USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=15 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 11 ARG H : A 11 ARG N : A 110 RCY C1S :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 11 ARG CG :(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 RCYH1LA : A 110 RCY C1L : A 10 CYS O :(H bumps) USER MOD NoAdj-H: A 110 RCY H1S : A 110 RCY C1S : A 11 ARG N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1S : A 150 RCY C1S : A 49 GLY O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 77 GLU OE1 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 173 RCY C1Z :(H bumps) USER MOD Set 1.1: A 34 GLN : amide:sc= -54.4! C(o=-54!,f=-60!) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0.206 USER MOD Set 2.1: A 1 MET N :NH3+ 158:sc= -1.16! (180deg=-2.04!) USER MOD Set 2.2: A 2 ASN : amide:sc= -5.32! K(o=-6.5!,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0085 (180deg=-0.709) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.303 (180deg=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.000956) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 18:sc= 0.75 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.0365 (180deg=-0.318) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.0923 (180deg=-0.578) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 45:sc= 0.363 USER MOD Single : A 65 THR OG1 : rot -28:sc= 0.653 USER MOD Single : A 74 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.1!) USER MOD Single : A 83 GLN : amide:sc= -0.221 K(o=-0.22,f=-3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.761 -8.687 24.558 1.00 1.00 N ATOM 2 CA MET A 1 71.823 -10.090 24.060 1.00 1.00 C ATOM 3 C MET A 1 70.429 -10.719 24.134 1.00 1.00 C ATOM 4 O MET A 1 70.177 -11.758 23.556 1.00 1.00 O ATOM 5 CB MET A 1 72.797 -10.896 24.926 1.00 1.00 C ATOM 6 CG MET A 1 72.649 -10.475 26.389 1.00 1.00 C ATOM 7 SD MET A 1 73.524 -8.913 26.659 1.00 1.00 S ATOM 8 CE MET A 1 74.220 -9.320 28.279 1.00 1.00 C ATOM 0 H1 MET A 1 72.709 -8.384 24.861 1.00 1.00 H new ATOM 0 H2 MET A 1 71.425 -8.063 23.797 1.00 1.00 H new ATOM 0 H3 MET A 1 71.106 -8.633 25.364 1.00 1.00 H new ATOM 0 HA MET A 1 72.168 -10.095 23.026 1.00 1.00 H new ATOM 0 HB2 MET A 1 72.596 -11.962 24.821 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.821 -10.730 24.591 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.595 -10.362 26.641 1.00 1.00 H new ATOM 0 HG3 MET A 1 73.052 -11.248 27.044 1.00 1.00 H new ATOM 0 HE1 MET A 1 74.811 -8.479 28.643 1.00 1.00 H new ATOM 0 HE2 MET A 1 73.412 -9.527 28.981 1.00 1.00 H new ATOM 0 HE3 MET A 1 74.857 -10.200 28.191 1.00 1.00 H new ATOM 17 N ASN A 2 69.523 -10.096 24.842 1.00 1.00 N ATOM 18 CA ASN A 2 68.141 -10.652 24.958 1.00 1.00 C ATOM 19 C ASN A 2 67.158 -9.729 24.235 1.00 1.00 C ATOM 20 O ASN A 2 66.284 -10.176 23.518 1.00 1.00 O ATOM 21 CB ASN A 2 67.755 -10.748 26.435 1.00 1.00 C ATOM 22 CG ASN A 2 67.998 -9.399 27.115 1.00 1.00 C ATOM 23 OD1 ASN A 2 67.073 -8.766 27.583 1.00 1.00 O ATOM 24 ND2 ASN A 2 69.214 -8.931 27.191 1.00 1.00 N ATOM 0 H ASN A 2 69.681 -9.224 25.346 1.00 1.00 H new ATOM 0 HA ASN A 2 68.108 -11.644 24.507 1.00 1.00 H new ATOM 0 HB2 ASN A 2 66.707 -11.032 26.530 1.00 1.00 H new ATOM 0 HB3 ASN A 2 68.341 -11.525 26.925 1.00 1.00 H new ATOM 0 HD21 ASN A 2 69.388 -8.034 27.643 1.00 1.00 H new ATOM 0 HD22 ASN A 2 69.991 -9.463 26.798 1.00 1.00 H new ATOM 31 N LEU A 3 67.292 -8.444 24.419 1.00 1.00 N ATOM 32 CA LEU A 3 66.364 -7.494 23.744 1.00 1.00 C ATOM 33 C LEU A 3 66.570 -7.561 22.229 1.00 1.00 C ATOM 34 O LEU A 3 67.678 -7.696 21.748 1.00 1.00 O ATOM 35 CB LEU A 3 66.628 -6.067 24.248 1.00 1.00 C ATOM 36 CG LEU A 3 67.955 -5.557 23.684 1.00 1.00 C ATOM 37 CD1 LEU A 3 68.203 -4.128 24.172 1.00 1.00 C ATOM 38 CD2 LEU A 3 69.092 -6.462 24.161 1.00 1.00 C ATOM 0 H LEU A 3 68.004 -8.011 25.008 1.00 1.00 H new ATOM 0 HA LEU A 3 65.335 -7.768 23.975 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.815 -5.408 23.944 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.657 -6.056 25.338 1.00 1.00 H new ATOM 0 HG LEU A 3 67.914 -5.566 22.595 1.00 1.00 H new ATOM 0 HD11 LEU A 3 69.149 -3.765 23.770 1.00 1.00 H new ATOM 0 HD12 LEU A 3 67.393 -3.482 23.833 1.00 1.00 H new ATOM 0 HD13 LEU A 3 68.244 -4.117 25.261 1.00 1.00 H new ATOM 0 HD21 LEU A 3 70.038 -6.100 23.760 1.00 1.00 H new ATOM 0 HD22 LEU A 3 69.132 -6.452 25.250 1.00 1.00 H new ATOM 0 HD23 LEU A 3 68.917 -7.480 23.814 1.00 1.00 H new ATOM 50 N GLU A 4 65.510 -7.466 21.471 1.00 1.00 N ATOM 51 CA GLU A 4 65.645 -7.523 19.987 1.00 1.00 C ATOM 52 C GLU A 4 65.845 -6.101 19.443 1.00 1.00 C ATOM 53 O GLU A 4 65.122 -5.193 19.804 1.00 1.00 O ATOM 54 CB GLU A 4 64.370 -8.121 19.386 1.00 1.00 C ATOM 55 CG GLU A 4 64.630 -8.526 17.934 1.00 1.00 C ATOM 56 CD GLU A 4 63.375 -9.180 17.353 1.00 1.00 C ATOM 57 OE1 GLU A 4 62.411 -9.323 18.088 1.00 1.00 O ATOM 58 OE2 GLU A 4 63.398 -9.527 16.184 1.00 1.00 O ATOM 0 H GLU A 4 64.557 -7.351 21.816 1.00 1.00 H new ATOM 0 HA GLU A 4 66.501 -8.142 19.719 1.00 1.00 H new ATOM 0 HB2 GLU A 4 64.055 -8.989 19.966 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.558 -7.395 19.432 1.00 1.00 H new ATOM 0 HG2 GLU A 4 64.903 -7.651 17.345 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.470 -9.219 17.884 1.00 1.00 H new ATOM 65 N PRO A 5 66.815 -5.899 18.582 1.00 1.00 N ATOM 66 CA PRO A 5 67.092 -4.559 17.994 1.00 1.00 C ATOM 67 C PRO A 5 65.801 -3.809 17.629 1.00 1.00 C ATOM 68 O PRO A 5 64.889 -4.383 17.067 1.00 1.00 O ATOM 69 CB PRO A 5 67.896 -4.887 16.736 1.00 1.00 C ATOM 70 CG PRO A 5 68.611 -6.159 17.056 1.00 1.00 C ATOM 71 CD PRO A 5 67.748 -6.917 18.073 1.00 1.00 C ATOM 0 HA PRO A 5 67.615 -3.904 18.690 1.00 1.00 H new ATOM 0 HB2 PRO A 5 67.244 -5.007 15.871 1.00 1.00 H new ATOM 0 HB3 PRO A 5 68.598 -4.089 16.497 1.00 1.00 H new ATOM 0 HG2 PRO A 5 68.758 -6.755 16.155 1.00 1.00 H new ATOM 0 HG3 PRO A 5 69.599 -5.953 17.467 1.00 1.00 H new ATOM 0 HD2 PRO A 5 67.217 -7.746 17.606 1.00 1.00 H new ATOM 0 HD3 PRO A 5 68.354 -7.338 18.875 1.00 1.00 H new ATOM 79 N PRO A 6 65.720 -2.536 17.937 1.00 1.00 N ATOM 80 CA PRO A 6 64.516 -1.714 17.624 1.00 1.00 C ATOM 81 C PRO A 6 64.452 -1.332 16.142 1.00 1.00 C ATOM 82 O PRO A 6 65.465 -1.169 15.491 1.00 1.00 O ATOM 83 CB PRO A 6 64.700 -0.467 18.492 1.00 1.00 C ATOM 84 CG PRO A 6 66.178 -0.326 18.649 1.00 1.00 C ATOM 85 CD PRO A 6 66.761 -1.743 18.612 1.00 1.00 C ATOM 0 HA PRO A 6 63.589 -2.251 17.823 1.00 1.00 H new ATOM 0 HB2 PRO A 6 64.267 0.413 18.017 1.00 1.00 H new ATOM 0 HB3 PRO A 6 64.209 -0.582 19.458 1.00 1.00 H new ATOM 0 HG2 PRO A 6 66.596 0.286 17.849 1.00 1.00 H new ATOM 0 HG3 PRO A 6 66.422 0.169 19.589 1.00 1.00 H new ATOM 0 HD2 PRO A 6 67.704 -1.773 18.065 1.00 1.00 H new ATOM 0 HD3 PRO A 6 66.962 -2.119 19.615 1.00 1.00 H new ATOM 93 N LYS A 7 63.272 -1.187 15.604 1.00 1.00 N ATOM 94 CA LYS A 7 63.154 -0.814 14.167 1.00 1.00 C ATOM 95 C LYS A 7 61.803 -0.147 13.919 1.00 1.00 C ATOM 96 O LYS A 7 61.680 0.745 13.105 1.00 1.00 O ATOM 97 CB LYS A 7 63.283 -2.066 13.290 1.00 1.00 C ATOM 98 CG LYS A 7 62.410 -3.187 13.857 1.00 1.00 C ATOM 99 CD LYS A 7 63.160 -3.899 14.984 1.00 1.00 C ATOM 100 CE LYS A 7 62.677 -5.347 15.085 1.00 1.00 C ATOM 101 NZ LYS A 7 61.190 -5.381 14.997 1.00 1.00 N ATOM 0 H LYS A 7 62.387 -1.310 16.096 1.00 1.00 H new ATOM 0 HA LYS A 7 63.952 -0.117 13.912 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.980 -1.838 12.268 1.00 1.00 H new ATOM 0 HB3 LYS A 7 64.324 -2.388 13.250 1.00 1.00 H new ATOM 0 HG2 LYS A 7 61.472 -2.777 14.232 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.155 -3.897 13.070 1.00 1.00 H new ATOM 0 HD2 LYS A 7 64.233 -3.875 14.793 1.00 1.00 H new ATOM 0 HD3 LYS A 7 62.993 -3.382 15.929 1.00 1.00 H new ATOM 0 HE2 LYS A 7 63.113 -5.944 14.284 1.00 1.00 H new ATOM 0 HE3 LYS A 7 63.007 -5.787 16.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 60.834 -6.236 15.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.795 -4.539 15.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.902 -5.392 13.998 1.00 1.00 H new ATOM 115 N ALA A 8 60.790 -0.571 14.618 1.00 1.00 N ATOM 116 CA ALA A 8 59.440 0.035 14.430 1.00 1.00 C ATOM 117 C ALA A 8 59.156 0.203 12.935 1.00 1.00 C ATOM 118 O ALA A 8 58.873 1.288 12.466 1.00 1.00 O ATOM 119 CB ALA A 8 59.398 1.404 15.113 1.00 1.00 C ATOM 0 H ALA A 8 60.837 -1.314 15.315 1.00 1.00 H new ATOM 0 HA ALA A 8 58.686 -0.617 14.871 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.412 1.849 14.977 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.599 1.286 16.178 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.153 2.054 14.672 1.00 1.00 H new ATOM 125 N GLU A 9 59.233 -0.863 12.182 1.00 1.00 N ATOM 126 CA GLU A 9 58.972 -0.771 10.714 1.00 1.00 C ATOM 127 C GLU A 9 58.066 -1.926 10.283 1.00 1.00 C ATOM 128 O GLU A 9 58.513 -2.893 9.699 1.00 1.00 O ATOM 129 CB GLU A 9 60.300 -0.860 9.953 1.00 1.00 C ATOM 130 CG GLU A 9 61.108 0.421 10.173 1.00 1.00 C ATOM 131 CD GLU A 9 61.034 1.293 8.918 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.347 0.789 7.852 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.667 2.449 9.045 1.00 1.00 O ATOM 0 H GLU A 9 59.466 -1.796 12.521 1.00 1.00 H new ATOM 0 HA GLU A 9 58.485 0.178 10.492 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.869 -1.724 10.296 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.112 -1.004 8.889 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.717 0.967 11.032 1.00 1.00 H new ATOM 0 HG3 GLU A 9 62.146 0.175 10.397 1.00 1.00 H new ATOM 140 N CYS A 10 56.794 -1.834 10.562 1.00 1.00 N ATOM 141 CA CYS A 10 55.864 -2.929 10.164 1.00 1.00 C ATOM 142 C CYS A 10 56.082 -3.270 8.689 1.00 1.00 C ATOM 143 O CYS A 10 56.155 -4.423 8.313 1.00 1.00 O ATOM 144 CB CYS A 10 54.419 -2.472 10.371 1.00 1.00 C ATOM 145 SG CYS A 10 53.992 -1.237 9.119 1.00 1.00 S ATOM 0 H CYS A 10 56.359 -1.049 11.047 1.00 1.00 H new ATOM 0 HA CYS A 10 56.058 -3.810 10.775 1.00 1.00 H new ATOM 0 HB2 CYS A 10 53.743 -3.324 10.302 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.299 -2.050 11.369 1.00 1.00 H new ATOM 150 N ARG A 11 56.182 -2.275 7.850 1.00 1.00 N ATOM 151 CA ARG A 11 56.391 -2.541 6.399 1.00 1.00 C ATOM 152 C ARG A 11 57.752 -3.209 6.193 1.00 1.00 C ATOM 153 O ARG A 11 58.733 -2.560 5.888 1.00 1.00 O ATOM 154 CB ARG A 11 56.347 -1.220 5.627 1.00 1.00 C ATOM 155 CG ARG A 11 56.318 -1.507 4.124 1.00 1.00 C ATOM 156 CD ARG A 11 56.339 -0.187 3.352 1.00 1.00 C ATOM 157 NE ARG A 11 57.673 0.458 3.506 1.00 1.00 N ATOM 158 CZ ARG A 11 58.050 1.386 2.669 1.00 1.00 C ATOM 159 NH1 ARG A 11 57.259 1.749 1.698 1.00 1.00 N ATOM 160 NH2 ARG A 11 59.219 1.950 2.805 1.00 1.00 N ATOM 0 HA ARG A 11 55.605 -3.201 6.033 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.466 -0.647 5.916 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.217 -0.612 5.875 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.176 -2.118 3.843 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.424 -2.076 3.869 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.130 -0.367 2.297 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.558 0.476 3.723 1.00 1.00 H new ATOM 0 HE ARG A 11 58.292 0.174 4.266 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.345 1.308 1.592 1.00 1.00 H new ATOM 0 HH12 ARG A 11 57.554 2.474 1.044 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.837 1.666 3.565 1.00 1.00 H new ATOM 0 HH22 ARG A 11 59.514 2.675 2.151 1.00 1.00 H new ATOM 174 N SER A 12 57.817 -4.501 6.357 1.00 1.00 N ATOM 175 CA SER A 12 59.112 -5.213 6.171 1.00 1.00 C ATOM 176 C SER A 12 58.872 -6.723 6.211 1.00 1.00 C ATOM 177 O SER A 12 58.911 -7.395 5.199 1.00 1.00 O ATOM 178 CB SER A 12 60.075 -4.820 7.292 1.00 1.00 C ATOM 179 OG SER A 12 61.280 -5.561 7.157 1.00 1.00 O ATOM 0 H SER A 12 57.028 -5.095 6.612 1.00 1.00 H new ATOM 0 HA SER A 12 59.544 -4.938 5.209 1.00 1.00 H new ATOM 0 HB2 SER A 12 60.285 -3.751 7.249 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.621 -5.016 8.263 1.00 1.00 H new ATOM 0 HG SER A 12 61.900 -5.310 7.873 1.00 1.00 H new ATOM 185 N ALA A 13 58.622 -7.263 7.373 1.00 1.00 N ATOM 186 CA ALA A 13 58.378 -8.729 7.477 1.00 1.00 C ATOM 187 C ALA A 13 59.508 -9.486 6.776 1.00 1.00 C ATOM 188 O ALA A 13 60.431 -8.896 6.250 1.00 1.00 O ATOM 189 CB ALA A 13 57.044 -9.073 6.812 1.00 1.00 C ATOM 0 H ALA A 13 58.576 -6.752 8.254 1.00 1.00 H new ATOM 0 HA ALA A 13 58.345 -9.018 8.528 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.865 -10.146 6.888 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.239 -8.535 7.312 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.076 -8.784 5.761 1.00 1.00 H new ATOM 195 N THR A 14 59.444 -10.791 6.765 1.00 1.00 N ATOM 196 CA THR A 14 60.514 -11.587 6.099 1.00 1.00 C ATOM 197 C THR A 14 60.127 -11.844 4.641 1.00 1.00 C ATOM 198 O THR A 14 60.656 -11.235 3.731 1.00 1.00 O ATOM 199 CB THR A 14 60.678 -12.925 6.825 1.00 1.00 C ATOM 200 OG1 THR A 14 60.757 -12.695 8.224 1.00 1.00 O ATOM 201 CG2 THR A 14 61.956 -13.615 6.346 1.00 1.00 C ATOM 0 H THR A 14 58.696 -11.340 7.189 1.00 1.00 H new ATOM 0 HA THR A 14 61.453 -11.035 6.134 1.00 1.00 H new ATOM 0 HB THR A 14 59.821 -13.564 6.609 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.860 -13.550 8.691 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.071 -14.567 6.864 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.894 -13.791 5.272 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.815 -12.979 6.560 1.00 1.00 H new ATOM 209 N ARG A 15 59.209 -12.742 4.411 1.00 1.00 N ATOM 210 CA ARG A 15 58.786 -13.040 3.013 1.00 1.00 C ATOM 211 C ARG A 15 60.022 -13.291 2.145 1.00 1.00 C ATOM 212 O ARG A 15 60.915 -14.027 2.517 1.00 1.00 O ATOM 213 CB ARG A 15 58.000 -11.852 2.450 1.00 1.00 C ATOM 214 CG ARG A 15 57.184 -12.305 1.237 1.00 1.00 C ATOM 215 CD ARG A 15 56.951 -11.115 0.305 1.00 1.00 C ATOM 216 NE ARG A 15 56.865 -9.863 1.110 1.00 1.00 N ATOM 217 CZ ARG A 15 56.474 -8.752 0.548 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.158 -8.737 -0.718 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.399 -7.656 1.252 1.00 1.00 N ATOM 0 H ARG A 15 58.732 -13.283 5.132 1.00 1.00 H new ATOM 0 HA ARG A 15 58.154 -13.928 3.009 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.338 -11.445 3.215 1.00 1.00 H new ATOM 0 HB3 ARG A 15 58.684 -11.053 2.163 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.711 -13.098 0.707 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.229 -12.719 1.562 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.764 -11.040 -0.417 1.00 1.00 H new ATOM 0 HD3 ARG A 15 56.032 -11.259 -0.263 1.00 1.00 H new ATOM 0 HE ARG A 15 57.112 -9.875 2.100 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.217 -9.594 -1.268 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.852 -7.869 -1.157 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.646 -7.668 2.242 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.093 -6.788 0.813 1.00 1.00 H new ATOM 233 N VAL A 16 60.080 -12.687 0.988 1.00 1.00 N ATOM 234 CA VAL A 16 61.257 -12.894 0.098 1.00 1.00 C ATOM 235 C VAL A 16 61.343 -11.745 -0.914 1.00 1.00 C ATOM 236 O VAL A 16 61.883 -10.695 -0.626 1.00 1.00 O ATOM 237 CB VAL A 16 61.109 -14.236 -0.633 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.690 -14.361 -1.190 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.115 -14.301 -1.784 1.00 1.00 C ATOM 0 H VAL A 16 59.364 -12.060 0.622 1.00 1.00 H new ATOM 0 HA VAL A 16 62.171 -12.910 0.691 1.00 1.00 H new ATOM 0 HB VAL A 16 61.298 -15.052 0.064 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.585 -15.314 -1.709 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.972 -14.313 -0.371 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.500 -13.545 -1.888 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.012 -15.253 -2.304 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.924 -13.484 -2.480 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.127 -14.212 -1.388 1.00 1.00 H new ATOM 249 N MET A 17 60.820 -11.929 -2.097 1.00 1.00 N ATOM 250 CA MET A 17 60.884 -10.840 -3.114 1.00 1.00 C ATOM 251 C MET A 17 59.894 -11.141 -4.246 1.00 1.00 C ATOM 252 O MET A 17 59.391 -12.241 -4.365 1.00 1.00 O ATOM 253 CB MET A 17 62.332 -10.737 -3.645 1.00 1.00 C ATOM 254 CG MET A 17 62.386 -11.184 -5.107 1.00 1.00 C ATOM 255 SD MET A 17 61.874 -12.916 -5.227 1.00 1.00 S ATOM 256 CE MET A 17 62.367 -13.179 -6.949 1.00 1.00 C ATOM 0 H MET A 17 60.353 -12.783 -2.402 1.00 1.00 H new ATOM 0 HA MET A 17 60.608 -9.884 -2.669 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.688 -9.711 -3.556 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.994 -11.358 -3.042 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.733 -10.558 -5.714 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.396 -11.064 -5.498 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.138 -14.204 -7.241 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.823 -12.488 -7.593 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.438 -13.003 -7.052 1.00 1.00 H new ATOM 266 N GLY A 18 59.611 -10.170 -5.076 1.00 1.00 N ATOM 267 CA GLY A 18 58.655 -10.392 -6.202 1.00 1.00 C ATOM 268 C GLY A 18 57.475 -9.429 -6.067 1.00 1.00 C ATOM 269 O GLY A 18 57.647 -8.229 -5.986 1.00 1.00 O ATOM 0 H GLY A 18 60.002 -9.230 -5.022 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.158 -10.236 -7.156 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.300 -11.422 -6.194 1.00 1.00 H new ATOM 273 N GLY A 19 56.276 -9.943 -6.044 1.00 1.00 N ATOM 274 CA GLY A 19 55.087 -9.054 -5.916 1.00 1.00 C ATOM 275 C GLY A 19 55.148 -7.964 -6.987 1.00 1.00 C ATOM 276 O GLY A 19 55.934 -8.034 -7.911 1.00 1.00 O ATOM 0 H GLY A 19 56.068 -10.940 -6.108 1.00 1.00 H new ATOM 0 HA2 GLY A 19 54.171 -9.635 -6.025 1.00 1.00 H new ATOM 0 HA3 GLY A 19 55.062 -8.603 -4.924 1.00 1.00 H new ATOM 280 N PRO A 20 54.319 -6.963 -6.860 1.00 1.00 N ATOM 281 CA PRO A 20 54.267 -5.827 -7.829 1.00 1.00 C ATOM 282 C PRO A 20 55.591 -5.058 -7.891 1.00 1.00 C ATOM 283 O PRO A 20 55.624 -3.892 -8.234 1.00 1.00 O ATOM 284 CB PRO A 20 53.146 -4.922 -7.288 1.00 1.00 C ATOM 285 CG PRO A 20 52.366 -5.763 -6.332 1.00 1.00 C ATOM 286 CD PRO A 20 53.335 -6.806 -5.779 1.00 1.00 C ATOM 0 HA PRO A 20 54.086 -6.176 -8.846 1.00 1.00 H new ATOM 0 HB2 PRO A 20 53.559 -4.045 -6.790 1.00 1.00 H new ATOM 0 HB3 PRO A 20 52.512 -4.560 -8.097 1.00 1.00 H new ATOM 0 HG2 PRO A 20 51.952 -5.154 -5.528 1.00 1.00 H new ATOM 0 HG3 PRO A 20 51.526 -6.242 -6.834 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.804 -6.469 -4.855 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.830 -7.746 -5.556 1.00 1.00 H new ATOM 294 N CYS A 21 56.682 -5.699 -7.557 1.00 1.00 N ATOM 295 CA CYS A 21 58.002 -5.006 -7.591 1.00 1.00 C ATOM 296 C CYS A 21 58.964 -5.777 -8.497 1.00 1.00 C ATOM 297 O CYS A 21 59.117 -6.977 -8.380 1.00 1.00 O ATOM 298 CB CYS A 21 58.580 -4.945 -6.175 1.00 1.00 C ATOM 299 SG CYS A 21 60.324 -4.466 -6.254 1.00 1.00 S ATOM 0 H CYS A 21 56.714 -6.675 -7.262 1.00 1.00 H new ATOM 0 HA CYS A 21 57.870 -3.996 -7.978 1.00 1.00 H new ATOM 0 HB2 CYS A 21 58.022 -4.227 -5.574 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.480 -5.915 -5.688 1.00 1.00 H new ATOM 304 N THR A 22 59.618 -5.092 -9.395 1.00 1.00 N ATOM 305 CA THR A 22 60.581 -5.773 -10.307 1.00 1.00 C ATOM 306 C THR A 22 61.770 -4.835 -10.569 1.00 1.00 C ATOM 307 O THR A 22 61.702 -3.964 -11.413 1.00 1.00 O ATOM 308 CB THR A 22 59.875 -6.103 -11.626 1.00 1.00 C ATOM 309 OG1 THR A 22 60.846 -6.320 -12.639 1.00 1.00 O ATOM 310 CG2 THR A 22 58.967 -4.939 -12.027 1.00 1.00 C ATOM 0 H THR A 22 59.526 -4.086 -9.537 1.00 1.00 H new ATOM 0 HA THR A 22 60.942 -6.696 -9.852 1.00 1.00 H new ATOM 0 HB THR A 22 59.273 -7.003 -11.501 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.396 -6.533 -13.483 1.00 1.00 H new ATOM 0 HG21 THR A 22 58.466 -5.175 -12.966 1.00 1.00 H new ATOM 0 HG22 THR A 22 58.222 -4.774 -11.249 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.566 -4.037 -12.153 1.00 1.00 H new ATOM 318 N PRO A 23 62.849 -5.003 -9.845 1.00 1.00 N ATOM 319 CA PRO A 23 64.068 -4.149 -9.998 1.00 1.00 C ATOM 320 C PRO A 23 64.544 -4.038 -11.453 1.00 1.00 C ATOM 321 O PRO A 23 65.091 -3.031 -11.856 1.00 1.00 O ATOM 322 CB PRO A 23 65.121 -4.856 -9.140 1.00 1.00 C ATOM 323 CG PRO A 23 64.343 -5.624 -8.124 1.00 1.00 C ATOM 324 CD PRO A 23 63.026 -6.021 -8.797 1.00 1.00 C ATOM 0 HA PRO A 23 63.872 -3.121 -9.693 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.742 -5.518 -9.744 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.789 -4.138 -8.665 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.894 -6.506 -7.799 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.159 -5.018 -7.237 1.00 1.00 H new ATOM 0 HD2 PRO A 23 63.078 -7.025 -9.219 1.00 1.00 H new ATOM 0 HD3 PRO A 23 62.197 -6.015 -8.089 1.00 1.00 H new ATOM 332 N ARG A 24 64.345 -5.061 -12.240 1.00 1.00 N ATOM 333 CA ARG A 24 64.791 -5.010 -13.664 1.00 1.00 C ATOM 334 C ARG A 24 66.284 -4.675 -13.726 1.00 1.00 C ATOM 335 O ARG A 24 66.691 -3.560 -13.468 1.00 1.00 O ATOM 336 CB ARG A 24 63.996 -3.935 -14.414 1.00 1.00 C ATOM 337 CG ARG A 24 62.518 -4.329 -14.456 1.00 1.00 C ATOM 338 CD ARG A 24 61.661 -3.076 -14.652 1.00 1.00 C ATOM 339 NE ARG A 24 60.220 -3.441 -14.557 1.00 1.00 N ATOM 340 CZ ARG A 24 59.327 -2.518 -14.325 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.697 -1.275 -14.178 1.00 1.00 N ATOM 342 NH2 ARG A 24 58.065 -2.837 -14.242 1.00 1.00 N ATOM 0 H ARG A 24 63.893 -5.931 -11.959 1.00 1.00 H new ATOM 0 HA ARG A 24 64.618 -5.981 -14.129 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.112 -2.971 -13.920 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.382 -3.823 -15.427 1.00 1.00 H new ATOM 0 HG2 ARG A 24 62.342 -5.034 -15.268 1.00 1.00 H new ATOM 0 HG3 ARG A 24 62.238 -4.833 -13.531 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.909 -2.331 -13.896 1.00 1.00 H new ATOM 0 HD3 ARG A 24 61.870 -2.627 -15.623 1.00 1.00 H new ATOM 0 HE ARG A 24 59.931 -4.412 -14.673 1.00 1.00 H new ATOM 0 HH11 ARG A 24 60.684 -1.025 -14.244 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.999 -0.553 -13.997 1.00 1.00 H new ATOM 0 HH21 ARG A 24 57.776 -3.808 -14.358 1.00 1.00 H new ATOM 0 HH22 ARG A 24 57.367 -2.115 -14.061 1.00 1.00 H new ATOM 356 N LYS A 25 67.104 -5.636 -14.068 1.00 1.00 N ATOM 357 CA LYS A 25 68.575 -5.382 -14.150 1.00 1.00 C ATOM 358 C LYS A 25 69.030 -5.487 -15.608 1.00 1.00 C ATOM 359 O LYS A 25 69.678 -4.603 -16.131 1.00 1.00 O ATOM 360 CB LYS A 25 69.319 -6.419 -13.304 1.00 1.00 C ATOM 361 CG LYS A 25 69.209 -6.045 -11.825 1.00 1.00 C ATOM 362 CD LYS A 25 69.609 -7.244 -10.963 1.00 1.00 C ATOM 363 CE LYS A 25 71.090 -7.558 -11.180 1.00 1.00 C ATOM 364 NZ LYS A 25 71.879 -6.295 -11.124 1.00 1.00 N ATOM 0 H LYS A 25 66.818 -6.588 -14.295 1.00 1.00 H new ATOM 0 HA LYS A 25 68.794 -4.383 -13.774 1.00 1.00 H new ATOM 0 HB2 LYS A 25 68.898 -7.410 -13.472 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.367 -6.463 -13.602 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.854 -5.195 -11.605 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.189 -5.740 -11.591 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.423 -7.027 -9.911 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.001 -8.111 -11.222 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.441 -8.253 -10.417 1.00 1.00 H new ATOM 0 HE3 LYS A 25 71.232 -8.046 -12.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 72.850 -6.505 -10.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.903 -5.858 -12.