USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 50 HIS HD1 : A 50 HIS ND1 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0692 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 MET CE :methyl -164:sc= -0.013 (180deg=-0.438) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -138:sc= -0.636 (180deg=-3.6!) USER MOD Single : A 33 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.51) USER MOD Single : A 36 ASN : amide:sc= -0.524 K(o=-0.52,f=-4.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.25) USER MOD Single : A 49 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.079) USER MOD Single : A 51 SER OG : rot 180:sc= -0.705 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.608 F(o=-2.8,f=-0.61) USER MOD Single : A 57 MET CE :methyl 165:sc= -0.0016 (180deg=-0.221) USER MOD Single : A 58 SER OG : rot 88:sc= 0.771 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00813) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 64 ASN : amide:sc= -3.11 K(o=-3.1,f=-15!) USER MOD Single : A 65 ASN : amide:sc= -0.629 K(o=-0.63,f=-4.7!) USER MOD Single : A 71 GLN : amide:sc= -6.31! C(o=-6.3!,f=-8.3!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0642) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.215 -43.785 12.847 1.00 0.00 N ATOM 2 CA GLY A 1 -10.977 -42.357 12.941 1.00 0.00 C ATOM 3 C GLY A 1 -9.968 -41.869 11.919 1.00 0.00 C ATOM 4 O GLY A 1 -9.578 -42.612 11.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.223 -43.957 12.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.645 -44.182 12.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.947 -44.241 13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.918 -41.825 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.621 -42.116 13.943 1.00 0.00 H new ATOM 8 N SER A 2 -9.546 -40.616 12.058 1.00 0.00 N ATOM 9 CA SER A 2 -8.581 -40.028 11.136 1.00 0.00 C ATOM 10 C SER A 2 -7.199 -40.643 11.332 1.00 0.00 C ATOM 11 O SER A 2 -6.988 -41.446 12.240 1.00 0.00 O ATOM 12 CB SER A 2 -8.511 -38.513 11.337 1.00 0.00 C ATOM 13 OG SER A 2 -8.003 -38.191 12.620 1.00 0.00 O ATOM 0 H SER A 2 -9.857 -39.989 12.800 1.00 0.00 H new ATOM 0 HA SER A 2 -8.912 -40.238 10.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.876 -38.070 10.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.504 -38.081 11.217 1.00 0.00 H new ATOM 0 HG SER A 2 -7.967 -37.217 12.722 1.00 0.00 H new ATOM 19 N SER A 3 -6.261 -40.259 10.472 1.00 0.00 N ATOM 20 CA SER A 3 -4.899 -40.775 10.547 1.00 0.00 C ATOM 21 C SER A 3 -3.882 -39.642 10.446 1.00 0.00 C ATOM 22 O SER A 3 -3.481 -39.248 9.352 1.00 0.00 O ATOM 23 CB SER A 3 -4.655 -41.795 9.433 1.00 0.00 C ATOM 24 OG SER A 3 -5.345 -43.006 9.690 1.00 0.00 O ATOM 0 H SER A 3 -6.419 -39.593 9.716 1.00 0.00 H new ATOM 0 HA SER A 3 -4.776 -41.266 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.982 -41.382 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.587 -41.993 9.345 1.00 0.00 H new ATOM 0 HG SER A 3 -5.174 -43.640 8.963 1.00 0.00 H new ATOM 30 N GLY A 4 -3.470 -39.121 11.598 1.00 0.00 N ATOM 31 CA GLY A 4 -2.504 -38.038 11.618 1.00 0.00 C ATOM 32 C GLY A 4 -3.016 -36.791 10.924 1.00 0.00 C ATOM 33 O GLY A 4 -4.112 -36.790 10.364 1.00 0.00 O ATOM 0 H GLY A 4 -3.788 -39.429 12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.253 -37.798 12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.584 -38.367 11.135 1.00 0.00 H new ATOM 37 N SER A 5 -2.222 -35.726 10.962 1.00 0.00 N ATOM 38 CA SER A 5 -2.603 -34.465 10.337 1.00 0.00 C ATOM 39 C SER A 5 -1.394 -33.787 9.700 1.00 0.00 C ATOM 40 O SER A 5 -0.312 -33.745 10.286 1.00 0.00 O ATOM 41 CB SER A 5 -3.242 -33.533 11.368 1.00 0.00 C ATOM 42 OG SER A 5 -3.616 -32.300 10.778 1.00 0.00 O ATOM 0 H SER A 5 -1.310 -35.711 11.419 1.00 0.00 H new ATOM 0 HA SER A 5 -3.330 -34.681 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.119 -34.013 11.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.541 -33.352 12.183 1.00 0.00 H new ATOM 0 HG SER A 5 -4.023 -31.723 11.457 1.00 0.00 H new ATOM 48 N SER A 6 -1.586 -33.257 8.496 1.00 0.00 N ATOM 49 CA SER A 6 -0.511 -32.584 7.777 1.00 0.00 C ATOM 50 C SER A 6 -0.558 -31.077 8.017 1.00 0.00 C ATOM 51 O SER A 6 -1.632 -30.488 8.127 1.00 0.00 O ATOM 52 CB SER A 6 -0.610 -32.876 6.279 1.00 0.00 C ATOM 53 OG SER A 6 -1.804 -32.344 5.733 1.00 0.00 O ATOM 0 H SER A 6 -2.476 -33.281 7.998 1.00 0.00 H new ATOM 0 HA SER A 6 0.439 -32.965 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.251 -32.449 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.579 -33.953 6.112 1.00 0.00 H new ATOM 0 HG SER A 6 -1.842 -32.543 4.774 1.00 0.00 H new ATOM 59 N GLY A 7 0.617 -30.461 8.097 1.00 0.00 N ATOM 60 CA GLY A 7 0.690 -29.029 8.323 1.00 0.00 C ATOM 61 C GLY A 7 1.479 -28.311 7.246 1.00 0.00 C ATOM 62 O GLY A 7 2.428 -28.863 6.691 1.00 0.00 O ATOM 0 H GLY A 7 1.520 -30.928 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.319 -28.619 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.150 -28.840 9.293 1.00 0.00 H new ATOM 66 N MET A 8 1.085 -27.077 6.949 1.00 0.00 N ATOM 67 CA MET A 8 1.763 -26.283 5.931 1.00 0.00 C ATOM 68 C MET A 8 2.752 -25.312 6.567 1.00 0.00 C ATOM 69 O MET A 8 2.882 -25.258 7.790 1.00 0.00 O ATOM 70 CB MET A 8 0.742 -25.512 5.091 1.00 0.00 C ATOM 71 CG MET A 8 -0.180 -24.629 5.916 1.00 0.00 C ATOM 72 SD MET A 8 -1.219 -23.566 4.896 1.00 0.00 S ATOM 73 CE MET A 8 -0.585 -21.949 5.337 1.00 0.00 C ATOM 0 H MET A 8 0.300 -26.605 7.399 1.00 0.00 H new ATOM 0 HA MET A 8 2.316 -26.964 5.284 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.272 -24.893 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.140 -26.222 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.814 -25.257 6.542 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.418 -24.011 6.586 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.292 -21.182 5.021 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.449 -21.894 6.417 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.372 -21.786 4.842 1.00 