USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 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 21 HIS HD1 : A 21 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HD1 : A 100 HIS ND1 : A 341 ZNZN :(H bumps) USER MOD NoAdj-H: A 117 HIS HD1 : A 117 HIS ND1 : A 391 ZNZN :(H bumps) USER MOD NoAdj-H: A 133 HIS HE2 : A 133 HIS NE2 : A 441 ZNZN :(H bumps) USER MOD Set 1.1: A 68 GLN : amide:sc= -1.92 K(o=-6.8,f=-12!) USER MOD Set 1.2: A 69 HIS :FLIP no HD1:sc= -2.42 F(o=-7.4!,f=-6.8) USER MOD Set 1.3: A 71 GLN :FLIP amide:sc= -2.48 F(o=-7.6!,f=-6.8) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.495 K(o=1.5,f=-0.67!) USER MOD Set 2.2: A 79 THR OG1 : rot 100:sc= 2.02 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00224 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.556 USER MOD Single : A 26 CYS SG : rot 26:sc= 0.19 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 1.11 (180deg=0.782) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 45 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 136:sc= -0.818 (180deg=-2.4!) USER MOD Single : A 60 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0.211 (180deg=0.195) USER MOD Single : A 72 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.16) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -55:sc= 0.216 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.337 (180deg=-0.516) USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= 0.159 (180deg=-0.0409) USER MOD Single : A 98 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.86) USER MOD Single : A 99 TYR OH : rot -8:sc= 0.00734 USER MOD Single : A 103 SER OG : rot 175:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0151) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0542 X(o=-0.054,f=-0.38) USER MOD Single : A 126 THR OG1 : rot 49:sc= 0.115 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 163:sc= -0.142 (180deg=-0.737) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 45:sc= 0.518 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.406 22.680 -29.665 1.00 0.00 N ATOM 2 CA GLY A 1 -12.428 21.667 -29.854 1.00 0.00 C ATOM 3 C GLY A 1 -11.932 20.274 -29.520 1.00 0.00 C ATOM 4 O GLY A 1 -11.619 19.489 -30.414 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.794 23.614 -29.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.096 22.680 -28.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.594 22.473 -30.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.289 21.903 -29.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.770 21.689 -30.889 1.00 0.00 H new ATOM 8 N SER A 2 -11.860 19.967 -28.228 1.00 0.00 N ATOM 9 CA SER A 2 -11.393 18.661 -27.778 1.00 0.00 C ATOM 10 C SER A 2 -12.525 17.877 -27.120 1.00 0.00 C ATOM 11 O SER A 2 -13.638 18.381 -26.970 1.00 0.00 O ATOM 12 CB SER A 2 -10.231 18.822 -26.797 1.00 0.00 C ATOM 13 OG SER A 2 -9.162 19.541 -27.386 1.00 0.00 O ATOM 0 H SER A 2 -12.119 20.605 -27.475 1.00 0.00 H new ATOM 0 HA SER A 2 -11.048 18.105 -28.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.575 19.343 -25.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.881 17.840 -26.479 1.00 0.00 H new ATOM 0 HG SER A 2 -8.433 19.632 -26.738 1.00 0.00 H new ATOM 19 N SER A 3 -12.231 16.641 -26.730 1.00 0.00 N ATOM 20 CA SER A 3 -13.224 15.785 -26.091 1.00 0.00 C ATOM 21 C SER A 3 -12.702 15.245 -24.763 1.00 0.00 C ATOM 22 O SER A 3 -11.498 15.067 -24.583 1.00 0.00 O ATOM 23 CB SER A 3 -13.597 14.624 -27.015 1.00 0.00 C ATOM 24 OG SER A 3 -14.423 13.686 -26.348 1.00 0.00 O ATOM 0 H SER A 3 -11.314 16.210 -26.845 1.00 0.00 H new ATOM 0 HA SER A 3 -14.113 16.385 -25.895 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.114 15.007 -27.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.691 14.130 -27.367 1.00 0.00 H new ATOM 0 HG SER A 3 -14.649 12.955 -26.961 1.00 0.00 H new ATOM 30 N GLY A 4 -13.618 14.986 -23.835 1.00 0.00 N ATOM 31 CA GLY A 4 -13.232 14.469 -22.535 1.00 0.00 C ATOM 32 C GLY A 4 -13.847 13.114 -22.244 1.00 0.00 C ATOM 33 O GLY A 4 -15.048 12.918 -22.426 1.00 0.00 O ATOM 0 H GLY A 4 -14.621 15.125 -23.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.146 14.390 -22.487 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.534 15.175 -21.762 1.00 0.00 H new ATOM 37 N SER A 5 -13.021 12.176 -21.793 1.00 0.00 N ATOM 38 CA SER A 5 -13.489 10.831 -21.481 1.00 0.00 C ATOM 39 C SER A 5 -12.902 10.343 -20.160 1.00 0.00 C ATOM 40 O SER A 5 -11.755 10.644 -19.830 1.00 0.00 O ATOM 41 CB SER A 5 -13.114 9.864 -22.606 1.00 0.00 C ATOM 42 OG SER A 5 -11.744 9.511 -22.539 1.00 0.00 O ATOM 0 H SER A 5 -12.024 12.323 -21.635 1.00 0.00 H new ATOM 0 HA SER A 5 -14.574 10.864 -21.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.728 8.966 -22.538 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.328 10.323 -23.571 1.00 0.00 H new ATOM 0 HG SER A 5 -11.530 8.891 -23.267 1.00 0.00 H new ATOM 48 N SER A 6 -13.698 9.590 -19.408 1.00 0.00 N ATOM 49 CA SER A 6 -13.259 9.063 -18.121 1.00 0.00 C ATOM 50 C SER A 6 -14.283 8.081 -17.559 1.00 0.00 C ATOM 51 O SER A 6 -15.458 8.115 -17.923 1.00 0.00 O ATOM 52 CB SER A 6 -13.034 10.206 -17.129 1.00 0.00 C ATOM 53 OG SER A 6 -12.115 9.829 -16.118 1.00 0.00 O ATOM 0 H SER A 6 -14.650 9.331 -19.667 1.00 0.00 H new ATOM 0 HA SER A 6 -12.319 8.533 -18.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.659 11.082 -17.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.983 10.490 -16.675 1.00 0.00 H new ATOM 0 HG SER A 6 -11.986 10.577 -15.497 1.00 0.00 H new ATOM 59 N GLY A 7 -13.826 7.205 -16.669 1.00 0.00 N ATOM 60 CA GLY A 7 -14.714 6.224 -16.071 1.00 0.00 C ATOM 61 C GLY A 7 -14.636 4.876 -16.759 1.00 0.00 C ATOM 62 O GLY A 7 -13.563 4.448 -17.183 1.00 0.00 O ATOM 0 H GLY A 7 -12.858 7.157 -16.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.462 6.106 -15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.739 6.592 -16.115 1.00 0.00 H new ATOM 66 N GLY A 8 -15.777 4.202 -16.868 1.00 0.00 N ATOM 67 CA GLY A 8 -15.812 2.901 -17.509 1.00 0.00 C ATOM 68 C GLY A 8 -16.145 1.786 -16.537 1.00 0.00 C ATOM 69 O GLY A 8 -16.398 2.034 -15.358 1.00 0.00 O ATOM 0 H GLY A 8 -16.678 4.534 -16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.551 2.914 -18.310 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.845 2.700 -17.970 1.00 0.00 H new ATOM 73 N VAL A 9 -16.147 0.552 -17.033 1.00 0.00 N ATOM 74 CA VAL A 9 -16.453 -0.606 -16.201 1.00 0.00 C ATOM 75 C VAL A 9 -15.227 -1.055 -15.413 1.00 0.00 C ATOM 76 O VAL A 9 -14.159 -1.279 -15.982 1.00 0.00 O ATOM 77 CB VAL A 9 -16.966 -1.785 -17.047 1.00 0.00 C ATOM 78 CG1 VAL A 9 -18.332 -1.467 -17.635 1.00 0.00 C ATOM 79 CG2 VAL A 9 -15.970 -2.126 -18.146 1.00 0.00 C ATOM 0 H VAL A 9 -15.940 0.329 -18.007 1.00 0.00 H new ATOM 0 HA VAL A 9 -17.236 -0.300 -15.507 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.070 -2.655 -16.399 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -18.678 -2.312 -18.230 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -19.040 -1.277 -16.828 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.258 -0.583 -18.269 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.349 -2.962 -18.734 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.832 -1.260 -18.793 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.015 -2.401 -17.699 1.00 0.00 H new ATOM 89 N ARG A 10 -15.390 -1.185 -14.100 1.00 0.00 N ATOM 90 CA ARG A 10 -14.296 -1.607 -13.234 1.00 0.00 C ATOM 91 C ARG A 10 -13.811 -3.004 -13.611 1.00 0.00 C ATOM 92 O ARG A 10 -14.534 -3.773 -14.243 1.00 0.00 O ATOM 93 CB ARG A 10 -14.741 -1.589 -11.770 1.00 0.00 C ATOM 94 CG ARG A 10 -15.990 -2.412 -11.503 1.00 0.00 C ATOM 95 CD ARG A 10 -15.646 -3.855 -11.170 1.00 0.00 C ATOM 96 NE ARG A 10 -16.744 -4.537 -10.490 1.00 0.00 N ATOM 97 CZ ARG A 10 -17.855 -4.931 -11.102 1.00 0.00 C ATOM 98 NH1 ARG A 10 -18.014 -4.712 -12.400 1.00 0.00 N ATOM 99 NH2 ARG A 10 -18.810 -5.546 -10.416 1.00 0.00 N ATOM 0 H ARG A 10 -16.268 -1.004 -13.614 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.471 -0.907 -13.366 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.929 -1.965 -11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.924 -0.558 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.548 -1.970 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.639 -2.384 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.400 -4.390 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.758 -3.879 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.653 -4.721 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.282 -4.240 -12.931 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.868 -5.016 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.691 -5.717 -9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.663 -5.848 -10.887 1.00 0.00 H new ATOM 113 N ASN A 11 -12.582 -3.324 -13.220 1.00 0.00 N ATOM 114 CA ASN A 11 -11.999 -4.627 -13.518 1.00 0.00 C ATOM 115 C ASN A 11 -11.814 -5.445 -12.244 1.00 0.00 C ATOM 116 O ASN A 11 -12.390 -6.523 -12.095 1.00 0.00 O ATOM 117 CB ASN A 11 -10.655 -4.457 -14.229 1.00 0.00 C ATOM 118 CG ASN A 11 -10.811 -3.935 -15.644 1.00 0.00 C ATOM 119 OD1 ASN A 11 -11.009 -2.738 -15.857 1.00 0.00 O ATOM 120 ND2 ASN A 11 -10.723 -4.832 -16.619 1.00 0.00 N ATOM 0 H ASN A 11 -11.970 -2.699 -12.696 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.685 -5.162 -14.175 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.030 -3.770 -13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.136 -5.415 -14.253 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.820 -4.540 -17.591 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.558 -5.813 -16.396 1.00 0.00 H new ATOM 127 N LEU A 12 -11.006 -4.924 -11.326 1.00 0.00 N ATOM 128 CA LEU A 12 -10.745 -5.605 -10.063 1.00 0.00 C ATOM 129 C LEU A 12 -11.709 -5.133 -8.980 1.00 0.00 C ATOM 130 O LEU A 12 -11.762 -3.947 -8.656 1.00 0.00 O ATOM 131 CB LEU A 12 -9.301 -5.361 -9.618 1.00 0.00 C ATOM 132 CG LEU A 12 -8.792 -6.243 -8.478 1.00 0.00 C ATOM 133 CD1 LEU A 12 -7.272 -6.296 -8.482 1.00 0.00 C ATOM 134 CD2 LEU A 12 -9.305 -5.733 -7.139 1.00 0.00 C ATOM 0 H LEU A 12 -10.521 -4.033 -11.433 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.896 -6.673 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.648 -5.502 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.207 -4.319 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.171 -7.254 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.928 -6.928 -7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.925 -6.708 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.873 -5.290 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.933 -6.373 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.955 -4.713 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.395 -5.747 -7.138 1.00 0.00 H new ATOM 146 N ALA A 13 -12.469 -6.070 -8.421 1.00 0.00 N ATOM 147 CA ALA A 13 -13.428 -5.750 -7.371 1.00 0.00 C ATOM 148 C ALA A 13 -13.891 -7.011 -6.649 1.00 0.00 C ATOM 149 O ALA A 13 -13.641 -8.125 -7.105 1.00 0.00 O ATOM 150 CB ALA A 13 -14.620 -5.006 -7.955 1.00 0.00 C ATOM 0 H ALA A 13 -12.439 -7.057 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.933 -5.107 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.329 -4.773 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.279 -4.081 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.107 -5.630 -8.704 1.00 0.00 H new ATOM 156 N GLN A 14 -14.566 -6.825 -5.519 1.00 0.00 N ATOM 157 CA GLN A 14 -15.063 -7.948 -4.733 1.00 0.00 C ATOM 158 C GLN A 14 -13.944 -8.942 -4.437 1.00 0.00 C ATOM 159 O GLN A 14 -14.146 -10.154 -4.493 1.00 0.00 O ATOM 160 CB GLN A 14 -16.203 -8.651 -5.472 1.00 0.00 C ATOM 161 CG GLN A 14 -17.470 -7.817 -5.569 1.00 0.00 C ATOM 162 CD GLN A 14 -18.500 -8.427 -6.498 1.00 0.00 C ATOM 163 OE1 GLN A 14 -18.505 -8.159 -7.700 1.00 0.00 O ATOM 164 NE2 GLN A 14 -19.381 -9.254 -5.946 1.00 0.00 N ATOM 0 H GLN A 14 -14.781 -5.908 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.439 -7.559 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.869 -8.908 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.432 -9.587 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.904 -7.705 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.216 -6.817 -5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.341 -9.448 -4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -20.098 -9.695 -6.523 1.00 0.00 H new ATOM 173 N GLY A 15 -12.763 -8.419 -4.122 1.00 0.00 N ATOM 174 CA GLY A 15 -11.629 -9.275 -3.822 1.00 0.00 C ATOM 175 C GLY A 15 -11.072 -9.034 -2.433 1.00 0.00 C ATOM 176 O GLY A 15 -9.905 -8.682 -2.261 1.00 0.00 O ATOM 0 H GLY A 15 -12.571 -7.419 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.931 -10.318 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.844 -9.105 -4.559 1.00 0.00 H new ATOM 180 N PRO A 16 -11.919 -9.224 -1.411 1.00 0.00 N ATOM 181 CA PRO A 16 -11.528 -9.029 -0.012 1.00 0.00 C ATOM 182 C PRO A 16 -10.552 -10.097 0.471 1.00 0.00 C ATOM 183 O PRO A 16 -9.893 -9.931 1.498 1.00 0.00 O ATOM 184 CB PRO A 16 -12.853 -9.135 0.746 1.00 0.00 C ATOM 185 CG PRO A 16 -13.724 -9.969 -0.129 1.00 0.00 C ATOM 186 CD PRO A 16 -13.325 -9.643 -1.542 1.00 0.00 C ATOM 0 HA PRO A 16 -11.011 -8.081 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.714 -9.598 1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.290 -8.152 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.586 -11.030 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.777 -9.745 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.427 -10.507 -2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.943 -8.849 -1.961 1.00 0.00 H new ATOM 194 N ARG A 17 -10.463 -11.192 -0.276 1.00 0.00 N ATOM 195 CA ARG A 17 -9.567 -12.287 0.076 1.00 0.00 C ATOM 196 C ARG A 17 -8.134 -11.973 -0.342 1.00 0.00 C ATOM 197 O ARG A 17 -7.435 -12.825 -0.889 1.00 0.00 O ATOM 198 CB ARG A 17 -10.030 -13.586 -0.586 1.00 0.00 C ATOM 199 CG ARG A 17 -11.462 -13.968 -0.245 1.00 0.00 C ATOM 200 CD ARG A 17 -12.451 -13.345 -1.218 1.00 0.00 C ATOM 201 NE ARG A 17 -13.765 -13.978 -1.143 1.00 0.00 N ATOM 202 CZ ARG A 17 -14.074 -15.107 -1.770 1.00 0.00 C ATOM 203 NH1 ARG A 17 -13.168 -15.725 -2.515 1.00 0.00 N ATOM 204 NH2 ARG A 17 -15.292 -15.621 -1.652 1.00 0.00 N ATOM 0 H ARG A 17 -11.001 -11.345 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.592 -12.410 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.938 -13.486 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.365 -14.395 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.565 -15.053 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.695 -13.644 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.549 -12.281 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.064 -13.432 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.485 -13.528 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.231 -15.333 -2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.408 -16.592 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.992 -15.149 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.528 -16.488 -2.134 1.00 0.00 H new ATOM 218 N GLY A 18 -7.702 -10.743 -0.080 1.00 0.00 N ATOM 219 CA GLY A 18 -6.355 -10.338 -0.436 1.00 0.00 C ATOM 220 C GLY A 18 -6.295 -9.643 -1.782 1.00 0.00 C ATOM 221 O GLY A 18 -6.565 -10.253 -2.817 1.00 0.00 O ATOM 0 H GLY A 18 -8.261 -10.020 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.965 -9.670 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.708 -11.215 -0.454 1.00 0.00 H new ATOM 225 N CYS A 19 -5.942 -8.362 -1.769 1.00 0.00 N ATOM 226 CA CYS A 19 -5.850 -7.581 -2.997 1.00 0.00 C ATOM 227 C CYS A 19 -4.405 -7.498 -3.481 1.00 0.00 C ATOM 228 O CYS A 19 -3.470 -7.739 -2.718 1.00 0.00 O ATOM 229 CB CYS A 19 -6.407 -6.174 -2.774 1.00 0.00 C ATOM 230 SG CYS A 19 -5.694 -5.311 -1.336 1.00 0.00 S ATOM 0 H CYS A 19 -5.715 -7.842 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.443 -8.082 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.227 -5.577 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -7.488 -6.239 -2.646 1.00 0.00 H new ATOM 235 N GLU A 20 -4.232 -7.155 -4.754 1.00 0.00 N ATOM 236 CA GLU A 20 -2.902 -7.041 -5.339 1.00 0.00 C ATOM 237 C GLU A 20 -1.962 -6.278 -4.410 1.00 0.00 C ATOM 238 O GLU A 20 -0.744 -6.450 -4.463 1.00 0.00 O ATOM 239 CB GLU A 20 -2.976 -6.338 -6.696 1.00 0.00 C ATOM 240 CG GLU A 20 -3.902 -7.024 -7.687 1.00 0.00 C ATOM 241 CD GLU A 20 -3.513 -6.760 -9.128 1.00 0.00 C ATOM 