USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 13 ALA H : A 13 ALA N : A 110 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 14 THR H : A 14 THR N : A 110 RCY N1R :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 15 ARG CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 14 THR CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 14 THR C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 13 ALA C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 14 THR OG1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 14 THR OG1 :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 15 ARG CA :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 14 THR C :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 13 ALA O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 23 PRO O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1LA : A 121 RCY C1L : A 22 THR O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 22 THR O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 33 ARG CD :(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 RCYH1MA : A 130 RCY C1M : A 33 ARG CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 33 ARG CB :(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 RCYH1LA : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1X :(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 RCYH1YA : A 168 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 176 RCY C1C :(H bumps) USER MOD Set 1.1: A 40 SER OG : rot 180:sc= 0.0888! USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.152 (180deg=-0.253) USER MOD Single : A 2 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.05) USER MOD Single : A 7 LYS NZ :NH3+ -101:sc= -3.62! (180deg=-6.24!) USER MOD Single : A 12 SER OG : rot -126:sc= -0.218! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0234 (180deg=-0.382) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -1.05 (180deg=-1.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 35 THR OG1 : rot -49:sc= 0.153! USER MOD Single : A 37 GLN :FLIP amide:sc= -2! C(o=-5.4!,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -2.97! (180deg=-3.64!) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= -0.326 (180deg=-1.21) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -1.81 (180deg=-2.25) USER MOD Single : A 48 GLN : amide:sc= -3.16! C(o=-3.2!,f=-3.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.17 F(o=-1.3,f=-0.17) USER MOD Single : A 75 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -0.954 F(o=-2,f=-0.95) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.945 -12.222 -18.290 1.00 1.00 N ATOM 2 CA MET A 1 68.579 -11.447 -17.071 1.00 1.00 C ATOM 3 C MET A 1 67.697 -10.261 -17.467 1.00 1.00 C ATOM 4 O MET A 1 67.045 -9.656 -16.640 1.00 1.00 O ATOM 5 CB MET A 1 69.852 -10.934 -16.391 1.00 1.00 C ATOM 6 CG MET A 1 69.533 -10.524 -14.952 1.00 1.00 C ATOM 7 SD MET A 1 69.297 -12.006 -13.940 1.00 1.00 S ATOM 8 CE MET A 1 67.970 -11.358 -12.894 1.00 1.00 C ATOM 0 H1 MET A 1 69.458 -13.083 -18.013 1.00 1.00 H new ATOM 0 H2 MET A 1 68.081 -12.485 -18.807 1.00 1.00 H new ATOM 0 H3 MET A 1 69.551 -11.640 -18.902 1.00 1.00 H new ATOM 0 HA MET A 1 68.033 -12.090 -16.381 1.00 1.00 H new ATOM 0 HB2 MET A 1 70.618 -11.709 -16.398 1.00 1.00 H new ATOM 0 HB3 MET A 1 70.254 -10.084 -16.942 1.00 1.00 H new ATOM 0 HG2 MET A 1 70.344 -9.919 -14.547 1.00 1.00 H new ATOM 0 HG3 MET A 1 68.634 -9.908 -14.929 1.00 1.00 H new ATOM 0 HE1 MET A 1 67.664 -12.122 -12.180 1.00 1.00 H new ATOM 0 HE2 MET A 1 68.327 -10.480 -12.355 1.00 1.00 H new ATOM 0 HE3 MET A 1 67.119 -11.081 -13.516 1.00 1.00 H new ATOM 17 N ASN A 2 67.673 -9.923 -18.727 1.00 1.00 N ATOM 18 CA ASN A 2 66.834 -8.776 -19.175 1.00 1.00 C ATOM 19 C ASN A 2 67.242 -7.517 -18.407 1.00 1.00 C ATOM 20 O ASN A 2 68.126 -7.546 -17.575 1.00 1.00 O ATOM 21 CB ASN A 2 65.359 -9.086 -18.905 1.00 1.00 C ATOM 22 CG ASN A 2 65.053 -10.524 -19.329 1.00 1.00 C ATOM 23 OD1 ASN A 2 65.142 -10.858 -20.494 1.00 1.00 O ATOM 24 ND2 ASN A 2 64.693 -11.395 -18.427 1.00 1.00 N ATOM 0 H ASN A 2 68.198 -10.391 -19.465 1.00 1.00 H new ATOM 0 HA ASN A 2 66.980 -8.613 -20.243 1.00 1.00 H new ATOM 0 HB2 ASN A 2 65.136 -8.953 -17.846 1.00 1.00 H new ATOM 0 HB3 ASN A 2 64.724 -8.391 -19.454 1.00 1.00 H new ATOM 0 HD21 ASN A 2 64.486 -12.356 -18.700 1.00 1.00 H new ATOM 0 HD22 ASN A 2 64.618 -11.115 -17.449 1.00 1.00 H new ATOM 31 N LEU A 3 66.605 -6.411 -18.680 1.00 1.00 N ATOM 32 CA LEU A 3 66.959 -5.154 -17.963 1.00 1.00 C ATOM 33 C LEU A 3 66.607 -5.299 -16.481 1.00 1.00 C ATOM 34 O LEU A 3 67.361 -5.854 -15.706 1.00 1.00 O ATOM 35 CB LEU A 3 66.172 -3.984 -18.564 1.00 1.00 C ATOM 36 CG LEU A 3 66.827 -3.544 -19.874 1.00 1.00 C ATOM 37 CD1 LEU A 3 68.187 -2.908 -19.578 1.00 1.00 C ATOM 38 CD2 LEU A 3 67.022 -4.762 -20.780 1.00 1.00 C ATOM 0 H LEU A 3 65.856 -6.324 -19.367 1.00 1.00 H new ATOM 0 HA LEU A 3 68.027 -4.963 -18.067 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.139 -4.282 -18.744 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.146 -3.151 -17.861 1.00 1.00 H new ATOM 0 HG LEU A 3 66.187 -2.817 -20.373 1.00 1.00 H new ATOM 0 HD11 LEU A 3 68.653 -2.595 -20.512 1.00 1.00 H new ATOM 0 HD12 LEU A 3 68.050 -2.041 -18.932 1.00 1.00 H new ATOM 0 HD13 LEU A 3 68.828 -3.635 -19.079 1.00 1.00 H new ATOM 0 HD21 LEU A 3 67.489 -4.450 -21.714 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.662 -5.489 -20.280 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.054 -5.216 -20.992 1.00 1.00 H new ATOM 50 N GLU A 4 65.467 -4.807 -16.080 1.00 1.00 N ATOM 51 CA GLU A 4 65.070 -4.920 -14.648 1.00 1.00 C ATOM 52 C GLU A 4 64.605 -6.356 -14.363 1.00 1.00 C ATOM 53 O GLU A 4 63.712 -6.857 -15.018 1.00 1.00 O ATOM 54 CB GLU A 4 63.922 -3.950 -14.364 1.00 1.00 C ATOM 55 CG GLU A 4 64.434 -2.511 -14.455 1.00 1.00 C ATOM 56 CD GLU A 4 63.325 -1.546 -14.033 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.121 -1.394 -12.840 1.00 1.00 O ATOM 58 OE2 GLU A 4 62.698 -0.975 -14.910 1.00 1.00 O ATOM 0 H GLU A 4 64.794 -4.332 -16.681 1.00 1.00 H new ATOM 0 HA GLU A 4 65.920 -4.677 -14.011 1.00 1.00 H new ATOM 0 HB2 GLU A 4 63.115 -4.106 -15.080 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.510 -4.138 -13.373 1.00 1.00 H new ATOM 0 HG2 GLU A 4 65.306 -2.383 -13.813 1.00 1.00 H new ATOM 0 HG3 GLU A 4 64.753 -2.291 -15.474 1.00 1.00 H new ATOM 65 N PRO A 5 65.198 -7.021 -13.398 1.00 1.00 N ATOM 66 CA PRO A 5 64.818 -8.419 -13.046 1.00 1.00 C ATOM 67 C PRO A 5 63.295 -8.620 -13.030 1.00 1.00 C ATOM 68 O PRO A 5 62.547 -7.694 -12.788 1.00 1.00 O ATOM 69 CB PRO A 5 65.401 -8.604 -11.645 1.00 1.00 C ATOM 70 CG PRO A 5 66.584 -7.692 -11.596 1.00 1.00 C ATOM 71 CD PRO A 5 66.285 -6.521 -12.541 1.00 1.00 C ATOM 0 HA PRO A 5 65.192 -9.140 -13.773 1.00 1.00 H new ATOM 0 HB2 PRO A 5 64.672 -8.347 -10.877 1.00 1.00 H new ATOM 0 HB3 PRO A 5 65.693 -9.640 -11.473 1.00 1.00 H new ATOM 0 HG2 PRO A 5 66.754 -7.335 -10.580 1.00 1.00 H new ATOM 0 HG3 PRO A 5 67.488 -8.216 -11.905 1.00 1.00 H new ATOM 0 HD2 PRO A 5 65.981 -5.631 -11.990 1.00 1.00 H new ATOM 0 HD3 PRO A 5 67.162 -6.248 -13.128 1.00 1.00 H new ATOM 79 N PRO A 6 62.841 -9.821 -13.285 1.00 1.00 N ATOM 80 CA PRO A 6 61.383 -10.144 -13.297 1.00 1.00 C ATOM 81 C PRO A 6 60.792 -10.200 -11.884 1.00 1.00 C ATOM 82 O PRO A 6 61.384 -10.749 -10.975 1.00 1.00 O ATOM 83 CB PRO A 6 61.327 -11.523 -13.959 1.00 1.00 C ATOM 84 CG PRO A 6 62.650 -12.148 -13.662 1.00 1.00 C ATOM 85 CD PRO A 6 63.664 -11.004 -13.587 1.00 1.00 C ATOM 0 HA PRO A 6 60.800 -9.386 -13.820 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.509 -12.121 -13.557 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.162 -11.439 -15.033 1.00 1.00 H new ATOM 0 HG2 PRO A 6 62.617 -12.699 -12.722 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.926 -12.860 -14.439 1.00 1.00 H new ATOM 0 HD2 PRO A 6 64.409 -11.181 -12.811 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.204 -10.886 -14.527 1.00 1.00 H new ATOM 93 N LYS A 7 59.629 -9.640 -11.692 1.00 1.00 N ATOM 94 CA LYS A 7 59.004 -9.667 -10.339 1.00 1.00 C ATOM 95 C LYS A 7 58.525 -11.087 -10.030 1.00 1.00 C ATOM 96 O LYS A 7 58.468 -11.936 -10.897 1.00 1.00 O ATOM 97 CB LYS A 7 57.812 -8.707 -10.306 1.00 1.00 C ATOM 98 CG LYS A 7 58.288 -7.289 -10.627 1.00 1.00 C ATOM 99 CD LYS A 7 57.215 -6.282 -10.209 1.00 1.00 C ATOM 100 CE LYS A 7 55.884 -6.650 -10.868 1.00 1.00 C ATOM 101 NZ LYS A 7 55.248 -7.766 -10.112 1.00 1.00 N ATOM 0 H LYS A 7 59.085 -9.165 -12.413 1.00 1.00 H new ATOM 0 HA LYS A 7 59.737 -9.359 -9.593 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.059 -9.021 -11.028 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.340 -8.730 -9.324 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.221 -7.080 -10.103 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.493 -7.196 -11.693 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.107 -6.279 -9.124 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.512 -5.275 -10.503 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.222 -5.784 -10.885 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.048 -6.945 -11.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 55.409 -8.662 -10.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 55.665 -7.823 -9.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.226 -7.593 -10.032 1.00 1.00 H new ATOM 115 N ALA A 8 58.181 -11.352 -8.800 1.00 1.00 N ATOM 116 CA ALA A 8 57.707 -12.718 -8.438 1.00 1.00 C ATOM 117 C ALA A 8 57.050 -12.682 -7.057 1.00 1.00 C ATOM 118 O ALA A 8 55.926 -12.247 -6.905 1.00 1.00 O ATOM 119 CB ALA A 8 58.897 -13.680 -8.412 1.00 1.00 C ATOM 0 H ALA A 8 58.207 -10.683 -8.031 1.00 1.00 H new ATOM 0 HA ALA A 8 56.981 -13.058 -9.176 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.551 -14.679 -8.147 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.365 -13.707 -9.396 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.624 -13.340 -7.674 1.00 1.00 H new ATOM 125 N GLU A 9 57.741 -13.138 -6.049 1.00 1.00 N ATOM 126 CA GLU A 9 57.155 -13.132 -4.679 1.00 1.00 C ATOM 127 C GLU A 9 58.252 -13.428 -3.654 1.00 1.00 C ATOM 128 O GLU A 9 59.263 -14.024 -3.969 1.00 1.00 O ATOM 129 CB GLU A 9 56.067 -14.204 -4.587 1.00 1.00 C ATOM 130 CG GLU A 9 56.569 -15.498 -5.230 1.00 1.00 C ATOM 131 CD GLU A 9 55.530 -16.603 -5.034 1.00 1.00 C ATOM 132 OE1 GLU A 9 54.353 -16.283 -5.003 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.928 -17.750 -4.919 1.00 1.00 O ATOM 0 H GLU A 9 58.687 -13.515 -6.115 1.00 1.00 H new ATOM 0 HA GLU A 9 56.720 -12.154 -4.473 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.804 -14.382 -3.544 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.162 -13.863 -5.090 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.752 -15.341 -6.293 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.518 -15.794 -4.783 1.00 1.00 H new ATOM 140 N CYS A 10 58.062 -13.017 -2.429 1.00 1.00 N ATOM 141 CA CYS A 10 59.098 -13.278 -1.389 1.00 1.00 C ATOM 142 C CYS A 10 58.906 -14.686 -0.820 1.00 1.00 C ATOM 143 O CYS A 10 59.857 -15.406 -0.588 1.00 1.00 O ATOM 144 CB CYS A 10 58.966 -12.246 -0.265 1.00 1.00 C ATOM 145 SG CYS A 10 57.654 -12.754 0.874 1.00 1.00 S ATOM 0 H CYS A 10 57.237 -12.513 -2.104 1.00 1.00 H new ATOM 0 HA CYS A 10 60.089 -13.200 -1.835 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.911 -12.154 0.271 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.739 -11.265 -0.683 1.00 1.00 H new ATOM 150 N ARG A 11 57.683 -15.081 -0.589 1.00 1.00 N ATOM 151 CA ARG A 11 57.428 -16.440 -0.031 1.00 1.00 C ATOM 152 C ARG A 11 58.259 -16.634 1.241 1.00 1.00 C ATOM 153 O ARG A 11 58.288 -17.703 1.817 1.00 1.00 O ATOM 154 CB ARG A 11 57.814 -17.499 -1.071 1.00 1.00 C ATOM 155 CG ARG A 11 57.744 -18.890 -0.438 1.00 1.00 C ATOM 156 CD ARG A 11 57.459 -19.931 -1.522 1.00 1.00 C ATOM 157 NE ARG A 11 55.986 -20.095 -1.677 1.00 1.00 N ATOM 158 CZ ARG A 11 55.301 -20.731 -0.767 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.905 -21.224 0.280 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.011 -20.875 -0.903 1.00 1.00 N ATOM 0 H ARG A 11 56.849 -14.521 -0.763 1.00 1.00 H new ATOM 0 HA ARG A 11 56.370 -16.543 0.212 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.142 -17.444 -1.927 1.00 1.00 H new ATOM 0 HB3 ARG A 11 58.821 -17.308 -1.443 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.684 -19.120 0.064 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.962 -18.917 0.321 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.902 -19.618 -2.467 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.916 -20.884 -1.255 1.00 1.00 H new ATOM 0 HE ARG A 11 55.513 -19.710 -2.495 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.913 -21.112 0.387 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.369 -21.721 0.991 1.00 1.00 H new ATOM 0 HH21 ARG A 11 53.538 -20.490 -1.721 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.476 -21.372 -0.191 1.00 1.00 H new ATOM 174 N SER A 12 58.931 -15.605 1.686 1.00 1.00 N ATOM 175 CA SER A 12 59.759 -15.722 2.922 1.00 1.00 C ATOM 176 C SER A 12 59.033 -15.050 4.089 1.00 1.00 C ATOM 177 O SER A 12 59.123 -15.483 5.220 1.00 1.00 O ATOM 178 CB SER A 12 61.105 -15.033 2.698 1.00 1.00 C ATOM 179 OG SER A 12 61.951 -15.282 3.812 1.00 1.00 O ATOM 0 H SER A 12 58.942 -14.685 1.245 1.00 1.00 H new ATOM 0 HA SER A 12 59.921 -16.775 3.153 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.569 -15.404 1.784 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.960 -13.960 2.569 1.00 1.00 H new ATOM 0 HG SER A 12 62.278 -14.431 4.171 1.00 1.00 H new ATOM 185 N ALA A 13 58.315 -13.993 3.824 1.00 1.00 N ATOM 186 CA ALA A 13 57.586 -13.294 4.920 1.00 1.00 C ATOM 187 C ALA A 13 58.538 -13.054 6.093 1.00 1.00 C ATOM 188 O ALA A 13 58.188 -13.251 7.240 1.00 1.00 O ATOM 189 CB ALA A 13 56.412 -14.159 5.385 1.00 1.00 C ATOM 0 HA ALA A 13 57.211 -12.338 4.555 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.879 -13.648 6.187 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.733 -14.331 4.550 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.787 -15.115 5.750 1.00 1.00 H new ATOM 195 N THR A 14 59.742 -12.632 5.816 1.00 1.00 N ATOM 196 CA THR A 14 60.716 -12.382 6.915 1.00 1.00 C ATOM 197 C THR A 14 60.344 -11.090 7.645 1.00 1.00 C ATOM 198 O THR A 14 61.046 -10.101 7.573 1.00 1.00 O ATOM 199 CB THR A 14 62.124 -12.250 6.330 1.00 1.00 C ATOM 200 OG1 THR A 14 62.356 -13.312 5.416 1.00 1.00 O ATOM 201 CG2 THR A 14 63.155 -12.310 7.458 1.00 1.00 C ATOM 0 HA THR A 14 60.691 -13.215 7.617 1.00 1.00 H new ATOM 0 HB THR A 14 62.214 -11.296 5.810 1.00 1.00 H new ATOM 0 HG21 THR A 14 64.157 -12.216 7.040 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.976 -11.494 8.158 1.00 1.00 H new ATOM 0 HG23 THR A 14 63.068 -13.263 7.980 1.00 1.00 H new ATOM 209 N ARG A 15 59.245 -11.091 8.348 1.00 1.00 N ATOM 210 CA ARG A 15 58.828 -9.863 9.083 1.00 1.00 C ATOM 211 C ARG A 15 59.968 -9.403 9.995 1.00 1.00 C ATOM 212 O ARG A 15 60.431 -8.283 9.908 1.00 1.00 O ATOM 213 CB ARG A 15 57.590 -10.174 9.925 1.00 1.00 C ATOM 214 CG ARG A 15 57.012 -8.873 10.485 1.00 1.00 C ATOM 215 CD ARG A 15 55.796 -9.187 11.358 1.00 1.00 C ATOM 216 NE ARG A 15 54.639 -9.541 10.489 1.00 1.00 N ATOM 217 CZ ARG A 15 54.412 -10.789 10.181 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.199 -11.726 10.634 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.398 -11.099 9.420 1.00 1.00 N ATOM 0 H ARG A 15 58.617 -11.889 8.445 1.00 1.00 H new ATOM 0 HA ARG A 15 58.594 -9.071 8.371 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.843 -10.684 9.317 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.852 -10.848 10.740 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.768 -8.350 11.071 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.725 -8.210 9.669 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.023 -10.012 12.033 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.548 -8.326 11.979 1.00 1.00 H new ATOM 0 HE ARG A 15 54.024 -8.808 10.135 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.991 -11.483 11.229 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.022 -12.701 10.393 1.00 1.00 H new ATOM 0 HH21 ARG A 15 52.783 -10.366 9.066 1.00 1.00 H new ATOM 0 HH22 ARG A 15 53.220 -12.074 9.179 1.00 1.00 H new ATOM 233 N VAL A 16 60.424 -10.262 10.867 1.00 1.00 N ATOM 234 CA VAL A 16 61.538 -9.884 11.786 1.00 1.00 C ATOM 235 C VAL A 16 62.845 -10.479 11.261 1.00 1.00 C ATOM 236 O VAL A 16 62.878 -11.589 10.768 1.00 1.00 O ATOM 237 CB VAL A 16 61.253 -10.433 13.185 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.196 -11.961 13.133 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.367 -9.998 14.139 1.00 1.00 C ATOM 0 H VAL A 16 60.072 -11.212 10.983 1.00 1.00 H new ATOM 0 HA VAL A 16 61.622 -8.798 11.834 1.00 1.00 H new ATOM 0 HB VAL A 16 60.298 -10.046 13.539 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.993 -12.352 14.130 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.403 -12.273 12.453 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.151 -12.349 12.779 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.165 -10.389 15.136 1.00 1.00 H new ATOM 0 HG22 VAL A 16 63.322 -10.385 13.784 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.409 -8.909 14.177 1.00 1.00 H new ATOM 249 N MET A 17 63.924 -9.750 11.356 1.00 1.00 N ATOM 250 CA MET A 17 65.225 -10.277 10.854 1.00 1.00 C ATOM 251 C MET A 17 65.948 -11.024 11.980 1.00 1.00 C ATOM 252 O MET A 17 65.990 -12.238 12.002 1.00 1.00 O ATOM 253 CB MET A 17 66.091 -9.110 10.363 1.00 1.00 C ATOM 254 CG MET A 17 67.073 -9.612 9.303 1.00 1.00 C ATOM 255 SD MET A 17 68.141 -10.883 10.023 1.00 1.00 S ATOM 256 CE MET A 17 68.032 -12.070 8.661 1.00 1.00 C ATOM 0 H MET A 17 63.961 -8.814 11.759 1.00 1.00 H new ATOM 0 HA MET A 17 65.045 -10.966 10.028 1.00 1.00 H new ATOM 0 HB2 MET A 17 65.460 -8.325 9.946 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.635 -8.671 11.199 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.528 -10.019 8.451 1.00 1.00 H new ATOM 0 HG3 MET A 17 67.676 -8.784 8.929 1.00 1.00 H new ATOM 0 HE1 MET A 17 68.629 -12.951 8.897 1.00 1.00 H new ATOM 0 HE2 MET A 17 66.992 -12.364 8.517 1.00 1.00 H new ATOM 0 HE3 MET A 17 68.409 -11.611 7.747 1.00 1.00 H new ATOM 266 N GLY A 18 66.520 -10.307 12.913 1.00 1.00 N ATOM 267 CA GLY A 18 67.246 -10.973 14.036 1.00 1.00 C ATOM 268 C GLY A 18 66.419 -10.865 15.318 1.00 1.00 C ATOM 269 O GLY A 18 66.659 -10.014 16.152 1.00 1.00 O ATOM 0 H GLY A 18 66.516 -9.288 12.946 1.00 1.00 H new ATOM 0 HA2 GLY A 18 67.427 -12.021 13.795 1.00 1.00 H new ATOM 0 HA3 GLY A 18 68.221 -10.506 14.180 1.00 1.00 H new ATOM 273 N GLY A 19 65.448 -11.721 15.485 1.00 1.00 N ATOM 274 CA GLY A 19 64.611 -11.665 16.716 1.00 1.00 C ATOM 275 C GLY A 19 64.147 -10.226 16.953 1.00 1.00 C ATOM 276 O GLY A 19 64.212 -9.393 16.071 1.00 1.00 O ATOM 0 H GLY A 19 65.199 -12.456 14.823 1.00 1.00 H new ATOM 0 HA2 GLY A 19 63.749 -12.324 16.613 1.00 1.00 H new ATOM 0 HA3 GLY A 19 65.183 -12.020 17.574 1.00 1.00 H new ATOM 280 N PRO A 20 63.680 -9.940 18.139 1.00 1.00 N ATOM 281 CA PRO A 20 63.193 -8.579 18.507 1.00 1.00 C ATOM 282 C PRO A 20 64.190 -7.482 18.117 1.00 1.00 C ATOM 283 O PRO A 20 65.163 -7.242 18.805 1.00 1.00 O ATOM 284 CB PRO A 20 63.031 -8.650 20.029 1.00 1.00 C ATOM 285 CG PRO A 20 62.811 -10.095 20.333 1.00 1.00 C ATOM 286 CD PRO A 20 63.563 -10.886 19.261 1.00 1.00 C ATOM 0 HA PRO A 20 62.271 -8.322 17.986 1.00 1.00 H new ATOM 0 HB2 PRO A 20 63.918 -8.271 20.537 1.00 1.00 H new ATOM 0 HB3 PRO A 20 62.189 -8.045 20.364 1.00 1.00 H new ATOM 0 HG2 PRO A 20 63.181 -10.342 21.328 1.00 1.00 H new ATOM 0 HG3 PRO A 20 61.748 -10.337 20.319 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.542 -11.208 19.616 1.00 1.00 H new ATOM 0 HD3 PRO A 20 63.018 -11.784 18.971 1.00 1.00 H new ATOM 294 N CYS A 21 63.954 -6.817 17.017 1.00 1.00 N ATOM 295 CA CYS A 21 64.883 -5.736 16.575 1.00 1.00 C ATOM 296 C CYS A 21 64.070 -4.518 16.131 1.00 1.00 C ATOM 297 O CYS A 21 63.315 -4.577 15.181 1.00 1.00 O ATOM 298 CB CYS A 21 65.729 -6.239 15.404 1.00 1.00 C ATOM 299 SG CYS A 21 66.663 -4.859 14.698 1.00 1.00 S ATOM 0 H CYS A 21 63.155 -6.977 16.404 1.00 1.00 H new ATOM 0 HA CYS A 21 65.537 -5.456 17.401 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.411 -7.018 15.743 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.088 -6.685 14.644 1.00 1.00 H new ATOM 304 N THR A 22 64.219 -3.414 16.811 1.00 1.00 N ATOM 305 CA THR A 22 63.454 -2.195 16.427 1.00 1.00 C ATOM 306 C THR A 22 64.057 -1.598 15.149 1.00 1.00 C ATOM 307 O THR A 22 65.258 -1.611 14.964 1.00 1.00 O ATOM 308 CB THR A 22 63.539 -1.166 17.558 1.00 1.00 C ATOM 309 OG1 THR A 22 62.781 -0.017 17.208 1.00 1.00 O ATOM 310 CG2 THR A 22 64.999 -0.769 17.781 1.00 1.00 C ATOM 0 H THR A 22 64.837 -3.304 17.615 1.00 1.00 H new ATOM 0 HA THR A 22 62.411 -2.458 16.250 1.00 1.00 H new ATOM 0 HB THR A 22 63.140 -1.599 18.475 1.00 1.00 H new ATOM 0 HG1 THR A 22 62.833 0.642 17.932 1.00 1.00 H new ATOM 0 HG21 THR A 22 65.058 -0.037 18.586 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.579 -1.652 18.050 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.402 -0.335 16.866 1.00 1.00 H new ATOM 318 N PRO A 23 63.235 -1.075 14.272 1.00 1.00 N ATOM 319 CA PRO A 23 63.705 -0.464 13.000 1.00 1.00 C ATOM 320 C PRO A 23 65.001 0.333 13.181 1.00 1.00 C ATOM 321 O PRO A 23 66.023 0.014 12.606 1.00 1.00 O ATOM 322 CB PRO A 23 62.553 0.461 12.610 1.00 1.00 C ATOM 323 CG PRO A 23 61.329 -0.183 13.176 1.00 1.00 C ATOM 324 CD PRO A 23 61.770 -1.003 14.395 1.00 1.00 C ATOM 0 HA PRO A 23 63.940 -1.215 12.246 1.00 1.00 H new ATOM 0 HB2 PRO A 23 62.696 1.462 13.017 1.00 1.00 H new ATOM 0 HB3 PRO A 23 62.479 0.564 11.527 1.00 1.00 H new ATOM 0 HG2 PRO A 23 60.596 0.571 13.464 1.00 1.00 H new ATOM 0 HG3 PRO A 23 60.853 -0.823 12.433 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.472 -0.523 15.327 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.321 -1.996 14.390 1.00 1.00 H new ATOM 332 N ARG A 24 64.966 1.368 13.975 1.00 1.00 N ATOM 333 CA ARG A 24 66.193 2.185 14.192 1.00 1.00 C ATOM 334 C ARG A 24 66.080 2.928 15.526 1.00 1.00 C ATOM 335 O ARG A 24 65.113 3.616 15.785 1.00 1.00 O ATOM 336 CB ARG A 24 66.339 3.196 13.051 1.00 1.00 C ATOM 337 CG ARG A 24 64.962 3.749 12.678 1.00 1.00 C ATOM 338 CD ARG A 24 65.119 4.835 11.612 1.00 1.00 C ATOM 339 NE ARG A 24 65.609 6.090 12.249 1.00 1.00 N ATOM 340 CZ ARG A 24 65.623 7.204 11.569 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.209 7.219 10.332 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.052 8.303 12.127 1.00 1.00 N ATOM 0 H ARG A 24 64.140 1.683 14.483 1.00 1.00 H new ATOM 0 HA ARG A 24 67.067 1.534 14.213 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.999 4.009 13.354 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.798 2.719 12.185 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.326 2.947 12.304 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.472 4.159 13.561 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.819 4.507 10.844 1.00 1.00 H new ATOM 0 HD3 ARG A 24 64.165 5.014 11.117 1.00 1.00 H new ATOM 0 HE ARG A 24 65.933 6.078 13.216 1.00 1.00 H new ATOM 0 HH11 ARG A 24 64.874 6.360 9.896 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.220 8.090 9.801 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.376 8.291 13.094 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.063 9.174 11.596 1.00 1.00 H new ATOM 356 N LYS A 25 67.062 2.791 16.376 1.00 1.00 N ATOM 357 CA LYS A 25 67.012 3.486 17.693 1.00 1.00 C ATOM 358 C LYS A 25 67.083 5.000 17.482 1.00 1.00 C ATOM 359 O LYS A 25 66.166 5.726 17.810 1.00 1.00 O ATOM 360 CB LYS A 25 68.196 3.032 18.550 1.00 1.00 C ATOM 361 CG LYS A 25 68.400 1.525 18.380 1.00 1.00 C ATOM 362 CD LYS A 25 69.379 1.019 19.441 1.00 1.00 C ATOM 363 CE LYS A 25 70.677 1.825 19.365 1.00 1.00 C ATOM 364 NZ LYS A 25 71.777 1.057 20.014 1.00 1.00 N ATOM 0 H LYS A 25 67.897 2.227 16.214 1.00 1.00 H new ATOM 0 HA LYS A 25 66.078 3.239 18.198 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.099 3.568 18.255 1.00 1.00 H new ATOM 0 HB3 LYS A 25 68.012 3.269 19.598 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.446 1.006 18.473 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.784 1.310 17.383 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.937 1.114 20.433 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.586 -0.040 19.284 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.928 2.033 18.325 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.550 2.788 19.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 72.660 1.604 19.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.536 0.881 21.