0.00 H new ATOM 83 N TRP A 9 3.445 -24.548 5.731 1.00 0.00 N ATOM 84 CA TRP A 9 4.423 -23.580 6.214 1.00 0.00 C ATOM 85 C TRP A 9 3.795 -22.198 6.360 1.00 0.00 C ATOM 86 O TRP A 9 2.632 -21.995 6.010 1.00 0.00 O ATOM 87 CB TRP A 9 5.618 -23.512 5.261 1.00 0.00 C ATOM 88 CG TRP A 9 5.945 -24.829 4.624 1.00 0.00 C ATOM 89 CD1 TRP A 9 6.970 -25.667 4.956 1.00 0.00 C ATOM 90 CD2 TRP A 9 5.244 -25.456 3.544 1.00 0.00 C ATOM 91 NE1 TRP A 9 6.949 -26.778 4.147 1.00 0.00 N ATOM 92 CE2 TRP A 9 5.899 -26.673 3.273 1.00 0.00 C ATOM 93 CE3 TRP A 9 4.126 -25.109 2.781 1.00 0.00 C ATOM 94 CZ2 TRP A 9 5.473 -27.541 2.272 1.00 0.00 C ATOM 95 CZ3 TRP A 9 3.704 -25.971 1.787 1.00 0.00 C ATOM 96 CH2 TRP A 9 4.376 -27.176 1.540 1.00 0.00 C ATOM 0 H TRP A 9 3.348 -24.580 4.716 1.00 0.00 H new ATOM 0 HA TRP A 9 4.767 -23.908 7.195 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.410 -22.781 4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.490 -23.155 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.691 -25.484 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.608 -27.555 4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.601 -24.183 2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 5.990 -28.470 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.842 -25.712 1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.021 -27.829 0.757 1.00 0.00 H new ATOM 107 N SER A 10 4.570 -21.252 6.878 1.00 0.00 N ATOM 108 CA SER A 10 4.087 -19.890 7.073 1.00 0.00 C ATOM 109 C SER A 10 3.795 -19.220 5.734 1.00 0.00 C ATOM 110 O SER A 10 4.099 -19.767 4.674 1.00 0.00 O ATOM 111 CB SER A 10 5.115 -19.068 7.854 1.00 0.00 C ATOM 112 OG SER A 10 6.300 -18.885 7.099 1.00 0.00 O ATOM 0 H SER A 10 5.535 -21.403 7.171 1.00 0.00 H new ATOM 0 HA SER A 10 3.161 -19.938 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.690 -18.098 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.351 -19.571 8.792 1.00 0.00 H new ATOM 0 HG SER A 10 6.940 -18.356 7.619 1.00 0.00 H new ATOM 118 N TRP A 11 3.204 -18.032 5.791 1.00 0.00 N ATOM 119 CA TRP A 11 2.870 -17.286 4.583 1.00 0.00 C ATOM 120 C TRP A 11 4.099 -17.101 3.700 1.00 0.00 C ATOM 121 O TRP A 11 5.162 -17.657 3.976 1.00 0.00 O ATOM 122 CB TRP A 11 2.279 -15.923 4.947 1.00 0.00 C ATOM 123 CG TRP A 11 2.779 -15.389 6.255 1.00 0.00 C ATOM 124 CD1 TRP A 11 4.013 -14.860 6.505 1.00 0.00 C ATOM 125 CD2 TRP A 11 2.059 -15.333 7.490 1.00 0.00 C ATOM 126 NE1 TRP A 11 4.103 -14.479 7.823 1.00 0.00 N ATOM 127 CE2 TRP A 11 2.917 -14.758 8.448 1.00 0.00 C ATOM 128 CE3 TRP A 11 0.771 -15.712 7.881 1.00 0.00 C ATOM 129 CZ2 TRP A 11 2.528 -14.555 9.769 1.00 0.00 C ATOM 130 CZ3 TRP A 11 0.387 -15.509 9.193 1.00 0.00 C ATOM 131 CH2 TRP A 11 1.262 -14.935 10.124 1.00 0.00 C ATOM 0 H TRP A 11 2.946 -17.565 6.660 1.00 0.00 H new ATOM 0 HA TRP A 11 2.128 -17.859 4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.516 -15.210 4.157 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.193 -16.005 4.988 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.802 -14.756 5.775 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.920 -14.057 8.264 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.089 -16.155 7.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.201 -14.113 10.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.605 -15.798 9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.931 -14.789 11.142 1.00 0.00 H new ATOM 142 N ASP A 12 3.948 -16.316 2.639 1.00 0.00 N ATOM 143 CA ASP A 12 5.047 -16.057 1.716 1.00 0.00 C ATOM 144 C ASP A 12 5.455 -14.588 1.757 1.00 0.00 C ATOM 145 O ASP A 12 5.666 -13.962 0.718 1.00 0.00 O ATOM 146 CB ASP A 12 4.649 -16.450 0.292 1.00 0.00 C ATOM 147 CG ASP A 12 4.552 -17.952 0.111 1.00 0.00 C ATOM 148 OD1 ASP A 12 5.601 -18.627 0.177 1.00 0.00 O ATOM 149 OD2 ASP A 12 3.427 -18.452 -0.095 1.00 0.00 O ATOM 0 H ASP A 12 3.075 -15.848 2.397 1.00 0.00 H new ATOM 0 HA ASP A 12 5.900 -16.661 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.689 -15.995 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.380 -16.049 -0.410 1.00 0.00 H new ATOM 154 N VAL A 13 5.565 -14.043 2.964 1.00 0.00 N ATOM 155 CA VAL A 13 5.948 -12.647 3.141 1.00 0.00 C ATOM 156 C VAL A 13 7.458 -12.472 3.020 1.00 0.00 C ATOM 157 O VAL A 13 8.081 -11.794 3.837 1.00 0.00 O ATOM 158 CB VAL A 13 5.487 -12.107 4.508 1.00 0.00 C ATOM 159 CG1 VAL A 13 3.997 -12.345 4.702 1.00 0.00 C ATOM 160 CG2 VAL A 13 6.289 -12.748 5.631 1.00 0.00 C ATOM 0 H VAL A 13 5.394 -14.547 3.834 1.00 0.00 H new ATOM 0 HA VAL A 13 5.455 -12.081 2.351 1.00 0.00 H new ATOM 0 HB VAL A 13 5.664 -11.032 4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.690 -11.957 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.442 -11.835 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.790 -13.414 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.951 -12.355 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.145 -13.828 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.347 -12.520 5.499 1.00 0.00 H new ATOM 170 N GLU A 14 8.039 -13.088 1.996 1.00 0.00 N ATOM 171 CA GLU A 14 9.477 -13.000 1.769 1.00 0.00 C ATOM 172 C GLU A 14 9.782 -12.164 0.529 1.00 0.00 C ATOM 173 O GLU A 14 10.863 -12.268 -0.052 1.00 0.00 O ATOM 174 CB GLU A 14 10.078 -14.399 1.614 1.00 0.00 C ATOM 175 CG GLU A 14 10.362 -15.089 2.938 1.00 0.00 C ATOM 176 CD GLU A 14 11.460 -16.129 2.830 1.00 0.00 C ATOM 177 OE1 GLU A 14 12.632 -15.737 2.651 1.00 0.00 O ATOM 178 OE2 GLU A 14 11.148 -17.334 2.925 1.00 0.00 O ATOM 0 H GLU A 14 7.537 -13.653 1.311 1.00 0.00 H new ATOM 0 HA GLU A 14 9.926 -12.513 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.394 -15.016 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.005 -14.326 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.646 -14.342 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.450 -15.565 3.298 1.00 0.00 H new ATOM 185 N CYS A 15 8.822 -11.337 0.130 1.00 0.00 N ATOM 186 CA CYS A 15 8.987 -10.483 -1.041 1.00 0.00 C ATOM 187 C CYS A 15 9.475 -9.096 -0.639 