242 OE1 GLU A 20 -3.837 -5.668 -9.640 1.00 0.00 O ATOM 243 OE2 GLU A 20 -2.883 -7.645 -9.744 1.00 0.00 O ATOM 0 H GLU A 20 -4.996 -6.952 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.508 -8.048 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.313 -5.312 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.975 -6.285 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.893 -8.098 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.923 -6.681 -7.522 1.00 0.00 H new ATOM 250 N HIS A 21 -2.537 -5.435 -3.558 1.00 0.00 N ATOM 251 CA HIS A 21 -1.752 -4.645 -2.617 1.00 0.00 C ATOM 252 C HIS A 21 -1.146 -5.534 -1.535 1.00 0.00 C ATOM 253 O HIS A 21 0.075 -5.624 -1.402 1.00 0.00 O ATOM 254 CB HIS A 21 -2.622 -3.563 -1.976 1.00 0.00 C ATOM 255 CG HIS A 21 -3.335 -2.701 -2.972 1.00 0.00 C ATOM 256 ND1 HIS A 21 -4.707 -2.582 -3.018 1.00 0.00 N ATOM 257 CD2 HIS A 21 -2.856 -1.911 -3.962 1.00 0.00 C ATOM 258 CE1 HIS A 21 -5.043 -1.758 -3.995 1.00 0.00 C ATOM 259 NE2 HIS A 21 -3.938 -1.336 -4.582 1.00 0.00 N ATOM 0 H HIS A 21 -3.544 -5.282 -3.500 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.941 -4.169 -3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.357 -4.037 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.997 -2.933 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.817 -1.761 -4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.050 -1.478 -4.267 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.895 -0.688 -5.369 1.00 0.00 H new ATOM 267 N TYR A 22 -2.007 -6.188 -0.763 1.00 0.00 N ATOM 268 CA TYR A 22 -1.557 -7.068 0.309 1.00 0.00 C ATOM 269 C TYR A 22 -2.411 -8.330 0.373 1.00 0.00 C ATOM 270 O TYR A 22 -3.555 -8.343 -0.082 1.00 0.00 O ATOM 271 CB TYR A 22 -1.608 -6.336 1.652 1.00 0.00 C ATOM 272 CG TYR A 22 -1.167 -4.892 1.572 1.00 0.00 C ATOM 273 CD1 TYR A 22 0.167 -4.542 1.740 1.00 0.00 C ATOM 274 CD2 TYR A 22 -2.085 -3.878 1.327 1.00 0.00 C ATOM 275 CE1 TYR A 22 0.574 -3.224 1.668 1.00 0.00 C ATOM 276 CE2 TYR A 22 -1.687 -2.557 1.252 1.00 0.00 C ATOM 277 CZ TYR A 22 -0.357 -2.235 1.424 1.00 0.00 C ATOM 278 OH TYR A 22 0.045 -0.921 1.350 1.00 0.00 O ATOM 0 H TYR A 22 -3.020 -6.125 -0.860 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.528 -7.358 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.626 -6.375 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.975 -6.861 2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.898 -5.314 1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.127 -4.127 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.615 -2.969 1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.413 -1.781 1.060 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.732 -0.351 1.172 1.00 0.00 H new ATOM 288 N ASP A 23 -1.847 -9.390 0.941 1.00 0.00 N ATOM 289 CA ASP A 23 -2.555 -10.658 1.067 1.00 0.00 C ATOM 290 C ASP A 23 -3.086 -10.846 2.485 1.00 0.00 C ATOM 291 O ASP A 23 -2.380 -11.346 3.362 1.00 0.00 O ATOM 292 CB ASP A 23 -1.633 -11.821 0.697 1.00 0.00 C ATOM 293 CG ASP A 23 -1.531 -12.023 -0.802 1.00 0.00 C ATOM 294 OD1 ASP A 23 -0.798 -11.252 -1.457 1.00 0.00 O ATOM 295 OD2 ASP A 23 -2.182 -12.954 -1.321 1.00 0.00 O ATOM 0 H ASP A 23 -0.901 -9.396 1.322 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.401 -10.642 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.639 -11.637 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.003 -12.736 1.160 1.00 0.00 H new ATOM 300 N ARG A 24 -4.333 -10.441 2.703 1.00 0.00 N ATOM 301 CA ARG A 24 -4.957 -10.563 4.015 1.00 0.00 C ATOM 302 C ARG A 24 -6.372 -11.123 3.894 1.00 0.00 C ATOM 303 O ARG A 24 -6.979 -11.075 2.825 1.00 0.00 O ATOM 304 CB ARG A 24 -4.994 -9.202 4.714 1.00 0.00 C ATOM 305 CG ARG A 24 -5.146 -8.030 3.758 1.00 0.00 C ATOM 306 CD ARG A 24 -5.783 -6.832 4.442 1.00 0.00 C ATOM 307 NE ARG A 24 -4.935 -6.291 5.501 1.00 0.00 N ATOM 308 CZ ARG A 24 -5.002 -5.035 5.927 1.00 0.00 C ATOM 309 NH1 ARG A 24 -5.874 -4.194 5.387 1.00 0.00 N ATOM 310 NH2 ARG A 24 -4.197 -4.617 6.896 1.00 0.00 N ATOM 0 H ARG A 24 -4.931 -10.026 1.988 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.361 -11.254 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.821 -9.190 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.077 -9.074 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.168 -7.749 3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.756 -8.331 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.980 -6.055 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.746 -7.124 4.862 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.254 -6.912 5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.495 -4.512 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.924 -3.230 5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.526 -5.261 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.250 -3.652 7.222 1.00 0.00 H new ATOM 324 N ALA A 25 -6.889 -11.653 4.998 1.00 0.00 N ATOM 325 CA ALA A 25 -8.231 -12.220 5.016 1.00 0.00 C ATOM 326 C ALA A 25 -9.126 -11.482 6.005 1.00 0.00 C ATOM 327 O ALA A 25 -10.009 -12.078 6.623 1.00 0.00 O ATOM 328 CB ALA A 25 -8.173 -13.702 5.358 1.00 0.00 C ATOM 0 H ALA A 25 -6.398 -11.701 5.891 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.661 -12.104 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.183 -14.113 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.576 -14.225 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.719 -13.831 6.340 1.00 0.00 H new ATOM 334 N CYS A 26 -8.892 -10.182 6.151 1.00 0.00 N ATOM 335 CA CYS A 26 -9.677 -9.362 7.067 1.00 0.00 C ATOM 336 C CYS A 26 -9.673 -7.901 6.628 1.00 0.00 C ATOM 337 O CYS A 26 -8.627 -7.345 6.292 1.00 0.00 O ATOM 338 CB CYS A 26 -9.128 -9.481 8.489 1.00 0.00 C ATOM 339 SG CYS A 26 -7.444 -8.851 8.686 1.00 0.00 S ATOM 0 H CYS A 26 -8.165 -9.674 5.647 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.705 -9.725 7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.788 -8.941 9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.150 -10.529 8.789 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.207 -7.954 7.775 1.00 0.00 H new ATOM 345 N LEU A 27 -10.850 -7.285 6.631 1.00 0.00 N ATOM 346 CA LEU A 27 -10.984 -5.889 6.232 1.00 0.00 C ATOM 347 C LEU A 27 -10.671 -4.956 7.398 1.00 0.00 C ATOM 348 O LEU A 27 -11.063 -5.215 8.536 1.00 0.00 O ATOM 349 CB LEU A 27 -12.398 -5.619 5.714 1.00 0.00 C ATOM 350 CG LEU A 27 -12.603 -5.779 4.207 1.00 0.00 C ATOM 351 CD1 LEU A 27 -12.051 -7.115 3.733 1.00 0.00 C ATOM 352 CD2 LEU A 27 -14.077 -5.654 3.853 1.00 0.00 C ATOM 0 H LEU A 27 -11.725 -7.731 6.905 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.268 -5.695 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.086 -6.291 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.678 -4.603 5.993 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.059 -4.983 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.205 -7.212 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.985 -7.167 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.567 -7.925 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.204 -5.770 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.643 -6.429 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.442 -4.673 4.157 1.00 0.00 H new ATOM 364 N LEU A 28 -9.963 -3.871 7.107 1.00 0.00 N ATOM 365 CA LEU A 28 -9.599 -2.897 8.130 1.00 0.00 C ATOM 366 C LEU A 28 -10.669 -1.819 8.263 1.00 0.00 C ATOM 367 O LEU A 28 -11.012 -1.146 7.290 1.00 0.00 O ATOM 368 CB LEU A 28 -8.251 -2.256 7.795 1.00 0.00 C ATOM 369 CG LEU A 28 -8.269 -1.191 6.698 1.00 0.00 C ATOM 370 CD1 LEU A 28 -8.749 0.141 7.255 1.00 0.00 C ATOM 371 CD2 LEU A 28 -6.889 -1.044 6.075 1.00 0.00 C ATOM 0 H LEU A 28 -9.629 -3.643 6.170 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.519 -3.421 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.849 -1.807 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.560 -3.045 7.497 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.965 -1.509 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.755 0.887 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.757 0.027 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.079 0.465 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.921 -0.282 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.173 -0.749 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.583 -1.995 5.639 1.00 0.00 H new ATOM 383 N LYS A 29 -11.194 -1.659 9.473 1.00 0.00 N ATOM 384 CA LYS A 29 -12.224 -0.661 9.735 1.00 0.00 C ATOM 385 C LYS A 29 -11.726 0.739 9.387 1.00 0.00 C ATOM 386 O LYS A 29 -10.544 1.044 9.546 1.00 0.00 O ATOM 387 CB LYS A 29 -12.650 -0.711 11.204 1.00 0.00 C ATOM 388 CG LYS A 29 -13.912 0.081 11.499 1.00 0.00 C ATOM 389 CD LYS A 29 -15.157 -0.777 11.345 1.00 0.00 C ATOM 390 CE LYS A 29 -16.399 0.076 11.140 1.00 0.00 C ATOM 391 NZ LYS A 29 -16.984 0.525 12.434 1.00 0.00 N ATOM 0 H LYS A 29 -10.923 -2.208 10.288 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.084 -0.889 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.808 -1.750 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.838 -0.328 11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.865 0.477 12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.972 0.936 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.033 -1.451 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.284 -1.399 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.146 0.946 10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.143 -0.494 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.582 1.361 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.560 -0.240 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.219 0.768 13.095 1.00 0.00 H new ATOM 405 N ALA A 30 -12.635 1.584 8.913 1.00 0.00 N ATOM 406 CA ALA A 30 -12.288 2.952 8.546 1.00 0.00 C ATOM 407 C ALA A 30 -12.916 3.954 9.509 1.00 0.00 C ATOM 408 O ALA A 30 -14.100 4.278 9.421 1.00 0.00 O ATOM 409 CB ALA A 30 -12.727 3.242 7.119 1.00 0.00 C ATOM 0 H ALA A 30 -13.617 1.346 8.774 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.205 3.056 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.462 4.267 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.228 2.553 6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.806 3.114 7.037 1.00 0.00 H new ATOM 415 N PRO A 31 -12.105 4.458 10.452 1.00 0.00 N ATOM 416 CA PRO A 31 -12.560 5.431 11.449 1.00 0.00 C ATOM 417 C PRO A 31 -12.855 6.795 10.836 1.00 0.00 C ATOM 418 O PRO A 31 -13.180 7.749 11.544 1.00 0.00 O ATOM 419 CB PRO A 31 -11.378 5.524 12.418 1.00 0.00 C ATOM 420 CG PRO A 31 -10.191 5.136 11.606 1.00 0.00 C ATOM 421 CD PRO A 31 -10.682 4.116 10.616 1.00 0.00 C ATOM 0 HA PRO A 31 -13.493 5.125 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.272 6.533 12.817 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.511 4.856 13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.767 6.001 11.097 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.405 4.721 12.237 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.142 4.180 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.553 3.100 10.989 1.00 0.00 H new ATOM 429 N CYS A 32 -12.742 6.882 9.515 1.00 0.00 N ATOM 430 CA CYS A 32 -12.996 8.129 8.805 1.00 0.00 C ATOM 431 C CYS A 32 -14.427 8.172 8.277 1.00 0.00 C ATOM 432 O CYS A 32 -15.105 9.196 8.370 1.00 0.00 O ATOM 433 CB CYS A 32 -12.009 8.293 7.648 1.00 0.00 C ATOM 434 SG CYS A 32 -11.772 6.785 6.653 1.00 0.00 S ATOM 0 H CYS A 32 -12.476 6.102 8.914 1.00 0.00 H new ATOM 0 HA CYS A 32 -12.861 8.951 9.507 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.359 9.094 6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.045 8.606 8.049 1.00 0.00 H new ATOM 439 N CYS A 33 -14.881 7.054 7.722 1.00 0.00 N ATOM 440 CA CYS A 33 -16.231 6.962 7.178 1.00 0.00 C ATOM 441 C CYS A 33 -16.985 5.786 7.792 1.00 0.00 C ATOM 442 O CYS A 33 -18.114 5.488 7.401 1.00 0.00 O ATOM 443 CB CYS A 33 -16.181 6.812 5.656 1.00 0.00 C ATOM 444 SG CYS A 33 -14.947 5.607 5.068 1.00 0.00 S ATOM 0 H CYS A 33 -14.333 6.198 7.637 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.761 7.881 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -17.166 6.511 5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.964 7.784 5.213 1.00 0.00 H new ATOM 449 N ASP A 34 -16.354 5.123 8.754 1.00 0.00 N ATOM 450 CA ASP A 34 -16.965 3.980 9.423 1.00 0.00 C ATOM 451 C ASP A 34 -17.229 2.849 8.435 1.00 0.00 C ATOM 452 O ASP A 34 -18.137 2.040 8.627 1.00 0.00 O ATOM 453 CB ASP A 34 -18.272 4.398 10.099 1.00 0.00 C ATOM 454 CG ASP A 34 -18.993 3.227 10.739 1.00 0.00 C ATOM 455 OD1 ASP A 34 -18.586 2.812 11.844 1.00 0.00 O ATOM 456 OD2 ASP A 34 -19.964 2.725 10.134 1.00 0.00 O ATOM 0 H ASP A 34 -15.419 5.357 9.089 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.270 3.620 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.060 5.150 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.926 4.865 9.362 1.00 0.00 H new ATOM 461 N LYS A 35 -16.429 2.797 7.375 1.00 0.00 N ATOM 462 CA LYS A 35 -16.574 1.765 6.355 1.00 0.00 C ATOM 463 C LYS A 35 -15.461 0.729 6.467 1.00 0.00 C ATOM 464 O LYS A 35 -14.518 0.897 7.243 1.00 0.00 O ATOM 465 CB LYS A 35 -16.563 2.393 4.960 1.00 0.00 C ATOM 466 CG LYS A 35 -17.865 3.084 4.592 1.00 0.00 C ATOM 467 CD LYS A 35 -17.965 3.326 3.096 1.00 0.00 C ATOM 468 CE LYS A 35 -19.376 3.719 2.687 1.00 0.00 C ATOM 469 NZ LYS A 35 -19.747 5.067 3.200 1.00 0.00 N ATOM 0 H LYS A 35 -15.673 3.459 7.200 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.529 1.264 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.749 3.116 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.353 1.617 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.707 2.474 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.935 4.035 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.269 4.113 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.668 2.425 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.455 3.710 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.083 2.980 3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.716 5.298 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.696 5.069 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.088 5.776 2.820 1.00 0.00 H new ATOM 483 N LEU A 36 -15.574 -0.341 5.688 1.00 0.00 N ATOM 484 CA LEU A 36 -14.575 -1.404 5.699 1.00 0.00 C ATOM 485 C LEU A 36 -14.117 -1.735 4.282 1.00 0.00 C ATOM 486 O LEU A 36 -14.935 -1.960 3.391 1.00 0.00 O ATOM 487 CB LEU A 36 -15.142 -2.657 6.369 1.00 0.00 C ATOM 488 CG LEU A 36 -15.110 -2.673 7.898 1.00 0.00 C ATOM 489 CD1 LEU A 36 -16.236 -3.535 8.446 1.00 0.00 C ATOM 490 CD2 LEU A 36 -13.762 -3.173 8.397 1.00 0.00 C ATOM 0 H LEU A 36 -16.347 -0.496 5.041 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.714 -1.053 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -16.175 -2.782 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.588 -3.522 6.005 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.253 -1.654 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.197 -3.535 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.195 -3.134 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.124 -4.555 8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.757 -3.178 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.590 -4.184 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.973 -2.515 8.033 1.00 0.00 H new ATOM 502 N TYR A 37 -12.804 -1.763 4.082 1.00 0.00 N ATOM 503 CA TYR A 37 -12.236 -2.066 2.774 1.00 0.00 C ATOM 504 C TYR A 37 -11.047 -3.014 2.902 1.00 0.00 C ATOM 505 O TYR A 37 -10.320 -2.987 3.896 1.00 0.00 O ATOM 506 CB TYR A 37 -11.802 -0.778 2.072 1.00 0.00 C ATOM 507 CG TYR A 37 -12.959 0.063 1.583 1.00 0.00 C ATOM 508 CD1 TYR A 37 -13.655 0.895 2.451 1.00 0.00 C ATOM 509 CD2 TYR A 37 -13.355 0.027 0.251 1.00 0.00 C ATOM 510 CE1 TYR A 37 -14.713 1.665 2.008 1.00 0.00 C ATOM 511 CE2 TYR A 37 -14.411 0.795 -0.201 1.00 0.00 C ATOM 512 CZ TYR A 37 -15.087 1.612 0.681 1.00 0.00 C ATOM 513 OH TYR A 37 -16.140 2.379 0.236 1.00 0.00 O ATOM 0 H TYR A 37 -12.113 -1.579 4.809 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.005 -2.556 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.198 -0.186 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.165 -1.032 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.364 0.941 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.828 -0.612 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.244 