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.904 0.149 19.523 1.00 1.00 H new ATOM 378 N GLY A 26 68.169 5.484 16.941 1.00 1.00 N ATOM 379 CA GLY A 26 68.303 6.953 16.713 1.00 1.00 C ATOM 380 C GLY A 26 69.091 7.199 15.424 1.00 1.00 C ATOM 381 O GLY A 26 69.225 6.321 14.595 1.00 1.00 O ATOM 0 H GLY A 26 68.970 4.925 16.647 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.317 7.412 16.643 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.812 7.418 17.557 1.00 1.00 H new ATOM 385 N PRO A 27 69.609 8.389 15.255 1.00 1.00 N ATOM 386 CA PRO A 27 70.397 8.757 14.045 1.00 1.00 C ATOM 387 C PRO A 27 71.832 8.219 14.108 1.00 1.00 C ATOM 388 O PRO A 27 72.328 7.882 15.165 1.00 1.00 O ATOM 389 CB PRO A 27 70.388 10.287 14.068 1.00 1.00 C ATOM 390 CG PRO A 27 70.253 10.657 15.509 1.00 1.00 C ATOM 391 CD PRO A 27 69.499 9.514 16.197 1.00 1.00 C ATOM 0 HA PRO A 27 69.976 8.334 13.133 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.306 10.692 13.642 1.00 1.00 H new ATOM 0 HB3 PRO A 27 69.561 10.685 13.480 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.233 10.801 15.964 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.711 11.596 15.617 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.942 9.269 17.163 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.458 9.778 16.382 1.00 1.00 H new ATOM 399 N PRO A 28 72.493 8.139 12.983 1.00 1.00 N ATOM 400 CA PRO A 28 73.890 7.636 12.904 1.00 1.00 C ATOM 401 C PRO A 28 74.746 8.103 14.086 1.00 1.00 C ATOM 402 O PRO A 28 74.680 9.244 14.500 1.00 1.00 O ATOM 403 CB PRO A 28 74.403 8.234 11.595 1.00 1.00 C ATOM 404 CG PRO A 28 73.193 8.365 10.727 1.00 1.00 C ATOM 405 CD PRO A 28 71.984 8.524 11.657 1.00 1.00 C ATOM 0 HA PRO A 28 73.937 6.548 12.938 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.875 9.202 11.762 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.151 7.590 11.134 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.285 9.226 10.065 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.078 7.486 10.092 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.613 9.549 11.655 1.00 1.00 H new ATOM 0 HD3 PRO A 28 71.157 7.885 11.347 1.00 1.00 H new ATOM 413 N LYS A 29 75.552 7.227 14.626 1.00 1.00 N ATOM 414 CA LYS A 29 76.421 7.607 15.779 1.00 1.00 C ATOM 415 C LYS A 29 77.882 7.320 15.420 1.00 1.00 C ATOM 416 O LYS A 29 78.467 6.358 15.877 1.00 1.00 O ATOM 417 CB LYS A 29 76.022 6.796 17.023 1.00 1.00 C ATOM 418 CG LYS A 29 75.378 5.477 16.592 1.00 1.00 C ATOM 419 CD LYS A 29 76.413 4.617 15.864 1.00 1.00 C ATOM 420 CE LYS A 29 75.807 3.248 15.546 1.00 1.00 C ATOM 421 NZ LYS A 29 75.635 2.476 16.808 1.00 1.00 N ATOM 0 H LYS A 29 75.646 6.260 14.316 1.00 1.00 H new ATOM 0 HA LYS A 29 76.298 8.668 15.995 1.00 1.00 H new ATOM 0 HB2 LYS A 29 76.900 6.599 17.638 1.00 1.00 H new ATOM 0 HB3 LYS A 29 75.326 7.369 17.635 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.996 4.945 17.463 1.00 1.00 H new ATOM 0 HG3 LYS A 29 74.527 5.672 15.939 1.00 1.00 H new ATOM 0 HD2 LYS A 29 76.728 5.109 14.944 1.00 1.00 H new ATOM 0 HD3 LYS A 29 77.302 4.498 16.483 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.845 3.371 15.048 1.00 1.00 H new ATOM 0 HE3 LYS A 29 76.454 2.703 14.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.554 1.463 16.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.458 2.631 17.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 74.773 2.794 17.295 1.00 1.00 H new ATOM 435 N CYS A 30 78.473 8.147 14.599 1.00 1.00 N ATOM 436 CA CYS A 30 79.893 7.925 14.204 1.00 1.00 C ATOM 437 C CYS A 30 80.636 9.263 14.197 1.00 1.00 C ATOM 438 O CYS A 30 80.099 10.285 14.574 1.00 1.00 O ATOM 439 CB CYS A 30 79.940 7.307 12.805 1.00 1.00 C ATOM 440 SG CYS A 30 81.584 6.610 12.508 1.00 1.00 S ATOM 0 H CYS A 30 78.032 8.968 14.185 1.00 1.00 H new ATOM 0 HA CYS A 30 80.368 7.251 14.916 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.182 6.529 12.714 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.713 8.063 12.054 1.00 1.00 H new ATOM 445 N LYS A 31 81.872 9.263 13.774 1.00 1.00 N ATOM 446 CA LYS A 31 82.656 10.531 13.746 1.00 1.00 C ATOM 447 C LYS A 31 82.582 11.151 12.348 1.00 1.00 C ATOM 448 O LYS A 31 83.545 11.155 11.608 1.00 1.00 O ATOM 449 CB LYS A 31 84.116 10.225 14.101 1.00 1.00 C ATOM 450 CG LYS A 31 84.940 11.514 14.064 1.00 1.00 C ATOM 451 CD LYS A 31 86.123 11.337 13.110 1.00 1.00 C ATOM 452 CE LYS A 31 87.178 10.443 13.764 1.00 1.00 C ATOM 453 NZ LYS A 31 88.244 10.126 12.773 1.00 1.00 N ATOM 0 H LYS A 31 82.373 8.437 13.446 1.00 1.00 H new ATOM 0 HA LYS A 31 82.244 11.235 14.469 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.172 9.775 15.092 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.526 9.500 13.398 1.00 1.00 H new ATOM 0 HG2 LYS A 31 84.317 12.347 13.737 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.299 11.757 15.064 1.00 1.00 H new ATOM 0 HD2 LYS A 31 85.785 10.893 12.174 1.00 1.00 H new ATOM 0 HD3 LYS A 31 86.555 12.308 12.865 1.00 1.00 H new ATOM 0 HE2 LYS A 31 87.609 10.945 14.630 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.718 9.524 14.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 88.907 9.438 13.184 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.813 9.723 11.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 88.758 10.996 12.525 1.00 1.00 H new ATOM 467 N GLN A 32 81.445 11.682 11.985 1.00 1.00 N ATOM 468 CA GLN A 32 81.303 12.311 10.639 1.00 1.00 C ATOM 469 C GLN A 32 81.616 11.284 9.548 1.00 1.00 C ATOM 470 O GLN A 32 82.364 10.350 9.755 1.00 1.00 O ATOM 471 CB GLN A 32 82.271 13.490 10.521 1.00 1.00 C ATOM 472 CG GLN A 32 82.202 14.338 11.792 1.00 1.00 C ATOM 473 CD GLN A 32 83.075 15.583 11.625 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.576 16.658 11.360 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.368 15.481 11.769 1.00 1.00 N ATOM 0 H GLN A 32 80.606 11.707 12.564 1.00 1.00 H new ATOM 0 HA GLN A 32 80.279 12.664 10.516 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.287 13.126 10.369 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.017 14.097 9.652 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.171 14.629 11.992 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.541 13.756 12.649 1.00 1.00 H new ATOM 0 HE21 GLN A 32 84.787 14.578 11.992 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.960 16.304 11.659 1.00 1.00 H new ATOM 484 N ARG A 33 81.048 11.456 8.382 1.00 1.00 N ATOM 485 CA ARG A 33 81.309 10.497 7.268 1.00 1.00 C ATOM 486 C ARG A 33 82.361 11.092 6.330 1.00 1.00 C ATOM 487 O ARG A 33 82.099 11.347 5.171 1.00 1.00 O ATOM 488 CB ARG A 33 80.011 10.256 6.486 1.00 1.00 C ATOM 489 CG ARG A 33 79.142 9.241 7.232 1.00 1.00 C ATOM 490 CD ARG A 33 78.620 9.869 8.526 1.00 1.00 C ATOM 491 NE ARG A 33 78.002 11.190 8.223 1.00 1.00 N ATOM 492 CZ ARG A 33 77.567 11.945 9.194 1.00 1.00 C ATOM 493 NH1 ARG A 33 77.674 11.543 10.431 1.00 1.00 N ATOM 494 NH2 ARG A 33 77.026 13.103 8.929 1.00 1.00 N ATOM 0 H ARG A 33 80.413 12.221 8.153 1.00 1.00 H new ATOM 0 HA ARG A 33 81.669 9.552 7.675 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.469 11.194 6.364 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.240 9.888 5.486 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.307 8.930 6.604 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.722 8.346 7.458 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.887 9.211 8.992 1.00 1.00 H new ATOM 0 HD3 ARG A 33 79.436 9.992 9.238 1.00 1.00 H new ATOM 0 HE ARG A 33 77.919 11.504 7.256 1.00 1.00 H new ATOM 0 HH11 ARG A 33 78.098 10.639 10.639 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.334 12.133 11.190 1.00 1.00 H new ATOM 0 HH21 ARG A 33 76.943 13.418 7.962 1.00 1.00 H new ATOM 0 HH22 ARG A 33 76.686 13.693 9.689 1.00 1.00 H new ATOM 508 N GLN A 34 83.550 11.318 6.819 1.00 1.00 N ATOM 509 CA GLN A 34 84.612 11.899 5.949 1.00 1.00 C ATOM 510 C GLN A 34 85.966 11.798 6.655 1.00 1.00 C ATOM 511 O GLN A 34 86.412 12.726 7.299 1.00 1.00 O ATOM 512 CB GLN A 34 84.291 13.369 5.671 1.00 1.00 C ATOM 513 CG GLN A 34 85.251 13.910 4.610 1.00 1.00 C ATOM 514 CD GLN A 34 84.867 15.349 4.259 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.810 15.709 3.100 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.600 16.192 5.218 1.00 1.00 N ATOM 0 H GLN A 34 83.831 11.126 7.780 1.00 1.00 H new ATOM 0 HA GLN A 34 84.653 11.349 5.009 1.00 1.00 H new ATOM 0 HB2 GLN A 34 83.261 13.469 5.329 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.380 13.951 6.588 1.00 1.00 H new ATOM 0 HG2 GLN A 34 86.276 13.876 4.980 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.214 13.285 3.718 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.648 15.890 6.191 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.343 17.154 4.995 1.00 1.00 H new ATOM 525 N THR A 35 86.625 10.677 6.537 1.00 1.00 N ATOM 526 CA THR A 35 87.950 10.519 7.199 1.00 1.00 C ATOM 527 C THR A 35 88.656 9.285 6.631 1.00 1.00 C ATOM 528 O THR A 35 89.723 8.908 7.074 1.00 1.00 O ATOM 529 CB THR A 35 87.750 10.348 8.709 1.00 1.00 C ATOM 530 OG1 THR A 35 86.693 11.192 9.143 1.00 1.00 O ATOM 531 CG2 THR A 35 89.039 10.722 9.442 1.00 1.00 C ATOM 0 H THR A 35 86.303 9.865 6.011 1.00 1.00 H new ATOM 0 HA THR A 35 88.559 11.404 7.014 1.00 1.00 H new ATOM 0 HB THR A 35 87.500 9.310 8.928 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.829 12.095 8.788 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.896 10.600 10.516 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.849 10.073 9.108 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.293 11.760 9.225 1.00 1.00 H new ATOM 539 N ARG A 36 88.069 8.652 5.652 1.00 1.00 N ATOM 540 CA ARG A 36 88.706 7.443 5.058 1.00 1.00 C ATOM 541 C ARG A 36 88.177 7.231 3.637 1.00 1.00 C ATOM 542 O ARG A 36 88.740 6.487 2.860 1.00 1.00 O ATOM 543 CB ARG A 36 88.378 6.220 5.920 1.00 1.00 C ATOM 544 CG ARG A 36 88.927 4.958 5.251 1.00 1.00 C ATOM 545 CD ARG A 36 89.260 3.916 6.321 1.00 1.00 C ATOM 546 NE ARG A 36 88.025 3.573 7.082 1.00 1.00 N ATOM 547 CZ ARG A 36 87.210 2.662 6.625 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.476 2.051 5.503 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.129 2.361 7.291 1.00 1.00 N ATOM 0 H ARG A 36 87.176 8.920 5.238 1.00 1.00 H new ATOM 0 HA ARG A 36 89.787 7.580 5.022 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.812 6.336 6.913 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.299 6.134 6.052 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.193 4.556 4.552 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.819 5.199 4.673 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.674 3.021 5.856 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.021 4.305 6.998 1.00 1.00 H new ATOM 0 HE ARG A 36 87.817 4.050 7.959 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.321 2.285 4.983 1.00 1.00 H new ATOM 0 HH12 ARG A 36 86.839 1.339 5.146 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.921 2.838 8.168 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.492 1.649 6.934 1.00 1.00 H new ATOM 563 N GLN A 37 87.101 7.884 3.290 1.00 1.00 N ATOM 564 CA GLN A 37 86.539 7.722 1.918 1.00 1.00 C ATOM 565 C GLN A 37 86.424 6.231 1.588 1.00 1.00 C ATOM 566 O GLN A 37 86.694 5.385 2.417 1.00 1.00 O ATOM 567 CB GLN A 37 87.462 8.413 0.908 1.00 1.00 C ATOM 568 CG GLN A 37 87.939 9.750 1.478 1.00 1.00 C ATOM 569 CD GLN A 37 87.828 10.833 0.403 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.914 11.388 -0.061 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 86.742 11.177 -0.019 1.00 1.00 N flip ATOM 0 H GLN A 37 86.587 8.522 3.897 1.00 1.00 H new ATOM 0 HA GLN A 37 85.549 8.176 1.868 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.318 7.775 0.686 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.933 8.575 -0.031 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.339 10.022 2.346 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.971 9.665 1.818 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.893 10.743 0.344 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.679 11.900 -0.736 1.00 1.00 H new ATOM 580 N CYS A 38 86.019 5.896 0.390 1.00 1.00 N ATOM 581 CA CYS A 38 85.883 4.454 0.033 1.00 1.00 C ATOM 582 C CYS A 38 86.054 4.272 -1.478 1.00 1.00 C ATOM 583 O CYS A 38 85.637 5.096 -2.267 1.00 1.00 O ATOM 584 CB CYS A 38 84.498 3.956 0.453 1.00 1.00 C ATOM 585 SG CYS A 38 84.185 4.424 2.173 1.00 1.00 S ATOM 0 H CYS A 38 85.778 6.554 -0.351 1.00 1.00 H new ATOM 0 HA CYS A 38 86.652 3.882 0.551 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.734 4.383 -0.196 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.440 2.873 0.343 1.00 1.00 H new ATOM 590 N LYS A 39 86.660 3.185 -1.877 1.00 1.00 N ATOM 591 CA LYS A 39 86.867 2.911 -3.330 1.00 1.00 C ATOM 592 C LYS A 39 87.452 1.504 -3.478 1.00 1.00 C ATOM 593 O LYS A 39 87.020 0.577 -2.822 1.00 1.00 O ATOM 594 CB LYS A 39 87.841 3.938 -3.919 1.00 1.00 C ATOM 595 CG LYS A 39 87.734 3.933 -5.445 1.00 1.00 C ATOM 596 CD LYS A 39 86.620 4.887 -5.882 1.00 1.00 C ATOM 597 CE LYS A 39 87.035 6.328 -5.582 1.00 1.00 C ATOM 598 NZ LYS A 39 88.521 6.413 -5.514 1.00 1.00 N ATOM 0 H LYS A 39 87.025 2.467 -1.251 1.00 1.00 H new ATOM 0 HA LYS A 39 85.918 2.982 -3.862 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.615 4.932 -3.532 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.861 3.702 -3.615 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.682 4.237 -5.888 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.525 2.925 -5.802 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.423 4.769 -6.947 1.00 1.00 H new ATOM 0 HD3 LYS A 39 85.695 4.647 -5.358 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.657 6.995 -6.357 1.00 1.00 H new ATOM 0 HE3 LYS A 39 86.598 6.655 -4.