173 CA GLU A 80 91.333 -4.923 -3.167 1.00 1.00 C ATOM 1174 C GLU A 80 90.103 -5.752 -3.542 1.00 1.00 C ATOM 1175 O GLU A 80 89.615 -5.692 -4.653 1.00 1.00 O ATOM 1176 CB GLU A 80 92.600 -5.712 -3.505 1.00 1.00 C ATOM 1177 CG GLU A 80 92.666 -5.950 -5.015 1.00 1.00 C ATOM 1178 CD GLU A 80 93.972 -6.665 -5.363 1.00 1.00 C ATOM 1179 OE1 GLU A 80 94.058 -7.856 -5.113 1.00 1.00 O ATOM 1180 OE2 GLU A 80 94.866 -6.010 -5.874 1.00 1.00 O ATOM 0 H GLU A 80 91.652 -5.392 -1.110 1.00 1.00 H new ATOM 0 HA GLU A 80 91.329 -3.986 -3.724 1.00 1.00 H new ATOM 0 HB2 GLU A 80 93.482 -5.164 -3.174 1.00 1.00 H new ATOM 0 HB3 GLU A 80 92.600 -6.665 -2.976 1.00 1.00 H new ATOM 0 HG2 GLU A 80 91.814 -6.549 -5.337 1.00 1.00 H new ATOM 0 HG3 GLU A 80 92.606 -5.000 -5.546 1.00 1.00 H new ATOM 1187 N LEU A 81 89.600 -6.525 -2.620 1.00 1.00 N ATOM 1188 CA LEU A 81 88.402 -7.359 -2.917 1.00 1.00 C ATOM 1189 C LEU A 81 87.243 -6.449 -3.329 1.00 1.00 C ATOM 1190 O LEU A 81 86.430 -6.800 -4.160 1.00 1.00 O ATOM 1191 CB LEU A 81 88.006 -8.151 -1.665 1.00 1.00 C ATOM 1192 CG LEU A 81 88.961 -9.331 -1.478 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.774 -10.327 -2.624 1.00 1.00 C ATOM 1194 CD2 LEU A 81 90.404 -8.822 -1.478 1.00 1.00 C ATOM 0 H LEU A 81 89.967 -6.615 -1.673 1.00 1.00 H new ATOM 0 HA LEU A 81 88.631 -8.051 -3.727 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.037 -7.504 -0.789 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.982 -8.511 -1.760 1.00 1.00 H new ATOM 0 HG LEU A 81 88.747 -9.824 -0.530 1.00 1.00 H new ATOM 0 HD11 LEU A 81 89.455 -11.168 -2.490 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.746 -10.689 -2.627 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.988 -9.834 -3.573 1.00 1.00 H new ATOM 0 HD21 LEU A 81 91.086 -9.662 -1.345 1.00 1.00 H new ATOM 0 HD22 LEU A 81 90.616 -8.329 -2.427 1.00 1.00 H new ATOM 0 HD23 LEU A 81 90.539 -8.112 -0.662 1.00 1.00 H new ATOM 1206 N ALA A 82 87.160 -5.282 -2.751 1.00 1.00 N ATOM 1207 CA ALA A 82 86.053 -4.351 -3.106 1.00 1.00 C ATOM 1208 C ALA A 82 86.220 -3.883 -4.554 1.00 1.00 C ATOM 1209 O ALA A 82 85.363 -3.220 -5.103 1.00 1.00 O ATOM 1210 CB ALA A 82 86.087 -3.140 -2.171 1.00 1.00 C ATOM 0 H ALA A 82 87.812 -4.933 -2.048 1.00 1.00 H new ATOM 0 HA ALA A 82 85.098 -4.866 -3.001 1.00 1.00 H new ATOM 0 HB1 ALA A 82 85.277 -2.458 -2.430 1.00 1.00 H new ATOM 0 HB2 ALA A 82 85.966 -3.473 -1.140 1.00 1.00 H new ATOM 0 HB3 ALA A 82 87.042 -2.626 -2.276 1.00 1.00 H new ATOM 1216 N GLN A 83 87.315 -4.224 -5.177 1.00 1.00 N ATOM 1217 CA GLN A 83 87.530 -3.798 -6.588 1.00 1.00 C ATOM 1218 C GLN A 83 86.654 -4.644 -7.515 1.00 1.00 C ATOM 1219 O GLN A 83 86.148 -4.169 -8.512 1.00 1.00 O ATOM 1220 CB GLN A 83 89.003 -3.991 -6.961 1.00 1.00 C ATOM 1221 CG GLN A 83 89.324 -3.173 -8.213 1.00 1.00 C ATOM 1222 CD GLN A 83 89.502 -1.702 -7.831 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.932 -0.828 -8.453 1.00 1.00 O ATOM 1224 NE2 GLN A 83 90.275 -1.391 -6.827 1.00 1.00 N ATOM 0 H GLN A 83 88.069 -4.778 -4.770 1.00 1.00 H new ATOM 0 HA GLN A 83 87.263 -2.747 -6.695 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.642 -3.678 -6.135 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.208 -5.046 -7.141 1.00 1.00 H new ATOM 0 HG2 GLN A 83 90.232 -3.550 -8.683 1.00 1.00 H new ATOM 0 HG3 GLN A 83 88.521 -3.275 -8.943 1.00 1.00 H new ATOM 0 HE21 GLN A 83 90.753 -2.125 -6.305 1.00 1.00 H new ATOM 0 HE22 GLN A 83 90.401 -0.414 -6.564 1.00 1.00 H new ATOM 1233 N TYR A 84 86.471 -5.894 -7.192 1.00 1.00 N ATOM 1234 CA TYR A 84 85.630 -6.772 -8.053 1.00 1.00 C ATOM 1235 C TYR A 84 84.167 -6.334 -7.953 1.00 1.00 C ATOM 1236 O TYR A 84 83.813 -5.234 -8.330 1.00 1.00 O ATOM 1237 CB TYR A 84 85.764 -8.223 -7.587 1.00 1.00 C ATOM 1238 CG TYR A 84 87.200 -8.667 -7.729 1.00 1.00 C ATOM 1239 CD1 TYR A 84 87.768 -8.803 -9.001 1.00 1.00 C ATOM 1240 CD2 TYR A 84 87.963 -8.944 -6.588 1.00 1.00 C ATOM 1241 CE1 TYR A 84 89.100 -9.215 -9.133 1.00 1.00 C ATOM 1242 CE2 TYR A 84 89.295 -9.356 -6.720 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.863 -9.491 -7.992 1.00 1.00 C ATOM 1244 OH TYR A 84 91.176 -9.897 -8.122 1.00 1.00 O ATOM 0 H TYR A 84 86.868 -6.346 -6.368 1.00 1.00 H new ATOM 0 HA TYR A 84 85.962 -6.692 -9.088 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.445 -8.314 -6.549 1.00 1.00 H new ATOM 0 HB3 TYR A 84 85.113 -8.867 -8.178 1.00 1.00 H new ATOM 0 HD1 TYR A 84 87.179 -8.590 -9.881 1.00 1.00 H new ATOM 0 HD2 TYR A 84 87.524 -8.840 -5.607 1.00 1.00 H new ATOM 0 HE1 TYR A 84 89.538 -9.320 -10.114 1.00 1.00 H new ATOM 0 HE2 TYR A 84 89.884 -9.570 -5.840 1.00 1.00 H new ATOM 0 HH TYR A 84 91.562 -10.046 -7.234 1.00 1.00 H new ATOM 1254 N GLY A 85 83.315 -7.185 -7.449 1.00 1.00 N ATOM 1255 CA GLY A 85 81.876 -6.818 -7.326 1.00 1.00 C ATOM 1256 C GLY A 85 81.269 -7.516 -6.108 1.00 1.00 C ATOM 1257 O GLY A 85 80.089 -7.403 -5.842 1.00 1.00 O ATOM 0 H GLY A 85 83.554 -8.119 -7.117 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.773 -5.737 -7.227 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.338 -7.108 -8.229 1.00 1.00 H new ATOM 1261 N ILE A 86 82.063 -8.238 -5.364 1.00 1.00 N ATOM 1262 CA ILE A 86 81.523 -8.940 -4.165 1.00 1.00 C ATOM 1263 C ILE A 86 81.105 -7.906 -3.118 1.00 1.00 C ATOM 1264 O ILE A 86 81.880 -7.055 -2.729 1.00 1.00 O ATOM 1265 CB ILE A 86 82.597 -9.852 -3.569 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.078 -10.837 -4.637 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.011 -10.629 -2.389 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.278 -11.622 -4.104 1.00 1.00 C ATOM 0 H ILE A 86 83.060 -8.372 -5.534 1.00 1.00 H new ATOM 0 HA ILE A 86 80.662 -9.540 -4.459 1.00 1.00 H new ATOM 0 HB ILE A 86 83.436 -9.247 -3.225 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.273 -11.521 -4.905 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.355 -10.300 -5.544 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.777 -11.279 -1.965 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.666 -9.929 -1.628 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.172 -11.234 -2.732 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.621 -12.324 -4.865 1.00 1.00 H new ATOM 0 HD12 ILE A 86 85.084 -10.931 -3.858 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.985 -12.171 -3.209 1.00 1.00 H new ATOM 1280 N CYS A 87 79.886 -7.973 -2.654 1.00 1.00 N ATOM 1281 CA CYS A 87 79.427 -6.992 -1.631 1.00 1.00 C ATOM 1282 C CYS A 87 80.330 -7.084 -0.400 1.00 1.00 C ATOM 1283 CB CYS A 87 77.984 -7.308 -1.227 1.00 1.00 C ATOM 1284 SG CYS A 87 76.906 -7.169 -2.675 1.00 1.00 S ATOM 0 H CYS A 87 79.191 -8.663 -2.939 1.00 1.00 H new ATOM 0 HA CYS A 87 79.475 -5.985 -2.047 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.924 -8.314 -0.811 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.655 -6.620 -0.448 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.568 -7.350 9.221 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.775 -9.178 10.735 1.00 1.00 O HETATM 1292 O1H RCY A 110 62.331 -9.526 7.647 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.515 -4.805 10.830 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.565 -10.986 9.287 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.186 -6.690 10.570 1.00 1.00 C HETATM 1296 C1P RCY A 110 59.560 -9.567 9.872 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.231 -9.626 8.188 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.652 -8.698 9.249 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.195 -10.703 7.919 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.065 -7.266 9.593 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.581 -8.178 11.404 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.412 -5.760 10.773 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.970 -5.549 11.230 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.444 -7.188 10.246 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.873 -5.641 12.755 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.484 -4.185 10.740 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.617 -4.118 9.660 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.428 -4.066 10.983 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.828 -5.573 13.058 