2.305 2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.705 0.756 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.273 2.227 -0.723 1.00 0.00 H new ATOM 523 N THR A 38 -10.854 -3.852 1.888 1.00 0.00 N ATOM 524 CA THR A 38 -9.755 -4.809 1.886 1.00 0.00 C ATOM 525 C THR A 38 -8.527 -4.237 2.586 1.00 0.00 C ATOM 526 O THR A 38 -8.114 -4.729 3.637 1.00 0.00 O ATOM 527 CB THR A 38 -9.370 -5.218 0.452 1.00 0.00 C ATOM 528 OG1 THR A 38 -10.546 -5.338 -0.356 1.00 0.00 O ATOM 529 CG2 THR A 38 -8.611 -6.537 0.451 1.00 0.00 C ATOM 0 H THR A 38 -11.445 -3.887 1.057 1.00 0.00 H new ATOM 0 HA THR A 38 -10.101 -5.690 2.427 1.00 0.00 H new ATOM 0 HB THR A 38 -8.723 -4.444 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.292 -5.597 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.350 -6.806 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.701 -6.434 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.238 -7.318 0.882 1.00 0.00 H new ATOM 537 N CYS A 39 -7.948 -3.196 1.998 1.00 0.00 N ATOM 538 CA CYS A 39 -6.767 -2.557 2.565 1.00 0.00 C ATOM 539 C CYS A 39 -6.932 -1.040 2.598 1.00 0.00 C ATOM 540 O CYS A 39 -7.994 -0.514 2.264 1.00 0.00 O ATOM 541 CB CYS A 39 -5.522 -2.928 1.757 1.00 0.00 C ATOM 542 SG CYS A 39 -5.356 -2.018 0.187 1.00 0.00 S ATOM 0 H CYS A 39 -8.278 -2.777 1.129 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.648 -2.914 3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.638 -2.743 2.367 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.545 -3.997 1.544 1.00 0.00 H new ATOM 547 N ARG A 40 -5.875 -0.344 3.003 1.00 0.00 N ATOM 548 CA ARG A 40 -5.903 1.112 3.080 1.00 0.00 C ATOM 549 C ARG A 40 -5.882 1.731 1.685 1.00 0.00 C ATOM 550 O ARG A 40 -6.530 2.749 1.437 1.00 0.00 O ATOM 551 CB ARG A 40 -4.713 1.623 3.894 1.00 0.00 C ATOM 552 CG ARG A 40 -3.406 1.639 3.118 1.00 0.00 C ATOM 553 CD ARG A 40 -3.193 2.969 2.412 1.00 0.00 C ATOM 554 NE ARG A 40 -1.803 3.155 2.002 1.00 0.00 N ATOM 555 CZ ARG A 40 -1.253 4.345 1.789 1.00 0.00 C ATOM 556 NH1 ARG A 40 -1.971 5.448 1.946 1.00 0.00 N ATOM 557 NH2 ARG A 40 0.018 4.433 1.418 1.00 0.00 N ATOM 0 H ARG A 40 -4.989 -0.764 3.283 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.828 1.407 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.930 2.632 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.593 0.997 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.576 1.450 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.407 0.833 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.839 3.022 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.487 3.783 3.075 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.223 2.326 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.948 5.384 2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.546 6.361 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.574 3.586 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.439 5.347 1.255 1.00 0.00 H new ATOM 571 N LEU A 41 -5.135 1.110 0.779 1.00 0.00 N ATOM 572 CA LEU A 41 -5.029 1.600 -0.591 1.00 0.00 C ATOM 573 C LEU A 41 -6.362 1.469 -1.320 1.00 0.00 C ATOM 574 O LEU A 41 -6.657 2.233 -2.239 1.00 0.00 O ATOM 575 CB LEU A 41 -3.944 0.831 -1.346 1.00 0.00 C ATOM 576 CG LEU A 41 -2.511 1.034 -0.852 1.00 0.00 C ATOM 577 CD1 LEU A 41 -1.577 0.017 -1.490 1.00 0.00 C ATOM 578 CD2 LEU A 41 -2.040 2.450 -1.147 1.00 0.00 C ATOM 0 H LEU A 41 -4.594 0.266 0.968 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.758 2.655 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.178 -0.232 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.989 1.117 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.496 0.885 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.562 0.177 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.902 -0.990 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.597 0.134 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.018 2.576 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.072 2.627 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.692 3.163 -0.642 1.00 0.00 H new ATOM 590 N CYS A 42 -7.165 0.496 -0.903 1.00 0.00 N ATOM 591 CA CYS A 42 -8.468 0.264 -1.515 1.00 0.00 C ATOM 592 C CYS A 42 -9.457 1.357 -1.119 1.00 0.00 C ATOM 593 O CYS A 42 -10.187 1.884 -1.959 1.00 0.00 O ATOM 594 CB CYS A 42 -9.013 -1.105 -1.102 1.00 0.00 C ATOM 595 SG CYS A 42 -8.234 -2.506 -1.968 1.00 0.00 S ATOM 0 H CYS A 42 -6.936 -0.145 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.342 0.286 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.873 -1.232 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.087 -1.128 -1.288 1.00 0.00 H new ATOM 600 N HIS A 43 -9.475 1.694 0.167 1.00 0.00 N ATOM 601 CA HIS A 43 -10.373 2.725 0.675 1.00 0.00 C ATOM 602 C HIS A 43 -10.345 3.959 -0.221 1.00 0.00 C ATOM 603 O HIS A 43 -11.359 4.331 -0.813 1.00 0.00 O ATOM 604 CB HIS A 43 -9.986 3.109 2.104 1.00 0.00 C ATOM 605 CG HIS A 43 -10.661 4.353 2.593 1.00 0.00 C ATOM 606 ND1 HIS A 43 -10.094 5.606 2.491 1.00 0.00 N ATOM 607 CD2 HIS A 43 -11.863 4.533 3.189 1.00 0.00 C ATOM 608 CE1 HIS A 43 -10.918 6.503 3.004 1.00 0.00 C ATOM 609 NE2 HIS A 43 -11.999 5.877 3.434 1.00 0.00 N ATOM 0 H HIS A 43 -8.878 1.268 0.876 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.386 2.322 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.233 2.284 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.906 3.248 2.154 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.181 5.809 2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.581 3.763 3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.738 7.566 3.062 1.00 0.00 H new ATOM 617 N ASP A 44 -9.180 4.590 -0.316 1.00 0.00 N ATOM 618 CA ASP A 44 -9.021 5.782 -1.140 1.00 0.00 C ATOM 619 C ASP A 44 -9.435 5.505 -2.582 1.00 0.00 C ATOM 620 O ASP A 44 -10.011 6.365 -3.250 1.00 0.00 O ATOM 621 CB ASP A 44 -7.571 6.267 -1.097 1.00 0.00 C ATOM 622 CG ASP A 44 -7.205 7.105 -2.307 1.00 0.00 C ATOM 623 OD1 ASP A 44 -7.182 6.552 -3.427 1.00 0.00 O ATOM 624 OD2 ASP A 44 -6.942 8.313 -2.134 1.00 0.00 O ATOM 0 H ASP A 44 -8.332 4.296 0.168 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.669 6.561 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.414 6.853 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.905 5.406 -1.040 1.00 0.00 H new ATOM 629 N THR A 45 -9.137 4.300 -3.057 1.00 0.00 N ATOM 630 CA THR A 45 -9.476 3.911 -4.420 1.00 0.00 C ATOM 631 C THR A 45 -10.983 3.963 -4.648 1.00 0.00 C ATOM 632 O THR A 45 -11.445 4.381 -5.708 1.00 0.00 O ATOM 633 CB THR A 45 -8.969 2.492 -4.741 1.00 0.00 C ATOM 634 OG1 THR A 45 -7.539 2.457 -4.679 1.00 0.00 O ATOM 635 CG2 THR A 45 -9.432 2.052 -6.122 1.00 0.00 C ATOM 0 H THR A 45 -8.661 3.576 -2.518 1.00 0.00 H new ATOM 0 HA THR A 45 -8.986 4.624 -5.083 1.00 0.00 H new ATOM 0 HB THR A 45 -9.381 1.806 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.257 2.154 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.062 1.047 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.521 2.052 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.045 2.741 -6.872 1.00 0.00 H new ATOM 643 N ASN A 46 -11.744 3.538 -3.644 1.00 0.00 N ATOM 644 CA ASN A 46 -13.199 3.537 -3.736 1.00 0.00 C ATOM 645 C ASN A 46 -13.796 4.685 -2.928 1.00 0.00 C ATOM 646 O ASN A 46 -14.954 4.630 -2.515 1.00 0.00 O ATOM 647 CB ASN A 46 -13.761 2.203 -3.240 1.00 0.00 C ATOM 648 CG ASN A 46 -13.204 1.019 -4.006 1.00 0.00 C ATOM 649 OD1 ASN A 46 -13.698 0.672 -5.079 1.00 0.00 O ATOM 650 ND2 ASN A 46 -12.169 0.394 -3.458 1.00 0.00 N ATOM 0 H ASN A 46 -11.377 3.190 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.472 3.672 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.532 2.087 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.847 2.213 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.751 -0.409 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.792 0.716 -2.567 1.00 0.00 H new ATOM 657 N GLU A 47 -12.997 5.725 -2.708 1.00 0.00 N ATOM 658 CA GLU A 47 -13.447 6.886 -1.950 1.00 0.00 C ATOM 659 C GLU A 47 -12.785 8.161 -2.464 1.00 0.00 C ATOM 660 O GLU A 47 -11.899 8.113 -3.317 1.00 0.00 O ATOM 661 CB GLU A 47 -13.139 6.702 -0.462 1.00 0.00 C ATOM 662 CG GLU A 47 -13.909 5.562 0.182 1.00 0.00 C ATOM 663 CD GLU A 47 -15.345 5.934 0.498 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.997 6.565 -0.359 1.00 0.00 O ATOM 665 OE2 GLU A 47 -15.816 5.592 1.603 1.00 0.00 O ATOM 0 H GLU A 47 -12.036 5.787 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.525 6.979 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.071 6.522 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.369 7.628 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.899 4.700 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.405 5.261 1.100 1.00 0.00 H new ATOM 672 N ASP A 48 -13.221 9.300 -1.938 1.00 0.00 N ATOM 673 CA ASP A 48 -12.672 10.589 -2.342 1.00 0.00 C ATOM 674 C ASP A 48 -11.669 11.100 -1.312 1.00 0.00 C ATOM 675 O ASP A 48 -10.874 11.997 -1.595 1.00 0.00 O ATOM 676 CB ASP A 48 -13.795 11.611 -2.530 1.00 0.00 C ATOM 677 CG ASP A 48 -14.959 11.052 -3.323 1.00 0.00 C ATOM 678 OD1 ASP A 48 -15.600 10.094 -2.842 1.00 0.00 O ATOM 679 OD2 ASP A 48 -15.229 11.571 -4.427 1.00 0.00 O ATOM 0 H ASP A 48 -13.953 9.357 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.153 10.453 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.149 11.941 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.401 12.490 -3.040 1.00 0.00 H new ATOM 684 N HIS A 49 -11.713 10.524 -0.115 1.00 0.00 N ATOM 685 CA HIS A 49 -10.809 10.921 0.959 1.00 0.00 C ATOM 686 C HIS A 49 -9.805 9.813 1.261 1.00 0.00 C ATOM 687 O HIS A 49 -10.026 8.652 0.917 1.00 0.00 O ATOM 688 CB HIS A 49 -11.601 11.266 2.220 1.00 0.00 C ATOM 689 CG HIS A 49 -12.456 10.141 2.717 1.00 0.00 C ATOM 690 ND1 HIS A 49 -13.532 9.645 2.011 1.00 0.00 N ATOM 691 CD2 HIS A 49 -12.387 9.413 3.856 1.00 0.00 C ATOM 692 CE1 HIS A 49 -14.089 8.662 2.696 1.00 0.00 C ATOM 693 NE2 HIS A 49 -13.413 8.501 3.819 1.00 0.00 N ATOM 0 H HIS A 49 -12.365 9.781 0.136 1.00 0.00 H new ATOM 0 HA HIS A 49 -10.261 11.804 0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -10.906 11.558 3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.234 12.130 2.017 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -13.848 9.984 1.102 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -11.660 9.528 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -14.951 8.088 2.390 1.00 0.00 H new ATOM 701 N GLN A 50 -8.702 10.180 1.906 1.00 0.00 N ATOM 702 CA GLN A 50 -7.664 9.216 2.253 1.00 0.00 C ATOM 703 C GLN A 50 -7.865 8.686 3.669 1.00 0.00 C ATOM 704 O GLN A 50 -8.308 9.414 4.558 1.00 0.00 O ATOM 705 CB GLN A 50 -6.281 9.857 2.127 1.00 0.00 C ATOM 706 CG GLN A 50 -5.758 9.899 0.700 1.00 0.00 C ATOM 707 CD GLN A 50 -4.524 10.768 0.556 1.00 0.00 C ATOM 708 OE1 GLN A 50 -3.420 10.363 0.920 1.00 0.00 O ATOM 709 NE2 GLN A 50 -4.706 11.971 0.023 1.00 0.00 N ATOM 0 H GLN A 50 -8.504 11.137 2.199 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.733 8.379 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.323 10.873 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.576 9.304 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.524 8.886 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.541 10.274 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.639 12.265 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.913 12.600 -0.099 1.00 0.00 H new ATOM 718 N LEU A 51 -7.538 7.415 3.871 1.00 0.00 N ATOM 719 CA LEU A 51 -7.682 6.786 5.180 1.00 0.00 C ATOM 720 C LEU A 51 -6.318 6.501 5.800 1.00 0.00 C ATOM 721 O LEU A 51 -5.324 6.340 5.092 1.00 0.00 O ATOM 722 CB LEU A 51 -8.481 5.488 5.058 1.00 0.00 C ATOM 723 CG LEU A 51 -8.210 4.430 6.128 1.00 0.00 C ATOM 724 CD1 LEU A 51 -9.458 3.601 6.388 1.00 0.00 C ATOM 725 CD2 LEU A 51 -7.051 3.536 5.712 1.00 0.00 C ATOM 0 H LEU A 51 -7.171 6.799 3.145 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.219 7.476 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.542 5.735 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.276 5.049 4.082 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.938 4.938 7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.246 2.853 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.262 4.252 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.762 3.103 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.872 2.789 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.295 3.037 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.154 4.141 5.578 1.00 0.00 H new ATOM 737 N ASP A 52 -6.279 6.438 7.127 1.00 0.00 N ATOM 738 CA ASP A 52 -5.038 6.169 7.843 1.00 0.00 C ATOM 739 C ASP A 52 -4.863 4.673 8.084 1.00 0.00 C ATOM 740 O ASP A 52 -5.821 3.970 8.408 1.00 0.00 O ATOM 741 CB ASP A 52 -5.021 6.918 9.177 1.00 0.00 C ATOM 742 CG ASP A 52 -4.729 8.396 9.007 1.00 0.00 C ATOM 743 OD1 ASP A 52 -3.537 8.761 8.934 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.693 9.187 8.947 1.00 0.00 O ATOM 0 H ASP A 52 -7.093 6.570 7.728 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.209 6.519 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.985 6.795 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.269 6.475 9.830 1.00 0.00 H new ATOM 749 N ARG A 53 -3.635 4.192 7.921 1.00 0.00 N ATOM 750 CA ARG A 53 -3.335 2.779 8.118 1.00 0.00 C ATOM 751 C ARG A 53 -2.835 2.522 9.537 1.00 0.00 C ATOM 752 O ARG A 53 -2.665 1.374 9.948 1.00 0.00 O ATOM 753 CB ARG A 53 -2.288 2.312 7.105 1.00 0.00 C ATOM 754 CG ARG A 53 -0.958 3.037 7.225 1.00 0.00 C ATOM 755 CD ARG A 53 0.201 2.148 6.804 1.00 0.00 C ATOM 756 NE ARG A 53 0.117 1.767 5.397 1.00 0.00 N ATOM 757 CZ ARG A 53 0.753 0.723 4.878 1.00 0.00 C ATOM 758 NH1 ARG A 53 1.515 -0.042 5.648 1.00 0.00 N ATOM 759 NH2 ARG A 53 0.626 0.441 3.588 1.00 0.00 N ATOM 0 H ARG A 53 -2.831 4.760 7.653 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.255 2.214 7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.122 1.242 7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.680 2.455 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.974 3.934 6.605 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.812 3.364 8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.141 2.670 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.212 1.250 7.422 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.462 2.334 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.613 0.171 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.003 -0.843 5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.039 1.026 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.115 -0.361 3.191 1.00 0.00 H new ATOM 773 N PHE A 54 -2.601 3.598 10.280 1.00 0.00 N ATOM 774 CA PHE A 54 -2.119 3.490 11.652 1.00 0.00 C ATOM 775 C PHE A 54 -3.250 3.734 12.647 1.00 0.00 C ATOM 776 O PHE A 54 -3.375 3.029 13.649 1.00 0.00 O ATOM 777 CB PHE A 54 -0.985 4.487 11.898 1.00 0.00 C ATOM 778 CG PHE A 54 0.239 4.217 11.071 1.00 0.00 C ATOM 779 CD1 PHE A 54 0.357 4.739 9.793 1.00 0.00 C ATOM 780 CD2 PHE A 54 1.273 3.442 11.572 1.00 0.00 C ATOM 781 CE1 PHE A 54 1.483 4.493 9.029 1.00 0.00 C ATOM 782 CE2 PHE A 54 2.401 3.194 10.814 1.00 0.00 C ATOM 783 CZ PHE A 54 2.506 3.718 9.540 1.00 0.00 C ATOM 0 H PHE A 54 -2.737 4.555 9.955 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.741 2.478 11.798 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.344 5.494 11.684 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.713 4.463 12.953 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.440 5.345 9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.196 3.027 12.566 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.563 4.906 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.201 2.591 11.217 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.386 3.522 8.945 1.00 0.00 H new ATOM 793 N LYS A 55 -4.073 4.738 12.363 1.00 0.00 N ATOM 794 CA LYS A 55 -5.195 5.077 13.230 1.00 0.00 C ATOM 795 C LYS A 55 -6.027 3.840 13.553 1.00 0.00 C ATOM 796 O LYS A 55 -6.101 3.413 14.705 1.00 0.00 O ATOM 797 CB LYS A 55 -6.076 6.138 12.567 1.00 0.00 C ATOM 798 CG LYS A 55 -5.634 7.563 12.856 1.00 0.00 C ATOM 799 CD LYS A 55 -6.281 8.102 14.121 1.00 0.00 C ATOM 800 CE LYS A 55 -5.706 9.456 14.507 1.00 0.00 C ATOM 801 NZ LYS A 55 -6.602 10.193 15.440 1.00 0.00 N ATOM 0 H LYS A 55 -3.984 5.331 11.538 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.794 5.477 14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.074 5.978 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.104 6.009 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.549 7.595 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.893 8.203 12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.357 8.192 13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.131 7.396 14.937 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.731 9.317 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.547 10.053 13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.175 11.111 15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.524 10.348 14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.733 9.636 16.308 1.00 0.00 H new ATOM 815 N VAL A 56 -6.650 3.268 12.528 1.00 0.00 N ATOM 816 CA VAL A 56 -7.474 2.078 12.702 1.00 0.00 C ATOM 817 C VAL A 56 -6.750 1.025 13.534 1.00 0.00 C ATOM 818 O VAL A 56 -5.560 0.774 13.340 1.00 0.00 O ATOM 819 CB VAL A 56 -7.867 1.463 11.346 1.00 0.00 C ATOM 820 CG1 VAL A 56 -6.647 1.330 10.446 1.00 0.00 C ATOM 821 CG2 VAL A 56 -8.541 0.114 11.547 1.00 0.00 C ATOM 0 H VAL A 56 -6.600 3.610 11.568 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.377 2.393 13.225 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.578 2.129 10.858 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.944 0.894 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.212 2.315 10.275 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.910 0.686 10.925 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.812 -0.305 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.855 -0.563 12.057 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.440 0.243 12.150 1.00 0.00 H new ATOM 831 N LYS A 57 -7.476 0.410 14.461 1.00 0.00 N ATOM 832 CA LYS A 57 -6.905 -0.619 15.323 1.00 0.00 C ATOM 833 C LYS A 57 -7.709 -1.912 15.233 1.00 0.00 C ATOM 834 O LYS A 57 -7.156 -3.005 15.347 1.00 0.00 O ATOM 835 CB LYS A 57 -6.863 -0.132 16.774 1.00 0.00 C ATOM 836 CG LYS A 57 -6.223 -1.123 17.729 1.00 0.00 C ATOM 837 CD LYS A 57 -7.250 -2.078 18.313 1.00 0.00 C ATOM 838 CE LYS A 57 -8.037 -1.429 19.442 1.00 0.00 C ATOM 839 NZ LYS A 57 -9.247 -0.722 18.939 1.00 0.00 N ATOM 0 H LYS A 57 -8.462 0.606 14.635 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.889 -0.819 14.