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.436 -5.639 -10.450 1.00 1.00 H new ATOM 378 N GLY A 26 68.695 -6.561 -16.270 1.00 1.00 N ATOM 379 CA GLY A 26 69.108 -6.720 -17.695 1.00 1.00 C ATOM 380 C GLY A 26 70.593 -6.377 -17.845 1.00 1.00 C ATOM 381 O GLY A 26 71.298 -6.193 -16.872 1.00 1.00 O ATOM 0 H GLY A 26 68.153 -7.335 -15.886 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.926 -7.743 -18.024 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.509 -6.069 -18.332 1.00 1.00 H new ATOM 385 N PRO A 27 71.062 -6.297 -19.063 1.00 1.00 N ATOM 386 CA PRO A 27 72.489 -5.974 -19.363 1.00 1.00 C ATOM 387 C PRO A 27 72.956 -4.692 -18.657 1.00 1.00 C ATOM 388 O PRO A 27 72.153 -3.873 -18.256 1.00 1.00 O ATOM 389 CB PRO A 27 72.511 -5.788 -20.886 1.00 1.00 C ATOM 390 CG PRO A 27 71.334 -6.552 -21.395 1.00 1.00 C ATOM 391 CD PRO A 27 70.278 -6.510 -20.290 1.00 1.00 C ATOM 0 HA PRO A 27 73.163 -6.756 -19.012 1.00 1.00 H new ATOM 0 HB2 PRO A 27 72.441 -4.734 -21.154 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.440 -6.165 -21.315 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.951 -6.108 -22.314 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.610 -7.580 -21.628 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.562 -5.705 -20.452 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.709 -7.439 -20.245 1.00 1.00 H new ATOM 399 N PRO A 28 74.246 -4.520 -18.509 1.00 1.00 N ATOM 400 CA PRO A 28 74.825 -3.319 -17.845 1.00 1.00 C ATOM 401 C PRO A 28 74.129 -2.022 -18.270 1.00 1.00 C ATOM 402 O PRO A 28 73.903 -1.783 -19.440 1.00 1.00 O ATOM 403 CB PRO A 28 76.282 -3.322 -18.311 1.00 1.00 C ATOM 404 CG PRO A 28 76.605 -4.757 -18.570 1.00 1.00 C ATOM 405 CD PRO A 28 75.294 -5.450 -18.960 1.00 1.00 C ATOM 0 HA PRO A 28 74.710 -3.359 -16.762 1.00 1.00 H new ATOM 0 HB2 PRO A 28 76.409 -2.721 -19.211 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.940 -2.901 -17.551 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.341 -4.848 -19.368 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.037 -5.221 -17.683 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.239 -5.621 -20.035 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.198 -6.422 -18.477 1.00 1.00 H new ATOM 413 N LYS A 29 73.795 -1.183 -17.327 1.00 1.00 N ATOM 414 CA LYS A 29 73.119 0.104 -17.664 1.00 1.00 C ATOM 415 C LYS A 29 74.078 1.264 -17.386 1.00 1.00 C ATOM 416 O LYS A 29 75.194 1.287 -17.865 1.00 1.00 O ATOM 417 CB LYS A 29 71.865 0.259 -16.798 1.00 1.00 C ATOM 418 CG LYS A 29 70.934 -0.935 -17.019 1.00 1.00 C ATOM 419 CD LYS A 29 70.463 -1.472 -15.666 1.00 1.00 C ATOM 420 CE LYS A 29 71.577 -2.306 -15.031 1.00 1.00 C ATOM 421 NZ LYS A 29 71.514 -2.172 -13.548 1.00 1.00 N ATOM 0 H LYS A 29 73.962 -1.334 -16.332 1.00 1.00 H new ATOM 0 HA LYS A 29 72.837 0.108 -18.717 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.144 0.325 -15.746 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.350 1.186 -17.050 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.077 -0.635 -17.621 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.454 -1.718 -17.572 1.00 1.00 H new ATOM 0 HD2 LYS A 29 70.194 -0.645 -15.009 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.568 -2.080 -15.796 1.00 1.00 H new ATOM 0 HE2 LYS A 29 71.471 -3.352 -15.317 1.00 1.00 H new ATOM 0 HE3 LYS A 29 72.549 -1.973 -15.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.271 -2.739 -13.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.635 -1.173 -13.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.591 -2.510 -13.208 1.00 1.00 H new ATOM 435 N CYS A 30 73.654 2.225 -16.612 1.00 1.00 N ATOM 436 CA CYS A 30 74.543 3.380 -16.301 1.00 1.00 C ATOM 437 C CYS A 30 75.432 3.031 -15.105 1.00 1.00 C ATOM 438 O CYS A 30 76.057 3.888 -14.513 1.00 1.00 O ATOM 439 CB CYS A 30 73.689 4.602 -15.958 1.00 1.00 C ATOM 440 SG CYS A 30 72.742 4.272 -14.451 1.00 1.00 S ATOM 0 H CYS A 30 72.730 2.260 -16.181 1.00 1.00 H new ATOM 0 HA CYS A 30 75.167 3.602 -17.167 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.325 5.476 -15.817 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.013 4.830 -16.782 1.00 1.00 H new ATOM 445 N LYS A 31 75.491 1.778 -14.742 1.00 1.00 N ATOM 446 CA LYS A 31 76.333 1.373 -13.583 1.00 1.00 C ATOM 447 C LYS A 31 77.763 1.113 -14.067 1.00 1.00 C ATOM 448 O LYS A 31 78.715 1.242 -13.323 1.00 1.00 O ATOM 449 CB LYS A 31 75.720 0.110 -12.951 1.00 1.00 C ATOM 450 CG LYS A 31 76.813 -0.717 -12.271 1.00 1.00 C ATOM 451 CD LYS A 31 77.347 -1.763 -13.252 1.00 1.00 C ATOM 452 CE LYS A 31 78.715 -2.257 -12.777 1.00 1.00 C ATOM 453 NZ LYS A 31 79.081 -3.495 -13.520 1.00 1.00 N ATOM 0 H LYS A 31 74.991 1.017 -15.200 1.00 1.00 H new ATOM 0 HA LYS A 31 76.366 2.162 -12.832 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.959 0.390 -12.223 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.225 -0.486 -13.717 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.623 -0.067 -11.940 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.414 -1.207 -11.383 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.651 -2.599 -13.323 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.430 -1.332 -14.250 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.468 -1.486 -12.940 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.690 -2.457 -11.706 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.942 -3.906 -13.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.303 -4.182 -13.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.254 -3.262 -14.519 1.00 1.00 H new ATOM 467 N GLN A 32 77.918 0.756 -15.311 1.00 1.00 N ATOM 468 CA GLN A 32 79.285 0.490 -15.857 1.00 1.00 C ATOM 469 C GLN A 32 79.649 1.571 -16.877 1.00 1.00 C ATOM 470 O GLN A 32 79.910 1.284 -18.029 1.00 1.00 O ATOM 471 CB GLN A 32 79.305 -0.880 -16.545 1.00 1.00 C ATOM 472 CG GLN A 32 80.748 -1.263 -16.879 1.00 1.00 C ATOM 473 CD GLN A 32 80.826 -2.765 -17.162 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.186 -3.258 -18.069 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.588 -3.518 -16.416 1.00 1.00 N ATOM 0 H GLN A 32 77.156 0.636 -15.978 1.00 1.00 H new ATOM 0 HA GLN A 32 80.007 0.500 -15.040 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.859 -1.632 -15.894 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.706 -0.851 -17.455 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.093 -0.700 -17.747 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.405 -1.004 -16.049 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.125 -3.104 -15.654 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.646 -4.521 -16.595 1.00 1.00 H new ATOM 484 N ARG A 33 79.673 2.811 -16.469 1.00 1.00 N ATOM 485 CA ARG A 33 80.025 3.895 -17.425 1.00 1.00 C ATOM 486 C ARG A 33 80.226 5.210 -16.666 1.00 1.00 C ATOM 487 O ARG A 33 80.889 6.111 -17.140 1.00 1.00 O ATOM 488 CB ARG A 33 78.894 4.055 -18.447 1.00 1.00 C ATOM 489 CG ARG A 33 79.285 5.110 -19.484 1.00 1.00 C ATOM 490 CD ARG A 33 80.557 4.666 -20.209 1.00 1.00 C ATOM 491 NE ARG A 33 80.607 3.178 -20.259 1.00 1.00 N ATOM 492 CZ ARG A 33 79.937 2.533 -21.174 1.00 1.00 C ATOM 493 NH1 ARG A 33 79.222 3.191 -22.045 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.981 1.229 -21.218 1.00 1.00 N ATOM 0 H ARG A 33 79.465 3.118 -15.519 1.00 1.00 H new ATOM 0 HA ARG A 33 80.950 3.638 -17.942 1.00 1.00 H new ATOM 0 HB2 ARG A 33 78.697 3.102 -18.939 1.00 1.00 H new ATOM 0 HB3 ARG A 33 77.974 4.350 -17.943 1.00 1.00 H new ATOM 0 HG2 ARG A 33 78.475 5.249 -20.200 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.448 6.071 -18.997 1.00 1.00 H new ATOM 0 HD2 ARG A 33 80.574 5.075 -21.219 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.436 5.053 -19.693 1.00 1.00 H new ATOM 0 HE ARG A 33 81.165 2.663 -19.578 1.00 1.00 H new ATOM 0 HH11 ARG A 33 79.187 4.210 -22.011 1.00 1.00 H new ATOM 0 HH12 ARG A 33 78.698 2.687 -22.760 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.539 0.714 -20.537 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.457 0.725 -21.933 1.00 1.00 H new ATOM 508 N GLN A 34 79.660 5.329 -15.492 1.00 1.00 N ATOM 509 CA GLN A 34 79.819 6.590 -14.703 1.00 1.00 C ATOM 510 C GLN A 34 80.593 6.302 -13.414 1.00 1.00 C ATOM 511 O GLN A 34 80.300 6.850 -12.370 1.00 1.00 O ATOM 512 CB GLN A 34 78.437 7.152 -14.353 1.00 1.00 C ATOM 513 CG GLN A 34 77.659 6.129 -13.523 1.00 1.00 C ATOM 514 CD GLN A 34 77.660 6.556 -12.054 1.00 1.00 C ATOM 515 OE1 GLN A 34 77.221 7.640 -11.723 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.140 5.744 -11.152 1.00 1.00 N ATOM 0 H GLN A 34 79.094 4.608 -15.045 1.00 1.00 H new ATOM 0 HA GLN A 34 80.370 7.318 -15.298 1.00 1.00 H new ATOM 0 HB2 GLN A 34 78.543 8.082 -13.795 1.00 1.00 H new ATOM 0 HB3 GLN A 34 77.888 7.388 -15.265 1.00 1.00 H new ATOM 0 HG2 GLN A 34 76.635 6.051 -13.889 1.00 1.00 H new ATOM 0 HG3 GLN A 34 78.111 5.142 -13.626 1.00 1.00 H new ATOM 0 HE21 GLN A 34 78.509 4.834 -11.429 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.147 6.019 -10.170 1.00 1.00 H new ATOM 525 N THR A 35 81.583 5.452 -13.478 1.00 1.00 N ATOM 526 CA THR A 35 82.381 5.136 -12.256 1.00 1.00 C ATOM 527 C THR A 35 83.852 4.965 -12.639 1.00 1.00 C ATOM 528 O THR A 35 84.294 3.884 -12.974 1.00 1.00 O ATOM 529 CB THR A 35 81.866 3.841 -11.623 1.00 1.00 C ATOM 530 OG1 THR A 35 80.458 3.925 -11.456 1.00 1.00 O ATOM 531 CG2 THR A 35 82.532 3.636 -10.262 1.00 1.00 C ATOM 0 H THR A 35 81.874 4.962 -14.324 1.00 1.00 H new ATOM 0 HA THR A 35 82.282 5.952 -11.540 1.00 1.00 H new ATOM 0 HB THR A 35 82.106 2.999 -12.272 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.126 3.096 -11.052 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.164 2.714 -9.812 1.00 1.00 H new ATOM 0 HG22 THR A 35 83.612 3.571 -10.392 1.00 1.00 H new ATOM 0 HG23 THR A 35 82.295 4.477 -9.610 1.00 1.00 H new ATOM 539 N ARG A 36 84.613 6.026 -12.591 1.00 1.00 N ATOM 540 CA ARG A 36 86.059 5.937 -12.951 1.00 1.00 C ATOM 541 C ARG A 36 86.903 6.003 -11.677 1.00 1.00 C ATOM 542 O ARG A 36 88.010 6.503 -11.681 1.00 1.00 O ATOM 543 CB ARG A 36 86.427 7.111 -13.863 1.00 1.00 C ATOM 544 CG ARG A 36 85.632 7.020 -15.167 1.00 1.00 C ATOM 545 CD ARG A 36 86.543 6.512 -16.286 1.00 1.00 C ATOM 546 NE ARG A 36 87.214 5.255 -15.848 1.00 1.00 N ATOM 547 CZ ARG A 36 88.302 4.853 -16.447 1.00 1.00 C ATOM 548 NH1 ARG A 36 88.802 5.552 -17.429 1.00 1.00 N ATOM 549 NH2 ARG A 36 88.889 3.753 -16.064 1.00 1.00 N ATOM 0 H ARG A 36 84.294 6.955 -12.317 1.00 1.00 H new ATOM 0 HA ARG A 36 86.250 4.997 -13.468 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.214 8.055 -13.361 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.496 7.098 -14.076 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.783 6.348 -15.042 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.228 7.998 -15.428 1.00 1.00 H new ATOM 0 HD2 ARG A 36 85.961 6.330 -17.189 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.289 7.268 -16.534 1.00 1.00 H new ATOM 0 HE ARG A 36 86.823 4.709 -15.080 1.00 1.00 H new ATOM 0 HH11 ARG A 36 88.343 6.412 -17.728 1.00 1.00 H new ATOM 0 HH12 ARG A 36 89.652 5.238 -17.897 1.00 1.00 H new ATOM 0 HH21 ARG A 36 88.498 3.207 -15.296 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.739 3.439 -16.532 1.00 1.00 H new ATOM 563 N GLN A 37 86.389 5.506 -10.585 1.00 1.00 N ATOM 564 CA GLN A 37 87.166 5.548 -9.315 1.00 1.00 C ATOM 565 C GLN A 37 86.531 4.605 -8.291 1.00 1.00 C ATOM 566 O GLN A 37 85.531 4.920 -7.677 1.00 1.00 O ATOM 567 CB GLN A 37 87.162 6.976 -8.766 1.00 1.00 C ATOM 568 CG GLN A 37 88.209 7.101 -7.657 1.00 1.00 C ATOM 569 CD GLN A 37 87.965 8.388 -6.867 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.123 9.186 -7.228 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.672 8.626 -5.797 1.00 1.00 N ATOM 0 H GLN A 37 85.467 5.074 -10.518 1.00 1.00 H new ATOM 0 HA GLN A 37 88.192 5.233 -9.507 1.00 1.00 H new ATOM 0 HB2 GLN A 37 87.378 7.685 -9.566 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.174 7.225 -8.378 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.155 6.238 -6.993 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.210 7.110 -8.087 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.379 7.956 -5.493 1.00 1.00 H new ATOM 0 HE22 GLN A 37 88.518 9.482 -5.264 1.00 1.00 H new ATOM 580 N CYS A 38 87.110 3.452 -8.099 1.00 1.00 N ATOM 581 CA CYS A 38 86.550 2.486 -7.113 1.00 1.00 C ATOM 582 C CYS A 38 87.406 1.218 -7.112 1.00 1.00 C ATOM 583 O CYS A 38 87.205 0.321 -7.906 1.00 1.00 O ATOM 584 CB CYS A 38 85.107 2.141 -7.499 1.00 1.00 C ATOM 585 SG CYS A 38 84.694 0.486 -6.893 1.00 1.00 S ATOM 0 H CYS A 38 87.950 3.136 -8.584 1.00 1.00 H new ATOM 0 HA CYS A 38 86.556 2.928 -6.117 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.421 2.875 -7.076 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.990 2.182 -8.582 1.00 1.00 H new ATOM 590 N LYS A 39 88.368 1.145 -6.231 1.00 1.00 N ATOM 591 CA LYS A 39 89.253 -0.055 -6.178 1.00 1.00 C ATOM 592 C LYS A 39 88.835 -0.960 -5.017 1.00 1.00 C ATOM 593 O LYS A 39 87.859 -1.679 -5.096 1.00 1.00 O ATOM 594 CB LYS A 39 90.699 0.400 -5.973 1.00 1.00 C ATOM 595 CG LYS A 39 91.142 1.250 -7.166 1.00 1.00 C ATOM 596 CD LYS A 39 92.294 2.163 -6.743 1.00 1.00 C ATOM 597 CE LYS A 39 92.720 3.031 -7.928 1.00 1.00 C ATOM 598 NZ LYS A 39 93.402 4.257 -7.426 1.00 1.00 N ATOM 0 H LYS A 39 88.580 1.868 -5.543 1.00 1.00 H new ATOM 0 HA LYS A 39 89.167 -0.611 -7.112 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.783 0.976 -5.052 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.352 -0.466 -5.868 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.457 0.606 -7.987 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.306 1.847 -7.531 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.985 2.794 -5.909 1.00 1.00 H new ATOM 0 HD3 LYS A 39 93.137 1.565 -6.395 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.390 2.471 -8.581 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.849 3.304 -8.524 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.692 4.848 -8.232 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.749 4.794 -6.