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.286 -6.593 13.089 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.546 -9.197 11.018 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.532 -8.015 11.912 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.275 -6.317 10.102 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.156 -11.681 9.883 1.00 1.00 H new HETATM 0 H1CB RCY A 110 63.476 -8.319 8.731 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.497 -6.558 8.475 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.059 -3.397 11.226 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.435 -4.823 13.205 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.763 -8.029 12.109 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.043 -6.743 8.637 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.448 -10.364 7.201 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.884 -7.433 11.308 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.563 -11.408 9.206 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.532 -7.288 9.726 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.077 -1.714 -2.777 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.313 -1.008 -6.390 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.027 -3.388 -3.344 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.018 -2.182 -5.032 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.341 -3.336 -5.637 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.189 0.308 -5.747 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.840 -1.888 -5.711 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.354 -3.082 -4.328 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.074 -1.673 -4.835 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.648 -4.045 -5.265 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.838 -0.381 -4.538 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.788 0.661 -3.304 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.997 -1.138 -5.034 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.510 -0.310 -6.222 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.181 -0.631 -3.853 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.525 0.785 -6.564 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.292 -1.234 -7.420 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.614 -2.040 -7.139 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.859 -0.666 -8.244 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.125 1.417 -7.357 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.717 1.392 -5.679 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.163 1.042 -2.496 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.790 0.460 -2.924 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.411 0.192 -6.502 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.564 -3.472 -4.885 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.358 -1.405 -2.018 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.746 -2.648 -3.231 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.247 -1.656 -7.733 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.456 0.327 -6.899 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.844 1.404 -4.100 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.163 0.190 -3.901 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.252 -4.252 -6.149 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.302 1.377 -5.567 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.932 -3.685 -6.585 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.053 -1.862 -2.314 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.987 8.662 -5.681 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.038 5.758 -6.210 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.070 5.904 -9.827 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.285 10.566 -5.279 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.107 4.637 -8.384 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.955 7.605 -7.621 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.595 5.601 -7.296 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.037 5.863 -9.162 