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.813 7.411 -5.531 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.854 5.970 -4.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.935 5.917 -6.329 1.00 1.00 H new ATOM 612 N SER A 40 88.442 1.331 -4.313 1.00 1.00 N ATOM 613 CA SER A 40 89.050 -0.022 -4.461 1.00 1.00 C ATOM 614 C SER A 40 89.577 -0.450 -3.091 1.00 1.00 C ATOM 615 O SER A 40 88.817 -0.783 -2.203 1.00 1.00 O ATOM 616 CB SER A 40 90.200 0.039 -5.469 1.00 1.00 C ATOM 617 OG SER A 40 91.258 0.817 -4.927 1.00 1.00 O ATOM 0 H SER A 40 88.853 2.062 -4.894 1.00 1.00 H new ATOM 0 HA SER A 40 88.312 -0.738 -4.822 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.553 -0.967 -5.697 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.855 0.476 -6.406 1.00 1.00 H new ATOM 0 HG SER A 40 91.997 0.857 -5.569 1.00 1.00 H new ATOM 623 N LYS A 41 90.866 -0.409 -2.892 1.00 1.00 N ATOM 624 CA LYS A 41 91.417 -0.772 -1.556 1.00 1.00 C ATOM 625 C LYS A 41 92.675 0.063 -1.295 1.00 1.00 C ATOM 626 O LYS A 41 93.789 -0.405 -1.400 1.00 1.00 O ATOM 627 CB LYS A 41 91.735 -2.280 -1.507 1.00 1.00 C ATOM 628 CG LYS A 41 92.932 -2.592 -2.407 1.00 1.00 C ATOM 629 CD LYS A 41 92.735 -1.923 -3.769 1.00 1.00 C ATOM 630 CE LYS A 41 93.763 -2.471 -4.761 1.00 1.00 C ATOM 631 NZ LYS A 41 93.577 -1.812 -6.084 1.00 1.00 N ATOM 0 H LYS A 41 91.558 -0.142 -3.592 1.00 1.00 H new ATOM 0 HA LYS A 41 90.682 -0.560 -0.780 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.952 -2.581 -0.482 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.867 -2.854 -1.831 1.00 1.00 H new ATOM 0 HG2 LYS A 41 93.852 -2.234 -1.944 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.036 -3.670 -2.531 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.725 -2.110 -4.135 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.845 -0.843 -3.675 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.773 -2.291 -4.392 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.648 -3.550 -4.861 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.276 -2.184 -6.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.618 -2.006 -6.437 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.707 -0.785 -5.982 1.00 1.00 H new ATOM 645 N PRO A 42 92.483 1.305 -0.933 1.00 1.00 N ATOM 646 CA PRO A 42 93.571 2.253 -0.621 1.00 1.00 C ATOM 647 C PRO A 42 93.729 2.466 0.887 1.00 1.00 C ATOM 648 O PRO A 42 92.831 2.176 1.653 1.00 1.00 O ATOM 649 CB PRO A 42 93.041 3.528 -1.268 1.00 1.00 C ATOM 650 CG PRO A 42 91.553 3.458 -1.080 1.00 1.00 C ATOM 651 CD PRO A 42 91.191 1.989 -0.805 1.00 1.00 C ATOM 0 HA PRO A 42 94.549 1.921 -0.969 1.00 1.00 H new ATOM 0 HB2 PRO A 42 93.459 4.416 -0.794 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.305 3.576 -2.324 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.241 4.092 -0.250 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.037 3.820 -1.969 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.761 1.858 0.188 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.461 1.612 -1.521 1.00 1.00 H new ATOM 659 N PRO A 43 94.843 2.996 1.312 1.00 1.00 N ATOM 660 CA PRO A 43 95.085 3.278 2.750 1.00 1.00 C ATOM 661 C PRO A 43 94.385 4.572 3.175 1.00 1.00 C ATOM 662 O PRO A 43 94.621 5.623 2.614 1.00 1.00 O ATOM 663 CB PRO A 43 96.604 3.433 2.827 1.00 1.00 C ATOM 664 CG PRO A 43 97.005 3.943 1.482 1.00 1.00 C ATOM 665 CD PRO A 43 95.992 3.385 0.478 1.00 1.00 C ATOM 0 HA PRO A 43 94.701 2.499 3.409 1.00 1.00 H new ATOM 0 HB2 PRO A 43 96.891 4.129 3.615 1.00 1.00 H new ATOM 0 HB3 PRO A 43 97.088 2.482 3.050 1.00 1.00 H new ATOM 0 HG2 PRO A 43 97.005 5.033 1.466 1.00 1.00 H new ATOM 0 HG3 PRO A 43 98.016 3.620 1.232 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.712 4.133 -0.264 1.00 1.00 H new ATOM 0 HD3 PRO A 43 96.397 2.532 -0.066 1.00 1.00 H new ATOM 673 N LYS A 44 93.519 4.506 4.147 1.00 1.00 N ATOM 674 CA LYS A 44 92.805 5.738 4.582 1.00 1.00 C ATOM 675 C LYS A 44 92.145 6.387 3.361 1.00 1.00 C ATOM 676 O LYS A 44 91.083 5.984 2.931 1.00 1.00 O ATOM 677 CB LYS A 44 93.800 6.720 5.212 1.00 1.00 C ATOM 678 CG LYS A 44 94.378 6.117 6.494 1.00 1.00 C ATOM 679 CD LYS A 44 95.632 5.306 6.157 1.00 1.00 C ATOM 680 CE LYS A 44 96.299 4.836 7.450 1.00 1.00 C ATOM 681 NZ LYS A 44 96.532 6.006 8.343 1.00 1.00 N ATOM 0 H LYS A 44 93.276 3.657 4.657 1.00 1.00 H new ATOM 0 HA LYS A 44 92.046 5.481 5.320 1.00 1.00 H new ATOM 0 HB2 LYS A 44 94.603 6.941 4.508 1.00 1.00 H new ATOM 0 HB3 LYS A 44 93.303 7.664 5.435 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.623 6.908 7.202 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.637 5.478 6.974 1.00 1.00 H new ATOM 0 HD2 LYS A 44 95.368 4.448 5.539 1.00 1.00 H new ATOM 0 HD3 LYS A 44 96.326 5.914 5.577 1.00 1.00 H new ATOM 0 HE2 LYS A 44 95.668 4.102 7.951 1.00 1.00 H new ATOM 0 HE3 LYS A 44 97.245 4.342 7.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 97.402 5.855 8.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 96.631 6.867 7.768 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 95.726 6.113 8.992 1.00 1.00 H new ATOM 695 N LYS A 45 92.770 7.384 2.793 1.00 1.00 N ATOM 696 CA LYS A 45 92.181 8.051 1.595 1.00 1.00 C ATOM 697 C LYS A 45 92.761 7.413 0.329 1.00 1.00 C ATOM 698 O LYS A 45 93.867 6.909 0.333 1.00 1.00 O ATOM 699 CB LYS A 45 92.524 9.545 1.626 1.00 1.00 C ATOM 700 CG LYS A 45 91.776 10.271 0.506 1.00 1.00 C ATOM 701 CD LYS A 45 92.709 10.462 -0.692 1.00 1.00 C ATOM 702 CE LYS A 45 93.461 11.786 -0.548 1.00 1.00 C ATOM 703 NZ LYS A 45 94.263 11.767 0.708 1.00 1.00 N ATOM 0 H LYS A 45 93.663 7.765 3.107 1.00 1.00 H new ATOM 0 HA LYS A 45 91.098 7.930 1.599 1.00 1.00 H new ATOM 0 HB2 LYS A 45 92.252 9.970 2.592 1.00 1.00 H new ATOM 0 HB3 LYS A 45 93.599 9.683 1.508 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.898 9.697 0.209 1.00 1.00 H new ATOM 0 HG3 LYS A 45 91.419 11.238 0.860 1.00 1.00 H new ATOM 0 HD2 LYS A 45 93.416 9.635 -0.751 1.00 1.00 H new ATOM 0 HD3 LYS A 45 92.134 10.457 -1.618 1.00 1.00 H new ATOM 0 HE2 LYS A 45 94.114 11.941 -1.407 1.00 1.00 H new ATOM 0 HE3 LYS A 45 92.756 12.617 -0.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 94.960 12.538 0.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 93.632 11.894 1.525 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 94.757 10.856 0.791 1.00 1.00 H new ATOM 717 N GLY A 46 92.023 7.423 -0.752 1.00 1.00 N ATOM 718 CA GLY A 46 92.532 6.808 -2.018 1.00 1.00 C ATOM 719 C GLY A 46 92.523 7.846 -3.142 1.00 1.00 C ATOM 720 O GLY A 46 93.053 8.931 -3.003 1.00 1.00 O ATOM 0 H GLY A 46 91.090 7.830 -0.814 1.00 1.00 H new ATOM 0 HA2 GLY A 46 93.543 6.431 -1.868 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.911 5.955 -2.294 1.00 1.00 H new ATOM 724 N VAL A 47 91.931 7.519 -4.260 1.00 1.00 N ATOM 725 CA VAL A 47 91.893 8.484 -5.396 1.00 1.00 C ATOM 726 C VAL A 47 90.910 9.614 -5.077 1.00 1.00 C ATOM 727 O VAL A 47 90.997 10.252 -4.047 1.00 1.00 O ATOM 728 CB VAL A 47 91.448 7.759 -6.669 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.817 8.600 -7.892 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.151 6.402 -6.754 1.00 1.00 C ATOM 0 H VAL A 47 91.472 6.625 -4.435 1.00 1.00 H new ATOM 0 HA VAL A 47 92.887 8.904 -5.548 1.00 1.00 H new ATOM 0 HB VAL A 47 90.369 7.610 -6.643 1.00 1.00 H new ATOM 0 HG11 VAL A 47 91.500 8.083 -8.798 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.318 9.567 -7.832 1.00 1.00 H new ATOM 0 HG13 VAL A 47 92.896 8.750 -7.918 1.00 1.00 H new ATOM 0 HG21 VAL A 47 91.835 5.885 -7.660 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.230 6.552 -6.780 1.00 1.00 H new ATOM 0 HG23 VAL A 47 91.889 5.801 -5.883 1.00 1.00 H new ATOM 740 N GLN A 48 89.976 9.868 -5.953 1.00 1.00 N ATOM 741 CA GLN A 48 88.993 10.957 -5.698 1.00 1.00 C ATOM 742 C GLN A 48 88.400 10.788 -4.299 1.00 1.00 C ATOM 743 O GLN A 48 88.261 11.739 -3.555 1.00 1.00 O ATOM 744 CB GLN A 48 87.874 10.892 -6.744 1.00 1.00 C ATOM 745 CG GLN A 48 87.161 12.244 -6.815 1.00 1.00 C ATOM 746 CD GLN A 48 86.437 12.510 -5.494 1.00 1.00 C ATOM 747 OE1 GLN A 48 86.803 13.403 -4.756 1.00 1.00 O ATOM 748 NE2 GLN A 48 85.417 11.767 -5.163 1.00 1.00 N ATOM 0 H GLN A 48 89.852 9.368 -6.833 1.00 1.00 H new ATOM 0 HA GLN A 48 89.493 11.923 -5.765 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.288 10.636 -7.719 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.163 10.108 -6.483 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.882 13.037 -7.013 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.448 12.248 -7.640 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.110 11.017 -5.783 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.927 11.936 -4.285 1.00 1.00 H new ATOM 757 N GLY A 49 88.051 9.581 -3.933 1.00 1.00 N ATOM 758 CA GLY A 49 87.469 9.343 -2.579 1.00 1.00 C ATOM 759 C GLY A 49 86.071 8.739 -2.720 1.00 1.00 C ATOM 760 O GLY A 49 85.894 7.539 -2.660 1.00 1.00 O ATOM 0 H GLY A 49 88.145 8.749 -4.515 1.00 1.00 H new ATOM 0 HA2 GLY A 49 88.111 8.671 -2.009 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.417 10.280 -2.025 1.00 1.00 H new ATOM 764 N CYS A 50 85.075 9.563 -2.904 1.00 1.00 N ATOM 765 CA CYS A 50 83.685 9.041 -3.048 1.00 1.00 C ATOM 766 C CYS A 50 83.313 8.986 -4.531 1.00 1.00 C ATOM 767 O CYS A 50 83.372 7.946 -5.158 1.00 1.00 O ATOM 768 CB CYS A 50 82.715 9.967 -2.310 1.00 1.00 C ATOM 769 SG CYS A 50 82.608 9.467 -0.574 1.00 1.00 S ATOM 0 H CYS A 50 85.164 10.578 -2.961 1.00 1.00 H new ATOM 0 HA CYS A 50 83.625 8.039 -2.622 1.00 1.00 H new ATOM 0 HB2 CYS A 50 83.056 11.000 -2.382 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.730 9.923 -2.774 1.00 1.00 H new ATOM 774 N GLY A 51 82.931 10.097 -5.098 1.00 1.00 N ATOM 775 CA GLY A 51 82.555 10.110 -6.539 1.00 1.00 C ATOM 776 C GLY A 51 81.862 11.431 -6.871 1.00 1.00 C ATOM 777 O GLY A 51 81.210 11.565 -7.888 1.00 1.00 O ATOM 0 H GLY A 51 82.863 10.998 -4.624 1.00 1.00 H new ATOM 0 HA2 GLY A 51 83.443 9.987 -7.159 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.893 9.273 -6.761 1.00 1.00 H new ATOM 781 N ASP A 52 81.995 12.410 -6.018 1.00 1.00 N ATOM 782 CA ASP A 52 81.343 13.723 -6.280 1.00 1.00 C ATOM 783 C ASP A 52 82.041 14.811 -5.460 1.00 1.00 C ATOM 784 O ASP A 52 83.248 14.950 -5.499 1.00 1.00 O ATOM 785 CB ASP A 52 79.868 13.645 -5.879 1.00 1.00 C ATOM 786 CG ASP A 52 79.755 13.123 -4.445 1.00 1.00 C ATOM 787 OD1 ASP A 52 80.076 13.871 -3.537 1.00 1.00 O ATOM 788 OD2 ASP A 52 79.351 11.984 -4.281 1.00 1.00 O ATOM 0 H ASP A 52 82.528 12.356 -5.150 1.00 1.00 H new ATOM 0 HA ASP A 52 81.419 13.965 -7.340 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.407 14.630 -5.956 1.00 1.00 H new ATOM 0 HB3 ASP A 52 79.329 12.986 -6.560 1.00 1.00 H new ATOM 793 N ASP A 53 81.294 15.581 -4.716 1.00 1.00 N ATOM 794 CA ASP A 53 81.917 16.657 -3.895 1.00 1.00 C ATOM 795 C ASP A 53 80.942 17.089 -2.796 1.00 1.00 C ATOM 796 O ASP A 53 81.092 18.135 -2.196 1.00 1.00 O ATOM 797 CB ASP A 53 82.242 17.858 -4.787 1.00 1.00 C ATOM 798 CG ASP A 53 83.463 17.536 -5.651 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.555 17.503 -5.109 1.00 1.00 O ATOM 800 OD2 ASP