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 94.242 3.986 -6.875 1.00 1.00 H new ATOM 612 N SER A 40 89.572 -0.932 -3.940 1.00 1.00 N ATOM 613 CA SER A 40 89.226 -1.793 -2.775 1.00 1.00 C ATOM 614 C SER A 40 89.873 -1.221 -1.511 1.00 1.00 C ATOM 615 O SER A 40 89.960 -1.880 -0.494 1.00 1.00 O ATOM 616 CB SER A 40 89.748 -3.210 -3.020 1.00 1.00 C ATOM 617 OG SER A 40 89.932 -3.866 -1.773 1.00 1.00 O ATOM 0 H SER A 40 90.400 -0.349 -3.817 1.00 1.00 H new ATOM 0 HA SER A 40 88.144 -1.821 -2.648 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.043 -3.768 -3.637 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.690 -3.173 -3.567 1.00 1.00 H new ATOM 0 HG SER A 40 89.424 -3.397 -1.078 1.00 1.00 H new ATOM 623 N LYS A 41 90.324 0.005 -1.570 1.00 1.00 N ATOM 624 CA LYS A 41 90.965 0.636 -0.379 1.00 1.00 C ATOM 625 C LYS A 41 90.226 1.935 -0.040 1.00 1.00 C ATOM 626 O LYS A 41 90.643 3.011 -0.419 1.00 1.00 O ATOM 627 CB LYS A 41 92.431 0.951 -0.707 1.00 1.00 C ATOM 628 CG LYS A 41 93.230 1.085 0.591 1.00 1.00 C ATOM 629 CD LYS A 41 93.713 -0.296 1.039 1.00 1.00 C ATOM 630 CE LYS A 41 94.056 -0.258 2.529 1.00 1.00 C ATOM 631 NZ LYS A 41 92.799 -0.214 3.328 1.00 1.00 N ATOM 0 H LYS A 41 90.275 0.599 -2.397 1.00 1.00 H new ATOM 0 HA LYS A 41 90.918 -0.043 0.473 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.854 0.160 -1.326 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.495 1.875 -1.282 1.00 1.00 H new ATOM 0 HG2 LYS A 41 94.082 1.748 0.439 1.00 1.00 H new ATOM 0 HG3 LYS A 41 92.610 1.534 1.367 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.940 -1.042 0.852 1.00 1.00 H new ATOM 0 HD3 LYS A 41 94.588 -0.592 0.461 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.641 -1.136 2.801 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.670 0.615 2.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.984 -0.572 4.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.458 0.767 3.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.076 -0.806 2.871 1.00 1.00 H new ATOM 645 N PRO A 42 89.133 1.832 0.668 1.00 1.00 N ATOM 646 CA PRO A 42 88.317 3.008 1.064 1.00 1.00 C ATOM 647 C PRO A 42 88.820 3.653 2.361 1.00 1.00 C ATOM 648 O PRO A 42 89.517 3.033 3.139 1.00 1.00 O ATOM 649 CB PRO A 42 86.928 2.404 1.264 1.00 1.00 C ATOM 650 CG PRO A 42 87.174 0.999 1.712 1.00 1.00 C ATOM 651 CD PRO A 42 88.545 0.579 1.168 1.00 1.00 C ATOM 0 HA PRO A 42 88.350 3.807 0.324 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.360 2.961 2.009 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.351 2.428 0.339 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.156 0.934 2.800 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.393 0.335 1.340 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.163 0.132 1.947 1.00 1.00 H new ATOM 0 HD3 PRO A 42 88.449 -0.161 0.373 1.00 1.00 H new ATOM 659 N PRO A 43 88.463 4.890 2.592 1.00 1.00 N ATOM 660 CA PRO A 43 88.880 5.629 3.819 1.00 1.00 C ATOM 661 C PRO A 43 88.178 5.091 5.068 1.00 1.00 C ATOM 662 O PRO A 43 86.966 5.054 5.142 1.00 1.00 O ATOM 663 CB PRO A 43 88.455 7.075 3.536 1.00 1.00 C ATOM 664 CG PRO A 43 87.342 6.969 2.547 1.00 1.00 C ATOM 665 CD PRO A 43 87.621 5.717 1.713 1.00 1.00 C ATOM 0 HA PRO A 43 89.947 5.528 4.020 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.126 7.574 4.447 1.00 1.00 H new ATOM 0 HB3 PRO A 43 89.284 7.658 3.135 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.379 6.892 3.053 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.299 7.855 1.914 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.699 5.203 1.443 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.134 5.962 0.783 1.00 1.00 H new ATOM 673 N LYS A 44 88.928 4.668 6.049 1.00 1.00 N ATOM 674 CA LYS A 44 88.300 4.126 7.289 1.00 1.00 C ATOM 675 C LYS A 44 88.199 5.236 8.336 1.00 1.00 C ATOM 676 O LYS A 44 87.406 5.166 9.254 1.00 1.00 O ATOM 677 CB LYS A 44 89.159 2.979 7.832 1.00 1.00 C ATOM 678 CG LYS A 44 88.462 2.335 9.032 1.00 1.00 C ATOM 679 CD LYS A 44 89.108 2.833 10.326 1.00 1.00 C ATOM 680 CE LYS A 44 90.359 2.005 10.624 1.00 1.00 C ATOM 681 NZ LYS A 44 89.958 0.624 11.016 1.00 1.00 N ATOM 0 H LYS A 44 89.948 4.674 6.046 1.00 1.00 H new ATOM 0 HA LYS A 44 87.301 3.754 7.062 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.324 2.235 7.053 1.00 1.00 H new ATOM 0 HB3 LYS A 44 90.139 3.354 8.127 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.400 2.582 9.025 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.537 1.249 8.970 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.370 3.887 10.232 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.401 2.753 11.152 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.004 1.973 9.746 1.00 1.00 H new ATOM 0 HE3 LYS A 44 90.934 2.470 11.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 90.710 0.194 11.591 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.078 0.662 11.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.806 0.051 10.162 1.00 1.00 H new ATOM 695 N LYS A 45 88.993 6.262 8.205 1.00 1.00 N ATOM 696 CA LYS A 45 88.939 7.378 9.192 1.00 1.00 C ATOM 697 C LYS A 45 87.843 8.364 8.779 1.00 1.00 C ATOM 698 O LYS A 45 88.097 9.530 8.549 1.00 1.00 O ATOM 699 CB LYS A 45 90.293 8.097 9.223 1.00 1.00 C ATOM 700 CG LYS A 45 90.422 8.901 10.518 1.00 1.00 C ATOM 701 CD LYS A 45 91.353 8.165 11.485 1.00 1.00 C ATOM 702 CE LYS A 45 90.688 6.867 11.946 1.00 1.00 C ATOM 703 NZ LYS A 45 91.464 6.285 13.078 1.00 1.00 N ATOM 0 H LYS A 45 89.677 6.377 7.457 1.00 1.00 H new ATOM 0 HA LYS A 45 88.718 6.982 10.183 1.00 1.00 H new ATOM 0 HB2 LYS A 45 91.103 7.371 9.153 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.383 8.759 8.362 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.815 9.895 10.304 1.00 1.00 H new ATOM 0 HG3 LYS A 45 89.441 9.037 10.973 1.00 1.00 H new ATOM 0 HD2 LYS A 45 92.302 7.946 10.996 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.575 8.797 12.345 1.00 1.00 H new ATOM 0 HE2 LYS A 45 89.662 7.062 12.257 1.00 1.00 H new ATOM 0 HE3 LYS A 45 90.641 6.157 11.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.012 5.402 13.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 92.436 6.084 12.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 91.487 6.962 13.867 1.00 1.00 H new ATOM 717 N GLY A 46 86.626 7.904 8.682 1.00 1.00 N ATOM 718 CA GLY A 46 85.513 8.812 8.282 1.00 1.00 C ATOM 719 C GLY A 46 85.567 10.090 9.119 1.00 1.00 C ATOM 720 O GLY A 46 85.379 10.066 10.320 1.00 1.00 O ATOM 0 H GLY A 46 86.354 6.938 8.863 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.592 9.056 7.223 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.554 8.313 8.424 1.00 1.00 H new ATOM 724 N VAL A 47 85.822 11.209 8.496 1.00 1.00 N ATOM 725 CA VAL A 47 85.886 12.488 9.258 1.00 1.00 C ATOM 726 C VAL A 47 84.466 13.013 9.492 1.00 1.00 C ATOM 727 O VAL A 47 84.074 13.286 10.609 1.00 1.00 O ATOM 728 CB VAL A 47 86.699 13.520 8.462 1.00 1.00 C ATOM 729 CG1 VAL A 47 88.175 13.420 8.853 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.549 13.240 6.965 1.00 1.00 C ATOM 0 H VAL A 47 85.989 11.292 7.493 1.00 1.00 H new ATOM 0 HA VAL A 47 86.369 12.317 10.220 1.00 1.00 H new ATOM 0 HB VAL A 47 86.332 14.522 8.685 1.00 1.00 H new ATOM 0 HG11 VAL A 47 88.752 14.152 8.288 1.00 1.00 H new ATOM 0 HG12 VAL A 47 88.283 13.618 9.919 1.00 1.00 H new ATOM 0 HG13 VAL A 47 88.543 12.419 8.630 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.125 13.971 6.398 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.917 12.238 6.744 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.498 13.311 6.685 1.00 1.00 H new ATOM 740 N GLN A 48 83.691 13.155 8.450 1.00 1.00 N ATOM 741 CA GLN A 48 82.299 13.660 8.622 1.00 1.00 C ATOM 742 C GLN A 48 81.568 13.622 7.277 1.00 1.00 C ATOM 743 O GLN A 48 81.600 14.564 6.512 1.00 1.00 O ATOM 744 CB GLN A 48 82.328 15.099 9.152 1.00 1.00 C ATOM 745 CG GLN A 48 83.284 15.941 8.305 1.00 1.00 C ATOM 746 CD GLN A 48 83.719 17.174 9.099 1.00 1.00 C ATOM 747 OE1 GLN A 48 83.235 18.264 8.864 1.00 1.00 O ATOM 748 NE2 GLN A 48 84.619 17.048 10.036 1.00 1.00 N ATOM 0 H GLN A 48 83.961 12.944 7.489 1.00 1.00 H new ATOM 0 HA GLN A 48 81.775 13.026 9.337 1.00 1.00 H new ATOM 0 HB2 GLN A 48 81.326 15.528 9.122 1.00 1.00 H new ATOM 0 HB3 GLN A 48 82.647 15.107 10.194 1.00 1.00 H new ATOM 0 HG2 GLN A 48 84.156 15.349 8.025 1.00 1.00 H new ATOM 0 HG3 GLN A 48 82.795 16.245 7.380 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.025 16.133 10.233 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.916 17.864 10.571 1.00 1.00 H new ATOM 757 N GLY A 49 80.902 12.537 6.984 1.00 1.00 N ATOM 758 CA GLY A 49 80.164 12.439 5.692 1.00 1.00 C ATOM 759 C GLY A 49 81.092 11.887 4.607 1.00 1.00 C ATOM 760 O GLY A 49 80.941 10.767 4.160 1.00 1.00 O ATOM 0 H GLY A 49 80.837 11.715 7.584 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.296 11.790 5.806 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.791 13.421 5.400 1.00 1.00 H new ATOM 764 N CYS A 50 82.048 12.665 4.175 1.00 1.00 N ATOM 765 CA CYS A 50 82.982 12.186 3.116 1.00 1.00 C ATOM 766 C CYS A 50 84.343 12.865 3.292 1.00 1.00 C ATOM 767 O CYS A 50 84.429 14.061 3.485 1.00 1.00 O ATOM 768 CB CYS A 50 82.409 12.533 1.738 1.00 1.00 C ATOM 769 SG CYS A 50 80.617 12.279 1.748 1.00 1.00 S ATOM 0 H CYS A 50 82.222 13.612 4.510 1.00 1.00 H new ATOM 0 HA CYS A 50 83.103 11.106 3.197 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.639 13.569 1.487 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.871 11.909 0.973 1.00 1.00 H new ATOM 774 N GLY A 51 85.408 12.107 3.229 1.00 1.00 N ATOM 775 CA GLY A 51 86.770 12.701 3.397 1.00 1.00 C ATOM 776 C GLY A 51 87.586 12.492 2.119 1.00 1.00 C ATOM 777 O GLY A 51 88.569 13.165 1.883 1.00 1.00 O ATOM 0 H GLY A 51 85.394 11.100 3.068 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.688 13.765 3.618 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.277 12.238 4.243 1.00 1.00 H new ATOM 781 N ASP A 52 87.189 11.562 1.293 1.00 1.00 N ATOM 782 CA ASP A 52 87.947 11.314 0.034 1.00 1.00 C ATOM 783 C ASP A 52 87.045 10.588 -0.968 1.00 1.00 C ATOM 784 O ASP A 52 85.992 10.089 -0.623 1.00 1.00 O ATOM 785 CB ASP A 52 89.181 10.451 0.343 1.00 1.00 C ATOM 786 CG ASP A 52 90.448 11.293 0.180 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.418 12.452 0.560 1.00 1.00 O ATOM 788 OD2 ASP A 52 91.426 10.765 -0.323 1.00 1.00 O ATOM 0 H ASP A 52 86.374 10.965 1.435 1.00 1.00 H new ATOM 0 HA ASP A 52 88.269 12.263 -0.394 1.00 1.00 H new ATOM 0 HB2 ASP A 52 89.120 10.061 1.359 1.00 1.00 H new ATOM 0 HB3 ASP A 52 89.214 9.592 -0.327 1.00 1.00 H new ATOM 793 N ASP A 53 87.452 10.525 -2.207 1.00 1.00 N ATOM 794 CA ASP A 53 86.621 9.831 -3.231 1.00 1.00 C ATOM 795 C ASP A 53 85.174 10.316 -3.127 1.00 1.00 C ATOM 796 O ASP A 53 84.245 9.533 -3.141 1.00 1.00 O ATOM 797 CB ASP A 53 86.672 8.321 -2.990 1.00 1.00 C ATOM 798 CG ASP A 53 86.109 7.590 -4.210 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.421 8.226 -4.992 1.00 1.00 O ATOM 800 OD2 ASP A 53 86.374 6.406 -4.342 1.00 1.00 O ATOM 0 H ASP A 53 88.324 10.924 -2.554 1.00 1.00 H new ATOM 0 HA ASP A 53 87.008 10.053 -4.225 1.00 1.00 H new ATOM 0 HB2 ASP A 53 87.699 8.006 -2.806 1.00 1.00 H new ATOM 0 HB3 ASP A 53 86.096 8.064 -2.101 1.00 1.00 H new ATOM 805 N ILE A 54 84.974 11.602 -3.023 1.00 1.00 N ATOM 806 CA ILE A 54 83.586 12.130 -2.918 1.00 1.00 C ATOM 807 C ILE A 54 82.753 11.597 -4.090 1.00 1.00 C ATOM 808 O ILE A 54 83.270 11.359 -5.163 1.00 1.00 O ATOM 809 CB ILE A 54 83.618 13.660 -2.969 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.555 14.112 -4.092 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.125 14.206 -1.633 1.00 1.00 C ATOM 812 CD1 ILE A 54 84.390 15.616 -4.320 1.00 1.00 C ATOM 0 H ILE A 54 85.711 12.307 -3.006 1.00 1.00 H new ATOM 0 HA ILE A 54 83.141 11.808 -1.976 1.00 1.00 H new ATOM 0 HB ILE A 54 82.613 14.038 -3.157 1.00 1.00 H new ATOM 0 HG12 ILE A 54 85.589 13.884 -3.831 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.330 13.568 -5.009 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.148 15.295 -1.670 1.00 1.00 H new ATOM 0 HG22 ILE A 54 83.459 13.884 -0.832 