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.859 6.343 -7.727 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.696 5.320 -9.623 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.730 7.317 -6.932 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.558 9.245 -8.081 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.273 9.497 -6.273 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.457 8.941 -7.061 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.077 8.687 -6.754 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.837 9.893 -8.199 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.639 8.738 -6.113 1.00 1.00 C HETATM 0 H1ZB RCY A 130 79.332 8.107 -5.279 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 80.458 8.258 -6.650 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.688 6.815 -7.459 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.487 3.625 -8.245 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.213 7.949 -5.965 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.422 8.364 -4.727 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.971 9.704 -5.733 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.191 10.836 -7.782 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.885 6.818 -5.975 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.047 6.119 -9.981 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.790 7.671 -8.696 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.020 4.567 -8.423 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.636 3.122 -0.318 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.044 5.947 0.021 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.744 5.517 -0.152 1.00 1.00 O HETATM 1350 O1J RCY A 138 86.130 1.874 -1.455 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.796 7.177 -1.165 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.553 3.720 1.880 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.241 6.116 -0.206 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.608 5.987 -0.101 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.360 5.294 0.432 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.191 7.372 -0.561 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.264 4.085 1.365 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.412 1.717 1.644 1.00 1.00 C HETATM 1359 N1V RCY A 138 86.039 2.446 -0.115 1.00 1.00 N HETATM 1360 C1W RCY A 138 87.187 2.800 0.829 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.780 2.823 0.653 1.00 1.00 C HETATM 1362 C1Y RCY A 138 87.748 1.537 1.488 1.00 1.00 C HETATM 1363 C1Z RCY A 138 88.277 3.526 0.041 1.00 1.00 C HETATM 0 H1ZB RCY A 138 87.845 4.388 -0.468 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 89.057 3.861 0.724 1.00 1.00 H new HETATM 0 H1YB RCY A 138 88.508 1.815 2.219 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.542 2.024 2.225 1.00 1.00 H new HETATM 0 H1VA RCY A 138 84.179 0.802 1.099 1.00 1.00 H new HETATM 0 H1MA RCY A 138 87.170 4.603 2.048 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.833 6.828 -2.197 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.796 3.549 0.230 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.975 3.832 -1.073 1.00 1.00 H new HETATM 0 H1Z RCY A 138 88.707 2.847 -0.696 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.252 1.536 2.315 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.567 4.399 2.141 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.168 8.075 0.271 1.00 1.00 H new HETATM 0 H1M RCY A 138 86.459 3.210 2.839 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.207 8.094 -1.159 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.321 2.199 -0.804 1.00 1.00 H new HETATM 1366 C1C RCY A 150 74.975 7.345 4.467 1.00 1.00 C HETATM 1367 O1G RCY A 150 76.659 9.824 5.034 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.637 6.862 7.194 1.00 1.00 O HETATM 1369 O1J RCY A 150 74.789 4.503 3.489 1.00 1.00 O HETATM 1370 C1L RCY A 150 78.272 10.101 6.853 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.125 5.507 5.092 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.487 9.320 5.792 