A 53 83.284 17.328 -6.840 1.00 1.00 O ATOM 0 H ASP A 53 80.279 15.511 -4.642 1.00 1.00 H new ATOM 0 HA ASP A 53 82.835 16.282 -3.442 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.387 18.096 -5.420 1.00 1.00 H new ATOM 0 HB3 ASP A 53 82.439 18.737 -4.174 1.00 1.00 H new ATOM 805 N ILE A 54 79.942 16.289 -2.529 1.00 1.00 N ATOM 806 CA ILE A 54 78.953 16.647 -1.469 1.00 1.00 C ATOM 807 C ILE A 54 78.625 15.402 -0.639 1.00 1.00 C ATOM 808 O ILE A 54 77.604 14.772 -0.832 1.00 1.00 O ATOM 809 CB ILE A 54 77.672 17.168 -2.127 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.020 18.310 -3.084 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.716 17.681 -1.049 1.00 1.00 C ATOM 812 CD1 ILE A 54 76.750 18.791 -3.789 1.00 1.00 C ATOM 0 H ILE A 54 79.768 15.401 -3.000 1.00 1.00 H new ATOM 0 HA ILE A 54 79.373 17.418 -0.822 1.00 1.00 H new ATOM 0 HB ILE A 54 77.194 16.360 -2.681 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.477 19.133 -2.534 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.751 17.973 -3.819 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.804 18.052 -1.518 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.468 16.869 -0.366 1.00 1.00 H new ATOM 0 HG23 ILE A 54 77.193 18.489 -0.494 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.998 19.605 -4.471 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.312 17.967 -4.352 1.00 1.00 H new ATOM 0 HD13 ILE A 54 76.034 19.145 -3.047 1.00 1.00 H new ATOM 824 N PRO A 55 79.488 15.051 0.278 1.00 1.00 N ATOM 825 CA PRO A 55 79.297 13.863 1.154 1.00 1.00 C ATOM 826 C PRO A 55 78.406 14.170 2.363 1.00 1.00 C ATOM 827 O PRO A 55 78.274 15.304 2.779 1.00 1.00 O ATOM 828 CB PRO A 55 80.720 13.533 1.603 1.00 1.00 C ATOM 829 CG PRO A 55 81.439 14.843 1.611 1.00 1.00 C ATOM 830 CD PRO A 55 80.749 15.746 0.582 1.00 1.00 C ATOM 0 HA PRO A 55 78.797 13.044 0.637 1.00 1.00 H new ATOM 0 HB2 PRO A 55 80.725 13.074 2.592 1.00 1.00 H new ATOM 0 HB3 PRO A 55 81.195 12.827 0.922 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.405 15.294 2.603 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.491 14.706 1.359 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.567 16.742 0.985 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.360 15.870 -0.312 1.00 1.00 H new ATOM 838 N GLY A 56 77.795 13.165 2.931 1.00 1.00 N ATOM 839 CA GLY A 56 76.915 13.398 4.112 1.00 1.00 C ATOM 840 C GLY A 56 75.557 13.925 3.645 1.00 1.00 C ATOM 841 O GLY A 56 74.525 13.560 4.172 1.00 1.00 O ATOM 0 H GLY A 56 77.867 12.194 2.628 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.784 12.470 4.669 1.00 1.00 H new ATOM 0 HA3 GLY A 56 77.381 14.114 4.789 1.00 1.00 H new ATOM 845 N MET A 57 75.550 14.783 2.662 1.00 1.00 N ATOM 846 CA MET A 57 74.258 15.335 2.162 1.00 1.00 C ATOM 847 C MET A 57 73.475 15.939 3.330 1.00 1.00 C ATOM 848 O MET A 57 73.914 16.876 3.967 1.00 1.00 O ATOM 849 CB MET A 57 73.435 14.215 1.521 1.00 1.00 C ATOM 850 CG MET A 57 74.287 13.486 0.480 1.00 1.00 C ATOM 851 SD MET A 57 73.213 12.512 -0.604 1.00 1.00 S ATOM 852 CE MET A 57 73.066 13.732 -1.933 1.00 1.00 C ATOM 0 H MET A 57 76.383 15.126 2.183 1.00 1.00 H new ATOM 0 HA MET A 57 74.458 16.108 1.420 1.00 1.00 H new ATOM 0 HB2 MET A 57 73.097 13.515 2.285 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.543 14.628 1.051 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.858 14.206 -0.107 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.008 12.836 0.975 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.433 13.333 -2.725 1.00 1.00 H new ATOM 0 HE2 MET A 57 72.622 14.647 -1.540 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.055 13.952 -2.336 1.00 1.00 H new ATOM 862 N GLU A 58 72.316 15.410 3.615 1.00 1.00 N ATOM 863 CA GLU A 58 71.504 15.953 4.740 1.00 1.00 C ATOM 864 C GLU A 58 70.377 14.971 5.069 1.00 1.00 C ATOM 865 O GLU A 58 69.392 14.884 4.363 1.00 1.00 O ATOM 866 CB GLU A 58 70.907 17.303 4.332 1.00 1.00 C ATOM 867 CG GLU A 58 70.440 18.055 5.580 1.00 1.00 C ATOM 868 CD GLU A 58 69.229 17.341 6.183 1.00 1.00 C ATOM 869 OE1 GLU A 58 68.170 17.401 5.580 1.00 1.00 O ATOM 870 OE2 GLU A 58 69.380 16.748 7.238 1.00 1.00 O ATOM 0 H GLU A 58 71.897 14.625 3.117 1.00 1.00 H new ATOM 0 HA GLU A 58 72.136 16.088 5.617 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.650 17.894 3.796 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.069 17.151 3.652 1.00 1.00 H new ATOM 0 HG2 GLU A 58 71.247 18.105 6.311 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.179 19.082 5.323 1.00 1.00 H new ATOM 877 N GLY A 59 70.516 14.230 6.134 1.00 1.00 N ATOM 878 CA GLY A 59 69.454 13.251 6.507 1.00 1.00 C ATOM 879 C GLY A 59 69.714 11.924 5.795 1.00 1.00 C ATOM 880 O GLY A 59 69.101 10.917 6.091 1.00 1.00 O ATOM 0 H GLY A 59 71.319 14.260 6.763 1.00 1.00 H new ATOM 0 HA2 GLY A 59 69.445 13.101 7.587 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.473 13.639 6.231 1.00 1.00 H new ATOM 884 N CYS A 60 70.620 11.914 4.856 1.00 1.00 N ATOM 885 CA CYS A 60 70.923 10.653 4.123 1.00 1.00 C ATOM 886 C CYS A 60 69.640 10.105 3.496 1.00 1.00 C ATOM 887 O CYS A 60 69.625 9.026 2.938 1.00 1.00 O ATOM 888 CB CYS A 60 71.491 9.619 5.096 1.00 1.00 C ATOM 889 SG CYS A 60 72.638 10.428 6.238 1.00 1.00 S ATOM 0 H CYS A 60 71.164 12.726 4.565 1.00 1.00 H new ATOM 0 HA CYS A 60 71.654 10.858 3.340 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.682 9.145 5.652 1.00 1.00 H new ATOM 0 HB3 CYS A 60 72.005 8.831 4.546 1.00 1.00 H new ATOM 894 N GLY A 61 68.562 10.837 3.583 1.00 1.00 N ATOM 895 CA GLY A 61 67.284 10.350 2.990 1.00 1.00 C ATOM 896 C GLY A 61 67.563 9.781 1.600 1.00 1.00 C ATOM 897 O GLY A 61 67.371 8.608 1.349 1.00 1.00 O ATOM 0 H GLY A 61 68.511 11.749 4.038 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.841 9.585 3.628 1.00 1.00 H new ATOM 0 HA3 GLY A 61 66.565 11.166 2.925 1.00 1.00 H new ATOM 901 N THR A 62 68.028 10.607 0.703 1.00 1.00 N ATOM 902 CA THR A 62 68.342 10.133 -0.676 1.00 1.00 C ATOM 903 C THR A 62 67.323 9.081 -1.121 1.00 1.00 C ATOM 904 O THR A 62 67.629 8.208 -1.904 1.00 1.00 O ATOM 905 CB THR A 62 69.750 9.525 -0.694 1.00 1.00 C ATOM 906 OG1 THR A 62 70.068 9.034 0.600 1.00 1.00 O ATOM 907 CG2 THR A 62 70.765 10.595 -1.100 1.00 1.00 C ATOM 0 H THR A 62 68.205 11.598 0.867 1.00 1.00 H new ATOM 0 HA THR A 62 68.296 10.978 -1.363 1.00 1.00 H new ATOM 0 HB THR A 62 69.783 8.706 -1.412 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.967 8.644 0.590 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.765 10.162 -1.112 1.00 1.00 H new ATOM 0 HG22 THR A 62 70.520 10.971 -2.093 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.734 11.416 -0.384 1.00 1.00 H new ATOM 915 N ASP A 63 66.115 9.156 -0.638 1.00 1.00 N ATOM 916 CA ASP A 63 65.094 8.156 -1.055 1.00 1.00 C ATOM 917 C ASP A 63 64.945 8.214 -2.576 1.00 1.00 C ATOM 918 O ASP A 63 63.999 8.775 -3.089 1.00 1.00 O ATOM 919 CB ASP A 63 63.753 8.487 -0.397 1.00 1.00 C ATOM 920 CG ASP A 63 63.802 8.102 1.083 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.154 6.969 1.369 1.00 1.00 O ATOM 922 OD2 ASP A 63 63.485 8.946 1.905 1.00 1.00 O ATOM 0 H ASP A 63 65.792 9.862 0.023 1.00 1.00 H new ATOM 0 HA ASP A 63 65.405 7.157 -0.748 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.538 9.551 -0.500 1.00 1.00 H new ATOM 0 HB3 ASP A 63 62.948 7.949 -0.897 1.00 1.00 H new ATOM 927 N ILE A 64 65.890 7.657 -3.298 1.00 1.00 N ATOM 928 CA ILE A 64 65.831 7.694 -4.793 1.00 1.00 C ATOM 929 C ILE A 64 65.300 9.057 -5.230 1.00 1.00 C ATOM 930 O ILE A 64 64.737 9.220 -6.292 1.00 1.00 O ATOM 931 CB ILE A 64 64.955 6.544 -5.329 1.00 1.00 C ATOM 932 CG1 ILE A 64 64.582 6.826 -6.786 1.00 1.00 C ATOM 933 CG2 ILE A 64 63.680 6.438 -4.490 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.286 5.507 -7.502 1.00 1.00 C ATOM 0 H ILE A 64 66.703 7.176 -2.913 1.00 1.00 H new ATOM 0 HA ILE A 64 66.829 7.555 -5.209 1.00 1.00 H new ATOM 0 HB ILE A 64 65.509 5.607 -5.268 1.00 1.00 H new ATOM 0 HG12 ILE A 64 63.710 7.479 -6.829 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.397 7.349 -7.286 1.00 1.00 H new ATOM 0 HG21 ILE A 64 63.061 5.625 -4.870 1.00 1.00 H new ATOM 0 HG22 ILE A 64 63.944 6.239 -3.451 1.00 1.00 H new ATOM 0 HG23 ILE A 64 63.126 7.375 -4.551 1.00 1.00 H new ATOM 0 HD11 ILE A 64 64.020 5.708 -8.540 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.170 4.870 -7.471 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.457 5.002 -7.006 1.00 1.00 H new ATOM 946 N THR A 65 65.509 10.053 -4.417 1.00 1.00 N ATOM 947 CA THR A 65 65.046 11.416 -4.787 1.00 1.00 C ATOM 948 C THR A 65 65.501 11.691 -6.216 1.00 1.00 C ATOM 949 O THR A 65 65.016 12.584 -6.882 1.00 1.00 O ATOM 950 CB THR A 65 65.669 12.447 -3.843 1.00 1.00 C ATOM 951 OG1 THR A 65 65.381 12.090 -2.499 1.00 1.00 O ATOM 952 CG2 THR A 65 65.089 13.831 -4.141 1.00 1.00 C ATOM 0 H THR A 65 65.979 9.982 -3.515 1.00 1.00 H new ATOM 0 HA THR A 65 63.961 11.483 -4.711 1.00 1.00 H new ATOM 0 HB THR A 65 66.749 12.469 -3.990 1.00 1.00 H new ATOM 0 HG1 THR A 65 65.781 12.748 -1.893 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.533 14.564 -3.468 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.311 14.104 -5.173 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.009 13.812 -3.995 1.00 1.00 H new ATOM 960 N VAL A 66 66.434 10.906 -6.689 1.00 1.00 N ATOM 961 CA VAL A 66 66.941 11.085 -8.073 1.00 1.00 C ATOM 962 C VAL A 66 67.345 9.718 -8.645 1.00 1.00 C ATOM 963 O VAL A 66 66.604 9.107 -9.389 1.00 1.00 O ATOM 964 CB VAL A 66 68.155 12.028 -8.061 1.00 1.00 C ATOM 965 CG1 VAL A 66 68.253 12.753 -9.405 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.989 13.056 -6.940 1.00 1.00 C ATOM 0 H VAL A 66 66.867 10.144 -6.168 1.00 1.00 H new ATOM 0 HA VAL A 66 66.160 11.521 -8.696 1.00 1.00 H new ATOM 0 HB VAL A 66 69.063 11.449 -7.894 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.114 13.421 -9.396 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.370 12.022 -10.205 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.345 13.333 -9.573 1.00 1.00 H new ATOM 0 HG21 VAL A 66 68.849 13.726 -6.930 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.081 13.635 -7.108 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.919 12.541 -5.982 1.00 1.00 H new ATOM 976 N ILE A 67 68.516 9.238 -8.311 1.00 1.00 N ATOM 977 CA ILE A 67 68.969 7.917 -8.841 1.00 1.00 C ATOM 978 C ILE A 67 69.675 7.112 -7.745 1.00 1.00 C ATOM 979 O ILE A 67 70.874 7.216 -7.575 1.00 1.00 O ATOM 980 CB ILE A 67 69.943 8.143 -10.000 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.301 9.075 -11.030 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.270 6.803 -10.661 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.282 9.322 -12.177 1.00 1.00 C ATOM 0 H ILE A 67 69.179 9.705 -7.693 1.00 1.00 H new ATOM 0 HA ILE A 67 68.097 7.361 -9.185 1.00 1.00 H new ATOM 0 HB ILE A 67 70.860 8.595 -9.621 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.381 8.633 -11.413 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.029 10.020 -10.561 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.964 6.964 -11.486 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.726 6.138 -9.928 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.353 6.351 -11.040 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.824 9.986 -12.911 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.189 9.783 -11.787 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.532 8.374 -12.652 1.00 1.00 H new ATOM 995 N CYS A 68 68.969 6.294 -7.017 1.00 1.00 N ATOM 996 CA CYS A 68 69.649 5.481 -5.967 1.00 1.00 C ATOM 997 C CYS A 68 70.157 4.179 -6.599 1.00 1.00 C ATOM 998 O CYS A 68 69.392 3.422 -7.162 1.00 1.00 O ATOM 999 CB CYS A 68 68.661 5.154 -4.843 1.00 1.00 C ATOM 1000 SG CYS A 68 68.670 6.490 -3.622 1.00 1.00 S ATOM 0 H CYS A 68 67.962 6.152 -7.100 1.00 1.00 H new ATOM 0 HA CYS A 68 70.485 6.043 -5.552 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.658 5.027 -5.251 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.933 4.211 -4.368 1.00 1.00 H new ATOM 1005 N PRO A 69 71.442 3.913 -6.523 1.00 1.00 N ATOM 1006 CA PRO A 69 72.041 2.681 -7.115 1.00 1.00 C ATOM 1007 C PRO A 69 71.185 1.431 -6.876 1.00 1.00 C ATOM 1008 O PRO A 69 71.393 0.401 -7.485 1.00 1.00 O ATOM 1009 CB PRO A 69 73.384 2.561 -6.397 1.00 1.00 C ATOM 1010 CG PRO A 69 73.766 3.966 -6.061 1.00 1.00 C ATOM 1011 CD PRO A 69 72.462 4.749 -5.868 1.00 