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.130 13.829 -1.443 1.00 1.00 H new ATOM 0 HD11 ILE A 54 85.057 15.938 -5.120 1.00 1.00 H new ATOM 0 HD12 ILE A 54 83.359 15.831 -4.599 1.00 1.00 H new ATOM 0 HD13 ILE A 54 84.637 16.152 -3.404 1.00 1.00 H new ATOM 824 N PRO A 55 81.473 11.411 -3.889 1.00 1.00 N ATOM 825 CA PRO A 55 80.561 10.897 -4.952 1.00 1.00 C ATOM 826 C PRO A 55 80.319 11.934 -6.054 1.00 1.00 C ATOM 827 O PRO A 55 80.241 11.606 -7.222 1.00 1.00 O ATOM 828 CB PRO A 55 79.261 10.593 -4.202 1.00 1.00 C ATOM 829 CG PRO A 55 79.283 11.487 -3.007 1.00 1.00 C ATOM 830 CD PRO A 55 80.755 11.673 -2.631 1.00 1.00 C ATOM 0 HA PRO A 55 80.978 10.029 -5.462 1.00 1.00 H new ATOM 0 HB2 PRO A 55 78.390 10.791 -4.827 1.00 1.00 H new ATOM 0 HB3 PRO A 55 79.211 9.544 -3.909 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.816 12.446 -3.231 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.725 11.045 -2.182 1.00 1.00 H new ATOM 0 HD2 PRO A 55 80.950 12.680 -2.261 1.00 1.00 H new ATOM 0 HD3 PRO A 55 81.058 10.981 -1.845 1.00 1.00 H new ATOM 838 N GLY A 56 80.200 13.182 -5.693 1.00 1.00 N ATOM 839 CA GLY A 56 79.963 14.235 -6.720 1.00 1.00 C ATOM 840 C GLY A 56 80.059 15.618 -6.073 1.00 1.00 C ATOM 841 O GLY A 56 80.462 16.578 -6.698 1.00 1.00 O ATOM 0 H GLY A 56 80.257 13.518 -4.732 1.00 1.00 H new ATOM 0 HA2 GLY A 56 80.696 14.146 -7.522 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.980 14.102 -7.171 1.00 1.00 H new ATOM 845 N MET A 57 79.690 15.729 -4.826 1.00 1.00 N ATOM 846 CA MET A 57 79.761 17.053 -4.145 1.00 1.00 C ATOM 847 C MET A 57 79.391 16.893 -2.669 1.00 1.00 C ATOM 848 O MET A 57 79.065 17.851 -2.000 1.00 1.00 O ATOM 849 CB MET A 57 78.779 18.021 -4.809 1.00 1.00 C ATOM 850 CG MET A 57 77.417 17.341 -4.965 1.00 1.00 C ATOM 851 SD MET A 57 76.113 18.596 -4.970 1.00 1.00 S ATOM 852 CE MET A 57 74.919 17.687 -3.959 1.00 1.00 C ATOM 0 H MET A 57 79.343 14.962 -4.250 1.00 1.00 H new ATOM 0 HA MET A 57 80.775 17.445 -4.225 1.00 1.00 H new ATOM 0 HB2 MET A 57 78.679 18.924 -4.207 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.158 18.328 -5.784 1.00 1.00 H new ATOM 0 HG2 MET A 57 77.389 16.768 -5.892 1.00 1.00 H new ATOM 0 HG3 MET A 57 77.255 16.636 -4.150 1.00 1.00 H new ATOM 0 HE1 MET A 57 74.018 18.288 -3.831 1.00 1.00 H new ATOM 0 HE2 MET A 57 74.663 16.750 -4.453 1.00 1.00 H new ATOM 0 HE3 MET A 57 75.355 17.475 -2.983 1.00 1.00 H new ATOM 862 N GLU A 58 79.438 15.687 -2.164 1.00 1.00 N ATOM 863 CA GLU A 58 79.089 15.439 -0.737 1.00 1.00 C ATOM 864 C GLU A 58 77.848 16.243 -0.351 1.00 1.00 C ATOM 865 O GLU A 58 77.249 16.922 -1.161 1.00 1.00 O ATOM 866 CB GLU A 58 80.271 15.812 0.173 1.00 1.00 C ATOM 867 CG GLU A 58 80.570 17.307 0.048 1.00 1.00 C ATOM 868 CD GLU A 58 81.540 17.729 1.153 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.081 16.851 1.806 1.00 1.00 O ATOM 870 OE2 GLU A 58 81.726 18.922 1.328 1.00 1.00 O ATOM 0 H GLU A 58 79.707 14.854 -2.688 1.00 1.00 H new ATOM 0 HA GLU A 58 78.872 14.378 -0.608 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.037 15.564 1.208 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.151 15.231 -0.103 1.00 1.00 H new ATOM 0 HG2 GLU A 58 81.001 17.522 -0.930 1.00 1.00 H new ATOM 0 HG3 GLU A 58 79.646 17.881 0.122 1.00 1.00 H new ATOM 877 N GLY A 59 77.453 16.157 0.883 1.00 1.00 N ATOM 878 CA GLY A 59 76.244 16.904 1.340 1.00 1.00 C ATOM 879 C GLY A 59 75.112 16.710 0.330 1.00 1.00 C ATOM 880 O GLY A 59 74.718 17.630 -0.359 1.00 1.00 O ATOM 0 H GLY A 59 77.914 15.600 1.602 1.00 1.00 H new ATOM 0 HA2 GLY A 59 75.934 16.549 2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.476 17.964 1.443 1.00 1.00 H new ATOM 884 N CYS A 60 74.590 15.516 0.233 1.00 1.00 N ATOM 885 CA CYS A 60 73.487 15.252 -0.735 1.00 1.00 C ATOM 886 C CYS A 60 72.150 15.218 0.009 1.00 1.00 C ATOM 887 O CYS A 60 71.673 16.224 0.494 1.00 1.00 O ATOM 888 CB CYS A 60 73.725 13.904 -1.416 1.00 1.00 C ATOM 889 SG CYS A 60 72.314 13.506 -2.478 1.00 1.00 S ATOM 0 H CYS A 60 74.882 14.709 0.785 1.00 1.00 H new ATOM 0 HA CYS A 60 73.463 16.042 -1.485 1.00 1.00 H new ATOM 0 HB2 CYS A 60 74.640 13.940 -2.007 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.860 13.125 -0.666 1.00 1.00 H new ATOM 894 N GLY A 61 71.545 14.063 0.101 1.00 1.00 N ATOM 895 CA GLY A 61 70.237 13.947 0.811 1.00 1.00 C ATOM 896 C GLY A 61 70.427 13.117 2.079 1.00 1.00 C ATOM 897 O GLY A 61 69.923 12.017 2.193 1.00 1.00 O ATOM 0 H GLY A 61 71.903 13.190 -0.287 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.857 14.937 1.063 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.497 13.478 0.162 1.00 1.00 H new ATOM 901 N THR A 62 71.156 13.638 3.030 1.00 1.00 N ATOM 902 CA THR A 62 71.397 12.893 4.302 1.00 1.00 C ATOM 903 C THR A 62 70.157 12.079 4.679 1.00 1.00 C ATOM 904 O THR A 62 69.165 12.613 5.132 1.00 1.00 O ATOM 905 CB THR A 62 71.703 13.891 5.420 1.00 1.00 C ATOM 906 OG1 THR A 62 70.742 14.937 5.394 1.00 1.00 O ATOM 907 CG2 THR A 62 73.102 14.475 5.217 1.00 1.00 C ATOM 0 H THR A 62 71.599 14.556 2.980 1.00 1.00 H new ATOM 0 HA THR A 62 72.240 12.216 4.165 1.00 1.00 H new ATOM 0 HB THR A 62 71.661 13.382 6.383 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.847 14.556 5.278 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.319 15.186 6.014 1.00 1.00 H new ATOM 0 HG22 THR A 62 73.838 13.671 5.237 1.00 1.00 H new ATOM 0 HG23 THR A 62 73.147 14.984 4.254 1.00 1.00 H new ATOM 915 N ASP A 63 70.210 10.789 4.496 1.00 1.00 N ATOM 916 CA ASP A 63 69.039 9.937 4.844 1.00 1.00 C ATOM 917 C ASP A 63 68.588 10.256 6.271 1.00 1.00 C ATOM 918 O ASP A 63 67.436 10.559 6.514 1.00 1.00 O ATOM 919 CB ASP A 63 69.441 8.464 4.754 1.00 1.00 C ATOM 920 CG ASP A 63 68.189 7.599 4.598 1.00 1.00 C ATOM 921 OD1 ASP A 63 67.497 7.409 5.585 1.00 1.00 O ATOM 922 OD2 ASP A 63 67.942 7.142 3.494 1.00 1.00 O ATOM 0 H ASP A 63 71.015 10.288 4.120 1.00 1.00 H new ATOM 0 HA ASP A 63 68.222 10.135 4.150 1.00 1.00 H new ATOM 0 HB2 ASP A 63 70.109 8.310 3.907 1.00 1.00 H new ATOM 0 HB3 ASP A 63 69.989 8.171 5.650 1.00 1.00 H new ATOM 927 N ILE A 64 69.491 10.196 7.215 1.00 1.00 N ATOM 928 CA ILE A 64 69.126 10.501 8.630 1.00 1.00 C ATOM 929 C ILE A 64 69.745 11.846 9.017 1.00 1.00 C ATOM 930 O ILE A 64 69.072 12.760 9.450 1.00 1.00 O ATOM 931 CB ILE A 64 69.666 9.390 9.547 1.00 1.00 C ATOM 932 CG1 ILE A 64 68.636 8.262 9.640 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.923 9.959 10.943 1.00 1.00 C ATOM 934 CD1 ILE A 64 67.354 8.792 10.285 1.00 1.00 C ATOM 0 H ILE A 64 70.469 9.948 7.066 1.00 1.00 H new ATOM 0 HA ILE A 64 68.043 10.553 8.737 1.00 1.00 H new ATOM 0 HB ILE A 64 70.598 9.001 9.136 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.420 7.870 8.646 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.037 7.437 10.228 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.306 9.171 11.592 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.655 10.764 10.879 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.992 10.348 11.355 1.00 1.00 H new ATOM 0 HD11 ILE A 64 66.621 7.988 10.351 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.577 9.163 11.285 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.950 9.603 9.679 1.00 1.00 H new ATOM 946 N THR A 65 71.028 11.960 8.850 1.00 1.00 N ATOM 947 CA THR A 65 71.741 13.223 9.184 1.00 1.00 C ATOM 948 C THR A 65 73.112 13.150 8.522 1.00 1.00 C ATOM 949 O THR A 65 73.732 14.145 8.207 1.00 1.00 O ATOM 950 CB THR A 65 71.900 13.337 10.705 1.00 1.00 C ATOM 951 OG1 THR A 65 70.624 13.242 11.321 1.00 1.00 O ATOM 952 CG2 THR A 65 72.539 14.682 11.054 1.00 1.00 C ATOM 0 H THR A 65 71.627 11.217 8.489 1.00 1.00 H new ATOM 0 HA THR A 65 71.187 14.093 8.832 1.00 1.00 H new ATOM 0 HB THR A 65 72.539 12.530 11.065 1.00 1.00 H new ATOM 0 HG1 THR A 65 69.938 13.572 10.704 1.00 1.00 H new ATOM 0 HG21 THR A 65 72.651 14.762 12.135 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.518 14.753 10.581 1.00 1.00 H new ATOM 0 HG23 THR A 65 71.903 15.491 10.695 1.00 1.00 H new ATOM 960 N VAL A 66 73.570 11.951 8.304 1.00 1.00 N ATOM 961 CA VAL A 66 74.887 11.734 7.655 1.00 1.00 C ATOM 962 C VAL A 66 75.079 10.225 7.483 1.00 1.00 C ATOM 963 O VAL A 66 75.381 9.746 6.408 1.00 1.00 O ATOM 964 CB VAL A 66 76.012 12.311 8.537 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.300 13.754 8.119 1.00 1.00 C ATOM 966 CG2 VAL A 66 75.573 12.284 10.003 1.00 1.00 C ATOM 0 H VAL A 66 73.075 11.095 8.554 1.00 1.00 H new ATOM 0 HA VAL A 66 74.922 12.236 6.688 1.00 1.00 H new ATOM 0 HB VAL A 66 76.914 11.711 8.415 1.00 1.00 H new ATOM 0 HG11 VAL A 66 77.095 14.162 8.743 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.611 13.775 7.075 1.00 1.00 H new ATOM 0 HG13 VAL A 66 75.399 14.355 8.241 1.00 1.00 H new ATOM 0 HG21 VAL A 66 76.367 12.692 10.628 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.672 12.885 10.124 1.00 1.00 H new ATOM 0 HG23 VAL A 66 75.367 11.256 10.302 1.00 1.00 H new ATOM 976 N ILE A 67 74.891 9.473 8.538 1.00 1.00 N ATOM 977 CA ILE A 67 75.047 7.991 8.448 1.00 1.00 C ATOM 978 C ILE A 67 73.881 7.310 9.185 1.00 1.00 C ATOM 979 O ILE A 67 73.929 7.105 10.381 1.00 1.00 O ATOM 980 CB ILE A 67 76.390 7.580 9.088 1.00 1.00 C ATOM 981 CG1 ILE A 67 77.516 7.762 8.068 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.325 6.113 9.516 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.991 9.216 8.085 1.00 1.00 C ATOM 0 H ILE A 67 74.635 9.824 9.461 1.00 1.00 H new ATOM 0 HA ILE A 67 75.039 7.680 7.403 1.00 1.00 H new ATOM 0 HB ILE A 67 76.582 8.205 9.960 1.00 1.00 H new ATOM 0 HG12 ILE A 67 78.345 7.095 8.303 1.00 1.00 H new ATOM 0 HG13 ILE A 67 77.165 7.495 7.071 1.00 1.00 H new ATOM 0 HG21 ILE A 67 77.274 5.823 9.968 1.00 1.00 H new ATOM 0 HG22 ILE A 67 75.522 5.981 10.241 1.00 1.00 H new ATOM 0 HG23 ILE A 67 76.133 5.488 8.644 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.793 9.345 7.358 1.00 1.00 H new ATOM 0 HD12 ILE A 67 77.160 9.873 7.829 1.00 1.00 H new ATOM 0 HD13 ILE A 67 78.359 9.467 9.080 1.00 1.00 H new ATOM 995 N CYS A 68 72.835 6.951 8.481 1.00 1.00 N ATOM 996 CA CYS A 68 71.685 6.277 9.150 1.00 1.00 C ATOM 997 C CYS A 68 72.152 4.933 9.717 1.00 1.00 C ATOM 998 O CYS A 68 73.051 4.311 9.188 1.00 1.00 O ATOM 999 CB CYS A 68 70.575 6.035 8.122 1.00 1.00 C ATOM 1000 SG CYS A 68 70.951 4.543 7.169 1.00 1.00 S ATOM 0 H CYS A 68 72.730 7.096 7.477 1.00 1.00 H new ATOM 0 HA CYS A 68 71.307 6.905 9.957 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.615 5.925 8.626 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.488 6.893 7.455 1.00 1.00 H new ATOM 1005 N PRO A 69 71.547 4.475 10.786 1.00 1.00 N ATOM 1006 CA PRO A 69 71.918 3.178 11.415 1.00 1.00 C ATOM 1007 C PRO A 69 72.231 2.101 10.371 1.00 1.00 C ATOM 1008 O PRO A 69 73.084 1.259 10.571 1.00 1.00 O ATOM 1009 CB PRO A 69 70.673 2.810 12.219 1.00 1.00 C ATOM 1010 CG PRO A 69 70.060 4.119 12.598 1.00 1.00 C ATOM 1011 CD PRO A 69 70.447 5.131 11.511 1.00 1.00 C ATOM 0 HA PRO A 69 72.821 3.254 12.021 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.984 2.208 11.627 1.00 1.00 H new ATOM 0 HB3 PRO A 69 70.931 2.224 13.101 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.976 4.029 12.672 1.00 1.00 H new ATOM 0 HG3 PRO A 69 70.421 4.445 13.574 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.607 5.347 10.851 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.765 6.079 11.944 1.00 1.00 H new ATOM 1019 N TRP A 70 71.550 2.125 9.258 1.00 1.00 N ATOM 1020 CA TRP A 70 71.814 1.106 8.203 1.00 1.00 C ATOM 1021 C TRP A 70 73.097 1.481 7.455 1.00 1.00 C ATOM 1022 O TRP A 70 73.813 0.630 6.968 1.00 1.00 O ATOM 1023 CB TRP A 70 70.630 1.064 7.222 1.00 1.00 C ATOM 1024 CG TRP A 70 69.825 -0.173 7.463 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.901 -1.304 6.726 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.827 -0.423 8.496 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.014 -2.233 7.239 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.329 -1.738 8.331 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.312 0.354 9.548 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.353 -2.262 9.182 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.332 -0.169 10.405 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.853 -1.473 10.223 1.00 1.00 C ATOM 0 H TRP A 70 70.823 2.805 9.034 1.00 1.00 H new ATOM 0 HA TRP A 70 71.933 0.123 8.659 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.005 1.948 7.351 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.995 