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.313 0.808 16.817 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.879 0.077 17.108 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.454 -1.690 17.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.727 -0.584 18.536 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.935 -2.401 17.529 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.748 -2.971 18.685 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.335 -2.191 20.162 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.397 -0.723 19.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.057 -0.938 19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.075 0.304 18.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.456 -1.037 17.970 1.00 0.00 H new ATOM 853 N GLU A 58 -9.016 -1.778 15.028 1.00 0.00 N ATOM 854 CA GLU A 58 -9.894 -2.937 14.922 1.00 0.00 C ATOM 855 C GLU A 58 -9.788 -3.576 13.540 1.00 0.00 C ATOM 856 O GLU A 58 -9.225 -2.991 12.615 1.00 0.00 O ATOM 857 CB GLU A 58 -11.344 -2.533 15.199 1.00 0.00 C ATOM 858 CG GLU A 58 -11.684 -2.464 16.678 1.00 0.00 C ATOM 859 CD GLU A 58 -11.065 -3.597 17.473 1.00 0.00 C ATOM 860 OE1 GLU A 58 -9.885 -3.474 17.862 1.00 0.00 O ATOM 861 OE2 GLU A 58 -11.762 -4.607 17.706 1.00 0.00 O ATOM 0 H GLU A 58 -9.489 -0.880 14.932 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.579 -3.668 15.666 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.534 -1.560 14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.010 -3.247 14.714 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.340 -1.512 17.082 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.767 -2.489 16.799 1.00 0.00 H new ATOM 868 N VAL A 59 -10.332 -4.782 13.409 1.00 0.00 N ATOM 869 CA VAL A 59 -10.299 -5.501 12.141 1.00 0.00 C ATOM 870 C VAL A 59 -11.473 -6.469 12.028 1.00 0.00 C ATOM 871 O VAL A 59 -11.975 -6.970 13.033 1.00 0.00 O ATOM 872 CB VAL A 59 -8.984 -6.285 11.974 1.00 0.00 C ATOM 873 CG1 VAL A 59 -7.820 -5.333 11.746 1.00 0.00 C ATOM 874 CG2 VAL A 59 -8.732 -7.167 13.188 1.00 0.00 C ATOM 0 H VAL A 59 -10.801 -5.281 14.165 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.370 -4.753 11.351 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.073 -6.928 11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.899 -5.905 11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.000 -4.748 10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.726 -4.663 12.600 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.799 -7.714 13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.663 -6.546 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.554 -7.874 13.301 1.00 0.00 H new ATOM 884 N GLN A 60 -11.903 -6.726 10.797 1.00 0.00 N ATOM 885 CA GLN A 60 -13.018 -7.634 10.553 1.00 0.00 C ATOM 886 C GLN A 60 -12.596 -8.782 9.643 1.00 0.00 C ATOM 887 O GLN A 60 -11.876 -8.580 8.664 1.00 0.00 O ATOM 888 CB GLN A 60 -14.192 -6.877 9.928 1.00 0.00 C ATOM 889 CG GLN A 60 -15.489 -7.670 9.914 1.00 0.00 C ATOM 890 CD GLN A 60 -16.594 -6.968 9.151 1.00 0.00 C ATOM 891 OE1 GLN A 60 -17.281 -6.099 9.689 1.00 0.00 O ATOM 892 NE2 GLN A 60 -16.772 -7.342 7.889 1.00 0.00 N ATOM 0 H GLN A 60 -11.497 -6.319 9.954 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.331 -8.050 11.511 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.349 -5.949 10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.933 -6.602 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.308 -8.647 9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.815 -7.844 10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.180 -8.066 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -17.501 -6.905 7.325 1.00 0.00 H new ATOM 901 N CYS A 61 -13.047 -9.988 9.971 1.00 0.00 N ATOM 902 CA CYS A 61 -12.716 -11.169 9.184 1.00 0.00 C ATOM 903 C CYS A 61 -13.535 -11.213 7.897 1.00 0.00 C ATOM 904 O CYS A 61 -14.661 -10.717 7.849 1.00 0.00 O ATOM 905 CB CYS A 61 -12.963 -12.438 10.002 1.00 0.00 C ATOM 906 SG CYS A 61 -12.225 -13.941 9.285 1.00 0.00 S ATOM 0 H CYS A 61 -13.643 -10.173 10.778 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.660 -11.114 8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.564 -12.294 11.006 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -14.038 -12.588 10.105 1.00 0.00 H new ATOM 911 N ILE A 62 -12.962 -11.810 6.858 1.00 0.00 N ATOM 912 CA ILE A 62 -13.639 -11.920 5.572 1.00 0.00 C ATOM 913 C ILE A 62 -14.171 -13.332 5.349 1.00 0.00 C ATOM 914 O ILE A 62 -14.868 -13.596 4.371 1.00 0.00 O ATOM 915 CB ILE A 62 -12.701 -11.547 4.408 1.00 0.00 C ATOM 916 CG1 ILE A 62 -11.589 -12.588 4.268 1.00 0.00 C ATOM 917 CG2 ILE A 62 -12.113 -10.161 4.625 1.00 0.00 C ATOM 918 CD1 ILE A 62 -11.913 -13.691 3.284 1.00 0.00 C ATOM 0 H ILE A 62 -12.031 -12.225 6.881 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.474 -11.219 5.594 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.279 -11.534 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.673 -12.089 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.391 -13.030 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.453 -9.912 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.918 -9.429 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.546 -10.148 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.080 -14.392 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.811 -14.216 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -12.081 -13.260 2.297 1.00 0.00 H new ATOM 930 N ASN A 63 -13.837 -14.235 6.265 1.00 0.00 N ATOM 931 CA ASN A 63 -14.282 -15.621 6.170 1.00 0.00 C ATOM 932 C ASN A 63 -15.567 -15.836 6.964 1.00 0.00 C ATOM 933 O ASN A 63 -16.560 -16.336 6.437 1.00 0.00 O ATOM 934 CB ASN A 63 -13.191 -16.565 6.678 1.00 0.00 C ATOM 935 CG ASN A 63 -12.245 -17.002 5.577 1.00 0.00 C ATOM 936 OD1 ASN A 63 -12.560 -16.888 4.392 1.00 0.00 O ATOM 937 ND2 ASN A 63 -11.079 -17.507 5.963 1.00 0.00 N ATOM 0 H ASN A 63 -13.260 -14.032 7.081 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.483 -15.840 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.623 -16.069 7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.655 -17.444 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.403 -17.819 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.860 -17.583 6.956 1.00 0.00 H new ATOM 944 N CYS A 64 -15.540 -15.453 8.237 1.00 0.00 N ATOM 945 CA CYS A 64 -16.701 -15.602 9.105 1.00 0.00 C ATOM 946 C CYS A 64 -17.253 -14.240 9.516 1.00 0.00 C ATOM 947 O CYS A 64 -17.982 -14.126 10.500 1.00 0.00 O ATOM 948 CB CYS A 64 -16.332 -16.412 10.350 1.00 0.00 C ATOM 949 SG CYS A 64 -15.114 -15.597 11.432 1.00 0.00 S ATOM 0 H CYS A 64 -14.726 -15.037 8.690 1.00 0.00 H new ATOM 0 HA CYS A 64 -17.473 -16.134 8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -17.238 -16.609 10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -15.936 -17.378 10.038 1.00 0.00 H new ATOM 954 N GLU A 65 -16.898 -13.210 8.754 1.00 0.00 N ATOM 955 CA GLU A 65 -17.357 -11.856 9.039 1.00 0.00 C ATOM 956 C GLU A 65 -17.538 -11.647 10.540 1.00 0.00 C ATOM 957 O GLU A 65 -18.588 -11.193 10.993 1.00 0.00 O ATOM 958 CB GLU A 65 -18.674 -11.576 8.312 1.00 0.00 C ATOM 959 CG GLU A 65 -18.539 -11.544 6.799 1.00 0.00 C ATOM 960 CD GLU A 65 -19.826 -11.139 6.107 1.00 0.00 C ATOM 961 OE1 GLU A 65 -20.027 -9.926 5.889 1.00 0.00 O ATOM 962 OE2 GLU A 65 -20.632 -12.036 5.783 1.00 0.00 O ATOM 0 H GLU A 65 -16.295 -13.288 7.935 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.598 -11.160 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.401 -12.340 8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.072 -10.620 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.748 -10.847 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.234 -12.529 6.444 1.00 0.00 H new ATOM 969 N LYS A 66 -16.506 -11.984 11.306 1.00 0.00 N ATOM 970 CA LYS A 66 -16.548 -11.834 12.756 1.00 0.00 C ATOM 971 C LYS A 66 -15.739 -10.620 13.201 1.00 0.00 C ATOM 972 O LYS A 66 -14.685 -10.322 12.636 1.00 0.00 O ATOM 973 CB LYS A 66 -16.010 -13.095 13.436 1.00 0.00 C ATOM 974 CG LYS A 66 -15.817 -12.943 14.935 1.00 0.00 C ATOM 975 CD LYS A 66 -17.095 -13.253 15.696 1.00 0.00 C ATOM 976 CE LYS A 66 -16.901 -13.099 17.197 1.00 0.00 C ATOM 977 NZ LYS A 66 -17.014 -11.677 17.627 1.00 0.00 N ATOM 0 H LYS A 66 -15.630 -12.363 10.947 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.587 -11.685 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.697 -13.920 13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.057 -13.364 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.022 -13.610 15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.496 -11.926 15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.890 -12.587 15.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.416 -14.270 15.472 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.645 -13.698 17.723 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.922 -13.487 17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.995 -11.626 18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.218 -11.133 17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.909 -11.279 17.277 1.00 0.00 H new ATOM 991 N LEU A 67 -16.236 -9.923 14.217 1.00 0.00 N ATOM 992 CA LEU A 67 -15.558 -8.742 14.740 1.00 0.00 C ATOM 993 C LEU A 67 -14.422 -9.137 15.678 1.00 0.00 C ATOM 994 O LEU A 67 -14.511 -10.136 16.390 1.00 0.00 O ATOM 995 CB LEU A 67 -16.553 -7.842 15.475 1.00 0.00 C ATOM 996 CG LEU A 67 -16.110 -6.396 15.700 1.00 0.00 C ATOM 997 CD1 LEU A 67 -16.131 -5.622 14.392 1.00 0.00 C ATOM 998 CD2 LEU A 67 -16.999 -5.722 16.735 1.00 0.00 C ATOM 0 H LEU A 67 -17.106 -10.155 14.695 1.00 0.00 H new ATOM 0 HA LEU A 67 -15.135 -8.194 13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.487 -7.832 14.913 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.770 -8.290 16.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.087 -6.403 16.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.813 -4.595 14.572 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.453 -6.093 13.680 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.142 -5.623 13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.670 -4.694 16.883 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.031 -5.726 16.386 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.933 -6.263 17.679 1.00 0.00 H new ATOM 1010 N GLN A 68 -13.355 -8.343 15.674 1.00 0.00 N ATOM 1011 CA GLN A 68 -12.202 -8.609 16.526 1.00 0.00 C ATOM 1012 C GLN A 68 -11.228 -7.437 16.505 1.00 0.00 C ATOM 1013 O GLN A 68 -11.453 -6.441 15.816 1.00 0.00 O ATOM 1014 CB GLN A 68 -11.492 -9.887 16.074 1.00 0.00 C ATOM 1015 CG GLN A 68 -11.034 -9.848 14.625 1.00 0.00 C ATOM 1016 CD GLN A 68 -11.071 -11.212 13.965 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -10.048 -11.888 13.850 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -12.254 -11.625 13.525 1.00 0.00 N ATOM 0 H GLN A 68 -13.266 -7.511 15.091 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.559 -8.742 17.547 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.627 -10.059 16.715 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.164 -10.734 16.211 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.669 -9.161 14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.019 -9.454 14.579 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.076 -11.033 13.641 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.340 -12.534 13.071 1.00 0.00 H new ATOM 1027 N HIS A 69 -10.144 -7.561 17.264 1.00 0.00 N ATOM 1028 CA HIS A 69 -9.134 -6.510 17.333 1.00 0.00 C ATOM 1029 C HIS A 69 -7.912 -6.877 16.496 1.00 0.00 C ATOM 1030 O HIS A 69 -7.848 -7.959 15.913 1.00 0.00 O ATOM 1031 CB HIS A 69 -8.718 -6.267 18.784 1.00 0.00 C ATOM 1032 CG HIS A 69 -7.533 -7.075 19.211 1.00 0.00 C ATOM 1033 ND1 HIS A 69 -7.432 -8.375 19.577 1.00 0.00 N flip ATOM 1034 CD2 HIS A 69 -6.259 -6.554 19.300 1.00 0.00 C flip ATOM 1035 CE1 HIS A 69 -6.113 -8.613 19.876 1.00 0.00 C flip ATOM 1036 NE2 HIS A 69 -5.426 -7.499 19.700 1.00 0.00 N flip ATOM 0 H HIS A 69 -9.942 -8.378 17.840 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.568 -5.595 16.930 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -8.492 -5.209 18.916 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.559 -6.498 19.438 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.985 -5.533 19.078 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.704 -9.558 20.202 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.423 -7.387 19.848 1.00 0.00 H new ATOM 1044 N ALA A 70 -6.944 -5.967 16.441 1.00 0.00 N ATOM 1045 CA ALA A 70 -5.724 -6.195 15.677 1.00 0.00 C ATOM 1046 C ALA A 70 -5.070 -7.516 16.069 1.00 0.00 C ATOM 1047 O ALA A 70 -4.701 -7.717 17.226 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.752 -5.043 15.879 1.00 0.00 C ATOM 0 H ALA A 70 -6.982 -5.065 16.917 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.991 -6.250 14.622 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.845 -5.227 15.303 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.214 -4.114 15.543 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.499 -4.961 16.936 1.00 0.00 H new ATOM 1054 N GLN A 71 -4.930 -8.413 15.098 1.00 0.00 N ATOM 1055 CA GLN A 71 -4.321 -9.715 15.343 1.00 0.00 C ATOM 1056 C GLN A 71 -3.798 -10.324 14.046 1.00 0.00 C ATOM 1057 O GLN A 71 -3.837 -9.690 12.992 1.00 0.00 O ATOM 1058 CB GLN A 71 -5.333 -10.660 15.993 1.00 0.00 C ATOM 1059 CG GLN A 71 -6.608 -10.837 15.184 1.00 0.00 C ATOM 1060 CD GLN A 71 -7.821 -11.095 16.055 1.00 0.00 C ATOM 1061 OE1 GLN A 71 -8.524 -12.188 15.782 1.00 0.00 O flip ATOM 1062 NE2 GLN A 71 -8.123 -10.321 16.964 1.00 0.00 N flip ATOM 0 H GLN A 71 -5.230 -8.262 14.135 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.479 -9.573 16.021 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.866 -11.634 16.138 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.590 -10.279 16.982 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.780 -9.943 14.584 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.481 -11.668 14.490 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.554 -9.493 17.139 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.942 -10.508 17.542 1.00 0.00 H new ATOM 1071 N GLN A 72 -3.311 -11.558 14.132 1.00 0.00 N ATOM 1072 CA GLN A 72 -2.779 -12.251 12.965 1.00 0.00 C ATOM 1073 C GLN A 72 -3.744 -13.332 12.488 1.00 0.00 C ATOM 1074 O GLN A 72 -3.824 -13.626 11.295 1.00 0.00 O ATOM 1075 CB GLN A 72 -1.419 -12.872 13.290 1.00 0.00 C ATOM 1076 CG GLN A 72 -1.053 -14.040 12.388 1.00 0.00 C ATOM 1077 CD GLN A 72 0.445 -14.247 12.281 1.00 0.00 C ATOM 1078 OE1 GLN A 72 1.032 -15.023 13.035 1.00 0.00 O ATOM 1079 NE2 GLN A 72 1.073 -13.551 11.340 1.00 0.00 N ATOM 0 H GLN A 72 -3.274 -12.098 14.997 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.655 -11.521 12.165 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.649 -12.105 13.207 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.422 -13.211 14.326 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.515 -14.949 12.772 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.464 -13.869 11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.547 -12.919 10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.081 -13.649 11.221 1.00 0.00 H new ATOM 1088 N THR A 73 -4.476 -13.922 13.428 1.00 0.00 N ATOM 1089 CA THR A 73 -5.435 -14.971 13.104 1.00 0.00 C ATOM 1090 C THR A 73 -6.801 -14.673 13.710 1.00 0.00 C ATOM 1091 O THR A 73 -6.911 -13.931 14.686 1.00 0.00 O ATOM 1092 CB THR A 73 -4.953 -16.346 13.605 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.523 -16.366 13.680 1.00 0.00 O ATOM 1094 CG2 THR A 73 -5.433 -17.456 12.682 1.00 0.00 C ATOM 0 H THR A 73 -4.423 -13.691 14.420 1.00 0.00 H new ATOM 0 HA THR A 73 -5.520 -14.997 12.018 1.00 0.00 H new ATOM 0 HB THR A 73 -5.371 -16.514 14.598 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.224 -17.243 14.001 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.081 -18.418 13.055 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.523 -17.456 12.649 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.040 -17.290 11.679 1.00 0.00 H new ATOM 1102 N CYS A 74 -7.842 -15.256 13.125 1.00 0.00 N ATOM 1103 CA CYS A 74 -9.203 -15.054 13.607 1.00 0.00 C ATOM 1104 C CYS A 74 -9.431 -15.794 14.922 1.00 0.00 C ATOM 1105 O CYS A 74 -8.659 -16.679 15.288 1.00 0.00 O ATOM 1106 CB CYS A 74 -10.213 -15.529 12.560 1.00 0.00 C ATOM 1107 SG CYS A 74 -11.918 -14.962 12.861 1.00 0.00 S ATOM 0 H CYS A 74 -7.769 -15.873 12.316 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.345 -13.987 13.782 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.893 -15.180 11.578 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.204 -16.619 12.530 1.00 0.00 H new ATOM 1112 N GLU A 75 -10.495 -15.423 15.627 1.00 0.00 N ATOM 1113 CA GLU A 75 -10.823 -16.052 16.901 1.00 0.00 C ATOM 1114 C GLU A 75 -12.096 -16.886 16.784 1.00 0.00 C ATOM 1115 O GLU A 75 -12.627 -17.370 17.784 1.00 0.00 O ATOM 1116 CB GLU A 75 -10.994 -14.990 17.989 1.00 0.00 C ATOM 1117 CG GLU A 75 -9.694 -14.315 18.391 1.00 0.00 C ATOM 1118 CD GLU A 75 -8.843 -15.181 19.300 1.00 0.00 C ATOM 1119 OE1 GLU A 75 -8.855 -16.417 19.122 1.00 0.00 O ATOM 1120 OE2 GLU A 75 -8.166 -14.623 20.189 1.00 0.00 O ATOM 0 H GLU A 75 -11.144 -14.691 15.338 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.000 -16.713 17.174 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.694 -14.232 17.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.441 -15.452 18.869 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.125 -14.067 17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.918 -13.375 18.896 1.00 0.00 H new ATOM 1127 N ASP A 76 -12.579 -17.048 15.558 1.00 0.00 N ATOM 1128 CA ASP A 76 -13.789 -17.824 15.309 1.00 0.00 C ATOM 1129 C ASP A 76 -13.538 -18.899 14.257 1.00 0.00 C ATOM 1130 O ASP A 76 -14.164 -19.960 14.276 1.00 0.00 O ATOM 1131 CB ASP A 76 -14.925 -16.906 14.857 1.00 0.00 C ATOM 1132 CG ASP A 76 -16.262 -17.619 14.810 1.00 0.00 C ATOM 1133 OD1 ASP A 76 -16.280 -18.824 14.483 1.00 0.00 O ATOM 1134 OD2 ASP A 76 -17.291 -16.972 15.098 1.00 0.00 O ATOM 0 H ASP A 76 -12.152 -16.653 14.720 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.076 -18.312 16.240 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.993 -16.056 15.536 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.694 -16.507 13.869 1.00 0.00 H new ATOM 1139 N CYS A 77 -12.620 -18.618 13.338 1.00 0.00 N ATOM 1140 CA CYS A 77 -12.287 -19.560 12.276 1.00 0.00 C ATOM 1141 C CYS A 77 -10.786 -19.832 12.242 1.00 0.00 C ATOM 1142 O CYS A 77 -10.319 -20.702 11.506 1.00 0.00 O ATOM 1143 CB CYS A 77 -12.749 -19.017 10.922 1.00 0.00 C ATOM 1144 SG CYS A 77 -11.856 -17.527 10.374 1.00 0.00 S ATOM 0 H CYS A 77 -12.093 -17.745 13.307 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.804 -20.498 12.480 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -12.629 -19.797 10.170 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -13.814 -18.789 10.978 1.00 0.00 H new ATOM 1149 N SER A 78 -10.036 -19.084 13.044 1.00 0.00 N ATOM 1150 CA SER A 78 -8.587 -19.242 13.103 1.00 0.00 C ATOM 1151 C SER A 78 -7.973 -19.150 11.709 1.00 0.00 C ATOM 1152 O SER A 78 -7.107 -19.946 11.346 1.00 0.00 O ATOM 1153 CB SER A 78 -8.225 -20.582 13.745 1.00 0.00 C ATOM 1154 OG SER A 78 -6.846 -20.638 14.067 1.00 0.00 O ATOM 0 H SER A 78 -10.407 -18.362 13.662 1.00 0.00 H new ATOM 0 HA SER A 78 -8.183 -18.434 13.713 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.818 -20.728 14.647 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.476 -21.395 13.063 1.00 0.00 H new ATOM 0 HG SER A 78 -6.315 -20.457 13.264 1.00 0.00 H new ATOM 1160 N THR A 79 -8.428 -18.173 10.932 1.00 0.00 N ATOM 1161 CA THR A 79 -7.926 -17.976 9.578 1.00 0.00 C ATOM 1162 C THR A 79 -6.739 -17.020 9.565 1.00 0.00 C ATOM 1163 O THR A 79 -6.839 -15.883 10.027 1.00 0.00 O ATOM 1164 CB THR A 79 -9.023 -17.427 8.646 1.00 0.00 C ATOM 1165 OG1 THR A 79 -9.865 -18.495 8.197 1.00 0.00 O ATOM 1166 CG2 THR A 79 -8.410 -16.720 7.447 1.00 0.00 C ATOM 0 H THR A 79 -9.144 -17.505 11.217 1.00 0.00 H new ATOM 0 HA THR A 79 -7.606 -18.953 9.215 1.00 0.00 H new ATOM 0 HB THR A 79 -9.619 -16.707 9.207 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.692 -18.503 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.204 -16.341 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.793 -15.889 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.793 -17.422 6.887 1.00 0.00 H new ATOM 1174 N LEU A 80 -5.615 -17.488 9.034 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.407 -16.673 8.960 1.00 0.00 C ATOM 1176 C LEU A 80 -4.649 -15.413 8.135 1.00 0.00 C ATOM 1177 O LEU A 80 -4.807 -15.477 6.916 1.00 0.00 O ATOM 1178 CB LEU A 80 -3.259 -17.482 8.352 1.00 0.00 C ATOM 1179 CG LEU A 80 -1.854 -16.920 8.570 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.481 -16.972 10.043 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -0.838 -17.686 7.734 1.00 0.00 C ATOM 0 H LEU A 80 -5.515 -18.427 8.648 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.137 -16.375 9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.293 -18.490 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.431 -17.570 7.279 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.847 -15.878 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.478 -16.568 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.192 -16.380 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.506 -18.006 10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.157 -17.273 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.848 -18.737 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.095 -17.597 6.678 1.00 0.00 H new ATOM 1193 N PHE A 81 -4.676 -14.268 8.809 1.00 0.00 N ATOM 1194 CA PHE A 81 -4.897 -12.992 8.138 1.00 0.00 C ATOM 1195 C PHE A 81 -3.625 -12.513 7.445 1.00 0.00 C ATOM 1196 O PHE A 81 -3.548 -11.377 6.980 1.00 0.00 O ATOM 1197 CB PHE A 81 -5.371 -11.939 9.143 1.00 0.00 C ATOM 1198 CG PHE A 81 -6.723 -12.234 9.727 1.00 0.00 C ATOM 1199 CD1 PHE A 81 -7.807 -12.493 8.903 1.00 0.00 C ATOM 1200 CD2 PHE A 81 -6.910 -12.253 11.100 1.00 0.00 C ATOM 1201 CE1 PHE A 81 -9.052 -12.764 9.439 1.00 0.00 C ATOM 1202 CE2 PHE A 81 -8.153 -12.523 11.641 1.00 0.00 C ATOM 1203 CZ PHE A 81 -9.225 -12.780 10.809 1.00 0.00 C ATOM 0 H PHE A 81 -4.548 -14.197 9.818 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.668 -13.137 7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.643 -11.866 9.951 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.401 -10.967 8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.678 -12.483 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.075 -12.054 11.755 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.889 -12.963 8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.286 -12.533 12.713 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.197 -12.993 11.229 1.00 0.00 H new ATOM 1213 N GLY A 82 -2.628 -13.391 7.380 1.00 0.00 N ATOM 1214 CA GLY A 82 -1.372 -13.040 6.743 1.00 0.00 C ATOM 1215 C GLY A 82 -0.169 -13.541 7.518 1.00 0.00 C ATOM 1216 O GLY A 82 -0.051 -13.297 8.718 1.00 0.00 O ATOM 0 H GLY A 82 -2.668 -14.338 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.350 -13.456 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.310 -11.956 6.642 1.00 0.00 H new ATOM 1220 N GLU A 83 0.724 -14.246 6.831 1.00 0.00 N ATOM 1221 CA GLU A 83 1.922 -14.785 7.464 1.00 0.00 C ATOM 1222 C GLU A 83 2.638 -13.710 8.277 1.00 0.00 C ATOM 1223 O GLU A 83 3.198 -13.989 9.337 1.00 0.00 O ATOM 1224 CB GLU A 83 2.870 -15.358 6.408 1.00 0.00 C ATOM 1225 CG GLU A 83 2.320 -16.583 5.697 1.00 0.00 C ATOM 1226 CD GLU A 83 3.412 -17.533 5.243 1.00 0.00 C ATOM 1227 OE1 GLU A 83 4.350 -17.073 4.558 1.00 0.00 O ATOM 1228 OE2 GLU A 83 3.328 -18.734 5.572 1.00 0.00 O ATOM 0 H GLU A 83 0.641 -14.457 5.837 1.00 0.00 H new ATOM 0 HA GLU A 83 1.617 -15.584 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.087 -14.586 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.816 -15.618 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.639 -17.111 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.737 -16.266 4.832 1.00 0.00 H new ATOM 1235 N TYR A 84 2.617 -12.482 7.771 1.00 0.00 N ATOM 1236 CA TYR A 84 3.266 -11.366 8.448 1.00 0.00 C ATOM 1237 C TYR A 84 2.234 -10.374 8.975 1.00 0.00 C ATOM 1238 O TYR A 84 1.368 -9.909 8.233 1.00 0.00 O ATOM 1239 CB TYR A 84 4.232 -10.658 7.496 1.00 0.00 C ATOM 1240 CG TYR A 84 5.639 -11.210 7.539 1.00 0.00 C ATOM 1241 CD1 TYR A 84 5.892 -12.543 7.238 1.00 0.00 C ATOM 1242 CD2 TYR A 84 6.714 -10.399 7.880 1.00 0.00 C ATOM 1243 CE1 TYR A 84 7.176 -13.052 7.277 1.00 0.00 C ATOM 1244 CE2 TYR A 84 8.002 -10.900 7.920 1.00 0.00 C ATOM 1245 CZ TYR A 84 8.227 -12.226 7.618 1.00 0.00 C ATOM 1246 OH TYR A 84 9.507 -12.729 7.656 1.00 0.00 O ATOM 0 H TYR A 84 2.158 -12.234 6.895 1.00 0.00 H new ATOM 0 HA TYR A 84 3.826 -11.763 9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.850 -10.739 6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.259 -9.597 7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.071 -13.192 6.969 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.541 -9.360 8.118 1.00 0.00 H new ATOM 0 HE1 TYR A 84 7.356 -14.091 7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.827 -10.256 8.186 1.00 0.00 H new ATOM 0 HH TYR A 84 10.131 -12.018 7.912 1.00 0.00 H new ATOM 1256 N TYR A 85 2.334 -10.053 10.260 1.00 0.00 N ATOM 1257 CA TYR A 85 1.409 -9.118 10.889 1.00 0.00 C ATOM 1258 C TYR A 85 2.162 -7.958 11.533 1.00 0.00 C ATOM 1259 O TYR A 85 2.799 -8.117 12.574 1.00 0.00 O ATOM 1260 CB TYR A 85 0.560 -9.835 11.939 1.00 0.00 C ATOM 1261 CG TYR A 85 1.329 -10.212 13.185 1.00 0.00 C ATOM 1262 CD1 TYR A 85 2.180 -11.310 13.196 1.00 0.00 C ATOM 1263 CD2 TYR A 85 1.205 -9.468 14.353 1.00 0.00 C ATOM 1264 CE1 TYR A 85 2.884 -11.657 14.332 1.00 0.00 C ATOM 1265 CE2 TYR A 85 1.906 -9.807 15.494 1.00 0.00 C ATOM 1266 CZ TYR A 85 2.744 -10.903 15.479 1.00 0.00 C ATOM 1267 OH TYR A 85 3.444 -11.245 16.613 1.00 0.00 O ATOM 0 H TYR A 85 3.047 -10.427 10.887 1.00 0.00 H new ATOM 0 HA TYR A 85 0.754 -8.718 10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.276 -9.193 12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.136 -10.737 11.497 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.293 -11.903 12.300 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.549 -8.610 14.368 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.541 -12.514 14.323 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.799 -9.218 16.393 1.00 0.00 H new ATOM 0 HH TYR A 85 3.234 -10.612 17.331 1.00 0.00 H new ATOM 1277 N CYS A 86 2.082 -6.789 10.906 1.00 0.00 N ATOM 1278 CA CYS A 86 2.755 -5.600 11.416 1.00 0.00 C ATOM 1279 C CYS A 86 1.906 -4.909 12.480 1.00 0.00 C ATOM 1280 O CYS A 86 0.750 -4.564 12.239 1.00 0.00 O ATOM 1281 CB CYS A 86 3.050 -4.626 10.273 1.00 0.00 C ATOM 1282 SG CYS A 86 4.190 -3.277 10.721 1.00 0.00 S ATOM 0 H CYS A 86 1.558 -6.640 10.044 1.00 0.00 H new ATOM 0 HA CYS A 86 3.695 -5.912 11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.473 -5.182 9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.111 -4.194 9.927 1.00 0.00 H new ATOM 1287 N SER A 87 2.490 -4.711 13.657 1.00 0.00 N ATOM 1288 CA SER A 87 1.788 -4.066 14.760 1.00 0.00 C ATOM 1289 C SER A 87 1.928 -2.549 14.679 1.00 0.00 C ATOM 1290 O SER A 87 1.020 -1.809 15.062 1.00 0.00 O ATOM 1291 CB SER A 87 2.327 -4.568 16.100 1.00 0.00 C ATOM 1292 OG SER A 87 3.697 -4.240 16.254 1.00 0.00 O ATOM 0 H SER A 87 3.448 -4.988 13.871 1.00 0.00 H new ATOM 0 HA SER A 87 0.731 -4.321 14.684 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.751 -4.129 16.915 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.199 -5.648 16.165 1.00 0.00 H new ATOM 0 HG SER A 87 4.017 -4.570 17.119 1.00 0.00 H new ATOM 1298 N ILE A 88 3.071 -2.092 14.179 1.00 0.00 N ATOM 1299 CA ILE A 88 3.330 -0.664 14.047 1.00 0.00 C ATOM 1300 C ILE A 88 2.401 -0.030 13.017 1.00 0.00 C ATOM 1301 O ILE A 88 1.872 1.061 13.231 1.00 0.00 O ATOM 1302 CB ILE A 88 4.791 -0.392 13.640 1.00 0.00 C ATOM 1303 CG1 ILE A 88 5.748 -0.929 14.706 1.00 0.00 C ATOM 1304 CG2 ILE A 88 5.012 1.097 13.423 1.00 0.00 C ATOM 1305 CD1 ILE A 88 7.112 -1.294 14.165 1.00 0.00 C ATOM 0 H ILE A 88 3.833 -2.690 13.859 1.00 0.00 H new ATOM 0 HA ILE A 88 3.144 -0.218 15.024 1.00 0.00 H new ATOM 0 HB ILE A 88 4.994 -0.909 12.702 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.865 -0.179 15.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.304 -1.809 15.172 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.049 1.273 13.136 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.351 1.451 12.