1.00 0.00 C ATOM 188 O CYS A 15 9.772 -8.846 0.529 1.00 0.00 O ATOM 189 CB CYS A 15 7.667 -10.371 -1.806 1.00 0.00 C ATOM 190 SG CYS A 15 7.304 -11.790 -2.865 1.00 0.00 S ATOM 0 H CYS A 15 7.922 -11.240 0.600 1.00 0.00 H new ATOM 0 HA CYS A 15 9.737 -10.938 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.854 -10.248 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.690 -9.470 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 15 6.167 -11.602 -3.467 1.00 0.00 H new ATOM 196 N ASP A 16 9.558 -8.197 -1.614 1.00 0.00 N ATOM 197 CA ASP A 16 10.011 -6.835 -1.362 1.00 0.00 C ATOM 198 C ASP A 16 8.883 -5.985 -0.784 1.00 0.00 C ATOM 199 O ASP A 16 8.781 -4.791 -1.069 1.00 0.00 O ATOM 200 CB ASP A 16 10.533 -6.201 -2.652 1.00 0.00 C ATOM 201 CG ASP A 16 11.479 -5.046 -2.389 1.00 0.00 C ATOM 202 OD1 ASP A 16 12.547 -5.280 -1.787 1.00 0.00 O ATOM 203 OD2 ASP A 16 11.150 -3.907 -2.784 1.00 0.00 O ATOM 0 H ASP A 16 9.317 -8.388 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 16 10.821 -6.877 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.046 -6.959 -3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.690 -5.848 -3.247 1.00 0.00 H new ATOM 208 N THR A 17 8.037 -6.609 0.030 1.00 0.00 N ATOM 209 CA THR A 17 6.916 -5.911 0.647 1.00 0.00 C ATOM 210 C THR A 17 7.254 -4.448 0.907 1.00 0.00 C ATOM 211 O THR A 17 8.161 -4.137 1.679 1.00 0.00 O ATOM 212 CB THR A 17 6.503 -6.574 1.974 1.00 0.00 C ATOM 213 OG1 THR A 17 5.893 -7.844 1.719 1.00 0.00 O ATOM 214 CG2 THR A 17 5.536 -5.687 2.745 1.00 0.00 C ATOM 0 H THR A 17 8.107 -7.596 0.277 1.00 0.00 H new ATOM 0 HA THR A 17 6.084 -5.969 -0.054 1.00 0.00 H new ATOM 0 HB THR A 17 7.400 -6.717 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.635 -8.259 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.259 -6.177 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.014 -4.732 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.642 -5.516 2.145 1.00 0.00 H new ATOM 222 N CYS A 18 6.519 -3.551 0.257 1.00 0.00 N ATOM 223 CA CYS A 18 6.741 -2.119 0.418 1.00 0.00 C ATOM 224 C CYS A 18 6.956 -1.763 1.886 1.00 0.00 C ATOM 225 O CYS A 18 6.045 -1.882 2.704 1.00 0.00 O ATOM 226 CB CYS A 18 5.553 -1.332 -0.140 1.00 0.00 C ATOM 227 SG CYS A 18 5.662 0.467 0.126 1.00 0.00 S ATOM 0 H CYS A 18 5.765 -3.791 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 18 7.640 -1.851 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.472 -1.526 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.637 -1.702 0.321 1.00 0.00 H new ATOM 232 N ALA A 19 8.168 -1.326 2.211 1.00 0.00 N ATOM 233 CA ALA A 19 8.503 -0.951 3.579 1.00 0.00 C ATOM 234 C ALA A 19 7.844 0.369 3.964 1.00 0.00 C ATOM 235 O ALA A 19 7.507 0.590 5.127 1.00 0.00 O ATOM 236 CB ALA A 19 10.012 -0.857 3.747 1.00 0.00 C ATOM 0 H ALA A 19 8.934 -1.223 1.546 1.00 0.00 H new ATOM 0 HA ALA A 19 8.122 -1.726 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.247 -0.576 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.464 -1.823 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.408 -0.104 3.065 1.00 0.00 H new ATOM 242 N ILE A 20 7.663 1.244 2.979 1.00 0.00 N ATOM 243 CA ILE A 20 7.043 2.542 3.215 1.00 0.00 C ATOM 244 C ILE A 20 5.719 2.392 3.956 1.00 0.00 C ATOM 245 O ILE A 20 5.446 3.116 4.914 1.00 0.00 O ATOM 246 CB ILE A 20 6.798 3.297 1.895 1.00 0.00 C ATOM 247 CG1 ILE A 20 8.102 3.425 1.106 1.00 0.00 C ATOM 248 CG2 ILE A 20 6.203 4.669 2.173 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.899 3.473 -0.392 1.00 0.00 C ATOM 0 H ILE A 20 7.937 1.077 2.011 1.00 0.00 H new ATOM 0 HA ILE A 20 7.737 3.116 3.829 1.00 0.00 H new ATOM 0 HB ILE A 20 6.087 2.729 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.622 4.329 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.749 2.583 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.035 5.191 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.255 4.555 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.892 5.246 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.866 3.564 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.407 2.558 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.278 4.331 -0.648 1.00 0.00 H new ATOM 261 N CYS A 21 4.900 1.447 3.508 1.00 0.00 N ATOM 262 CA CYS A 21 3.604 1.200 4.128 1.00 0.00 C ATOM 263 C CYS A 21 3.547 -0.201 4.730 1.00 0.00 C ATOM 264 O CYS A 21 2.601 -0.545 5.439 1.00 0.00 O ATOM 265 CB CYS A 21 2.483 1.372 3.101 1.00 0.00 C ATOM 266 SG CYS A 21 2.509 0.141 1.759 1.00 0.00 S ATOM 0 H CYS A 21 5.111 0.839 2.717 1.00 0.00 H new ATOM 0 HA CYS A 21 3.468 1.926 4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.523 1.314 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.553 2.369 2.666 1.00 0.00 H new ATOM 271 N ARG A 22 4.566 -1.004 4.443 1.00 0.00 N ATOM 272 CA ARG A 22 4.632 -2.368 4.955 1.00 0.00 C ATOM 273 C ARG A 22 3.504 -3.219 4.380 1.00 0.00 C ATOM 274 O ARG A 22 2.893 -4.019 5.088 1.00 0.00 O ATOM 275 CB ARG A 22 4.557 -2.366 6.483 1.00 0.00 C ATOM 276 CG ARG A 22 5.644 -1.535 7.145 1.00 0.00 C ATOM 277 CD ARG A 22 6.998 -2.222 7.062 1.00 0.00 C ATOM 278 NE ARG A 22 7.203 -3.162 8.160 1.00 0.00 N ATOM 279 CZ ARG A 22 8.244 -3.984 8.239 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.168 -3.982 7.289 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.361 -4.812 9.270 1.00 0.00 N ATOM 0 H ARG A 22 5.357 -0.734 3.859 1.00 0.00 H new ATOM 0 HA ARG A 22 5.584 -2.800 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.583 -1.985 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.626 -3.392 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.700 -0.558 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.386 -1.362 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.078 -2.751 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.787 -1.470 7.076 1.00 0.00 H new ATOM 0 HE ARG A 22 6.509 -3.189 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.081 -3.348 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.966 -4.614 7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.651 -4.818 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.161 -5.443 9.330 1.00 0.00 H new ATOM 295 N VAL A 23 3.233 -3.041 3.091 1.00 0.00 N ATOM 296 CA VAL A 23 2.180 -3.793 2.420 1.00 0.00 C ATOM 297 C VAL A 23 2.709 -4.486 1.170 1.00 0.00 C ATOM 298 O VAL A 23 3.591 -3.965 0.486 1.00 0.00 O ATOM 299 CB VAL A 23 1.001 -2.882 2.029 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.110 -3.694 1.381 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.484 -2.129 3.245 1.00 0.00 C ATOM 0 H VAL A 23 3.729 -2.382 2.490 1.00 0.00 H new ATOM 0 HA VAL A 23 1.830 -4.545 3.127 1.00 0.00 H new ATOM 0 HB VAL A 23 1.355 -2.151 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.934 -3.033 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.272 -4.182 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.465 -4.449 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.349 -1.490 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.146 -2.841 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.283 -1.515 3.660 1.00 0.00 H new ATOM 311 N GLN A 24 2.165 -5.663 0.876 1.00 0.00 N ATOM 312 CA GLN A 24 2.584 -6.427 -0.293 1.00 0.00 C ATOM 313 C GLN A 24 2.743 -5.519 -1.508 1.00 0.00 C ATOM 314 O GLN A 24 1.758 -5.112 -2.125 1.00 0.00 O ATOM 315 CB GLN A 24 1.571 -7.532 -0.596 1.00 0.00 C ATOM 316 CG GLN A 24 1.770 -8.786 0.240 1.00 0.00 C ATOM 317 CD GLN A 24 2.886 -9.667 -0.286 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.826 -10.158 -1.414 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.914 -9.871 0.530 1.00 0.00 N ATOM 0 H GLN A 24 1.434 -6.108 1.431 1.00 0.00 H new ATOM 0 HA GLN A 24 3.550 -6.881 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.565 -7.148 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.638 -7.795 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.991 -8.501 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.841 -9.356 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.922 -9.444 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.695 -10.454 0.230 1.00 0.00 H new ATOM 328 N VAL A 25 3.989 -5.205 -1.848 1.00 0.00 N ATOM 329 CA VAL A 25 4.277 -4.346 -2.990 1.00 0.00 C ATOM 330 C VAL A 25 3.410 -4.716 -4.188 1.00 0.00 C ATOM 331 O VAL A 25 2.812 -3.849 -4.826 1.00 0.00 O ATOM 332 CB VAL A 25 5.760 -4.433 -3.398 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.175 -5.882 -3.597 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.014 -3.618 -4.657 1.00 0.00 C ATOM 0 H VAL A 25 4.816 -5.533 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 25 4.051 -3.325 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 25 6.366 -4.015 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.225 -5.923 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.032 -6.433 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.566 -6.330 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.066 -3.690 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.400 -4.004 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.758 -2.575 -4.473 1.00 0.00 H new ATOM 344 N MET A 26 3.345 -6.009 -4.489 1.00 0.00 N ATOM 345 CA MET A 26 2.549 -6.494 -5.610 1.00 0.00 C ATOM 346 C MET A 26 1.096 -6.048 -5.478 1.00 0.00 C ATOM 347 O MET A 26 0.432 -5.762 -6.474 1.00 0.00 O ATOM 348 CB MET A 26 2.621 -8.020 -5.692 1.00 0.00 C ATOM 349 CG MET A 26 4.006 -8.545 -6.030 1.00 0.00 C ATOM 350 SD MET A 26 4.293 -8.657 -7.807 1.00 0.00 S ATOM 351 CE MET A 26 5.373 -7.251 -8.064 1.00 0.00 C ATOM 0 H MET A 26 3.834 -6.740 -3.972 1.00 0.00 H new ATOM 0 HA MET A 26 2.959 -6.069 -6.526 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.304 -8.442 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.915 -8.369 -6.446 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.756 -7.891 -5.585 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.136 -9.530 -5.582 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.080 -6.729 -8.975 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.294 -6.572 -7.215 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.403 -7.596 -8.159 1.00 0.00 H new ATOM 361 N ASP A 27 0.609 -5.991 -4.243 1.00 0.00 N ATOM 362 CA ASP A 27 -0.765 -5.579 -3.981 1.00 0.00 C ATOM 363 C ASP A 27 -0.831 -4.094 -3.638 1.00 0.00 C ATOM 364 O ASP A 27 0.196 -3.448 -3.432 1.00 0.00 O ATOM 365 CB ASP A 27 -1.359 -6.406 -2.840 1.00 0.00 C ATOM 366 CG ASP A 27 -1.931 -7.726 -3.319 1.00 0.00 C ATOM 367 OD1 ASP A 27 -1.442 -8.248 -4.342 1.00 0.00 O ATOM 368 OD2 ASP A 27 -2.867 -8.236 -2.669 1.00 0.00 O ATOM 0 H ASP A 27 1.146 -6.225 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.349 -5.751 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.588 -6.597 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.143 -5.831 -2.348 1.00 0.00 H new ATOM 373 N ALA A 28 -2.046 -3.559 -3.579 1.00 0.00 N ATOM 374 CA ALA A 28 -2.246 -2.150 -3.260 1.00 0.00 C ATOM 375 C ALA A 28 -2.023 -1.887 -1.775 1.00 0.00 C ATOM 376 O ALA A 28 -2.255 -2.760 -0.938 1.00 0.00 O ATOM 377 CB ALA A 28 -3.642 -1.709 -3.673 1.00 0.00 C ATOM 0 H ALA A 28 -2.907 -4.080 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.513 -1.568 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.778 -0.655 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.766 -1.852 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.384 -2.303 -3.140 1.00 0.00 H new ATOM 383 N CYS A 29 -1.571 -0.679 -1.454 1.00 0.00 N ATOM 384 CA CYS A 29 -1.315 -0.301 -0.070 1.00 0.00 C ATOM 385 C CYS A 29 -2.623 -0.131 0.698 1.00 0.00 C ATOM 386 O CYS A 29 -3.686 0.051 0.103 1.00 0.00 O ATOM 387 CB CYS A 29 -0.507 0.997 -0.015 1.00 0.00 C ATOM 388 SG CYS A 29 -1.346 2.428 -0.768 1.00 0.00 S ATOM 0 H CYS A 29 -1.375 0.055 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.740 -1.100 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.282 1.228 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.446 0.841 -0.520 1.00 0.00 H new ATOM 393 N LEU A 30 -2.537 -0.192 2.023 1.00 0.00 N ATOM 394 CA LEU A 30 -3.713 -0.045 