1.00 C ATOM 0 HA PRO A 69 72.126 2.753 -8.199 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.299 1.949 -5.499 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.132 2.090 -7.034 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.371 3.995 -5.155 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.365 4.405 -6.859 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.238 4.897 -4.812 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.519 5.738 -6.323 1.00 1.00 H new ATOM 1019 N TRP A 70 70.225 1.514 -5.997 1.00 1.00 N ATOM 1020 CA TRP A 70 69.361 0.330 -5.726 1.00 1.00 C ATOM 1021 C TRP A 70 68.493 0.042 -6.953 1.00 1.00 C ATOM 1022 O TRP A 70 67.702 -0.881 -6.961 1.00 1.00 O ATOM 1023 CB TRP A 70 68.464 0.624 -4.522 1.00 1.00 C ATOM 1024 CG TRP A 70 67.861 -0.651 -4.025 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.556 -1.685 -3.499 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.458 -1.044 -3.998 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.671 -2.688 -3.150 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.366 -2.342 -3.438 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.270 -0.410 -4.399 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.135 -2.985 -3.282 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.033 -1.053 -4.245 1.00 1.00 C ATOM 1032 CH2 TRP A 70 63.964 -2.337 -3.688 1.00 1.00 C ATOM 0 H TRP A 70 70.001 2.349 -5.455 1.00 1.00 H new ATOM 0 HA TRP A 70 69.985 -0.538 -5.512 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.044 1.097 -3.730 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.678 1.325 -4.803 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.628 -1.721 -3.372 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.948 -3.576 -2.731 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.310 0.580 -4.829 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.088 -3.974 -2.851 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 63.127 -0.555 -4.558 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.008 -2.826 -3.572 1.00 1.00 H new ATOM 1043 N GLU A 71 68.631 0.826 -7.989 1.00 1.00 N ATOM 1044 CA GLU A 71 67.812 0.600 -9.217 1.00 1.00 C ATOM 1045 C GLU A 71 68.655 0.906 -10.459 1.00 1.00 C ATOM 1046 O GLU A 71 68.482 0.304 -11.500 1.00 1.00 O ATOM 1047 CB GLU A 71 66.591 1.525 -9.191 1.00 1.00 C ATOM 1048 CG GLU A 71 65.545 0.966 -8.224 1.00 1.00 C ATOM 1049 CD GLU A 71 64.912 -0.290 -8.827 1.00 1.00 C ATOM 1050 OE1 GLU A 71 64.305 -0.177 -9.879 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.045 -1.343 -8.226 1.00 1.00 O ATOM 0 H GLU A 71 69.276 1.614 -8.038 1.00 1.00 H new ATOM 0 HA GLU A 71 67.484 -0.439 -9.248 1.00 1.00 H new ATOM 0 HB2 GLU A 71 66.888 2.527 -8.882 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.167 1.612 -10.191 1.00 1.00 H new ATOM 0 HG2 GLU A 71 66.009 0.728 -7.267 1.00 1.00 H new ATOM 0 HG3 GLU A 71 64.778 1.715 -8.029 1.00 1.00 H new ATOM 1058 N ALA A 72 69.563 1.839 -10.360 1.00 1.00 N ATOM 1059 CA ALA A 72 70.411 2.181 -11.537 1.00 1.00 C ATOM 1060 C ALA A 72 71.497 1.119 -11.716 1.00 1.00 C ATOM 1061 O ALA A 72 71.534 0.416 -12.706 1.00 1.00 O ATOM 1062 CB ALA A 72 71.065 3.546 -11.314 1.00 1.00 C ATOM 0 H ALA A 72 69.754 2.379 -9.516 1.00 1.00 H new ATOM 0 HA ALA A 72 69.789 2.216 -12.432 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.685 3.797 -12.174 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.292 4.304 -11.191 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.684 3.511 -10.418 1.00 1.00 H new ATOM 1068 N CYS A 73 72.383 0.999 -10.766 1.00 1.00 N ATOM 1069 CA CYS A 73 73.468 -0.016 -10.883 1.00 1.00 C ATOM 1070 C CYS A 73 72.858 -1.372 -11.247 1.00 1.00 C ATOM 1071 O CYS A 73 73.169 -1.948 -12.271 1.00 1.00 O ATOM 1072 CB CYS A 73 74.210 -0.124 -9.547 1.00 1.00 C ATOM 1073 SG CYS A 73 75.987 -0.276 -9.854 1.00 1.00 S ATOM 0 H CYS A 73 72.403 1.560 -9.914 1.00 1.00 H new ATOM 0 HA CYS A 73 74.169 0.285 -11.661 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.010 0.756 -8.936 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.851 -0.989 -8.989 1.00 1.00 H new ATOM 1078 N ASN A 74 71.989 -1.884 -10.417 1.00 1.00 N ATOM 1079 CA ASN A 74 71.357 -3.202 -10.712 1.00 1.00 C ATOM 1080 C ASN A 74 72.448 -4.263 -10.883 1.00 1.00 C ATOM 1081 O ASN A 74 73.570 -3.962 -11.236 1.00 1.00 O ATOM 1082 CB ASN A 74 70.526 -3.098 -12.002 1.00 1.00 C ATOM 1083 CG ASN A 74 69.042 -2.991 -11.646 1.00 1.00 C ATOM 1084 OD1 ASN A 74 68.675 -2.226 -10.655 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 68.208 -3.609 -12.277 1.00 1.00 N flip ATOM 0 H ASN A 74 71.689 -1.445 -9.546 1.00 1.00 H new ATOM 0 HA ASN A 74 70.704 -3.486 -9.887 1.00 1.00 H new ATOM 0 HB2 ASN A 74 70.836 -2.226 -12.578 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.698 -3.972 -12.630 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.495 -4.207 -13.052 1.00 1.00 H new ATOM 0 HD22 ASN A 74 67.221 -3.530 -12.032 1.00 1.00 H new ATOM 1092 N HIS A 75 72.125 -5.504 -10.637 1.00 1.00 N ATOM 1093 CA HIS A 75 73.137 -6.588 -10.786 1.00 1.00 C ATOM 1094 C HIS A 75 74.205 -6.451 -9.696 1.00 1.00 C ATOM 1095 O HIS A 75 74.429 -7.357 -8.918 1.00 1.00 O ATOM 1096 CB HIS A 75 73.794 -6.487 -12.168 1.00 1.00 C ATOM 1097 CG HIS A 75 74.278 -7.846 -12.593 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.613 -8.102 -12.870 1.00 1.00 N ATOM 1099 CD2 HIS A 75 73.618 -9.034 -12.793 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.715 -9.398 -13.218 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.529 -10.009 -13.187 1.00 1.00 N ATOM 0 H HIS A 75 71.200 -5.814 -10.338 1.00 1.00 H new ATOM 0 HA HIS A 75 72.647 -7.557 -10.687 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.080 -6.100 -12.895 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.628 -5.786 -12.136 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.557 -9.187 -12.664 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.641 -9.883 -13.489 1.00 1.00 H new ATOM 0 HE2 HIS A 75 74.332 -10.985 -13.406 1.00 1.00 H new ATOM 1110 N CYS A 76 74.868 -5.328 -9.637 1.00 1.00 N ATOM 1111 CA CYS A 76 75.921 -5.139 -8.600 1.00 1.00 C ATOM 1112 C CYS A 76 76.904 -6.310 -8.653 1.00 1.00 C ATOM 1113 O CYS A 76 76.661 -7.363 -8.097 1.00 1.00 O ATOM 1114 CB CYS A 76 75.270 -5.077 -7.216 1.00 1.00 C ATOM 1115 SG CYS A 76 74.188 -3.629 -7.123 1.00 1.00 S ATOM 0 H CYS A 76 74.726 -4.534 -10.262 1.00 1.00 H new ATOM 0 HA CYS A 76 76.456 -4.208 -8.790 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.697 -5.985 -7.031 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.037 -5.021 -6.444 1.00 1.00 H new ATOM 1120 N GLU A 77 78.011 -6.136 -9.323 1.00 1.00 N ATOM 1121 CA GLU A 77 79.008 -7.239 -9.419 1.00 1.00 C ATOM 1122 C GLU A 77 79.664 -7.462 -8.056 1.00 1.00 C ATOM 1123 O GLU A 77 79.056 -7.263 -7.023 1.00 1.00 O ATOM 1124 CB GLU A 77 80.083 -6.869 -10.443 1.00 1.00 C ATOM 1125 CG GLU A 77 79.418 -6.490 -11.768 1.00 1.00 C ATOM 1126 CD GLU A 77 80.488 -6.337 -12.851 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.129 -5.299 -12.880 1.00 1.00 O ATOM 1128 OE2 GLU A 77 80.648 -7.260 -13.632 1.00 1.00 O ATOM 0 H GLU A 77 78.268 -5.276 -9.808 1.00 1.00 H new ATOM 0 HA GLU A 77 78.503 -8.153 -9.732 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.681 -6.036 -10.073 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.762 -7.708 -10.592 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.699 -7.256 -12.058 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.864 -5.558 -11.655 1.00 1.00 H new ATOM 1135 N LEU A 78 80.903 -7.877 -8.049 1.00 1.00 N ATOM 1136 CA LEU A 78 81.610 -8.119 -6.760 1.00 1.00 C ATOM 1137 C LEU A 78 80.869 -9.188 -5.958 1.00 1.00 C ATOM 1138 O LEU A 78 79.658 -9.190 -5.873 1.00 1.00 O ATOM 1139 CB LEU A 78 81.674 -6.824 -5.949 1.00 1.00 C ATOM 1140 CG LEU A 78 82.140 -5.677 -6.848 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.562 -4.489 -5.982 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.330 -6.142 -7.690 1.00 1.00 C ATOM 0 H LEU A 78 81.457 -8.059 -8.886 1.00 1.00 H new ATOM 0 HA LEU A 78 82.623 -8.461 -6.970 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.693 -6.596 -5.531 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.359 -6.942 -5.109 1.00 1.00 H new ATOM 0 HG LEU A 78 81.324 -5.376 -7.505 1.00 1.00 H new ATOM 0 HD11 LEU A 78 82.894 -3.672 -6.622 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.715 -4.158 -5.381 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.378 -4.790 -5.325 1.00 1.00 H new ATOM 0 HD21 LEU A 78 83.663 -5.326 -8.331 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.146 -6.443 -7.032 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.030 -6.989 -8.307 1.00 1.00 H new ATOM 1154 N HIS A 79 81.596 -10.097 -5.369 1.00 1.00 N ATOM 1155 CA HIS A 79 80.950 -11.176 -4.565 1.00 1.00 C ATOM 1156 C HIS A 79 82.000 -12.235 -4.213 1.00 1.00 C ATOM 1157 O HIS A 79 82.494 -12.943 -5.068 1.00 1.00 O ATOM 1158 CB HIS A 79 79.816 -11.828 -5.378 1.00 1.00 C ATOM 1159 CG HIS A 79 78.493 -11.517 -4.734 1.00 1.00 C ATOM 1160 ND1 HIS A 79 78.044 -10.416 -4.044 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 77.431 -12.408 -4.759 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 76.726 -10.624 -3.649 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 76.405 -11.837 -4.104 1.00 1.00 N flip ATOM 0 H HIS A 79 82.614 -10.140 -5.409 1.00 1.00 H new ATOM 0 HA HIS A 79 80.534 -10.749 -3.653 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.830 -11.457 -6.403 1.00 1.00 H new ATOM 0 HB3 HIS A 79 79.964 -12.907 -5.427 1.00 1.00 H new ATOM 0 HD1 HIS A 79 78.592 -9.577 -3.852 1.00 1.00 H new ATOM 0 HD2 HIS A 79 77.428 -13.384 -5.221 1.00 1.00 H new ATOM 0 HE1 HIS A 79 76.096 -9.947 -3.092 1.00 1.00 H new ATOM 1172 N GLU A 80 82.342 -12.352 -2.958 1.00 1.00 N ATOM 1173 CA GLU A 80 83.356 -13.367 -2.551 1.00 1.00 C ATOM 1174 C GLU A 80 83.057 -13.836 -1.124 1.00 1.00 C ATOM 1175 O GLU A 80 83.010 -15.019 -0.848 1.00 1.00 O ATOM 1176 CB GLU A 80 84.758 -12.746 -2.607 1.00 1.00 C ATOM 1177 CG GLU A 80 84.669 -11.251 -2.296 1.00 1.00 C ATOM 1178 CD GLU A 80 84.175 -10.500 -3.534 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.360 -11.011 -4.626 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.619 -9.426 -3.368 1.00 1.00 O ATOM 0 H GLU A 80 81.963 -11.788 -2.197 1.00 1.00 H new ATOM 0 HA GLU A 80 83.314 -14.218 -3.231 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.414 -13.239 -1.889 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.195 -12.897 -3.594 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.990 -11.083 -1.460 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.646 -10.873 -1.994 1.00 1.00 H new ATOM 1187 N LEU A 81 82.853 -12.919 -0.216 1.00 1.00 N ATOM 1188 CA LEU A 81 82.555 -13.311 1.192 1.00 1.00 C ATOM 1189 C LEU A 81 81.046 -13.245 1.429 1.00 1.00 C ATOM 1190 O LEU A 81 80.484 -14.055 2.140 1.00 1.00 O ATOM 1191 CB LEU A 81 83.272 -12.354 2.151 1.00 1.00 C ATOM 1192 CG LEU A 81 82.822 -10.917 1.881 1.00 1.00 C ATOM 1193 CD1 LEU A 81 81.810 -10.490 2.946 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.035 -9.986 1.930 1.00 1.00 C ATOM 0 H LEU A 81 82.880 -11.914 -0.389 1.00 1.00 H new ATOM 0 HA LEU A 81 82.904 -14.328 1.371 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.052 -12.626 3.183 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.351 -12.437 2.023 1.00 1.00 H new ATOM 0 HG LEU A 81 82.359 -10.861 0.896 1.00 1.00 H new ATOM 0 HD11 LEU A 81 81.489 -9.466 2.754 1.00 1.00 H new ATOM 0 HD12 LEU A 81 80.946 -11.153 2.913 1.00 1.00 H new ATOM 0 HD13 LEU A 81 82.273 -10.546 3.931 1.00 1.00 H new ATOM 0 HD21 LEU A 81 83.716 -8.962 1.738 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.498 -10.043 2.915 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.757 -10.289 1.172 1.00 1.00 H new ATOM 1206 N ALA A 82 80.383 -12.288 0.839 1.00 1.00 N ATOM 1207 CA ALA A 82 78.910 -12.176 1.033 1.00 1.00 C ATOM 1208 C ALA A 82 78.219 -13.387 0.402 1.00 1.00 C ATOM 1209 O ALA A 82 77.782 -14.291 1.086 1.00 1.00 O ATOM 1210 CB ALA A 82 78.401 -10.895 0.367 1.00 1.00 C ATOM 0 H ALA A 82 80.797 -11.580 0.232 1.00 1.00 H new ATOM 0 HA ALA A 82 78.687 -12.144 2.099 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.323 -10.814 0.510 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.892 -10.032 0.816 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.625 -10.926 -0.699 1.00 1.00 H new ATOM 1216 N GLN A 83 78.117 -13.413 -0.899 1.00 1.00 N ATOM 1217 CA GLN A 83 77.454 -14.564 -1.574 1.00 1.00 C ATOM 1218 C GLN A 83 76.131 -14.873 -0.872 1.00 1.00 C ATOM 1219 O GLN A 83 75.871 -15.992 -0.477 1.00 1.00 O ATOM 1220 CB GLN A 83 78.366 -15.789 -1.505 1.00 1.00 C ATOM 1221 CG GLN A 83 79.632 -15.531 -2.325 1.00 1.00 C ATOM 1222 CD GLN A 83 80.377 -16.849 -2.544 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.207 -17.231 -1.743 1.00 1.00 O ATOM 1224 NE2 GLN A 83 80.113 -17.565 -3.602 1.00 1.00 N ATOM 0 H GLN A 83 78.465 -12.686 -1.524 1.00 1.00 H new ATOM 0 HA GLN A 83 77.262 -14.312 -2.617 1.00 1.00 H new ATOM 0 HB2 GLN A 83 78.628 -16.002 -0.469 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.844 -16.666 -1.888 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.372 -15.085 -3.285 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.275 -14.820 -1.807 1.00 1.00 H new ATOM 0 HE21 GLN A 83 79.416 -17.244 -4.274 1.00 1.00 H new ATOM 0 HE22 GLN A 83 80.603 -18.446 -3.757 1.00 1.00 H new ATOM 1233 N TYR A 84 75.291 -13.887 -0.714 1.00 1.00 N ATOM 1234 CA TYR A 84 73.986 -14.123 -0.037 1.00 1.00 C ATOM 1235 C TYR A 84 74.225 -14.799 1.314 1.00 1.00 C ATOM 1236 O TYR A 84 73.922 -15.961 1.498 1.00 1.00 O ATOM 1237 CB TYR A 84 73.114 -15.028 -0.913 1.00 1.00 C ATOM 1238 CG TYR A 84 73.220 -14.588 -2.353 1.00 1.00 C ATOM 1239 CD1 TYR A 84 72.629 -13.386 -2.763 1.00 1.00 C ATOM 1240 CD2 TYR A 84 73.908 -15.381 -3.279 1.00 1.00 C ATOM 1241 CE1 TYR A 84 72.727 -12.978 -4.099 1.00 1.00 C ATOM 1242 CE2 TYR A 84 74.006 -14.972 -4.615 1.00 1.00 C ATOM 1243 CZ TYR A 84 73.415 -13.771 -5.024 1.00 1.00 C ATOM 1244 OH TYR A 84 73.512 -13.368 -6.341 1.00 1.00 O ATOM 0 H TYR A 84 75.452 -12.929 -1.025 1.00 1.00 H new ATOM 0 HA TYR A 84 73.481 -13.170 0.119 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.434 -16.065 -0.814 1.00 1.00 H new ATOM 0 HB3 TYR A 84 72.076 -14.981 -0.583 1.00 1.00 H new ATOM 0 HD1 TYR A 84 72.098 -12.774 -2.049 1.00 1.00 H new ATOM 0 HD2 TYR A 84 74.363 -16.308 -2.963 1.00 1.00 H new ATOM 0 HE1 TYR A 84 72.272 -12.051 -4.415 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.537 -15.583 -5.329 1.00 1.00 H new ATOM 0 HH TYR A 84 74.023 -14.032 -6.849 1.00 1.00 H new ATOM 1254 N GLY A 85 74.767 -14.084 2.262 1.00 1.00 N ATOM 1255 CA GLY A 85 75.023 -14.692 3.600 1.00 1.00 C ATOM 1256 C GLY A 85 74.981 -13.606 4.675 1.00 1.00 C ATOM 1257 O GLY A 85 75.856 -13.516 5.513 1.00 1.00 O ATOM 0 H GLY A 85 75.043 -13.107 2.169 1.00 1.00 H new ATOM 0 HA2 GLY A 85 74.275 -15.456 3.812 1.00 1.00 H new ATOM 0 HA3 GLY A 85 75.995 -15.186 3.606 1.00 1.00 H new ATOM 1261 N ILE A 86 73.967 -12.782 4.660 1.00 1.00 N ATOM 1262 CA ILE A 86 73.867 -11.703 5.683 1.00 1.00 C ATOM 1263 C ILE A 86 75.096 -10.796 5.592 1.00 1.00 C ATOM 1264 O ILE A 86 76.183 -11.234 5.273 1.00 1.00 O ATOM 1265 CB ILE A 86 73.794 -12.326 7.080 1.00 1.00 C ATOM 1266 CG1 ILE A 86 72.838 -13.521 7.055 1.00 1.00 C ATOM 1267 CG2 ILE A 86 73.281 -11.286 8.078 1.00 1.00 C ATOM 1268 CD1 ILE A 86 71.493 -13.086 6.470 1.00 1.00 C ATOM 0 H ILE A 86 73.204 -12.810 3.983 1.00 1.00 H new ATOM 0 HA ILE A 86 72.968 -11.115 5.501 1.00 1.00 H new ATOM 0 HB ILE A 86 74.787 -12.659 7.381 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.263 -14.328 6.457 1.00 1.00 H new ATOM 0 HG13 ILE A 86 72.699 -13.910 8.064 1.00 1.00 H new ATOM 0 HG21 ILE A 86 73.229 -11.730 9.072 1.00 1.00 H new ATOM 0 HG22 ILE A 86 73.960 -10.433 8.096 1.00 1.00 H new ATOM 0 HG23 ILE A 86 72.288 -10.952 7.778 1.00 1.00 H new ATOM 0 HD11 ILE A 86 70.812 -13.937 6.452 1.00 1.00 H new ATOM 0 HD12 ILE A 86 71.068 -12.294 7.086 1.00 1.00 H new ATOM 0 HD13 ILE A 86 71.640 -12.717 5.455 1.00 1.00 H new ATOM 1280 N CYS A 87 74.931 -9.534 5.871 1.00 1.00 N ATOM 1281 CA CYS A 87 76.086 -8.596 5.801 1.00 1.00 C ATOM 1282 C CYS A 87 77.086 -8.934 6.910 1.00 1.00 C ATOM 1283 CB CYS A 87 75.584 -7.161 5.980 1.00 1.00 C ATOM 1284 SG CYS A 87 73.930 -7.007 5.261 1.00 1.00 S ATOM 0 H CYS A 87 74.045 -9.110 6.145 1.00 1.00 H new ATOM 0 HA CYS A 87 76.577 -8.691 4.832 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.558 -6.903 7.039 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.268 -6.462 5.499 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.871 -12.361 5.872 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.731 -13.408 3.932 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.140 -12.310 3.798 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.892 -9.513 5.871 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.144 -13.062 2.101 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.234 -12.197 6.534 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.580 -13.172 3.568 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.233 -12.819 3.558 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.406 -12.951 4.521 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.664 -13.435 2.239 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.399 -12.879 6.049 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.708 -12.247 8.122 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.085 -10.655 6.292 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.575 -10.701 6.512 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.564 -12.065 6.610 1.00 1.00 C HETATM 1305 C1Y RCY A 110 58.207 -10.045 7.845 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.878 -9.990 5.351 1.00 1.00 C HETATM 0 H1ZB RCY A 110 58.199 -10.433 4.408 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 56.798 -10.098 5.454 1.00 1.00 H new HETATM 0 H1YB RCY A 110 57.138 -10.161 8.025 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.286 -12.059 1.697 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.139 -8.932 5.363 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.448 -13.920 6.367 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.527 -14.516 2.243 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.688 -13.747 1.451 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.675 -11.762 6.301 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.095 -1.294 11.810 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.903 -0.694 13.496 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.108 -4.497 11.770 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.596 1.316 11.813 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.296 -2.429 14.515 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.234 -1.554 9.868 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.543 -1.737 13.372 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.462 -3.741 12.495 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.688 -2.504 12.058 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.291 -3.872 13.997 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.188 -2.135 10.660 1.00 1.00 C HETATM 1320 C1V RCY A 121 62.415 -0.917 9.324 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.948 0.171 10.979 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.246 -0.059 10.208 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.102 -1.060 10.683 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.267 0.784 8.930 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.431 0.297 11.107 1.00 1.00 C HETATM 0 H1ZA RCY A 121 67.362 0.050 10.597 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.160 0.546 8.352 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.381 0.565 8.335 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.858 -1.827 9.100 1.00 1.00 H new HETATM 0 H1VA RCY A 121 61.730 -0.070 9.350 1.00 1.00 H new HETATM 0 H1MA RCY A 121 66.196 -2.013 10.096 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.614 -2.263 11.673 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.612 -1.278 12.769 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.411 1.364 11.330 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.275 1.842 9.192 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.167 -0.752 8.552 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.814 -3.074 10.252 1.00 1.00 H new HETATM 0 H1S RCY A 121 64.359 -4.380 14.247 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.050 -1.710 8.805 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.340 -0.508 11.792 1.00 1.00 H new HETATM 1328 C1C RCY A 130 81.739 6.452 6.131 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.559 5.846 7.848 1.00 1.00 O HETATM 1330 O1H RCY A 130 82.086 8.805 10.523 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.786 6.489 5.540 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.189 5.843 10.212 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.166 9.567 7.363 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.170 6.377 8.774 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.612 7.785 10.026 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.003 7.650 8.636 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.526 6.422 10.689 1.00 1.00 C HETATM 1338 C1U RCY A 130 81.187 8.560 7.420 1.00 1.00 C HETATM 1339 C1V RCY A 130 81.516 8.664 4.911 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.533 7.636 6.046 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.973 8.925 6.644 1.00 1.00 C HETATM 1342 C1X RCY A 130 81.044 7.815 6.094 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.452 9.847 5.538 1.00 1.00 C HETATM 1344 C1Z RCY A 130 77.855 8.576 7.626 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.230 7.873 8.370 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.134 10.794 5.974 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.245 10.029 4.813 1.00 1.00 H new HETATM 0 H1VB RCY A 130 82.590 8.831 4.989 1.00 1.00 H new HETATM 0 H1VA RCY A 130 81.296 8.143 3.979 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.345 6.201 10.801 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.801 6.591 6.333 1.00 1.00 H new HETATM 0 H1CA RCY A 130 81.297 5.840 6.917 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.024 8.123 7.085 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.606 9.375 5.039 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.998 9.623 4.922 1.00 1.00 H new HETATM 0 H1U RCY A 130 82.189 8.972 7.542 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.361 5.785 10.396 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.167 4.754 10.253 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.614 5.954 5.170 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.901 4.015 0.247 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.713 2.892 3.692 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.990 1.826 2.878 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.127 2.303 -2.106 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.188 1.671 2.582 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.205 0.571 0.612 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.643 3.040 3.104 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.855 2.121 3.191 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.574 2.254 2.338 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.922 3.177 2.617 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.269 1.980 0.877 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.797 2.055 1.416 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.743 1.788 -0.887 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.377 0.415 -0.669 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.897 2.499 0.450 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.294 -0.651 -0.484 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.265 0.078 -1.867 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.990 0.877 -2.019 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.791 -0.858 -1.678 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.761 -1.607 -0.247 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.632 -0.359 0.331 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.952 2.528 2.386 1.00 1.00 H new HETATM 0 H1VA RCY A 138 78.825 2.348 1.020 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.203 0.153 0.484 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.177 4.506 1.180 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.648 -0.026 -2.759 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.717 -0.747 -1.404 1.00 1.00 H new HETATM 0 H1V RCY A 138 79.830 