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.795 1.635 14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.737 -1.667 14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.007 -2.067 13.403 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.577 -0.412 13.725 1.00 0.00 H new ATOM 1317 N CYS A 89 2.206 -0.721 11.899 1.00 0.00 N ATOM 1318 CA CYS A 89 1.339 -0.227 10.836 1.00 0.00 C ATOM 1319 C CYS A 89 -0.022 -0.916 10.880 1.00 0.00 C ATOM 1320 O CYS A 89 -0.966 -0.491 10.212 1.00 0.00 O ATOM 1321 CB CYS A 89 1.993 -0.452 9.471 1.00 0.00 C ATOM 1322 SG CYS A 89 3.758 -0.002 9.409 1.00 0.00 S ATOM 0 H CYS A 89 2.637 -1.625 11.706 1.00 0.00 H new ATOM 0 HA CYS A 89 1.190 0.842 10.989 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.887 -1.502 9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.454 0.128 8.722 1.00 0.00 H new ATOM 1327 N HIS A 90 -0.115 -1.980 11.670 1.00 0.00 N ATOM 1328 CA HIS A 90 -1.361 -2.727 11.802 1.00 0.00 C ATOM 1329 C HIS A 90 -1.769 -3.344 10.467 1.00 0.00 C ATOM 1330 O HIS A 90 -2.953 -3.563 10.208 1.00 0.00 O ATOM 1331 CB HIS A 90 -2.475 -1.815 12.317 1.00 0.00 C ATOM 1332 CG HIS A 90 -2.071 -0.982 13.494 1.00 0.00 C ATOM 1333 ND1 HIS A 90 -1.515 0.274 13.372 1.00 0.00 N ATOM 1334 CD2 HIS A 90 -2.147 -1.231 14.823 1.00 0.00 C ATOM 1335 CE1 HIS A 90 -1.264 0.761 14.574 1.00 0.00 C ATOM 1336 NE2 HIS A 90 -1.639 -0.133 15.472 1.00 0.00 N ATOM 0 H HIS A 90 0.657 -2.345 12.228 1.00 0.00 H new ATOM 0 HA HIS A 90 -1.199 -3.531 12.520 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.797 -1.157 11.510 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.335 -2.426 12.592 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.535 -2.126 15.286 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.827 1.725 14.787 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.563 -0.025 16.483 1.00 0.00 H new ATOM 1344 N LEU A 91 -0.781 -3.622 9.623 1.00 0.00 N ATOM 1345 CA LEU A 91 -1.037 -4.213 8.314 1.00 0.00 C ATOM 1346 C LEU A 91 -0.730 -5.707 8.322 1.00 0.00 C ATOM 1347 O LEU A 91 0.070 -6.182 9.128 1.00 0.00 O ATOM 1348 CB LEU A 91 -0.197 -3.513 7.244 1.00 0.00 C ATOM 1349 CG LEU A 91 -0.024 -4.269 5.926 1.00 0.00 C ATOM 1350 CD1 LEU A 91 0.154 -3.295 4.772 1.00 0.00 C ATOM 1351 CD2 LEU A 91 1.159 -5.223 6.009 1.00 0.00 C ATOM 0 H LEU A 91 0.204 -3.448 9.822 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.094 -4.080 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.652 -2.546 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.791 -3.315 7.659 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.925 -4.855 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.276 -3.851 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.724 -2.653 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.038 -2.682 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.267 -5.752 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.068 -4.658 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.990 -5.943 6.810 1.00 0.00 H new ATOM 1363 N PHE A 92 -1.369 -6.442 7.418 1.00 0.00 N ATOM 1364 CA PHE A 92 -1.164 -7.882 7.320 1.00 0.00 C ATOM 1365 C PHE A 92 -0.970 -8.306 5.867 1.00 0.00 C ATOM 1366 O PHE A 92 -1.907 -8.272 5.069 1.00 0.00 O ATOM 1367 CB PHE A 92 -2.352 -8.631 7.928 1.00 0.00 C ATOM 1368 CG PHE A 92 -2.806 -8.067 9.244 1.00 0.00 C ATOM 1369 CD1 PHE A 92 -2.184 -8.440 10.424 1.00 0.00 C ATOM 1370 CD2 PHE A 92 -3.856 -7.164 9.300 1.00 0.00 C ATOM 1371 CE1 PHE A 92 -2.601 -7.923 11.636 1.00 0.00 C ATOM 1372 CE2 PHE A 92 -4.276 -6.643 10.509 1.00 0.00 C ATOM 1373 CZ PHE A 92 -3.648 -7.023 11.679 1.00 0.00 C ATOM 0 H PHE A 92 -2.033 -6.064 6.743 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.262 -8.134 7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.185 -8.607 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.080 -9.678 8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.364 -9.143 10.397 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.352 -6.864 8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.108 -8.223 12.549 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.095 -5.939 10.539 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.975 -6.617 12.625 1.00 0.00 H new ATOM 1383 N ASP A 93 0.252 -8.705 5.532 1.00 0.00 N ATOM 1384 CA ASP A 93 0.570 -9.136 4.175 1.00 0.00 C ATOM 1385 C ASP A 93 1.315 -10.467 4.189 1.00 0.00 C ATOM 1386 O ASP A 93 2.266 -10.651 4.949 1.00 0.00 O ATOM 1387 CB ASP A 93 1.410 -8.074 3.463 1.00 0.00 C ATOM 1388 CG ASP A 93 1.621 -8.392 1.996 1.00 0.00 C ATOM 1389 OD1 ASP A 93 1.391 -9.554 1.602 1.00 0.00 O ATOM 1390 OD2 ASP A 93 2.019 -7.479 1.243 1.00 0.00 O ATOM 0 H ASP A 93 1.038 -8.739 6.181 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.366 -9.270 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.920 -7.105 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.378 -7.989 3.957 1.00 0.00 H new ATOM 1395 N LYS A 94 0.875 -11.394 3.344 1.00 0.00 N ATOM 1396 CA LYS A 94 1.500 -12.709 3.258 1.00 0.00 C ATOM 1397 C LYS A 94 3.011 -12.584 3.097 1.00 0.00 C ATOM 1398 O LYS A 94 3.556 -11.480 3.095 1.00 0.00 O ATOM 1399 CB LYS A 94 0.914 -13.498 2.085 1.00 0.00 C ATOM 1400 CG LYS A 94 1.552 -13.163 0.748 1.00 0.00 C ATOM 1401 CD LYS A 94 1.583 -14.371 -0.174 1.00 0.00 C ATOM 1402 CE LYS A 94 0.341 -14.437 -1.048 1.00 0.00 C ATOM 1403 NZ LYS A 94 0.473 -13.588 -2.265 1.00 0.00 N ATOM 0 H LYS A 94 0.088 -11.259 2.709 1.00 0.00 H new ATOM 0 HA LYS A 94 1.295 -13.243 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.034 -14.564 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.157 -13.304 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.997 -12.355 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.567 -12.801 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.471 -14.326 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.660 -15.282 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.160 -15.470 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.526 -14.114 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.314 -13.788 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.450 -12.585 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.375 -13.798 -2.739 1.00 0.00 H new ATOM 1417 N ASP A 95 3.683 -13.722 2.959 1.00 0.00 N ATOM 1418 CA ASP A 95 5.132 -13.739 2.794 1.00 0.00 C ATOM 1419 C ASP A 95 5.575 -12.698 1.771 1.00 0.00 C ATOM 1420 O ASP A 95 6.112 -11.650 2.128 1.00 0.00 O ATOM 1421 CB ASP A 95 5.600 -15.129 2.362 1.00 0.00 C ATOM 1422 CG ASP A 95 6.914 -15.088 1.607 1.00 0.00 C ATOM 1423 OD1 ASP A 95 7.843 -14.393 2.069 1.00 0.00 O ATOM 1424 OD2 ASP A 95 7.014 -15.752 0.554 1.00 0.00 O ATOM 0 H ASP A 95 3.248 -14.644 2.958 1.00 0.00 H new ATOM 0 HA ASP A 95 5.586 -13.493 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.710 -15.762 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.837 -15.587 1.733 1.00 0.00 H new ATOM 1429 N LYS A 96 5.347 -12.995 0.496 1.00 0.00 N ATOM 1430 CA LYS A 96 5.721 -12.086 -0.581 1.00 0.00 C ATOM 1431 C LYS A 96 7.084 -11.456 -0.311 1.00 0.00 C ATOM 1432 O LYS A 96 7.383 -10.366 -0.800 1.00 0.00 O ATOM 1433 CB LYS A 96 4.665 -10.991 -0.742 1.00 0.00 C ATOM 1434 CG LYS A 96 3.536 -11.369 -1.685 1.00 0.00 C ATOM 1435 CD LYS A 96 2.989 -10.155 -2.417 1.00 0.00 C ATOM 1436 CE LYS A 96 2.174 -9.266 -1.491 1.00 0.00 C ATOM 1437 NZ LYS A 96 1.141 -8.491 -2.233 1.00 0.00 N ATOM 0 H LYS A 96 4.905 -13.859 0.183 1.00 0.00 H new ATOM 0 HA LYS A 96 5.782 -12.662 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.246 -10.755 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.146 -10.085 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.895 -12.100 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.735 -11.846 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.814 -9.582 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.367 -10.481 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.691 -9.880 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.839 -8.578 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.955 -7.596 -1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.482 -8.289 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.263 -9.046 -2.287 1.00 0.00 H new ATOM 1451 N ARG A 97 7.908 -12.149 0.468 1.00 0.00 N ATOM 1452 CA ARG A 97 9.239 -11.657 0.802 1.00 0.00 C ATOM 1453 C ARG A 97 9.214 -10.154 1.061 1.00 0.00 C ATOM 1454 O ARG A 97 9.956 -9.395 0.437 1.00 0.00 O ATOM 1455 CB ARG A 97 10.221 -11.975 -0.327 1.00 0.00 C ATOM 1456 CG ARG A 97 11.669 -12.052 0.128 1.00 0.00 C ATOM 1457 CD ARG A 97 12.401 -10.742 -0.118 1.00 0.00 C ATOM 1458 NE ARG A 97 12.199 -10.250 -1.478 1.00 0.00 N ATOM 1459 CZ ARG A 97 12.692 -10.848 -2.557 1.00 0.00 C ATOM 1460 NH1 ARG A 97 13.410 -11.956 -2.435 1.00 0.00 N ATOM 1461 NH2 ARG A 97 12.465 -10.339 -3.761 1.00 0.00 N ATOM 0 H ARG A 97 7.677 -13.053 0.880 1.00 0.00 H new ATOM 0 HA ARG A 97 9.567 -12.159 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.942 -12.925 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.132 -11.212 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.705 -12.296 1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.176 -12.858 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.054 -9.993 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.467 -10.883 0.062 1.00 0.00 H new ATOM 0 HE ARG A 97 11.649 -9.401 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.585 -12.351 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.787 -12.413 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.912 -9.488 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.844 -10.799 -4.589 1.00 0.00 H new ATOM 1475 N GLN A 98 8.356 -9.732 1.984 1.00 0.00 N ATOM 1476 CA GLN A 98 8.234 -8.319 2.324 1.00 0.00 C ATOM 1477 C GLN A 98 8.820 -8.039 3.703 1.00 0.00 C ATOM 1478 O GLN A 98 8.709 -8.859 4.615 1.00 0.00 O ATOM 1479 CB GLN A 98 6.767 -7.888 2.282 1.00 0.00 C ATOM 1480 CG GLN A 98 6.532 -6.478 2.801 1.00 0.00 C ATOM 1481 CD GLN A 98 5.164 -5.941 2.431 1.00 0.00 C ATOM 1482 OE1 GLN A 98 5.048 -4.931 1.736 1.00 0.00 O ATOM 1483 NE2 GLN A 98 4.118 -6.614 2.896 1.00 0.00 N ATOM 0 H GLN A 98 7.735 -10.348 2.510 1.00 0.00 H new ATOM 0 HA GLN A 98 8.795 -7.744 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.407 -7.953 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.175 -8.587 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.640 -6.471 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.299 -5.815 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.260 -7.446 3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.172 -6.299 2.681 1.00 0.00 H new ATOM 1492 N TYR A 99 9.444 -6.876 3.850 1.00 0.00 N ATOM 1493 CA TYR A 99 10.050 -6.488 5.118 1.00 0.00 C ATOM 1494 C TYR A 99 9.536 -5.126 5.574 1.00 0.00 C ATOM 1495 O TYR A 99 8.981 -4.362 4.784 1.00 0.00 O ATOM 1496 CB TYR A 99 11.574 -6.453 4.990 1.00 0.00 C ATOM 1497 CG TYR A 99 12.099 -5.187 4.353 1.00 0.00 C ATOM 1498 CD1 TYR A 99 12.120 -3.989 5.055 1.00 0.00 C ATOM 1499 CD2 TYR A 99 12.576 -5.189 3.047 1.00 0.00 C ATOM 1500 CE1 TYR A 99 12.598 -2.829 4.477 1.00 0.00 C ATOM 1501 CE2 TYR A 99 13.058 -4.034 2.461 1.00 0.00 C ATOM 1502 CZ TYR A 99 13.066 -2.857 3.180 1.00 0.00 C ATOM 1503 OH TYR A 99 13.545 -1.704 2.600 1.00 0.00 O ATOM 0 H TYR A 99 9.544 -6.185 3.106 1.00 0.00 H new ATOM 0 HA TYR A 99 9.772 -7.230 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.016 -6.562 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 99 11.900 -7.309 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.756 -3.964 6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.570 -6.109 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.605 -1.906 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.426 -4.053 1.446 1.00 0.00 H new ATOM 0 HH TYR A 99 13.357 -0.941 3.186 1.00 0.00 H new ATOM 1513 N HIS A 100 9.725 -4.828 6.856 1.00 0.00 N ATOM 1514 CA HIS A 100 9.282 -3.557 7.419 1.00 0.00 C ATOM 1515 C HIS A 100 10.463 -2.770 7.979 1.00 0.00 C ATOM 1516 O HIS A 100 11.322 -3.324 8.666 1.00 0.00 O ATOM 1517 CB HIS A 100 8.246 -3.796 8.518 1.00 0.00 C ATOM 1518 CG HIS A 100 8.004 -2.598 9.383 1.00 0.00 C ATOM 1519 ND1 HIS A 100 6.842 -1.858 9.337 1.00 0.00 N ATOM 1520 CD2 HIS A 100 8.784 -2.013 10.323 1.00 0.00 C ATOM 1521 CE1 HIS A 100 6.917 -0.869 10.210 1.00 0.00 C ATOM 1522 NE2 HIS A 100 8.085 -0.941 10.821 1.00 0.00 N ATOM 0 H HIS A 100 10.182 -5.449 7.524 1.00 0.00 H new ATOM 0 HA HIS A 100 8.825 -2.973 6.620 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.305 -4.099 8.059 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.577 -4.625 9.144 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.771 -2.330 10.625 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.153 -0.128 10.393 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.415 -0.304 11.546 1.00 0.00 H new ATOM 1530 N CYS A 101 10.500 -1.476 7.681 1.00 0.00 N ATOM 1531 CA CYS A 101 11.576 -0.612 8.154 1.00 0.00 C ATOM 1532 C CYS A 101 11.115 0.231 9.340 1.00 0.00 C ATOM 1533 O CYS A 101 10.088 0.904 9.273 1.00 0.00 O ATOM 1534 CB CYS A 101 12.060 0.299 7.024 1.00 0.00 C ATOM 1535 SG CYS A 101 13.093 1.691 7.583 1.00 0.00 S ATOM 0 H CYS A 101 9.797 -1.002 7.114 1.00 0.00 H new ATOM 0 HA CYS A 101 12.401 -1.245 8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.628 -0.297 6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 101 11.194 0.694 6.493 1.00 0.00 H new ATOM 1540 N GLU A 102 11.884 0.187 10.423 1.00 0.00 N ATOM 1541 CA GLU A 102 11.554 0.946 11.624 1.00 0.00 C ATOM 1542 C GLU A 102 11.778 2.440 11.402 1.00 0.00 C ATOM 1543 O GLU A 102 10.956 3.266 11.797 1.00 0.00 O ATOM 1544 CB GLU A 102 12.397 0.464 12.807 1.00 0.00 C ATOM 1545 CG GLU A 102 12.080 -0.957 13.241 1.00 0.00 C ATOM 1546 CD GLU A 102 13.210 -1.593 14.026 1.00 0.00 C ATOM 1547 OE1 GLU A 102 14.167 -2.086 13.394 1.00 0.00 O ATOM 1548 OE2 GLU A 102 13.137 -1.599 15.273 1.00 0.00 O ATOM 0 H GLU A 102 12.739 -0.365 10.494 1.00 0.00 H new ATOM 0 HA GLU A 102 10.500 0.783 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.452 0.527 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 102 12.241 1.136 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.176 -0.954 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.868 -1.563 12.360 1.00 0.00 H new ATOM 1555 N SER A 103 12.895 2.777 10.766 1.00 0.00 N ATOM 1556 CA SER A 103 13.230 4.170 10.495 1.00 0.00 C ATOM 1557 C SER A 103 12.088 4.870 9.765 1.00 0.00 C ATOM 1558 O SER A 103 11.919 6.085 9.874 1.00 0.00 O ATOM 1559 CB SER A 103 14.511 4.256 9.663 1.00 0.00 C ATOM 1560 OG SER A 103 15.607 3.681 10.353 1.00 0.00 O ATOM 0 H SER A 103 13.584 2.104 10.429 1.00 0.00 H new ATOM 0 HA SER A 103 13.391 4.672 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.366 3.743 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.729 5.299 9.432 1.00 0.00 H new ATOM 0 HG SER A 103 16.392 3.668 9.767 1.00 0.00 H new ATOM 1566 N CYS A 104 11.306 4.096 9.021 1.00 0.00 N ATOM 1567 CA CYS A 104 10.180 4.639 8.272 1.00 0.00 C ATOM 1568 C CYS A 104 8.854 4.184 8.876 1.00 0.00 C ATOM 1569 O CYS A 104 7.783 4.524 8.377 1.00 0.00 O ATOM 1570 CB CYS A 104 10.260 4.209 6.806 1.00 0.00 C ATOM 1571 SG CYS A 104 11.792 4.719 5.964 1.00 0.00 S ATOM 0 H CYS A 104 11.432 3.089 8.921 1.00 0.00 H new ATOM 0 HA CYS A 104 10.230 5.726 8.328 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.172 3.124 6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 104 9.407 4.625 6.269 1.00 0.00 H new ATOM 1576 N GLY A 105 8.936 3.411 9.955 1.00 0.00 N ATOM 1577 CA GLY A 105 7.737 2.921 10.609 1.00 0.00 C ATOM 1578 C GLY A 105 6.700 2.423 9.622 1.00 0.00 C ATOM 1579 O GLY A 105 5.513 2.354 9.941 1.00 0.00 O ATOM 0 H GLY A 105 9.811 3.116 10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.003 2.113 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.305 3.718 11.214 1.00 0.00 H new ATOM 1583 N ILE A 106 7.148 2.077 8.420 1.00 0.00 N ATOM 1584 CA ILE A 106 6.249 1.584 7.383 1.00 0.00 C ATOM 1585 C ILE A 106 6.778 0.295 6.765 1.00 0.00 C ATOM 1586 O ILE A 106 7.945 -0.057 6.939 1.00 0.00 O ATOM 1587 CB ILE A 106 6.047 2.629 6.270 1.00 0.00 C ATOM 1588 CG1 ILE A 106 7.400 3.114 5.744 1.00 0.00 C ATOM 1589 CG2 ILE A 106 5.223 3.800 6.785 1.00 0.00 C ATOM 1590 CD1 ILE A 106 7.910 2.315 4.564 1.00 0.00 C ATOM 0 H ILE A 106 8.127 2.129 8.140 1.00 0.00 H new ATOM 0 HA ILE A 106 5.291 1.387 7.863 1.00 0.00 H new ATOM 0 HB ILE A 106 5.504 2.162 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.314 4.161 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.133 3.066 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.089 4.530 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.248 3.441 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.740 4.269 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.872 2.714 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.028 1.271 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.197 2.384 3.742 1.00 0.00 H new ATOM 1602 N CYS A 107 5.913 -0.406 6.040 1.00 0.00 N ATOM 1603 CA CYS A 107 6.292 -1.656 5.393 1.00 0.00 C ATOM 1604 C CYS A 107 6.835 -1.400 3.990 1.00 0.00 C ATOM 1605 O CYS A 107 6.449 -0.435 3.331 1.00 0.00 O ATOM 1606 CB CYS A 107 5.092 -2.602 5.323 1.00 0.00 C ATOM 1607 SG CYS A 107 4.388 -3.033 6.947 1.00 0.00 S ATOM 0 H CYS A 107 4.944 -0.129 5.886 1.00 0.00 H new ATOM 0 HA CYS A 107 7.078 -2.120 5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.315 -2.141 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.394 -3.518 4.816 1.00 0.00 H new ATOM 1612 N ARG A 108 7.732 -2.272 3.541 1.00 0.00 N ATOM 1613 CA ARG A 108 8.328 -2.140 2.217 1.00 0.00 C ATOM 1614 C ARG A 108 8.723 -3.505 1.660 1.00 0.00 C ATOM 1615 O ARG A 108 8.977 -4.444 2.415 1.00 0.00 O ATOM 1616 CB ARG A 108 9.554 -1.227 2.275 1.00 0.00 C ATOM 1617 CG ARG A 108 9.232 0.199 2.689 1.00 0.00 C ATOM 1618 CD ARG A 108 10.386 1.142 2.384 1.00 0.00 C ATOM 1619 NE ARG A 108 10.351 1.620 1.004 1.00 0.00 N ATOM 1620 CZ ARG A 108 9.670 2.693 0.615 1.00 0.00 C ATOM 1621 NH1 ARG A 108 8.971 3.394 1.497 1.00 0.00 N ATOM 1622 NH2 ARG A 108 9.687 3.065 -0.658 1.00 0.00 N ATOM 0 H ARG A 108 8.062 -3.077 4.074 1.00 0.00 H new ATOM 0 HA ARG A 108 7.585 -1.697 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.276 -1.646 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.033 -1.213 