2.873 1.00 0.00 C ATOM 395 C LEU A 30 -4.413 1.284 2.610 1.00 0.00 C ATOM 396 O LEU A 30 -5.563 1.480 3.003 1.00 0.00 O ATOM 397 CB LEU A 30 -3.315 -0.142 4.347 1.00 0.00 C ATOM 398 CG LEU A 30 -3.197 -1.555 4.919 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.551 -1.521 6.295 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.565 -2.219 4.987 1.00 0.00 C ATOM 0 H LEU A 30 -1.665 -0.342 2.531 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.406 -0.852 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.358 0.362 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.048 0.407 4.937 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.562 -2.143 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.475 -2.535 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.554 -1.086 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.160 -0.917 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.462 -3.224 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.223 -1.632 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.991 -2.277 3.986 1.00 0.00 H new ATOM 412 N ARG A 31 -3.713 2.193 1.939 1.00 0.00 N ATOM 413 CA ARG A 31 -4.267 3.503 1.622 1.00 0.00 C ATOM 414 C ARG A 31 -5.104 3.445 0.347 1.00 0.00 C ATOM 415 O ARG A 31 -6.138 4.105 0.239 1.00 0.00 O ATOM 416 CB ARG A 31 -3.145 4.531 1.462 1.00 0.00 C ATOM 417 CG ARG A 31 -2.173 4.558 2.630 1.00 0.00 C ATOM 418 CD ARG A 31 -0.980 3.648 2.384 1.00 0.00 C ATOM 419 NE ARG A 31 0.142 3.968 3.262 1.00 0.00 N ATOM 420 CZ ARG A 31 0.822 5.108 3.201 1.00 0.00 C ATOM 421 NH1 ARG A 31 0.494 6.032 2.309 1.00 0.00 N ATOM 422 NH2 ARG A 31 1.831 5.325 4.035 1.00 0.00 N ATOM 0 H ARG A 31 -2.761 2.046 1.604 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.912 3.806 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.594 4.315 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.585 5.521 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.826 5.578 2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.687 4.248 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.277 2.611 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.664 3.737 1.345 1.00 0.00 H new ATOM 0 HE ARG A 31 0.419 3.278 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.282 5.869 1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.018 6.906 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.085 4.617 4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.353 6.200 3.988 1.00 0.00 H new ATOM 436 N CYS A 32 -4.650 2.651 -0.617 1.00 0.00 N ATOM 437 CA CYS A 32 -5.354 2.507 -1.885 1.00 0.00 C ATOM 438 C CYS A 32 -6.466 1.468 -1.774 1.00 0.00 C ATOM 439 O CYS A 32 -7.536 1.625 -2.362 1.00 0.00 O ATOM 440 CB CYS A 32 -4.377 2.108 -2.993 1.00 0.00 C ATOM 441 SG CYS A 32 -3.300 3.464 -3.557 1.00 0.00 S ATOM 0 H CYS A 32 -3.797 2.097 -0.544 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.802 3.469 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.754 1.288 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.944 1.730 -3.844 1.00 0.00 H new ATOM 446 N GLN A 33 -6.204 0.408 -1.016 1.00 0.00 N ATOM 447 CA GLN A 33 -7.183 -0.657 -0.829 1.00 0.00 C ATOM 448 C GLN A 33 -8.457 -0.119 -0.186 1.00 0.00 C ATOM 449 O GLN A 33 -9.553 -0.614 -0.447 1.00 0.00 O ATOM 450 CB GLN A 33 -6.594 -1.774 0.035 1.00 0.00 C ATOM 451 CG GLN A 33 -5.422 -2.492 -0.615 1.00 0.00 C ATOM 452 CD GLN A 33 -5.113 -3.821 0.045 1.00 0.00 C ATOM 453 OE1 GLN A 33 -5.931 -4.741 0.028 1.00 0.00 O ATOM 454 NE2 GLN A 33 -3.927 -3.929 0.633 1.00 0.00 N ATOM 0 H GLN A 33 -5.323 0.264 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.435 -1.060 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.269 -1.353 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.376 -2.500 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.642 -2.657 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.539 -1.854 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.279 -3.141 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.664 -4.800 1.094 1.00 0.00 H new ATOM 463 N ALA A 34 -8.304 0.898 0.657 1.00 0.00 N ATOM 464 CA ALA A 34 -9.442 1.504 1.336 1.00 0.00 C ATOM 465 C ALA A 34 -10.326 2.265 0.354 1.00 0.00 C ATOM 466 O ALA A 34 -11.551 2.152 0.391 1.00 0.00 O ATOM 467 CB ALA A 34 -8.964 2.430 2.444 1.00 0.00 C ATOM 0 H ALA A 34 -7.403 1.319 0.885 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.038 0.705 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.825 2.876 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.380 1.861 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.344 3.218 2.017 1.00 0.00 H new ATOM 473 N GLU A 35 -9.697 3.040 -0.524 1.00 0.00 N ATOM 474 CA GLU A 35 -10.428 3.821 -1.515 1.00 0.00 C ATOM 475 C GLU A 35 -10.548 3.055 -2.830 1.00 0.00 C ATOM 476 O GLU A 35 -11.061 3.577 -3.819 1.00 0.00 O ATOM 477 CB GLU A 35 -9.732 5.162 -1.755 1.00 0.00 C ATOM 478 CG GLU A 35 -10.097 6.228 -0.736 1.00 0.00 C ATOM 479 CD GLU A 35 -11.306 7.044 -1.153 1.00 0.00 C ATOM 480 OE1 GLU A 35 -12.442 6.598 -0.887 1.00 0.00 O ATOM 481 OE2 GLU A 35 -11.116 8.127 -1.744 1.00 0.00 O ATOM 0 H GLU A 35 -8.683 3.144 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.430 4.005 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.653 5.010 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.988 5.521 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.297 5.754 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.246 6.894 -0.592 1.00 0.00 H new ATOM 488 N ASN A 36 -10.071 1.815 -2.831 1.00 0.00 N ATOM 489 CA ASN A 36 -10.124 0.977 -4.024 1.00 0.00 C ATOM 490 C ASN A 36 -9.404 1.646 -5.191 1.00 0.00 C ATOM 491 O ASN A 36 -9.860 1.586 -6.333 1.00 0.00 O ATOM 492 CB ASN A 36 -11.577 0.687 -4.405 1.00 0.00 C ATOM 493 CG ASN A 36 -12.341 -0.003 -3.291 1.00 0.00 C ATOM 494 OD1 ASN A 36 -11.962 0.077 -2.122 1.00 0.00 O ATOM 495 ND2 ASN A 36 -13.422 -0.685 -3.649 1.00 0.00 N ATOM 0 H ASN A 36 -9.644 1.368 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.620 0.037 