0.972 1.532 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.073 2.480 0.337 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.108 3.642 3.173 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.741 0.039 1.443 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.138 3.353 0.304 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.629 4.643 0.870 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.442 7.334 -2.335 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.607 4.604 -0.742 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.280 7.056 0.667 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.560 4.508 -3.187 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.187 5.591 0.223 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.254 6.911 -1.514 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.477 5.455 -1.123 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.223 7.748 -0.699 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.086 4.190 -1.890 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.782 2.020 -1.824 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.770 4.297 -1.569 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.066 4.791 -2.984 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.957 3.413 -1.214 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.228 4.020 -4.007 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.769 6.289 -3.063 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.329 6.812 -2.288 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.064 6.667 -4.042 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.511 4.326 -5.014 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.404 2.951 -3.890 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.067 5.375 -3.611 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.456 7.348 1.318 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.147 4.365 0.710 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.702 6.457 -2.915 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.171 4.234 -3.847 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.657 2.108 -2.903 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.005 3.606 -1.933 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.207 7.783 -1.167 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.709 3.681 -3.881 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.203 7.271 1.206 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.416 5.422 4.646 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.135 6.687 6.659 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.181 8.900 3.713 1.00 1.00 O HETATM 1388 O1J RCY A 160 78.225 4.860 1.800 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.453 8.436 6.974 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.281 7.274 2.257 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.299 7.443 6.166 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.981 8.664 4.617 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.973 7.510 4.675 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.161 9.476 5.887 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.502 6.646 3.528 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.756 7.775 3.764 1.00 1.00 C HETATM 1397 N1V RCY A 160 77.266 5.890 2.190 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.292 6.648 1.289 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.016 6.448 3.583 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.028 7.735 0.501 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.615 5.659 0.341 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.150 4.861 0.919 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.853 6.177 -0.241 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.308 8.320 -0.071 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.560 8.389 1.192 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.523 8.191 4.744 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.830 7.606 3.688 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.260 7.109 1.914 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.545 7.983 7.373 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.080 5.763 5.625 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.953 4.462 4.417 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.359 5.233 -0.332 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.741 7.271 -0.180 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.443 8.475 2.989 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.970 5.701 3.637 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.981 10.188 5.789 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.424 8.352 2.326 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.997 8.857 7.819 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.500 5.310 4.654 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.968 1.428 -0.221 1.00 1.00 C HETATM 1405 O1G RCY A 168 68.848 2.339 -0.599 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.177 6.202 -1.995 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.111 1.686 -2.321 1.00 1.00 O HETATM 1408 C1L RCY A 168 68.387 4.056 -2.280 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.685 4.698 0.015 1.00 1.00 C HETATM 1410 C1P RCY A 168 69.178 3.389 -1.147 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.283 5.423 -1.670 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.426 4.192 -0.784 1.00 1.00 N HETATM 1413 C1S RCY A 168 68.824 5.512 -2.083 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.539 3.857 0.211 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.976 2.025 1.207 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.924 2.630 -1.223 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.525 4.027 -1.080 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.086 2.441 0.034 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.993 3.937 -0.653 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.395 4.767 -2.411 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.352 4.768 -2.726 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.739 5.794 -2.291 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.382 4.939 -0.474 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.373 1.948 2.112 1.00 1.00 H new HETATM 0 H1VA RCY A 168 73.433 1.059 0.992 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.385 5.702 -0.285 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.657 3.668 -3.262 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.280 1.426 0.624 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.429 1.702 -1.128 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.002 4.267 -3.166 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.757 2.771 1.354 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.074 3.989 1.188 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.225 6.005 -1.318 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.257 4.799 0.938 1.00 1.00 H new HETATM 0 H1L RCY A 168 67.310 3.925 -2.171 1.00 1.00 H new HETATM 0 H1C RCY A 168 71.398 0.434 -0.341 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.971 -3.624 -5.329 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.860 1.553 -5.133 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.003 -2.012 -7.612 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.802 -3.884 -2.565 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.533 1.170 -7.527 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.105 -0.403 -3.511 1.00 1.00 C HETATM 1429 C1P RCY A 173 76.484 0.808 -6.037 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.729 -1.090 -7.244 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.912 -0.591 -5.816 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.612 -0.235 -8.135 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.599 -1.314 -4.504 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.254 -1.759 -5.351 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.169 -2.612 -3.182 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.328 -1.255 -2.500 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.480 -2.345 -4.648 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.957 -0.635 -2.216 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.117 -1.435 -1.203 1.00 1.00 C HETATM 0 H1ZA RCY A 173 75.311 -0.460 -0.757 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.925 0.126 -3.026 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.648 1.717 -7.853 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.771 -4.068 -4.736 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.542 -1.782 -4.223 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.638 -0.604 -8.148 1.00 1.00 H new HETATM 0 H1L RCY A 173 77.398 1.783 -7.779 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.690 -1.927 -1.567 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.754 0.428 -5.292 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.070 -2.443 -4.602 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.663 0.348 0.118 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.786 -1.398 -6.602 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.208 1.326 -3.253 1.00 1.00 C HETATM 1448 C1P RCY A 176 75.912 -0.462 -5.392 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.180 -2.008 -4.906 1.00 1.00 C HETATM 1450 N1R RCY A 176 74.862 -0.775 -4.328 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.126 -2.607 -5.930 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.563 -0.044 -3.017 1.00 1.00 C HETATM 1453 C1V RCY A 176 72.144 -0.768 -3.208 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.104 0.490 -1.266 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.419 1.781 -2.019 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.353 -0.617 -2.282 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.125 2.486 -2.437 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.262 2.689 -1.124 1.00 1.00 C HETATM 0 H1YB RCY A 176 72.366 3.359 -3.044 1.00 1.00 H new HETATM 0 H1YA RCY A 176 71.508 1.800 -3.017 1.00 1.00 H new HETATM 0 H1VB RCY A 176 72.357 -1.524 -3.964 1.00 1.00 H new HETATM 0 H1MA RCY A 176 75.097 1.940 -3.395 1.00 1.00 H new HETATM 0 H1V RCY A 176 71.938 0.185 -3.696 1.00 1.00 H new HETATM 0 H1M RCY A 176 73.607 1.422 -4.157 1.00 1.00 H new HETATM 0 H1L RCY A 176 76.752 -1.642 -7.044 1.00 1.00 H new HETATM 1461 C1C RCY A 187 72.673 -2.471 1.661 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.385 -3.361 2.599 1.00 1.00 O HETATM 1463 O1H RCY A 187 72.969 -6.618 2.444 1.00 1.00 O HETATM 1464 O1J RCY A 187 75.188 -0.833 1.427 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.628 -5.071 4.178 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.253 -4.255 -0.302 1.00 1.00 C HETATM 1467 C1P RCY A 187 75.592 -4.260 2.876 1.00 1.00 C HETATM 1468 C1Q RCY A 187 73.738 -5.740 2.832 1.00 1.00 C HETATM 1469 N1R RCY A 187 74.449 -4.707 1.966 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.156 -5.486 4.269 1.00 1.00 C HETATM 1471 C1U RCY A 187 74.099 -4.244 0.550 1.00 1.00 C HETATM 1472 C1V RCY A 187 73.002 -2.445 -0.853 1.00 1.00 C HETATM 1473 N1V RCY A 187 74.943 -2.065 0.684 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.957 -2.909 -0.086 1.00 1.00 C HETATM 1475 C1X RCY A 187 73.619 -2.795 0.503 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.290 -2.254 -1.429 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.219 -3.072 0.762 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.953 -3.484 1.735 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.911 -3.748 0.259 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.948 -2.909 -2.000 1.00 1.00 H new HETATM 0 H1VB RCY A 187 72.084 -3.015 -0.993 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.914 -5.085 -0.051 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.300 -5.927 4.118 1.00 1.00 H new HETATM 0 H1CB RCY A 187 71.800 -3.122 1.611 1.00 1.00 H new HETATM 0 H1CA RCY A 187 73.189 -2.629 2.608 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.695 -2.101 0.897 1.00 1.00 H new HETATM 0 H1U RCY A 187 73.321 -4.935 0.225 1.00 1.00 H new HETATM 0 H1S RCY A 187 73.551 -4.702 4.725 1.00 1.00 H new HETATM 0 H1M RCY A 187 74.965 -4.381 -1.346 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.947 -4.474 5.033 1.00 1.00 H new HETATM 0 H1C RCY A 187 72.355 -1.431 1.591 1.00 1.00 H new