1.079 6.195 1.00 1.00 H new ATOM 0 HD1 TRP A 70 70.549 -1.457 5.875 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.882 -3.170 6.857 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.673 1.361 9.698 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.988 -3.268 9.037 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.944 0.437 11.210 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.098 -1.869 10.886 1.00 1.00 H new ATOM 1043 N GLU A 71 73.395 2.750 7.365 1.00 1.00 N ATOM 1044 CA GLU A 71 74.636 3.175 6.653 1.00 1.00 C ATOM 1045 C GLU A 71 75.819 3.061 7.615 1.00 1.00 C ATOM 1046 O GLU A 71 76.941 3.387 7.280 1.00 1.00 O ATOM 1047 CB GLU A 71 74.483 4.631 6.180 1.00 1.00 C ATOM 1048 CG GLU A 71 74.634 4.694 4.659 1.00 1.00 C ATOM 1049 CD GLU A 71 76.114 4.583 4.287 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.931 4.558 5.192 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.404 4.526 3.104 1.00 1.00 O ATOM 0 H GLU A 71 72.835 3.509 7.753 1.00 1.00 H new ATOM 0 HA GLU A 71 74.807 2.537 5.786 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.508 5.020 6.475 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.235 5.260 6.657 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.070 3.886 4.193 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.222 5.630 4.281 1.00 1.00 H new ATOM 1058 N ALA A 72 75.574 2.599 8.808 1.00 1.00 N ATOM 1059 CA ALA A 72 76.678 2.459 9.795 1.00 1.00 C ATOM 1060 C ALA A 72 77.638 1.364 9.327 1.00 1.00 C ATOM 1061 O ALA A 72 77.269 0.481 8.579 1.00 1.00 O ATOM 1062 CB ALA A 72 76.094 2.079 11.156 1.00 1.00 C ATOM 0 H ALA A 72 74.654 2.312 9.143 1.00 1.00 H new ATOM 0 HA ALA A 72 77.216 3.403 9.881 1.00 1.00 H new ATOM 0 HB1 ALA A 72 76.900 1.976 11.882 1.00 1.00 H new ATOM 0 HB2 ALA A 72 75.406 2.857 11.487 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.559 1.133 11.071 1.00 1.00 H new ATOM 1068 N CYS A 73 78.867 1.414 9.760 1.00 1.00 N ATOM 1069 CA CYS A 73 79.846 0.374 9.338 1.00 1.00 C ATOM 1070 C CYS A 73 79.576 -0.920 10.110 1.00 1.00 C ATOM 1071 O CYS A 73 80.488 -1.611 10.521 1.00 1.00 O ATOM 1072 CB CYS A 73 81.268 0.866 9.633 1.00 1.00 C ATOM 1073 SG CYS A 73 82.375 0.345 8.299 1.00 1.00 S ATOM 0 H CYS A 73 79.235 2.129 10.387 1.00 1.00 H new ATOM 0 HA CYS A 73 79.744 0.184 8.269 1.00 1.00 H new ATOM 0 HB2 CYS A 73 81.277 1.952 9.724 1.00 1.00 H new ATOM 0 HB3 CYS A 73 81.614 0.463 10.585 1.00 1.00 H new ATOM 1078 N ASN A 74 78.329 -1.253 10.310 1.00 1.00 N ATOM 1079 CA ASN A 74 78.003 -2.500 11.057 1.00 1.00 C ATOM 1080 C ASN A 74 76.493 -2.759 10.993 1.00 1.00 C ATOM 1081 O ASN A 74 75.840 -2.430 10.023 1.00 1.00 O ATOM 1082 CB ASN A 74 78.439 -2.344 12.515 1.00 1.00 C ATOM 1083 CG ASN A 74 77.786 -1.097 13.113 1.00 1.00 C ATOM 1084 OD1 ASN A 74 77.963 -0.004 12.612 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.033 -1.214 14.172 1.00 1.00 N ATOM 0 H ASN A 74 77.524 -0.716 9.989 1.00 1.00 H new ATOM 0 HA ASN A 74 78.529 -3.343 10.608 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.154 -3.227 13.087 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.524 -2.263 12.574 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.593 -0.388 14.579 1.00 1.00 H new ATOM 0 HD22 ASN A 74 76.884 -2.131 14.593 1.00 1.00 H new ATOM 1092 N HIS A 75 75.935 -3.351 12.015 1.00 1.00 N ATOM 1093 CA HIS A 75 74.470 -3.636 12.007 1.00 1.00 C ATOM 1094 C HIS A 75 74.166 -4.686 10.932 1.00 1.00 C ATOM 1095 O HIS A 75 73.278 -5.502 11.080 1.00 1.00 O ATOM 1096 CB HIS A 75 73.696 -2.344 11.706 1.00 1.00 C ATOM 1097 CG HIS A 75 72.392 -2.352 12.456 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.968 -1.270 13.213 1.00 1.00 N ATOM 1099 CD2 HIS A 75 71.407 -3.302 12.574 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.777 -1.590 13.749 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.391 -2.816 13.392 1.00 1.00 N ATOM 0 H HIS A 75 76.430 -3.650 12.855 1.00 1.00 H new ATOM 0 HA HIS A 75 74.165 -4.016 12.982 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.289 -1.477 11.996 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.511 -2.260 10.635 1.00 1.00 H new ATOM 0 HD2 HIS A 75 71.419 -4.275 12.105 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.204 -0.936 14.389 1.00 1.00 H new ATOM 0 HE2 HIS A 75 69.532 -3.296 13.662 1.00 1.00 H new ATOM 1110 N CYS A 76 74.900 -4.669 9.852 1.00 1.00 N ATOM 1111 CA CYS A 76 74.661 -5.662 8.766 1.00 1.00 C ATOM 1112 C CYS A 76 75.811 -5.598 7.759 1.00 1.00 C ATOM 1113 O CYS A 76 75.776 -6.228 6.721 1.00 1.00 O ATOM 1114 CB CYS A 76 73.343 -5.336 8.059 1.00 1.00 C ATOM 1115 SG CYS A 76 73.245 -3.554 7.757 1.00 1.00 S ATOM 0 H CYS A 76 75.657 -4.008 9.675 1.00 1.00 H new ATOM 0 HA CYS A 76 74.606 -6.664 9.192 1.00 1.00 H new ATOM 0 HB2 CYS A 76 73.280 -5.879 7.116 1.00 1.00 H new ATOM 0 HB3 CYS A 76 72.500 -5.659 8.670 1.00 1.00 H new ATOM 1120 N GLU A 77 76.831 -4.837 8.056 1.00 1.00 N ATOM 1121 CA GLU A 77 77.982 -4.727 7.113 1.00 1.00 C ATOM 1122 C GLU A 77 78.547 -6.118 6.819 1.00 1.00 C ATOM 1123 O GLU A 77 78.859 -6.444 5.691 1.00 1.00 O ATOM 1124 CB GLU A 77 79.081 -3.865 7.739 1.00 1.00 C ATOM 1125 CG GLU A 77 80.311 -3.865 6.829 1.00 1.00 C ATOM 1126 CD GLU A 77 81.281 -2.773 7.280 1.00 1.00 C ATOM 1127 OE1 GLU A 77 80.994 -1.613 7.033 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.296 -3.114 7.866 1.00 1.00 O ATOM 0 H GLU A 77 76.917 -4.287 8.911 1.00 1.00 H new ATOM 0 HA GLU A 77 77.637 -4.269 6.186 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.721 -2.846 7.882 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.344 -4.251 8.724 1.00 1.00 H new ATOM 0 HG2 GLU A 77 80.801 -4.838 6.863 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.011 -3.695 5.795 1.00 1.00 H new ATOM 1135 N LEU A 78 78.690 -6.937 7.825 1.00 1.00 N ATOM 1136 CA LEU A 78 79.245 -8.304 7.605 1.00 1.00 C ATOM 1137 C LEU A 78 78.609 -8.928 6.360 1.00 1.00 C ATOM 1138 O LEU A 78 77.417 -8.828 6.144 1.00 1.00 O ATOM 1139 CB LEU A 78 78.941 -9.178 8.826 1.00 1.00 C ATOM 1140 CG LEU A 78 79.872 -10.392 8.835 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.172 -10.034 9.557 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.188 -11.551 9.563 1.00 1.00 C ATOM 0 H LEU A 78 78.446 -6.719 8.791 1.00 1.00 H new ATOM 0 HA LEU A 78 80.323 -8.237 7.461 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.072 -8.600 9.741 1.00 1.00 H new ATOM 0 HB3 LEU A 78 77.901 -9.505 8.802 1.00 1.00 H new ATOM 0 HG LEU A 78 80.096 -10.686 7.810 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.835 -10.899 9.563 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.659 -9.207 9.040 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.949 -9.740 10.583 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.850 -12.417 9.571 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.965 -11.256 10.588 1.00 1.00 H new ATOM 0 HD23 LEU A 78 78.261 -11.807 9.049 1.00 1.00 H new ATOM 1154 N HIS A 79 79.394 -9.572 5.540 1.00 1.00 N ATOM 1155 CA HIS A 79 78.830 -10.201 4.314 1.00 1.00 C ATOM 1156 C HIS A 79 78.014 -11.433 4.706 1.00 1.00 C ATOM 1157 O HIS A 79 78.389 -12.554 4.423 1.00 1.00 O ATOM 1158 CB HIS A 79 79.968 -10.612 3.375 1.00 1.00 C ATOM 1159 CG HIS A 79 81.080 -11.233 4.175 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.067 -12.570 4.544 1.00 1.00 N ATOM 1161 CD2 HIS A 79 82.245 -10.713 4.685 1.00 1.00 C ATOM 1162 CE1 HIS A 79 82.191 -12.810 5.244 1.00 1.00 C ATOM 1163 NE2 HIS A 79 82.941 -11.712 5.358 1.00 1.00 N ATOM 0 H HIS A 79 80.399 -9.689 5.666 1.00 1.00 H new ATOM 0 HA HIS A 79 78.185 -9.486 3.802 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.602 -11.320 2.631 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.338 -9.742 2.833 1.00 1.00 H new ATOM 0 HD1 HIS A 79 80.338 -13.248 4.325 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.570 -9.688 4.580 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.453 -13.771 5.661 1.00 1.00 H new ATOM 1172 N GLU A 80 76.899 -11.232 5.357 1.00 1.00 N ATOM 1173 CA GLU A 80 76.052 -12.388 5.772 1.00 1.00 C ATOM 1174 C GLU A 80 74.860 -12.516 4.822 1.00 1.00 C ATOM 1175 O GLU A 80 74.663 -13.538 4.197 1.00 1.00 O ATOM 1176 CB GLU A 80 75.544 -12.163 7.198 1.00 1.00 C ATOM 1177 CG GLU A 80 75.012 -13.481 7.764 1.00 1.00 C ATOM 1178 CD GLU A 80 76.186 -14.390 8.131 1.00 1.00 C ATOM 1179 OE1 GLU A 80 76.641 -14.311 9.260 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.610 -15.151 7.277 1.00 1.00 O ATOM 0 H GLU A 80 76.538 -10.315 5.620 1.00 1.00 H new ATOM 0 HA GLU A 80 76.645 -13.302 5.737 1.00 1.00 H new ATOM 0 HB2 GLU A 80 76.350 -11.784 7.827 1.00 1.00 H new ATOM 0 HB3 GLU A 80 74.756 -11.410 7.200 1.00 1.00 H new ATOM 0 HG2 GLU A 80 74.398 -13.290 8.644 1.00 1.00 H new ATOM 0 HG3 GLU A 80 74.373 -13.973 7.030 1.00 1.00 H new ATOM 1187 N LEU A 81 74.062 -11.489 4.708 1.00 1.00 N ATOM 1188 CA LEU A 81 72.886 -11.563 3.796 1.00 1.00 C ATOM 1189 C LEU A 81 73.361 -11.442 2.347 1.00 1.00 C ATOM 1190 O LEU A 81 72.599 -11.116 1.458 1.00 1.00 O ATOM 1191 CB LEU A 81 71.917 -10.415 4.112 1.00 1.00 C ATOM 1192 CG LEU A 81 71.017 -10.810 5.284 1.00 1.00 C ATOM 1193 CD1 LEU A 81 70.084 -11.943 4.852 1.00 1.00 C ATOM 1194 CD2 LEU A 81 71.883 -11.283 6.454 1.00 1.00 C ATOM 0 H LEU A 81 74.173 -10.605 5.205 1.00 1.00 H new ATOM 0 HA LEU A 81 72.376 -12.516 3.937 1.00 1.00 H new ATOM 0 HB2 LEU A 81 72.475 -9.512 4.358 1.00 1.00 H new ATOM 0 HB3 LEU A 81 71.310 -10.186 3.236 1.00 1.00 H new ATOM 0 HG LEU A 81 70.425 -9.949 5.593 1.00 1.00 H new ATOM 0 HD11 LEU A 81 69.443 -12.225 5.687 1.00 1.00 H new ATOM 0 HD12 LEU A 81 69.467 -11.609 4.018 1.00 1.00 H new ATOM 0 HD13 LEU A 81 70.676 -12.804 4.543 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.243 -11.565 7.290 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.475 -12.144 6.144 1.00 1.00 H new ATOM 0 HD23 LEU A 81 72.549 -10.477 6.763 1.00 1.00 H new ATOM 1206 N ALA A 82 74.616 -11.701 2.101 1.00 1.00 N ATOM 1207 CA ALA A 82 75.141 -11.599 0.710 1.00 1.00 C ATOM 1208 C ALA A 82 74.526 -12.702 -0.156 1.00 1.00 C ATOM 1209 O ALA A 82 75.181 -13.663 -0.508 1.00 1.00 O ATOM 1210 CB ALA A 82 76.663 -11.758 0.727 1.00 1.00 C ATOM 0 H ALA A 82 75.301 -11.979 2.804 1.00 1.00 H new ATOM 0 HA ALA A 82 74.879 -10.625 0.297 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.048 -11.684 -0.290 1.00 1.00 H new ATOM 0 HB2 ALA A 82 77.104 -10.972 1.340 1.00 1.00 H new ATOM 0 HB3 ALA A 82 76.922 -12.732 1.143 1.00 1.00 H new ATOM 1216 N GLN A 83 73.276 -12.570 -0.506 1.00 1.00 N ATOM 1217 CA GLN A 83 72.628 -13.611 -1.354 1.00 1.00 C ATOM 1218 C GLN A 83 73.227 -13.560 -2.760 1.00 1.00 C ATOM 1219 O GLN A 83 73.985 -14.423 -3.157 1.00 1.00 O ATOM 1220 CB GLN A 83 71.123 -13.340 -1.437 1.00 1.00 C ATOM 1221 CG GLN A 83 70.421 -14.534 -2.087 1.00 1.00 C ATOM 1222 CD GLN A 83 70.191 -15.624 -1.038 1.00 1.00 C ATOM 1223 OE1 GLN A 83 70.805 -15.614 0.010 1.00 1.00 O ATOM 1224 NE2 GLN A 83 69.325 -16.570 -1.278 1.00 1.00 N ATOM 0 H GLN A 83 72.676 -11.788 -0.242 1.00 1.00 H new ATOM 0 HA GLN A 83 72.797 -14.595 -0.916 1.00 1.00 H new ATOM 0 HB2 GLN A 83 70.719 -13.167 -0.440 1.00 1.00 H new ATOM 0 HB3 GLN A 83 70.938 -12.436 -2.017 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.469 -14.220 -2.516 1.00 1.00 H new ATOM 0 HG3 GLN A 83 71.026 -14.924 -2.905 1.00 1.00 H new ATOM 0 HE21 GLN A 83 68.809 -16.578 -2.158 1.00 1.00 H new ATOM 0 HE22 GLN A 83 69.164 -17.301 -0.585 1.00 1.00 H new ATOM 1233 N TYR A 84 72.893 -12.551 -3.517 1.00 1.00 N ATOM 1234 CA TYR A 84 73.443 -12.443 -4.897 1.00 1.00 C ATOM 1235 C TYR A 84 74.911 -12.023 -4.820 1.00 1.00 C ATOM 1236 O TYR A 84 75.778 -12.638 -5.410 1.00 1.00 O ATOM 1237 CB TYR A 84 72.661 -11.385 -5.685 1.00 1.00 C ATOM 1238 CG TYR A 84 71.197 -11.463 -5.323 1.00 1.00 C ATOM 1239 CD1 TYR A 84 70.459 -12.610 -5.637 1.00 1.00 C ATOM 1240 CD2 TYR A 84 70.578 -10.388 -4.674 1.00 1.00 C ATOM 1241 CE1 TYR A 84 69.101 -12.682 -5.301 1.00 1.00 C ATOM 1242 CE2 TYR A 84 69.221 -10.460 -4.338 1.00 1.00 C ATOM 1243 CZ TYR A 84 68.483 -11.607 -4.652 1.00 1.00 C ATOM 1244 OH TYR A 84 67.145 -11.678 -4.321 1.00 1.00 O ATOM 0 H TYR A 84 72.264 -11.798 -3.240 1.00 1.00 H new ATOM 0 HA TYR A 84 73.355 -13.407 -5.398 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.049 -10.391 -5.462 1.00 1.00 H new ATOM 0 HB3 TYR A 84 72.790 -11.545 -6.755 1.00 1.00 H new ATOM 0 HD1 TYR A 84 70.936 -13.439 -6.138 1.00 1.00 H new ATOM 0 HD2 TYR A 84 