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.337 0.537 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 108 9.009 0.228 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.348 1.993 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.331 0.630 2.567 1.00 0.00 H new ATOM 0 HE ARG A 108 10.878 1.102 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.955 3.110 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.449 4.217 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.223 2.527 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.164 3.889 -0.956 1.00 0.00 H new ATOM 1636 N ILE A 109 8.771 -3.607 0.336 1.00 0.00 N ATOM 1637 CA ILE A 109 9.135 -4.856 -0.321 1.00 0.00 C ATOM 1638 C ILE A 109 10.639 -4.931 -0.564 1.00 0.00 C ATOM 1639 O ILE A 109 11.243 -3.990 -1.077 1.00 0.00 O ATOM 1640 CB ILE A 109 8.400 -5.021 -1.664 1.00 0.00 C ATOM 1641 CG1 ILE A 109 6.889 -5.093 -1.438 1.00 0.00 C ATOM 1642 CG2 ILE A 109 8.893 -6.265 -2.388 1.00 0.00 C ATOM 1643 CD1 ILE A 109 6.459 -6.276 -0.599 1.00 0.00 C ATOM 0 H ILE A 109 8.562 -2.840 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 109 8.837 -5.663 0.348 1.00 0.00 H new ATOM 0 HB ILE A 109 8.614 -4.153 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.558 -4.175 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.387 -5.142 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 109 8.364 -6.368 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.963 -6.176 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.706 -7.144 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.376 -6.263 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.759 -7.200 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.932 -6.218 0.381 1.00 0.00 H new ATOM 1655 N GLY A 110 11.237 -6.059 -0.193 1.00 0.00 N ATOM 1656 CA GLY A 110 12.665 -6.238 -0.381 1.00 0.00 C ATOM 1657 C GLY A 110 13.031 -6.510 -1.827 1.00 0.00 C ATOM 1658 O GLY A 110 12.493 -5.899 -2.751 1.00 0.00 O ATOM 0 H GLY A 110 10.758 -6.852 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.188 -5.345 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.009 -7.066 0.239 1.00 0.00 H new ATOM 1662 N PRO A 111 13.967 -7.447 -2.038 1.00 0.00 N ATOM 1663 CA PRO A 111 14.614 -8.180 -0.946 1.00 0.00 C ATOM 1664 C PRO A 111 15.545 -7.295 -0.125 1.00 0.00 C ATOM 1665 O PRO A 111 16.515 -6.745 -0.646 1.00 0.00 O ATOM 1666 CB PRO A 111 15.411 -9.267 -1.671 1.00 0.00 C ATOM 1667 CG PRO A 111 15.665 -8.708 -3.029 1.00 0.00 C ATOM 1668 CD PRO A 111 14.467 -7.862 -3.359 1.00 0.00 C ATOM 0 HA PRO A 111 13.889 -8.569 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 111 16.344 -9.486 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 111 14.850 -10.200 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.578 -8.113 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 111 15.794 -9.505 -3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.738 -7.004 -3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.717 -8.426 -3.913 1.00 0.00 H new ATOM 1676 N LYS A 112 15.244 -7.161 1.163 1.00 0.00 N ATOM 1677 CA LYS A 112 16.055 -6.344 2.058 1.00 0.00 C ATOM 1678 C LYS A 112 17.526 -6.394 1.657 1.00 0.00 C ATOM 1679 O LYS A 112 18.223 -5.380 1.694 1.00 0.00 O ATOM 1680 CB LYS A 112 15.893 -6.820 3.503 1.00 0.00 C ATOM 1681 CG LYS A 112 16.472 -5.860 4.528 1.00 0.00 C ATOM 1682 CD LYS A 112 15.423 -4.882 5.030 1.00 0.00 C ATOM 1683 CE LYS A 112 14.737 -5.397 6.286 1.00 0.00 C ATOM 1684 NZ LYS A 112 15.598 -5.243 7.491 1.00 0.00 N ATOM 0 H LYS A 112 14.444 -7.608 1.610 1.00 0.00 H new ATOM 0 HA LYS A 112 15.710 -5.313 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.833 -6.966 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 112 16.376 -7.791 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.877 -6.424 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.302 -5.309 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.891 -3.920 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.679 -4.713 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.802 -4.857 6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.481 -6.448 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.344 -5.966 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.596 -5.358 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.456 -4.298 7.900 1.00 0.00 H new ATOM 1698 N GLU A 113 17.990 -7.579 1.272 1.00 0.00 N ATOM 1699 CA GLU A 113 19.379 -7.758 0.863 1.00 0.00 C ATOM 1700 C GLU A 113 19.769 -6.737 -0.202 1.00 0.00 C ATOM 1701 O GLU A 113 20.744 -6.003 -0.044 1.00 0.00 O ATOM 1702 CB GLU A 113 19.597 -9.176 0.331 1.00 0.00 C ATOM 1703 CG GLU A 113 19.554 -10.245 1.410 1.00 0.00 C ATOM 1704 CD GLU A 113 20.328 -9.851 2.653 1.00 0.00 C ATOM 1705 OE1 GLU A 113 21.567 -9.717 2.563 1.00 0.00 O ATOM 1706 OE2 GLU A 113 19.695 -9.677 3.715 1.00 0.00 O ATOM 0 H GLU A 113 17.426 -8.428 1.235 1.00 0.00 H new ATOM 0 HA GLU A 113 20.012 -7.604 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 113 18.835 -9.396 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 113 20.562 -9.221 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 113 18.516 -10.442 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 113 19.962 -11.174 1.012 1.00 0.00 H new ATOM 1713 N ASP A 114 19.001 -6.699 -1.285 1.00 0.00 N ATOM 1714 CA ASP A 114 19.266 -5.768 -2.376 1.00 0.00 C ATOM 1715 C ASP A 114 18.628 -4.411 -2.099 1.00 0.00 C ATOM 1716 O ASP A 114 18.126 -3.751 -3.010 1.00 0.00 O ATOM 1717 CB ASP A 114 18.738 -6.334 -3.696 1.00 0.00 C ATOM 1718 CG ASP A 114 19.282 -5.593 -4.902 1.00 0.00 C ATOM 1719 OD1 ASP A 114 20.462 -5.809 -5.247 1.00 0.00 O ATOM 1720 OD2 ASP A 114 18.527 -4.797 -5.499 1.00 0.00 O ATOM 0 H ASP A 114 18.191 -7.301 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 114 20.345 -5.633 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.006 -7.388 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.649 -6.281 -3.701 1.00 0.00 H new ATOM 1725 N PHE A 115 18.651 -3.999 -0.836 1.00 0.00 N ATOM 1726 CA PHE A 115 18.073 -2.720 -0.438 1.00 0.00 C ATOM 1727 C PHE A 115 18.732 -2.199 0.836 1.00 0.00 C ATOM 1728 O PHE A 115 19.467 -2.922 1.509 1.00 0.00 O ATOM 1729 CB PHE A 115 16.565 -2.862 -0.225 1.00 0.00 C ATOM 1730 CG PHE A 115 15.778 -2.886 -1.504 1.00 0.00 C ATOM 1731 CD1 PHE A 115 15.648 -4.059 -2.231 1.00 0.00 C ATOM 1732 CD2 PHE A 115 15.169 -1.736 -1.980 1.00 0.00 C ATOM 1733 CE1 PHE A 115 14.924 -4.085 -3.408 1.00 0.00 C ATOM 1734 CE2 PHE A 115 14.444 -1.756 -3.156 1.00 0.00 C ATOM 1735 CZ PHE A 115 14.322 -2.932 -3.872 1.00 0.00 C ATOM 0 H PHE A 115 19.064 -4.532 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 115 18.253 -2.003 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 115 16.369 -3.780 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 115 16.214 -2.035 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 115 16.118 -4.963 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 115 15.262 -0.814 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 115 14.829 -5.006 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 115 13.973 -0.853 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 115 13.757 -2.949 -4.792 1.00 0.00 H new ATOM 1745 N PHE A 116 18.463 -0.938 1.160 1.00 0.00 N ATOM 1746 CA PHE A 116 19.030 -0.318 2.352 1.00 0.00 C ATOM 1747 C PHE A 116 18.211 0.898 2.774 1.00 0.00 C ATOM 1748 O PHE A 116 17.223 1.250 2.129 1.00 0.00 O ATOM 1749 CB PHE A 116 20.481 0.093 2.098 1.00 0.00 C ATOM 1750 CG PHE A 116 20.620 1.235 1.133 1.00 0.00 C ATOM 1751 CD1 PHE A 116 20.325 2.531 1.525 1.00 0.00 C ATOM 1752 CD2 PHE A 116 21.046 1.013 -0.167 1.00 0.00 C ATOM 1753 CE1 PHE A 116 20.453 3.585 0.640 1.00 0.00 C ATOM 1754 CE2 PHE A 116 21.175 2.063 -1.057 1.00 0.00 C ATOM 1755 CZ PHE A 116 20.877 3.350 -0.653 1.00 0.00 C ATOM 0 H PHE A 116 17.856 -0.326 0.614 1.00 0.00 H new ATOM 0 HA PHE A 116 19.004 -1.050 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.943 0.370 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 116 21.032 -0.766 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.991 2.720 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 116 21.280 0.009 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 116 20.222 4.591 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 116 21.508 1.877 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 116 20.976 4.171 -1.347 1.00 0.00 H new ATOM 1765 N HIS A 117 18.630 1.538 3.862 1.00 0.00 N ATOM 1766 CA HIS A 117 17.936 2.716 4.371 1.00 0.00 C ATOM 1767 C HIS A 117 18.926 3.831 4.694 1.00 0.00 C ATOM 1768 O HIS A 117 19.891 3.625 5.430 1.00 0.00 O ATOM 1769 CB HIS A 117 17.128 2.358 5.618 1.00 0.00 C ATOM 1770 CG HIS A 117 16.537 3.548 6.310 1.00 0.00 C ATOM 1771 ND1 HIS A 117 15.228 3.946 6.138 1.00 0.00 N ATOM 1772 CD2 HIS A 117 17.084 4.427 7.182 1.00 0.00 C ATOM 1773 CE1 HIS A 117 14.996 5.019 6.872 1.00 0.00 C ATOM 1774 NE2 HIS A 117 16.106 5.331 7.516 1.00 0.00 N ATOM 0 H HIS A 117 19.446 1.261 4.407 1.00 0.00 H new ATOM 0 HA HIS A 117 17.256 3.071 3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 117 16.326 1.675 5.338 1.00 0.00 H new ATOM 0 HB3 HIS A 117 17.771 1.824 6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 117 18.100 4.419 7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.058 5.551 6.935 1.00 0.00 H new ATOM 0 HE2 HIS A 117 16.218 6.116 8.157 1.00 0.00 H new ATOM 1782 N CYS A 118 18.679 5.013 4.138 1.00 0.00 N ATOM 1783 CA CYS A 118 19.548 6.161 4.365 1.00 0.00 C ATOM 1784 C CYS A 118 18.993 7.053 5.472 1.00 0.00 C ATOM 1785 O CYS A 118 17.793 7.330 5.518 1.00 0.00 O ATOM 1786 CB CYS A 118 19.708 6.969 3.076 1.00 0.00 C ATOM 1787 SG CYS A 118 20.667 8.506 3.275 1.00 0.00 S ATOM 0 H CYS A 118 17.884 5.200 3.527 1.00 0.00 H new ATOM 0 HA CYS A 118 20.524 5.790 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 118 20.194 6.345 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 118 18.719 7.218 2.691 1.00 0.00 H new ATOM 1792 N LEU A 119 19.873 7.500 6.361 1.00 0.00 N ATOM 1793 CA LEU A 119 19.471 8.362 7.468 1.00 0.00 C ATOM 1794 C LEU A 119 19.142 9.767 6.973 1.00 0.00 C ATOM 1795 O LEU A 119 17.986 10.188 6.989 1.00 0.00 O ATOM 1796 CB LEU A 119 20.581 8.425 8.519 1.00 0.00 C ATOM 1797 CG LEU A 119 20.794 7.158 9.347 1.00 0.00 C ATOM 1798 CD1 LEU A 119 22.117 7.225 10.095 1.00 0.00 C ATOM 1799 CD2 LEU A 119 19.641 6.956 10.319 1.00 0.00 C ATOM 0 H LEU A 119 20.869 7.280 6.337 1.00 0.00 H new ATOM 0 HA LEU A 119 18.574 7.938 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 119 21.517 8.668 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 119 20.363 9.248 9.200 1.00 0.00 H new ATOM 0 HG LEU A 119 20.826 6.305 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.251 6.314 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 119 22.934 7.322 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.114 8.087 10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 119 19.810 6.049 10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 119 19.578 7.812 10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 119 18.708 6.862 9.763 1.00 0.00 H new ATOM 1811 N LYS A 120 20.167 10.488 6.531 1.00 0.00 N ATOM 1812 CA LYS A 120 19.989 11.844 6.028 1.00 0.00 C ATOM 1813 C LYS A 120 18.679 11.970 5.255 1.00 0.00 C ATOM 1814 O LYS A 120 17.876 12.866 5.517 1.00 0.00 O ATOM 1815 CB LYS A 120 21.163 12.236 5.129 1.00 0.00 C ATOM 1816 CG LYS A 120 21.390 13.735 5.043 1.00 0.00 C ATOM 1817 CD LYS A 120 22.146 14.255 6.254 1.00 0.00 C ATOM 1818 CE LYS A 120 22.289 15.769 6.214 1.00 0.00 C ATOM 1819 NZ LYS A 120 21.052 16.455 6.682 1.00 0.00 N ATOM 0 H LYS A 120 21.131 10.155 6.511 1.00 0.00 H new ATOM 0 HA LYS A 120 19.953 12.519 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 120 22.070 11.761 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.988 11.846 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.949 13.968 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.430 14.245 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 120 21.623 13.962 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 120 23.134 13.796 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 120 23.130 16.071 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 120 22.517 16.086 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.189 17.485 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 20.254 16.187 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.848 16.173 7.662 1.00 0.00 H new ATOM 1833 N CYS A 121 18.470 11.066 4.304 1.00 0.00 N ATOM 1834 CA CYS A 121 17.258 11.074 3.494 1.00 0.00 C ATOM 1835 C CYS A 121 16.037 10.720 4.338 1.00 0.00 C ATOM 1836 O CYS A 121 14.946 11.246 4.122 1.00 0.00 O ATOM 1837 CB CYS A 121 17.390 10.089 2.331 1.00 0.00 C ATOM 1838 SG CYS A 121 18.602 10.590 1.067 1.00 0.00 S ATOM 0 H CYS A 121 19.125 10.318 4.075 1.00 0.00 H new ATOM 0 HA CYS A 121 17.124 12.080 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 121 17.675 9.114 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 121 16.415 9.970 1.858 1.00 0.00 H new ATOM 1843 N ASN A 122 16.230 9.825 5.302 1.00 0.00 N ATOM 1844 CA ASN A 122 15.145 9.400 6.179 1.00 0.00 C ATOM 1845 C ASN A 122 14.142 8.533 5.423 1.00 0.00 C ATOM 1846 O ASN A 122 12.934 8.622 5.647 1.00 0.00 O ATOM 1847 CB ASN A 122 14.435 10.618 6.774 1.00 0.00 C ATOM 1848 CG ASN A 122 13.674 10.282 8.041 1.00 0.00 C ATOM 1849 OD1 ASN A 122 14.202 9.629 8.941 1.00 0.00 O ATOM 1850 ND2 ASN A 122 12.425 10.728 8.117 1.00 0.00 N ATOM 0 H ASN A 122 17.127 9.380 5.495 1.00 0.00 H new ATOM 0 HA ASN A 122 15.575 8.808 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 122 15.170 11.394 6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 122 13.745 11.029 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 122 11.863 10.533 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 122 12.028 11.266 7.347 1.00 0.00 H new ATOM 1857 N LEU A 123 14.651 7.694 4.528 1.00 0.00 N ATOM 1858 CA LEU A 123 13.801 6.809 3.739 1.00 0.00 C ATOM 1859 C LEU A 123 14.584 5.594 3.251 1.00 0.00 C ATOM 1860 O LEU A 123 15.810 5.547 3.360 1.00 0.00 O ATOM 1861 CB LEU A 123 13.214 7.564 2.546 1.00 0.00 C ATOM 1862 CG LEU A 123 14.143 8.568 1.863 1.00 0.00 C ATOM 1863 CD1 LEU A 123 15.100 7.854 0.920 1.00 0.00 C ATOM 1864 CD2 LEU A 123 13.336 9.618 1.113 1.00 0.00 C ATOM 0 H LEU A 123 15.648 7.608 4.330 1.00 0.00 H new ATOM 0 HA LEU A 123 12.988 6.462 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 123 12.891 6.834 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 123 12.322 8.094 2.880 1.00 0.00 H new ATOM 0 HG LEU A 123 14.730 9.071 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 123 15.753 8.584 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 123 15.703 7.142 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.531 7.324 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 123 14.014 10.324 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.722 9.132 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 123 12.693 10.151 1.813 1.00 0.00 H new ATOM 1876 N CYS A 124 13.869 4.613 2.711 1.00 0.00 N ATOM 1877 CA CYS A 124 14.496 3.398 2.205 1.00 0.00 C ATOM 1878 C CYS A 124 14.934 3.577 0.754 1.00 0.00 C ATOM 1879 O CYS A 124 14.210 4.154 -0.059 1.00 0.00 O ATOM 1880 CB CYS A 124 13.530 2.217 2.315 1.00 0.00 C ATOM 1881 SG CYS A 124 13.207 1.678 4.025 1.00 0.00 S ATOM 0 H CYS A 124 12.854 4.636 2.613 1.00 0.00 H new ATOM 0 HA CYS A 124 15.379 3.194 2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 124 12.584 2.490 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 124 13.934 1.377 1.751 1.00 0.00 H new ATOM 1886 N LEU A 125 16.123 3.078 0.436 1.00 0.00 N ATOM 1887 CA LEU A 125 16.659 3.181 -0.917 1.00 0.00 C ATOM 1888 C LEU A 125 17.346 1.884 -1.332 1.00 0.00 C ATOM 1889 O LEU A 125 17.996 1.225 -0.519 1.00 0.00 O ATOM 1890 CB LEU A 125 17.647 4.346 -1.008 1.00 0.00 C ATOM 1891 CG LEU A 125 17.034 5.730 -1.228 1.00 0.00 C ATOM 1892 CD1 LEU A 125 18.081 6.815 -1.032 1.00 0.00 C ATOM 1893 CD2 LEU A 125 16.418 5.825 -2.617 1.00 0.00 C ATOM 0 H LEU A 125 16.735 2.598 1.096 1.00 0.00 H new ATOM 0 HA LEU A 125 15.827 3.363 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 125 18.233 4.372 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.342 4.144 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 125 16.245 5.878 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.626 7.793 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 125 18.476 6.761 