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.076 1.622 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.598 0.062 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.976 -1.170 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.699 -0.724 -4.630 1.00 0.00 H new ATOM 502 N LYS A 37 -8.276 2.283 -4.896 1.00 0.00 N ATOM 503 CA LYS A 37 -7.490 2.962 -5.919 1.00 0.00 C ATOM 504 C LYS A 37 -6.427 2.033 -6.495 1.00 0.00 C ATOM 505 O LYS A 37 -5.496 2.480 -7.164 1.00 0.00 O ATOM 506 CB LYS A 37 -6.828 4.213 -5.336 1.00 0.00 C ATOM 507 CG LYS A 37 -7.799 5.139 -4.624 1.00 0.00 C ATOM 508 CD LYS A 37 -7.239 6.546 -4.502 1.00 0.00 C ATOM 509 CE LYS A 37 -6.437 6.718 -3.221 1.00 0.00 C ATOM 510 NZ LYS A 37 -5.801 8.063 -3.141 1.00 0.00 N ATOM 0 H LYS A 37 -7.885 2.343 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.164 3.256 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.049 3.909 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.338 4.763 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.742 5.168 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.017 4.746 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.604 6.762 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.056 7.267 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.091 6.574 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.667 5.948 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.264 8.141 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.157 8.191 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.537 8.797 -3.165 1.00 0.00 H new ATOM 524 N GLN A 38 -6.573 0.738 -6.231 1.00 0.00 N ATOM 525 CA GLN A 38 -5.625 -0.254 -6.724 1.00 0.00 C ATOM 526 C GLN A 38 -5.280 0.004 -8.187 1.00 0.00 C ATOM 527 O GLN A 38 -4.110 0.009 -8.567 1.00 0.00 O ATOM 528 CB GLN A 38 -6.198 -1.663 -6.563 1.00 0.00 C ATOM 529 CG GLN A 38 -6.551 -2.015 -5.127 1.00 0.00 C ATOM 530 CD GLN A 38 -7.717 -2.979 -5.033 1.00 0.00 C ATOM 531 OE1 GLN A 38 -7.906 -3.830 -5.902 1.00 0.00 O ATOM 532 NE2 GLN A 38 -8.508 -2.851 -3.973 1.00 0.00 N ATOM 0 H GLN A 38 -7.339 0.352 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.712 -0.172 -6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.091 -1.756 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.474 -2.386 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.681 -2.455 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.794 -1.103 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.315 -2.132 -3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.308 -3.472 -3.856 1.00 0.00 H new ATOM 541 N GLU A 39 -6.308 0.215 -9.004 1.00 0.00 N ATOM 542 CA GLU A 39 -6.112 0.472 -10.426 1.00 0.00 C ATOM 543 C GLU A 39 -4.905 1.377 -10.655 1.00 0.00 C ATOM 544 O GLU A 39 -4.193 1.241 -11.650 1.00 0.00 O ATOM 545 CB GLU A 39 -7.365 1.112 -11.029 1.00 0.00 C ATOM 546 CG GLU A 39 -7.540 0.829 -12.511 1.00 0.00 C ATOM 547 CD GLU A 39 -8.876 1.309 -13.043 1.00 0.00 C ATOM 548 OE1 GLU A 39 -9.918 0.817 -12.563 1.00 0.00 O ATOM 549 OE2 GLU A 39 -8.879 2.179 -13.940 1.00 0.00 O ATOM 0 H GLU A 39 -7.283 0.213 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.927 -0.482 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.242 0.749 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.321 2.190 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.737 1.313 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.448 -0.243 -12.686 1.00 0.00 H new ATOM 556 N ASP A 40 -4.682 2.301 -9.727 1.00 0.00 N ATOM 557 CA ASP A 40 -3.561 3.229 -9.826 1.00 0.00 C ATOM 558 C ASP A 40 -2.348 2.698 -9.070 1.00 0.00 C ATOM 559 O ASP A 40 -1.209 2.856 -9.512 1.00 0.00 O ATOM 560 CB ASP A 40 -3.958 4.601 -9.279 1.00 0.00 C ATOM 561 CG ASP A 40 -4.750 5.417 -10.282 1.00 0.00 C ATOM 562 OD1 ASP A 40 -4.150 5.881 -11.274 1.00 0.00 O ATOM 563 OD2 ASP A 40 -5.969 5.593 -10.074 1.00 0.00 O ATOM 0 H ASP A 40 -5.262 2.428 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.295 3.329 -10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.550 4.470 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.060 5.150 -8.997 1.00 0.00 H new ATOM 568 N CYS A 41 -2.598 2.068 -7.927 1.00 0.00 N ATOM 569 CA CYS A 41 -1.527 1.515 -7.107 1.00 0.00 C ATOM 570 C CYS A 41 -0.769 0.428 -7.864 1.00 0.00 C ATOM 571 O CYS A 41 -1.110 -0.752 -7.786 1.00 0.00 O ATOM 572 CB CYS A 41 -2.094 0.944 -5.806 1.00 0.00 C ATOM 573 SG CYS A 41 -0.916 0.945 -4.417 1.00 0.00 S ATOM 0 H CYS A 41 -3.534 1.928 -7.547 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.832 2.321 -6.870 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.974 1.521 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.427 -0.078 -5.985 1.00 0.00 H new ATOM 578 N VAL A 42 0.262 0.835 -8.598 1.00 0.00 N ATOM 579 CA VAL A 42 1.070 -0.103 -9.369 1.00 0.00 C ATOM 580 C VAL A 42 2.415 -0.352 -8.695 1.00 0.00 C ATOM 581 O VAL A 42 2.752 0.290 -7.701 1.00 0.00 O ATOM 582 CB VAL A 42 1.312 0.410 -10.801 1.00 0.00 C ATOM 583 CG1 VAL A 42 -0.006 0.564 -11.543 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.075 1.726 -10.773 1.00 0.00 C ATOM 0 H VAL A 42 0.557 1.808 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 42 0.512 -1.038 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 42 1.917 -0.323 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.185 0.927 -12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.510 -0.401 -11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.640 1.277 -11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.237 2.074 -11.793 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.498 2.470 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.037 1.578 -10.283 1.00 0.00 H new ATOM 594 N VAL A 43 3.181 -1.289 -9.244 1.00 0.00 N ATOM 595 CA VAL A 43 4.491 -1.623 -8.698 1.00 0.00 C ATOM 596 C VAL A 43 5.596 -0.848 -9.407 1.00 0.00 C ATOM 597 O VAL A 43 5.796 -0.995 -10.613 1.00 0.00 O ATOM 598 CB VAL A 43 4.780 -3.131 -8.816 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.193 -3.442 -8.346 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.758 -3.933 -8.024 1.00 0.00 C ATOM 0 H VAL A 43 2.917 -1.831 -10.067 1.00 0.00 H new ATOM 0 HA VAL A 43 4.475 -1.345 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 43 4.700 -3.418 -9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.379 -4.512 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.909 -2.896 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.304 -3.141 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.978 -4.996 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.804 -3.645 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.759 -3.733 -8.411 1.00 0.00 H new ATOM 610 N VAL A 44 6.311 -0.022 -8.650 1.00 0.00 N ATOM 611 CA VAL A 44 7.398 0.776 -9.205 1.00 0.00 C ATOM 612 C VAL A 44 8.755 0.214 -8.798 1.00 0.00 C ATOM 613 O VAL A 44 9.097 0.184 -7.616 1.00 0.00 O ATOM 614 CB VAL A 44 7.305 2.245 -8.751 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.167 2.328 -7.238 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.518 3.028 -9.228 1.00 0.00 C ATOM 0 H VAL A 44 6.157 0.112 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 44 7.301 0.733 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 44 6.416 2.690 -9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.103 3.373 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.264 1.804 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.035 1.867 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.435 4.064 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.423 2.586 -8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.566 2.997 -10.316 1.00 0.00 H new ATOM 626 N TRP A 45 9.526 -0.229 -9.785 1.00 0.00 N ATOM 627 CA TRP A 45 10.848 -0.789 -9.529 1.00 0.00 C ATOM 628 C TRP A 45 11.917 0.297 -9.570 1.00 0.00 C ATOM 629 O TRP A 45 11.848 1.218 -10.382 1.00 0.00 O ATOM 630 CB TRP A 45 11.170 -1.878 -10.554 1.00 0.00 C ATOM 631 CG TRP A 45 10.242 -3.053 -10.484 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.436 -4.210 -9.785 1.00 0.00 C ATOM 633 CD2 TRP A 45 8.976 -3.186 -11.140 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.367 -5.054 -9.966 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.458 -4.449 -10.792 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.230 -2.361 -11.985 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.228 -4.903 -11.262 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.010 -2.813 -12.450 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.519 -4.074 -12.088 1.00 0.00 C ATOM 0 H TRP A 45 9.259 -0.211 -10.769 1.00 0.00 H new ATOM 0 HA TRP A 45 10.842 -1.229 -8.532 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.126 -1.449 -11.555 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.193 -2.222 -10.399 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.303 -4.429 -9.179 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.267 -5.981 -9.552 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.600 -1.387 -12.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.847 -5.875 -10.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.425 -2.183 -13.104 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.562 -4.398 -12.468 1.00 0.00 H new ATOM 650 N GLY A 46 12.906 0.182 -8.688 1.00 0.00 N ATOM 651 CA GLY A 46 13.975 1.162 -8.641 1.00 0.00 C ATOM 652 C GLY A 46 15.290 0.610 -9.157 1.00 0.00 C ATOM 653 O GLY A 46 15.476 -0.604 -9.223 1.00 0.00 O ATOM 0 H GLY A 46 12.985 -0.572 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.692 2.032 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.106 1.504 -7.614 1.00 0.00 H new ATOM 657 N GLU A 47 16.202 1.505 -9.524 1.00 0.00 N ATOM 658 CA GLU A 47 17.505 1.099 -10.038 1.00 0.00 C ATOM 659 C GLU A 47 18.219 0.182 -9.050 1.00 0.00 C ATOM 660 O GLU A 47 19.040 -0.648 -9.438 1.00 0.00 O ATOM 661 CB GLU A 47 18.369 2.329 -10.326 1.00 0.00 C ATOM 662 CG GLU A 47 18.234 2.849 -11.747 1.00 0.00 C ATOM 663 CD GLU A 47 19.441 3.652 -12.192 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.227 4.075 -11.320 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.599 3.856 -13.414 1.00 0.00 O ATOM 0 H GLU A 47 16.063 2.514 -9.475 1.00 0.00 H new ATOM 0 HA GLU A 47 17.346 0.549 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.099 3.123 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.413 2.081 -10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.092 2.008 -12.426 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.342 3.471 -11.819 1.00 0.00 H new ATOM 672 N CYS A 48 17.899 0.339 -7.769 1.00 0.00 N ATOM 673 CA CYS A 48 18.509 -0.473 -6.724 1.00 0.00 C ATOM 674 C CYS A 48 17.969 -1.900 -6.758 1.00 0.00 C ATOM 675 O CYS A 48 18.391 -2.753 -5.979 1.00 0.00 O ATOM 676 CB CYS A 48 18.251 0.149 -5.350 1.00 0.00 C ATOM 677 SG CYS A 48 16.488 0.275 -4.910 1.00 0.00 S ATOM 0 H CYS A 48 17.221 1.021 -7.431 1.00 0.00 H new ATOM 0 HA CYS A 48 19.583 -0.506 -6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.762 -0.445 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.693 1.145 -5.325 1.00 0.00 H new ATOM 682 N ASN A 49 17.032 -2.150 -7.666 1.00 0.00 N ATOM 683 CA ASN A 49 16.433 -3.473 -7.802 1.00 0.00 C ATOM 684 C ASN A 49 15.452 -3.745 -6.666 1.00 0.00 C ATOM 685 O ASN A 49 15.463 -4.821 -6.066 1.00 0.00 O ATOM 686 CB ASN A 49 17.521 -4.549 -7.821 1.00 0.00 C ATOM 687 CG ASN A 49 17.020 -5.868 -8.376 1.00 0.00 C ATOM 688 OD1 ASN A 49 17.083 -6.899 -7.707 1.00 0.00 O ATOM 689 ND2 ASN A 49 16.520 -5.841 -9.606 1.00 0.00 N ATOM 0 H ASN A 49 16.671 -1.454 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 49 15.887 -3.502 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.362 -4.201 -8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.894 -4.702 -6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.168 -6.698 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.488 -4.963 -10.124 1.00 0.00 H new ATOM 696 N HIS A 50 14.604 -2.764 -6.376 1.00 0.00 N ATOM 697 CA HIS A 50 13.614 -2.898 -5.313 1.00 0.00 C ATOM 698 C HIS A 50 12.254 -2.378 -5.767 1.00 0.00 C ATOM 699 O