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.815 7.752 6.977 1.00 1.00 C HETATM 1374 N1R RCY A 150 77.859 7.838 5.794 1.00 1.00 N HETATM 1375 C1S RCY A 150 78.567 8.971 7.846 1.00 1.00 C HETATM 1376 C1U RCY A 150 77.398 6.721 4.856 1.00 1.00 C HETATM 1377 C1V RCY A 150 75.638 6.070 6.556 1.00 1.00 C HETATM 1378 N1V RCY A 150 75.891 5.020 4.296 1.00 1.00 N HETATM 1379 C1W RCY A 150 77.252 4.372 4.544 1.00 1.00 C HETATM 1380 C1X RCY A 150 75.939 6.326 5.077 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.128 3.244 5.571 1.00 1.00 C HETATM 1382 C1Z RCY A 150 77.800 3.838 3.221 1.00 1.00 C HETATM 0 H1ZB RCY A 150 77.824 4.642 2.486 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.809 3.456 3.373 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.118 2.849 5.799 1.00 1.00 H new HETATM 0 H1YA RCY A 150 76.673 3.631 6.483 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.093 5.530 4.592 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.180 10.552 6.452 1.00 1.00 H new HETATM 0 H1CB RCY A 150 75.138 8.320 4.926 1.00 1.00 H new HETATM 0 H1CA RCY A 150 75.151 7.415 3.394 1.00 1.00 H new HETATM 0 H1Z RCY A 150 77.158 3.034 2.859 1.00 1.00 H new HETATM 0 H1Y RCY A 150 76.505 2.448 5.164 1.00 1.00 H new HETATM 0 H1V RCY A 150 76.345 5.341 6.950 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.557 7.127 3.857 1.00 1.00 H new HETATM 0 H1S RCY A 150 77.729 8.810 8.524 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.319 5.370 6.156 1.00 1.00 H new HETATM 0 H1L RCY A 150 77.686 10.905 7.298 1.00 1.00 H new HETATM 0 H1C RCY A 150 73.948 7.027 4.646 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.732 6.560 -1.256 1.00 1.00 C HETATM 1386 O1G RCY A 160 74.222 8.461 0.196 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.091 5.052 1.129 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.628 5.279 -3.980 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.510 8.186 1.922 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.332 5.314 -2.020 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.304 7.794 0.670 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.619 6.152 0.975 1.00 1.00 C HETATM 1393 N1R RCY A 160 72.813 6.471 0.084 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.196 7.449 1.641 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.369 5.666 -1.092 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.815 7.835 -2.319 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.451 5.566 -3.165 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.031 5.034 -3.356 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.365 6.460 -1.936 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.330 5.778 -4.496 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.093 3.535 -3.648 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.647 3.033 -2.855 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.082 3.131 -3.695 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.294 5.447 -4.563 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.357 6.850 -4.301 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.706 8.446 -1.423 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.504 8.323 -3.009 1.00 1.00 H new HETATM 0 H1MA RCY A 160 71.783 4.437 -1.676 1.00 1.00 H new HETATM 0 H1LA RCY A 160 72.989 7.850 2.842 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.624 7.060 -0.294 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.136 5.559 -1.102 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.594 3.371 -4.602 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.840 5.567 -5.436 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.843 7.717 -2.799 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.839 4.800 -0.627 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.544 8.034 0.992 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.609 6.123 -2.121 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.374 9.264 2.009 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.412 7.132 -1.888 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.975 0.852 3.239 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.816 -2.356 5.778 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.166 -1.969 5.049 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.633 0.394 0.282 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.868 -2.563 7.244 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.338 -2.718 2.503 1.00 1.00 C HETATM 1410 C1P RCY A 168 75.596 -2.292 5.921 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.288 -1.888 5.547 1.00 1.00 C HETATM 1412 N1R RCY A 168 74.618 -1.932 4.805 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.603 -1.726 7.023 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.891 -1.678 3.321 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.741 -0.347 3.190 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.366 -0.615 1.303 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.171 -2.117 1.102 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.221 -0.406 2.803 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.770 -2.406 0.556 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.241 -2.637 0.142 1.00 1.00 C HETATM 0 H1VB RCY A 168 72.651 -0.253 4.272 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.274 0.514 2.711 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.004 0.900 4.328 1.00 1.00 H new HETATM 0 H1CA RCY A 168 75.993 0.819 2.850 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.094 -2.192 -0.842 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.243 -1.259 2.862 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.770 -0.680 7.280 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.380 -3.056 2.898 1.00 1.00 H new HETATM 0 H1L RCY A 168 75.441 -2.233 8.111 1.00 1.00 H new HETATM 0 H1C RCY A 168 74.466 1.734 2.850 1.00 1.00 H new HETATM 1423 C1C RCY A 173 69.738 -8.704 5.214 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.241 -10.186 4.957 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.133 -6.086 3.574 1.00 1.00 O HETATM 1426 O1J RCY A 173 67.580 -7.994 3.237 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.517 -9.289 5.010 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.173 -7.222 2.142 1.00 1.00 C HETATM 1429 C1P RCY A 173 73.019 -9.273 4.682 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.953 -7.284 3.789 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.612 -7.983 3.971 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.034 -8.341 3.922 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.222 -7.507 3.548 1.00 1.00 C HETATM 1434 C1V RCY A 173 70.559 -9.917 3.145 1.00 1.00 C HETATM 1435 N1V RCY A 173 69.008 -7.962 2.936 1.00 1.00 N HETATM 1436 C1W RCY A 173 69.696 -7.306 1.740 1.00 1.00 C HETATM 1437 C1X RCY A 173 70.144 -8.572 3.745 1.00 1.00 C HETATM 1438 C1Y RCY A 173 69.527 -8.170 0.487 1.00 1.00 C HETATM 1439 C1Z RCY A 173 69.100 -5.916 1.520 1.00 1.00 C HETATM 0 H1ZB RCY A 173 69.176 -5.338 2.441 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 69.647 -5.407 0.726 1.00 1.00 H new HETATM 0 H1YB RCY A 173 70.092 -7.732 -0.336 1.00 1.00 H new HETATM 0 H1YA RCY A 173 69.896 -9.176 0.686 1.00 1.00 H new HETATM 0 H1VB RCY A 173 71.409 -10.316 3.699 1.00 1.00 H new HETATM 0 H1VA RCY A 173 69.725 -10.616 3.207 1.00 1.00 H new HETATM 0 H1MA RCY A 173 71.578 -6.232 1.931 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.728 -8.925 6.015 1.00 1.00 H new HETATM 0 H1CB RCY A 173 70.608 -8.984 5.808 1.00 1.00 H new HETATM 0 H1CA RCY A 173 69.347 -7.751 5.570 1.00 1.00 H new HETATM 0 H1Z RCY A 173 68.052 -6.010 1.236 1.00 1.00 H new HETATM 0 H1Y RCY A 173 68.472 -8.218 0.217 1.00 1.00 H new HETATM 0 H1V RCY A 173 70.840 -9.779 2.101 1.00 1.00 H new HETATM 0 H1U RCY A 173 71.038 -6.630 4.169 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.192 -8.867 2.980 1.00 1.00 H new HETATM 0 H1M RCY A 173 71.771 -7.938 1.579 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.950 -10.286 4.935 1.00 1.00 H new HETATM 0 H1C RCY A 173 68.970 -9.471 5.312 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.844 -2.026 2.789 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.158 -6.285 4.909 1.00 1.00 O HETATM 1444 O1H RCY A 176 