71.148 -9.503 -4.432 1.00 1.00 H new ATOM 0 HE1 TYR A 84 68.531 -13.567 -5.543 1.00 1.00 H new ATOM 0 HE2 TYR A 84 68.744 -9.631 -3.837 1.00 1.00 H new ATOM 0 HH TYR A 84 66.874 -10.849 -3.875 1.00 1.00 H new ATOM 1254 N GLY A 85 75.188 -10.965 -4.106 1.00 1.00 N ATOM 1255 CA GLY A 85 76.589 -10.473 -3.991 1.00 1.00 C ATOM 1256 C GLY A 85 76.671 -9.109 -4.668 1.00 1.00 C ATOM 1257 O GLY A 85 75.764 -8.701 -5.365 1.00 1.00 O ATOM 0 H GLY A 85 74.497 -10.417 -3.594 1.00 1.00 H new ATOM 0 HA2 GLY A 85 76.880 -10.396 -2.943 1.00 1.00 H new ATOM 0 HA3 GLY A 85 77.278 -11.174 -4.463 1.00 1.00 H new ATOM 1261 N ILE A 86 77.738 -8.396 -4.469 1.00 1.00 N ATOM 1262 CA ILE A 86 77.853 -7.058 -5.108 1.00 1.00 C ATOM 1263 C ILE A 86 76.598 -6.254 -4.778 1.00 1.00 C ATOM 1264 O ILE A 86 75.725 -6.067 -5.602 1.00 1.00 O ATOM 1265 CB ILE A 86 77.989 -7.234 -6.624 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.415 -7.676 -6.959 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.691 -5.905 -7.322 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.689 -9.042 -6.327 1.00 1.00 C ATOM 0 H ILE A 86 78.533 -8.678 -3.895 1.00 1.00 H new ATOM 0 HA ILE A 86 78.731 -6.530 -4.736 1.00 1.00 H new ATOM 0 HB ILE A 86 77.283 -7.990 -6.966 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.545 -7.731 -8.040 1.00 1.00 H new ATOM 0 HG13 ILE A 86 80.131 -6.942 -6.589 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.788 -6.031 -8.400 1.00 1.00 H new ATOM 0 HG22 ILE A 86 76.676 -5.588 -7.083 1.00 1.00 H new ATOM 0 HG23 ILE A 86 78.397 -5.148 -6.980 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.705 -9.356 -6.566 1.00 1.00 H new ATOM 0 HD12 ILE A 86 79.576 -8.972 -5.245 1.00 1.00 H new ATOM 0 HD13 ILE A 86 78.982 -9.773 -6.719 1.00 1.00 H new ATOM 1280 N CYS A 87 76.499 -5.787 -3.569 1.00 1.00 N ATOM 1281 CA CYS A 87 75.299 -5.004 -3.166 1.00 1.00 C ATOM 1282 C CYS A 87 75.099 -3.839 -4.140 1.00 1.00 C ATOM 1283 CB CYS A 87 75.500 -4.459 -1.749 1.00 1.00 C ATOM 1284 SG CYS A 87 76.642 -5.535 -0.846 1.00 1.00 S ATOM 0 H CYS A 87 77.199 -5.913 -2.838 1.00 1.00 H new ATOM 0 HA CYS A 87 74.420 -5.648 -3.186 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.896 -3.444 -1.791 1.00 1.00 H new ATOM 0 HB3 CYS A 87 74.544 -4.407 -1.229 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 53.239 -2.115 4.161 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.403 -4.128 6.589 1.00 1.00 O HETATM 1292 O1H RCY A 110 53.082 -2.229 6.436 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.521 -0.462 3.095 1.00 1.00 O HETATM 1294 C1L RCY A 110 56.073 -2.860 8.205 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.320 -4.139 3.837 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.369 -3.515 6.849 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.280 -2.408 6.651 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.221 -3.309 5.862 1.00 1.00 N HETATM 1299 C1S RCY A 110 55.096 -1.767 7.760 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.051 -3.861 4.445 1.00 1.00 C HETATM 1301 C1V RCY A 110 53.971 -3.518 2.181 1.00 1.00 C HETATM 1302 N1V RCY A 110 55.565 -1.913 3.254 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.795 -2.819 3.217 1.00 1.00 C HETATM 1304 C1X RCY A 110 54.398 -2.860 3.494 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.255 -3.037 1.773 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.910 -2.184 4.047 1.00 1.00 C HETATM 0 H1ZA RCY A 110 58.758 -2.867 4.100 1.00 1.00 H new HETATM 0 H1YB RCY A 110 58.079 -3.751 1.757 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.426 -3.426 1.182 1.00 1.00 H new HETATM 0 H1VB RCY A 110 53.172 -4.233 2.376 1.00 1.00 H new HETATM 0 H1VA RCY A 110 53.614 -2.754 1.491 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.035 -4.502 4.576 1.00 1.00 H new HETATM 0 H1CB RCY A 110 52.480 -2.831 4.477 1.00 1.00 H new HETATM 0 H1CA RCY A 110 53.609 -1.570 5.030 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.224 -1.250 3.581 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.588 -2.089 1.350 1.00 1.00 H new HETATM 0 H1V RCY A 110 54.823 -4.036 1.740 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.436 -4.751 4.575 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.226 -4.915 3.077 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.968 -2.453 8.676 1.00 1.00 H new HETATM 0 H1C RCY A 110 52.802 -1.413 3.451 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.709 1.037 -7.775 1.00 1.00 C HETATM 1310 O1G RCY A 121 59.653 0.091 -8.530 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.690 -3.449 -7.795 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.991 -0.671 -6.803 1.00 1.00 O HETATM 1313 C1L RCY A 121 59.561 -1.938 -7.166 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.458 -1.684 -10.169 1.00 1.00 C HETATM 1315 C1P RCY A 121 60.185 -0.956 -8.166 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.659 -2.807 -7.988 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.550 -1.440 -8.653 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.254 -3.233 -7.605 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.556 -0.742 -9.570 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.262 1.118 -9.777 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.406 -0.769 -8.137 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.593 -1.890 -9.158 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.473 0.222 -8.820 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.955 -1.765 -9.846 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.468 -3.239 -8.450 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.518 -3.284 -7.918 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.510 -4.042 -9.186 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.038 -2.519 -10.629 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.050 -0.773 -10.287 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.576 1.785 -10.299 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.983 1.709 -9.212 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.952 -2.625 -10.384 1.00 1.00 H new HETATM 0 H1LA RCY A 121 59.781 -1.677 -6.131 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.930 1.619 -8.266 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.255 0.363 -7.049 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.287 -3.355 -7.740 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.748 -1.914 -9.113 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.790 0.499 -10.503 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.937 -0.220 -10.300 1.00 1.00 H new HETATM 0 H1S RCY A 121 59.736 -3.693 -8.447 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.844 -1.306 -11.116 1.00 1.00 H new HETATM 0 H1L RCY A 121 58.476 -1.993 -7.257 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.397 1.710 -7.264 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.949 8.887 -10.383 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.829 6.496 -12.273 1.00 1.00 O HETATM 1330 O1H RCY A 130 72.241 5.502 -11.759 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.250 8.837 -7.388 1.00 1.00 O HETATM 1332 C1L RCY A 130 75.162 5.473 -13.743 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.596 5.752 -8.956 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.679 6.094 -12.439 1.00 1.00 C HETATM 1335 C1Q RCY A 130 73.432 5.432 -12.060 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.587 6.150 -11.372 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.024 4.610 -13.190 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.630 6.765 -9.972 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.160 6.684 -10.055 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.829 7.690 -8.187 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.190 6.393 -7.695 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.930 7.520 -9.696 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.248 5.477 -7.073 1.00 1.00 C HETATM 1344 C1Z RCY A 130 74.101 6.726 -6.675 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.390 7.424 -7.117 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 73.581 5.813 -6.387 1.00 1.00 H new HETATM 0 H1YB RCY A 130 75.792 4.525 -6.804 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.049 5.305 -7.792 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.189 6.524 -11.133 1.00 1.00 H new HETATM 0 H1VA RCY A 130 78.062 7.210 -9.742 1.00 1.00 H new HETATM 0 H1MA RCY A 130 73.575 5.414 -8.777 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.810 6.223 -14.452 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.853 8.754 -11.461 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.118 9.490 -10.016 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.555 7.179 -5.793 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.658 5.949 -6.180 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.107 5.721 -9.546 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.766 7.429 -9.943 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.394 3.650 -12.830 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.173 4.878 -9.258 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.923 4.883 -14.254 1.00 1.00 H new HETATM 0 H1C RCY A 130 76.889 9.392 -10.162 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.978 0.033 -1.714 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.422 1.216 -2.998 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.260 -1.134 -4.430 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.805 2.464 -0.378 1.00 1.00 O HETATM 1351 C1L RCY A 138 82.606 1.086 -5.136 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.404 -0.480 -0.901 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.370 0.782 -3.651 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.413 -0.258 -4.264 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.458 -0.128 -3.083 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.126 0.900 -5.203 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.571 -0.753 -1.691 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.997 -0.994 0.387 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.117 1.181 -0.490 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.636 0.891 -0.254 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.717 -0.166 -0.869 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.334 0.836 1.246 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.800 1.975 -0.934 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.074 2.038 -1.987 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.742 1.726 -0.848 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.294 0.545 1.397 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.988 0.106 1.722 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.373 -1.976 0.099 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.741 -0.485 1.000 1.00 1.00 H new HETATM 0 H1MA RCY A 138 81.508 -0.471 -1.521 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.072 0.399 -5.793 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.302 -0.927 -2.116 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.761 0.716 -2.536 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.987 2.935 -0.452 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.504 1.818 1.688 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.076 -1.112 0.958 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.719 -1.816 -1.884 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.650 1.803 -4.890 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.259 -1.249 -0.142 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.296 2.095 -5.410 1.00 1.00 H new HETATM 0 H1C RCY A 138 86.770 0.452 -1.093 1.00 1.00 H new HETATM 1366 C1C RCY A 150 78.829 6.573 4.564 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.445 8.533 4.515 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.754 9.537 1.299 1.00 1.00 O HETATM 1369 O1J RCY A 150 77.446 5.948 1.963 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.051 10.579 3.317 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.231 6.527 1.749 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.190 9.106 3.721 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.993 9.607 2.262 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.369 8.438 3.015 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.501 10.881 2.924 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.817 6.976 3.048 