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 125 18.892 6.671 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.986 6.816 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.189 5.655 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.637 5.071 -2.721 1.00 0.00 H new ATOM 1905 N THR A 126 17.201 1.523 -2.603 1.00 0.00 N ATOM 1906 CA THR A 126 17.808 0.306 -3.126 1.00 0.00 C ATOM 1907 C THR A 126 19.316 0.466 -3.280 1.00 0.00 C ATOM 1908 O THR A 126 19.810 1.558 -3.561 1.00 0.00 O ATOM 1909 CB THR A 126 17.202 -0.084 -4.488 1.00 0.00 C ATOM 1910 OG1 THR A 126 17.825 -1.276 -4.978 1.00 0.00 O ATOM 1911 CG2 THR A 126 17.377 1.039 -5.499 1.00 0.00 C ATOM 0 H THR A 126 16.668 2.057 -3.289 1.00 0.00 H new ATOM 0 HA THR A 126 17.601 -0.485 -2.405 1.00 0.00 H new ATOM 0 HB THR A 126 16.136 -0.263 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 126 17.835 -1.954 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 126 16.942 0.741 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 126 16.876 1.937 -5.136 1.00 0.00 H new ATOM 0 HG23 THR A 126 18.439 1.245 -5.634 1.00 0.00 H new ATOM 1919 N THR A 127 20.044 -0.631 -3.096 1.00 0.00 N ATOM 1920 CA THR A 127 21.497 -0.612 -3.214 1.00 0.00 C ATOM 1921 C THR A 127 21.935 0.078 -4.502 1.00 0.00 C ATOM 1922 O THR A 127 22.929 0.801 -4.522 1.00 0.00 O ATOM 1923 CB THR A 127 22.082 -2.037 -3.185 1.00 0.00 C ATOM 1924 OG1 THR A 127 21.600 -2.788 -4.305 1.00 0.00 O ATOM 1925 CG2 THR A 127 21.708 -2.748 -1.893 1.00 0.00 C ATOM 0 H THR A 127 19.651 -1.544 -2.865 1.00 0.00 H new ATOM 0 HA THR A 127 21.876 -0.054 -2.358 1.00 0.00 H new ATOM 0 HB THR A 127 23.168 -1.962 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 127 21.978 -3.692 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 127 22.132 -3.752 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 127 22.101 -2.190 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 127 20.623 -2.812 -1.814 1.00 0.00 H new ATOM 1933 N ASN A 128 21.185 -0.151 -5.575 1.00 0.00 N ATOM 1934 CA ASN A 128 21.496 0.449 -6.867 1.00 0.00 C ATOM 1935 C ASN A 128 21.654 1.961 -6.740 1.00 0.00 C ATOM 1936 O ASN A 128 22.407 2.583 -7.492 1.00 0.00 O ATOM 1937 CB ASN A 128 20.399 0.123 -7.882 1.00 0.00 C ATOM 1938 CG ASN A 128 20.816 0.438 -9.306 1.00 0.00 C ATOM 1939 OD1 ASN A 128 21.220 -0.450 -10.057 1.00 0.00 O ATOM 1940 ND2 ASN A 128 20.719 1.707 -9.683 1.00 0.00 N ATOM 0 H ASN A 128 20.358 -0.748 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 128 22.440 0.031 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 128 20.141 -0.933 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 128 19.500 0.689 -7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 128 20.985 1.980 -10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 128 20.379 2.409 -9.026 1.00 0.00 H new ATOM 1947 N LEU A 129 20.941 2.547 -5.785 1.00 0.00 N ATOM 1948 CA LEU A 129 21.002 3.987 -5.559 1.00 0.00 C ATOM 1949 C LEU A 129 21.766 4.305 -4.277 1.00 0.00 C ATOM 1950 O LEU A 129 21.323 5.116 -3.464 1.00 0.00 O ATOM 1951 CB LEU A 129 19.590 4.571 -5.483 1.00 0.00 C ATOM 1952 CG LEU A 129 18.745 4.449 -6.751 1.00 0.00 C ATOM 1953 CD1 LEU A 129 17.293 4.799 -6.460 1.00 0.00 C ATOM 1954 CD2 LEU A 129 19.300 5.343 -7.850 1.00 0.00 C ATOM 0 H LEU A 129 20.314 2.047 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 129 21.531 4.440 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 129 19.059 4.080 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 129 19.668 5.627 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 129 18.787 3.415 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.706 4.707 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 129 16.899 4.118 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 129 17.232 5.823 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 129 18.686 5.243 -8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 129 19.288 6.380 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 129 20.324 5.047 -8.078 1.00 0.00 H new ATOM 1966 N ARG A 130 22.916 3.662 -4.105 1.00 0.00 N ATOM 1967 CA ARG A 130 23.742 3.877 -2.923 1.00 0.00 C ATOM 1968 C ARG A 130 24.800 4.944 -3.186 1.00 0.00 C ATOM 1969 O ARG A 130 25.963 4.784 -2.816 1.00 0.00 O ATOM 1970 CB ARG A 130 24.415 2.569 -2.500 1.00 0.00 C ATOM 1971 CG ARG A 130 25.473 2.085 -3.478 1.00 0.00 C ATOM 1972 CD ARG A 130 25.731 0.594 -3.326 1.00 0.00 C ATOM 1973 NE ARG A 130 26.759 0.120 -4.249 1.00 0.00 N ATOM 1974 CZ ARG A 130 27.446 -1.003 -4.070 1.00 0.00 C ATOM 1975 NH1 ARG A 130 27.216 -1.763 -3.008 1.00 0.00 N ATOM 1976 NH2 ARG A 130 28.365 -1.368 -4.954 1.00 0.00 N ATOM 0 H ARG A 130 23.297 2.988 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 130 23.095 4.222 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 130 24.873 2.706 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 130 23.653 1.797 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 130 25.152 2.298 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 130 26.400 2.634 -3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 130 26.038 0.382 -2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 130 24.805 0.046 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 130 26.960 0.682 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 130 26.510 -1.486 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 130 27.745 -2.625 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 130 28.545 -0.786 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 130 28.892 -2.230 -4.815 1.00 0.00 H new ATOM 1990 N GLY A 131 24.389 6.033 -3.828 1.00 0.00 N ATOM 1991 CA GLY A 131 25.313 7.110 -4.130 1.00 0.00 C ATOM 1992 C GLY A 131 24.687 8.186 -4.995 1.00 0.00 C ATOM 1993 O GLY A 131 24.890 9.378 -4.761 1.00 0.00 O ATOM 0 H GLY A 131 23.432 6.189 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 131 25.664 7.555 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 131 26.187 6.703 -4.638 1.00 0.00 H new ATOM 1997 N LYS A 132 23.924 7.767 -5.999 1.00 0.00 N ATOM 1998 CA LYS A 132 23.265 8.702 -6.903 1.00 0.00 C ATOM 1999 C LYS A 132 22.238 9.548 -6.157 1.00 0.00 C ATOM 2000 O LYS A 132 22.113 10.749 -6.401 1.00 0.00 O ATOM 2001 CB LYS A 132 22.585 7.946 -8.046 1.00 0.00 C ATOM 2002 CG LYS A 132 22.022 8.854 -9.125 1.00 0.00 C ATOM 2003 CD LYS A 132 20.640 9.368 -8.756 1.00 0.00 C ATOM 2004 CE LYS A 132 19.909 9.922 -9.970 1.00 0.00 C ATOM 2005 NZ LYS A 132 18.706 10.709 -9.581 1.00 0.00 N ATOM 0 H LYS A 132 23.747 6.784 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 132 24.025 9.365 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 132 23.304 7.262 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 132 21.778 7.337 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 132 22.695 9.697 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 132 21.969 8.310 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 132 20.056 8.560 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 132 20.730 10.146 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 132 20.586 10.554 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 132 19.611 9.100 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 18.236 11.069 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 18.048 10.100 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 18.993 11.508 -8.981 1.00 0.00 H new ATOM 2019 N HIS A 133 21.507 8.915 -5.245 1.00 0.00 N ATOM 2020 CA HIS A 133 20.492 9.611 -4.462 1.00 0.00 C ATOM 2021 C HIS A 133 21.105 10.775 -3.689 1.00 0.00 C ATOM 2022 O HIS A 133 22.225 10.679 -3.186 1.00 0.00 O ATOM 2023 CB HIS A 133 19.813 8.643 -3.493 1.00 0.00 C ATOM 2024 CG HIS A 133 20.485 8.562 -2.157 1.00 0.00 C ATOM 2025 ND1 HIS A 133 21.084 7.414 -1.683 1.00 0.00 N ATOM 2026 CD2 HIS A 133 20.652 9.497 -1.192 1.00 0.00 C ATOM 2027 CE1 HIS A 133 21.589 7.646 -0.485 1.00 0.00 C ATOM 2028 NE2 HIS A 133 21.340 8.903 -0.164 1.00 0.00 N ATOM 0 H HIS A 133 21.598 7.922 -5.030 1.00 0.00 H new ATOM 0 HA HIS A 133 19.746 10.008 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 133 18.777 8.951 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 133 19.792 7.649 -3.941 1.00 0.00 H new ATOM 0 HD1 HIS A 133 21.130 6.524 -2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 133 20.308 10.520 -1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 133 22.116 6.930 0.128 1.00 0.00 H new ATOM 2036 N LYS A 134 20.365 11.875 -3.600 1.00 0.00 N ATOM 2037 CA LYS A 134 20.835 13.058 -2.889 1.00 0.00 C ATOM 2038 C LYS A 134 20.009 13.300 -1.629 1.00 0.00 C ATOM 2039 O LYS A 134 18.778 13.276 -1.667 1.00 0.00 O ATOM 2040 CB LYS A 134 20.766 14.286 -3.799 1.00 0.00 C ATOM 2041 CG LYS A 134 21.477 15.503 -3.234 1.00 0.00 C ATOM 2042 CD LYS A 134 21.516 16.643 -4.238 1.00 0.00 C ATOM 2043 CE LYS A 134 22.734 17.530 -4.027 1.00 0.00 C ATOM 2044 NZ LYS A 134 22.596 18.837 -4.728 1.00 0.00 N ATOM 0 H LYS A 134 19.437 11.972 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 134 21.871 12.887 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 134 21.204 14.036 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 134 19.720 14.537 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 134 20.970 15.833 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 134 22.494 15.232 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 134 21.530 16.238 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 134 20.609 17.241 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 134 22.877 17.703 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 134 23.625 17.016 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 23.285 19.513 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 22.773 18.706 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 21.634 19.206 -4.589 1.00 0.00 H new ATOM 2058 N CYS A 135 20.693 13.533 -0.514 1.00 0.00 N ATOM 2059 CA CYS A 135 20.023 13.780 0.757 1.00 0.00 C ATOM 2060 C CYS A 135 19.578 15.236 0.863 1.00 0.00 C ATOM 2061 O CYS A 135 18.384 15.525 0.949 1.00 0.00 O ATOM 2062 CB CYS A 135 20.952 13.433 1.922 1.00 0.00 C ATOM 2063 SG CYS A 135 21.902 11.897 1.684 1.00 0.00 S ATOM 0 H CYS A 135 21.712 13.556 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 135 19.139 13.144 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 135 21.648 14.258 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 135 20.358 13.343 2.832 1.00 0.00 H new ATOM 2068 N ILE A 136 20.545 16.147 0.856 1.00 0.00 N ATOM 2069 CA ILE A 136 20.252 17.572 0.950 1.00 0.00 C ATOM 2070 C ILE A 136 20.397 18.253 -0.406 1.00 0.00 C ATOM 2071 O ILE A 136 21.238 17.868 -1.218 1.00 0.00 O ATOM 2072 CB ILE A 136 21.177 18.270 1.964 1.00 0.00 C ATOM 2073 CG1 ILE A 136 20.738 19.721 2.172 1.00 0.00 C ATOM 2074 CG2 ILE A 136 22.622 18.211 1.493 1.00 0.00 C ATOM 2075 CD1 ILE A 136 21.256 20.331 3.456 1.00 0.00 C ATOM 0 H ILE A 136 21.538 15.924 0.786 1.00 0.00 H new ATOM 0 HA ILE A 136 19.220 17.661 1.290 1.00 0.00 H new ATOM 0 HB ILE A 136 21.105 17.747 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 136 21.083 20.321 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 136 19.649 19.766 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 136 23.263 18.709 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 136 22.929 17.170 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 136 22.711 18.712 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 136 20.906 21.360 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 136 20.890 19.755 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 136 22.346 20.318 3.451 1.00 0.00 H new ATOM 2087 N GLU A 137 19.573 19.269 -0.643 1.00 0.00 N ATOM 2088 CA GLU A 137 19.611 20.005 -1.901 1.00 0.00 C ATOM 2089 C GLU A 137 20.475 21.257 -1.774 1.00 0.00 C ATOM 2090 O GLU A 137 20.227 22.111 -0.923 1.00 0.00 O ATOM 2091 CB GLU A 137 18.195 20.392 -2.335 1.00 0.00 C ATOM 2092 CG GLU A 137 17.532 21.403 -1.415 1.00 0.00 C ATOM 2093 CD GLU A 137 16.079 21.650 -1.771 1.00 0.00 C ATOM 2094 OE1 GLU A 137 15.260 20.722 -1.603 1.00 0.00 O ATOM 2095 OE2 GLU A 137 15.761 22.772 -2.218 1.00 0.00 O ATOM 0 H GLU A 137 18.872 19.601 0.019 1.00 0.00 H new ATOM 0 HA GLU A 137 20.051 19.356 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 137 18.233 20.802 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 137 17.579 19.494 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 137 17.595 21.049 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 137 18.079 22.345 -1.462 1.00 0.00 H new ATOM 2102 N SER A 138 21.490 21.357 -2.626 1.00 0.00 N ATOM 2103 CA SER A 138 22.394 22.501 -2.606 1.00 0.00 C ATOM 2104 C SER A 138 22.151 23.407 -3.810 1.00 0.00 C ATOM 2105 O SER A 138 21.395 23.062 -4.718 1.00 0.00 O ATOM 2106 CB SER A 138 23.849 22.029 -2.596 1.00 0.00 C ATOM 2107 OG SER A 138 24.253 21.652 -1.291 1.00 0.00 O ATOM 0 H SER A 138 21.707 20.660 -3.338 1.00 0.00 H new ATOM 0 HA SER A 138 22.198 23.071 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 138 23.965 21.184 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 138 24.496 22.825 -2.965 1.00 0.00 H new ATOM 0 HG SER A 138 25.186 21.353 -1.311 1.00 0.00 H new ATOM 2113 N GLY A 139 22.798 24.568 -3.810 1.00 0.00 N ATOM 2114 CA GLY A 139 22.639 25.506 -4.906 1.00 0.00 C ATOM 2115 C GLY A 139 22.872 26.942 -4.479 1.00 0.00 C ATOM 2116 O GLY A 139 21.968 27.623 -3.997 1.00 0.00 O ATOM 0 H GLY A 139 23.430 24.876 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 139 23.336 25.250 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 139 21.634 25.411 -5.318 1.00 0.00 H new ATOM 2120 N PRO A 140 24.112 27.421 -4.655 1.00 0.00 N ATOM 2121 CA PRO A 140 24.491 28.790 -4.290 1.00 0.00 C ATOM 2122 C PRO A 140 23.853 29.831 -5.203 1.00 0.00 C ATOM 2123 O PRO A 140 23.464 30.909 -4.754 1.00 0.00 O ATOM 2124 CB PRO A 140 26.013 28.793 -4.456 1.00 0.00 C ATOM 2125 CG PRO A 140 26.287 27.721 -5.453 1.00 0.00 C ATOM 2126 CD PRO A 140 25.240 26.665 -5.225 1.00 0.00 C ATOM 0 HA PRO A 140 24.158 29.051 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 140 26.371 29.761 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 140 26.515 28.591 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.233 28.111 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 140 27.289 27.312 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 140 24.962 26.168 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.591 25.891 -4.542 1.00 0.00 H new ATOM 2134 N SER A 141 23.748 29.501 -6.486 1.00 0.00 N ATOM 2135 CA SER A 141 23.160 30.410 -7.463 1.00 0.00 C ATOM 2136 C SER A 141 23.589 31.849 -7.194 1.00 0.00 C ATOM 2137 O SER A 141 22.776 32.772 -7.250 1.00 0.00 O ATOM 2138 CB SER A 141 21.634 30.307 -7.433 1.00 0.00 C ATOM 2139 OG SER A 141 21.194 29.080 -7.988 1.00 0.00 O ATOM 0 H SER A 141 24.062 28.611 -6.873 1.00 0.00 H new ATOM 0 HA SER A 141 23.517 30.122 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 141 21.281 30.392 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 141 21.199 31.138 -7.989 1.00 0.00 H new ATOM 0 HG SER A 141 20.215 29.038 -7.955 1.00 0.00 H new ATOM 2145 N SER A 142 24.873 32.032 -6.902 1.00 0.00 N ATOM 2146 CA SER A 142 25.411 33.358 -6.620 1.00 0.00 C ATOM 2147 C SER A 142 25.326 34.252 -7.853 1.00 0.00 C ATOM 2148 O SER A 142 26.077 34.081 -8.812 1.00 0.00 O ATOM 2149 CB SER A 142 26.864 33.253 -6.152 1.00 0.00 C ATOM 2150 OG SER A 142 27.652 32.544 -7.093 1.00 0.00 O ATOM 0 H SER A 142 25.560 31.279 -6.855 1.00 0.00 H new ATOM 0 HA SER A 142 24.812 33.805 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 142 27.276 34.252 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 142 26.903 32.749 -5.186 1.00 0.00 H new ATOM 0 HG SER A 142 27.442 32.857 -7.998 1.00 0.00 H new ATOM 2156 N GLY A 143 24.403 35.209 -7.819 1.00 0.00 N ATOM 2157 CA GLY A 143 24.234 36.117 -8.939 1.00 0.00 C ATOM 2158 C GLY A 143 23.726 37.479 -8.510 1.00 0.00 C ATOM 2159 O GLY A 143 24.097 37.945 -7.434 1.00 0.00 O ATOM 0 H GLY A 143 23.770 35.372 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 143 25.187 36.234 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 143 23.536 35.681 -9.654 1.00 0.00 H new TER 2163 GLY A 143 HETATM 2164 ZN ZN A 191 -6.121 -3.011 -1.653 1.00 0.00 ZN HETATM 2165 ZN ZN A 241 -13.057 6.753 4.747 1.00 0.00 ZN HETATM 2166 ZN ZN A 291 -12.968 -15.592 10.830 1.00 0.00 ZN HETATM 2167 ZN ZN A 341 4.891 -2.020 8.803 1.00 0.00 ZN HETATM 2168 ZN ZN A 391 13.403 3.117 5.701 1.00 0.00 ZN HETATM 2169 ZN ZN A 441 20.799 9.948 1.577 1.00 0.00 ZN