81.257 -2.802 4.157 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.350 -2.834 0.303 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.932 -5.297 6.275 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.535 -5.551 1.900 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.081 -5.478 5.011 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.745 -3.863 4.511 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.523 -4.533 3.895 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.219 -4.749 5.648 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.906 -4.308 2.514 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.631 -4.097 3.605 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.073 -3.767 1.162 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.472 -5.208 0.849 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.598 -3.520 2.569 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.263 -6.139 0.982 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.048 -5.272 -0.566 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.868 -4.560 -0.658 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.418 -6.278 -0.763 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.581 -7.172 0.838 1.00 1.00 H new HETATM 0 H1YA RCY A 176 75.826 -6.029 1.975 1.00 1.00 H new HETATM 0 H1VB RCY A 176 77.046 -3.963 4.604 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.674 -3.580 3.537 1.00 1.00 H new HETATM 0 H1MA RCY A 176 79.398 -6.030 1.439 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.484 -4.601 6.984 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.372 -1.879 3.731 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.446 -1.632 1.970 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.484 -5.160 3.413 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.675 -3.770 1.961 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.856 -5.555 5.283 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.141 -6.248 2.639 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.093 -6.234 6.807 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.889 -1.501 2.822 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.566 -2.551 0.141 1.00 1.00 C HETATM 1462 O1G RCY A 187 72.378 -5.676 -0.759 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.043 -5.762 -0.027 1.00 1.00 O HETATM 1464 O1J RCY A 187 72.739 -1.833 -0.607 1.00 1.00 O HETATM 1465 C1L RCY A 187 74.245 -6.695 -1.969 1.00 1.00 C HETATM 1466 C1M RCY A 187 73.127 -4.684 1.928 1.00 1.00 C HETATM 1467 C1P RCY A 187 73.591 -5.854 -0.865 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.939 -5.698 -0.566 1.00 1.00 C HETATM 1469 N1R RCY A 187 74.632 -5.266 0.086 1.00 1.00 N HETATM 1470 C1S RCY A 187 75.629 -6.038 -2.013 1.00 1.00 C HETATM 1471 C1U RCY A 187 74.426 -4.452 1.365 1.00 1.00 C HETATM 1472 C1V RCY A 187 74.545 -2.157 2.428 1.00 1.00 C HETATM 1473 N1V RCY A 187 73.092 -2.747 0.476 1.00 1.00 N HETATM 1474 C1W RCY A 187 72.173 -3.718 1.214 1.00 1.00 C HETATM 1475 C1X RCY A 187 74.457 -2.944 1.119 1.00 1.00 C HETATM 1476 C1Y RCY A 187 71.307 -2.968 2.230 1.00 1.00 C HETATM 1477 C1Z RCY A 187 71.298 -4.451 0.198 1.00 1.00 C HETATM 0 H1ZB RCY A 187 71.931 -4.929 -0.550 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 70.705 -5.209 0.709 1.00 1.00 H new HETATM 0 H1YB RCY A 187 70.720 -3.683 2.806 1.00 1.00 H new HETATM 0 H1YA RCY A 187 71.947 -2.399 2.904 1.00 1.00 H new HETATM 0 H1MA RCY A 187 72.817 -5.718 1.779 1.00 1.00 H new HETATM 0 H1LA RCY A 187 74.293 -7.754 -1.714 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.532 -2.851 0.547 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.403 -3.050 -0.814 1.00 1.00 H new HETATM 0 H1Z RCY A 187 70.633 -3.739 -0.291 1.00 1.00 H new HETATM 0 H1Y RCY A 187 70.637 -2.288 1.705 1.00 1.00 H new HETATM 0 H1U RCY A 187 75.238 -4.769 2.019 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.624 -5.145 -2.638 1.00 1.00 H new HETATM 0 H1M RCY A 187 73.131 -4.504 3.003 1.00 1.00 H new HETATM 0 H1L RCY A 187 73.717 -6.620 -2.919 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.555 -1.471 -0.007 1.00 1.00 H new