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.212 4.616 3.738 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.896 6.008 2.125 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.956 6.073 1.027 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.687 6.018 3.425 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.158 4.693 0.395 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.522 7.091 -0.028 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.326 8.050 0.451 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.315 7.210 -0.767 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.975 4.739 -0.326 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.400 3.969 1.173 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.823 4.649 4.640 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.372 3.939 3.893 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.725 7.328 1.199 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.356 10.721 2.489 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.452 6.731 5.445 1.00 1.00 H new HETATM 0 H1CA RCY A 150 78.386 7.521 4.258 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.616 6.740 -0.521 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.243 4.388 -0.113 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.816 4.259 2.904 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.621 6.958 3.783 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.945 5.708 1.830 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.702 11.206 4.138 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.037 5.863 4.802 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.535 6.891 -3.258 1.00 1.00 C HETATM 1386 O1G RCY A 160 74.637 9.495 -4.695 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.562 11.545 -0.579 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.126 5.162 -0.864 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.568 11.617 -4.109 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.784 8.919 -0.172 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.211 10.253 -3.825 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.512 11.146 -1.742 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.258 9.954 -2.328 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.689 11.757 -2.862 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.888 8.768 -1.595 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.659 7.571 -1.694 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.769 6.576 -0.784 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.912 7.508 0.417 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.172 7.448 -1.880 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.797 7.246 1.434 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.284 7.296 1.056 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.061 7.429 0.303 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.428 8.021 1.857 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.864 7.974 2.243 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.253 8.242 -2.451 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.199 6.588 -1.796 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.569 9.573 0.209 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.304 12.416 -4.192 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.249 7.608 -4.027 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.610 6.715 -3.308 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.343 6.287 1.464 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.446 7.970 -0.702 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.919 8.750 -1.948 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.740 11.236 -2.986 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.831 9.371 0.103 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.987 11.621 -5.032 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.006 5.952 -3.422 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.518 3.619 1.631 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.208 6.916 3.209 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.976 2.993 4.598 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.899 3.647 -1.316 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.390 6.133 5.378 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.112 4.917 0.992 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.615 6.059 3.863 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.319 4.167 4.473 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.012 4.789 3.266 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.130 5.270 5.499 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.078 4.266 1.830 1.00 1.00 C HETATM 1415 C1V RCY A 168 73.815 6.033 1.306 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.056 4.265 -0.297 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.617 4.755 -0.447 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.415 4.564 1.152 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.583 6.098 -1.183 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.807 3.704 -1.206 1.00 1.00 C HETATM 0 H1ZB RCY A 168 70.892 2.743 -0.699 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 69.760 4.005 -1.239 1.00 1.00 H new HETATM 0 H1YB RCY A 168 70.560 6.474 -1.208 1.00 1.00 H new HETATM 0 H1YA RCY A 168 72.220 6.814 -0.663 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.126 4.467 1.112 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.229 5.729 5.945 1.00 1.00 H new HETATM 0 H1CB RCY A 168 74.649 3.728 2.708 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.240 2.590 1.402 1.00 1.00 H new HETATM 0 H1Z RCY A 168 71.190 3.613 -2.222 1.00 1.00 H new HETATM 0 H1Y RCY A 168 71.945 5.964 -2.202 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.907 3.194 1.926 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.231 5.851 5.295 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.016 5.970 1.255 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.232 7.153 5.727 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.452 3.864 1.125 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.079 -1.938 4.145 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.921 -1.621 6.658 1.00 1.00 O HETATM 1425 O1H RCY A 173 81.901 0.553 5.342 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.460 -2.469 1.206 1.00 1.00 O HETATM 1427 C1L RCY A 173 79.812 -0.693 7.902 1.00 1.00 C HETATM 1428 C1M RCY A 173 80.455 -0.913 3.028 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.023 -1.075 6.644 1.00 1.00 C HETATM 1430 C1Q RCY A 173 81.096 -0.172 5.925 1.00 1.00 C HETATM 1431 N1R RCY A 173 79.776 -0.693 5.370 1.00 1.00 N HETATM 1432 C1S RCY A 173 81.236 -0.714 7.335 1.00 1.00 C HETATM 1433 C1U RCY A 173 79.329 -0.801 3.911 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.206 -3.317 4.174 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.534 -2.067 2.110 1.00 1.00 N HETATM 1436 C1W RCY A 173 79.925 -1.557 1.740 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.515 -2.064 3.633 1.00 1.00 C HETATM 1438 C1Y RCY A 173 80.824 -2.719 1.309 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.798 -0.528 0.617 1.00 1.00 C HETATM 0 H1ZA RCY A 173 80.776 -0.093 0.410 1.00 1.00 H new HETATM 0 H1YB RCY A 173 81.834 -2.350 1.129 1.00 1.00 H new HETATM 0 H1YA RCY A 173 80.847 -3.472 2.096 1.00 1.00 H new HETATM 0 H1VB RCY A 173 79.235 -3.275 5.263 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.653 -4.202 3.859 1.00 1.00 H new HETATM 0 H1MA RCY A 173 80.889 0.066 2.824 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.090 -1.768 5.222 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.589 -1.099 3.651 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.420 -1.015 -0.282 1.00 1.00 H new HETATM 0 H1V RCY A 173 80.223 -3.368 3.786 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.741 0.101 3.742 1.00 1.00 H new HETATM 0 H1M RCY A 173 81.240 -1.523 3.474 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.675 -1.408 8.714 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.024 -4.032 0.971 1.00 1.00 C HETATM 1443 O1G RCY A 176 72.413 -1.733 3.024 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.601 -3.697 5.902 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.728 -4.421 -0.295 1.00 1.00 O HETATM 1446 C1L RCY A 176 72.383 -2.332 5.397 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.735 -2.952 3.247 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.986 -2.237 3.989 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.545 -3.407 5.342 1.00 1.00 C HETATM 1450 N1R RCY A 176 74.387 -2.844 3.935 1.00 1.00 N HETATM 1451 C1S RCY A 176 73.152 -3.547 5.929 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.382 -2.883 2.773 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.197 -5.409 2.748 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.525 -4.062 1.105 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.562 -3.534 2.094 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.232 -4.132 1.905 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.455 -4.673 2.594 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.400 -2.452 1.411 1.00 1.00 C HETATM 0 H1ZA RCY A 176 79.081 -2.007 2.136 1.00 1.00 H new HETATM 0 H1YB RCY A 176 79.133 -4.295 3.359 1.00 1.00 H new HETATM 0 H1YA RCY A 176 77.834 -5.463 3.017 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.293 -5.418 3.357 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.201 -6.279 2.091 1.00 1.00 H new HETATM 0 H1LA RCY A 176 72.560 -1.434 5.989 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.116 -3.915 1.562 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.143 -3.171 0.314 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.034 -5.073 1.762 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.072 -5.441 3.397 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.172 -1.974 2.209 1.00 1.00 H new HETATM 0 H1S RCY A 176 72.683 -4.480 5.618 1.00 1.00 H new HETATM 0 H1L RCY A 176 71.305 -2.495 5.380 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.952 -4.939 0.371 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.129 0.339 -1.118 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.386 -2.269 0.462 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.771 -2.690 -0.443 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.051 3.085 -0.293 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.994 -4.126 -0.312 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.986 0.143 1.225 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.269 -2.700 0.181 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.919 -2.916 -0.065 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.983 -1.881 0.280 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.540 -4.286 0.144 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.799 -0.404 0.634 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.596 0.214 -1.689 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.771 1.853 0.016 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.904 1.661 1.022 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.560 0.474 -0.593 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.221 2.200 0.455 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.544 2.377 2.324 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.576 2.022 2.679 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.305 2.169 3.076 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.033 1.980 1.148 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.425 1.726 -0.505 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.469 -0.796 -2.078 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.459 0.933 -2.497 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.043 -0.106 2.285 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.106 -4.223 -1.392 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.940 -0.698 -1.397 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.426 0.639 -0.341 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.494 3.451 2.147 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.144 3.279 0.318 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.599 0.320 -1.275 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.942 -0.394 1.308 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.658 -4.861 0.144 1.00 1.00 H new HETATM 0 H1C RCY A 187 76.000 0.979 -1.991 1.00 1.00 H new