HIS A 50 12.135 -1.242 -6.228 1.00 0.00 O ATOM 700 CB HIS A 50 14.071 -2.143 -4.064 1.00 0.00 C ATOM 701 CG HIS A 50 15.194 -2.814 -3.335 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.043 -2.145 -2.480 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.603 -4.104 -3.336 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.927 -2.993 -1.987 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.682 -4.190 -2.491 1.00 0.00 N ATOM 0 H HIS A 50 14.582 -1.867 -6.862 1.00 0.00 H new ATOM 0 HA HIS A 50 13.516 -3.957 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.384 -1.139 -4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.224 -2.032 -3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.163 -4.915 -3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.716 -2.750 -1.291 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.209 -5.039 -2.286 1.00 0.00 H new ATOM 713 N SER A 51 11.231 -3.216 -5.635 1.00 0.00 N ATOM 714 CA SER A 51 9.880 -2.842 -6.036 1.00 0.00 C ATOM 715 C SER A 51 9.155 -2.124 -4.902 1.00 0.00 C ATOM 716 O SER A 51 9.279 -2.498 -3.735 1.00 0.00 O ATOM 717 CB SER A 51 9.089 -4.081 -6.458 1.00 0.00 C ATOM 718 OG SER A 51 8.954 -4.992 -5.381 1.00 0.00 O ATOM 0 H SER A 51 11.312 -4.158 -5.253 1.00 0.00 H new ATOM 0 HA SER A 51 9.955 -2.161 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.102 -3.783 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.592 -4.571 -7.292 1.00 0.00 H new ATOM 0 HG SER A 51 8.443 -5.774 -5.676 1.00 0.00 H new ATOM 724 N PHE A 52 8.397 -1.090 -5.253 1.00 0.00 N ATOM 725 CA PHE A 52 7.652 -0.318 -4.265 1.00 0.00 C ATOM 726 C PHE A 52 6.304 0.124 -4.825 1.00 0.00 C ATOM 727 O PHE A 52 5.928 -0.249 -5.937 1.00 0.00 O ATOM 728 CB PHE A 52 8.461 0.905 -3.827 1.00 0.00 C ATOM 729 CG PHE A 52 9.649 0.563 -2.973 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.510 0.399 -1.604 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.903 0.406 -3.539 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.602 0.085 -0.816 1.00 0.00 C ATOM 733 CE2 PHE A 52 11.999 0.092 -2.756 1.00 0.00 C ATOM 734 CZ PHE A 52 11.847 -0.069 -1.393 1.00 0.00 C ATOM 0 H PHE A 52 8.283 -0.768 -6.214 1.00 0.00 H new ATOM 0 HA PHE A 52 7.474 -0.957 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.802 1.441 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.810 1.583 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.538 0.518 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.027 0.530 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.481 -0.040 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.972 -0.027 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.701 -0.315 -0.779 1.00 0.00 H new ATOM 744 N HIS A 53 5.579 0.922 -4.046 1.00 0.00 N ATOM 745 CA HIS A 53 4.272 1.416 -4.463 1.00 0.00 C ATOM 746 C HIS A 53 4.389 2.804 -5.086 1.00 0.00 C ATOM 747 O HIS A 53 4.682 3.780 -4.398 1.00 0.00 O ATOM 748 CB HIS A 53 3.315 1.458 -3.271 1.00 0.00 C ATOM 749 CG HIS A 53 2.853 0.104 -2.826 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.879 -0.303 -1.509 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.352 -0.936 -3.531 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.414 -1.537 -1.423 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.086 -1.944 -2.636 1.00 0.00 N ATOM 0 H HIS A 53 5.875 1.240 -3.123 1.00 0.00 H new ATOM 0 HA HIS A 53 3.875 0.733 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.808 1.957 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.446 2.061 -3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.191 -0.968 -4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.318 -2.114 -0.515 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.698 -2.858 -2.870 1.00 0.00 H new ATOM 761 N ASN A 54 4.158 2.882 -6.393 1.00 0.00 N ATOM 762 CA ASN A 54 4.239 4.150 -7.108 1.00 0.00 C ATOM 763 C ASN A 54 3.679 5.289 -6.262 1.00 0.00 C ATOM 764 O ASN A 54 4.222 6.394 -6.251 1.00 0.00 O ATOM 765 CB ASN A 54 3.478 4.062 -8.433 1.00 0.00 C ATOM 766 CG ASN A 54 2.022 4.463 -8.291 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.240 3.624 -7.621 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.606 5.514 -8.778 1.00 0.00 N flip ATOM 0 H ASN A 54 3.914 2.083 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 54 5.290 4.356 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.959 4.706 -9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.536 3.043 -8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.243 6.128 -9.285 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.624 5.771 -8.675 1.00 0.00 H new ATOM 775 N CYS A 55 2.589 5.012 -5.554 1.00 0.00 N ATOM 776 CA CYS A 55 1.954 6.012 -4.703 1.00 0.00 C ATOM 777 C CYS A 55 2.825 6.327 -3.491 1.00 0.00 C ATOM 778 O CYS A 55 3.056 7.492 -3.164 1.00 0.00 O ATOM 779 CB CYS A 55 0.579 5.522 -4.244 1.00 0.00 C ATOM 780 SG CYS A 55 0.621 3.960 -3.308 1.00 0.00 S ATOM 0 H CYS A 55 2.127 4.103 -5.553 1.00 0.00 H new ATOM 0 HA CYS A 55 1.831 6.924 -5.286 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.119 6.292 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.059 5.392 -5.118 1.00 0.00 H new ATOM 785 N CYS A 56 3.307 5.281 -2.827 1.00 0.00 N ATOM 786 CA CYS A 56 4.152 5.444 -1.651 1.00 0.00 C ATOM 787 C CYS A 56 5.480 6.098 -2.021 1.00 0.00 C ATOM 788 O CYS A 56 5.841 7.143 -1.482 1.00 0.00 O ATOM 789 CB CYS A 56 4.406 4.089 -0.987 1.00 0.00 C ATOM 790 SG CYS A 56 2.896 3.252 -0.405 1.00 0.00 S ATOM 0 H CYS A 56 3.126 4.311 -3.084 1.00 0.00 H new ATOM 0 HA CYS A 56 3.631 6.094 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.918 3.439 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.079 4.231 -0.141 1.00 0.00 H new ATOM 795 N MET A 57 6.202 5.474 -2.946 1.00 0.00 N ATOM 796 CA MET A 57 7.489 5.996 -3.391 1.00 0.00 C ATOM 797 C MET A 57 7.430 7.510 -3.568 1.00 0.00 C ATOM 798 O MET A 57 8.337 8.229 -3.149 1.00 0.00 O ATOM 799 CB MET A 57 7.907 5.333 -4.704 1.00 0.00 C ATOM 800 CG MET A 57 9.412 5.185 -4.860 1.00 0.00 C ATOM 801 SD MET A 57 10.307 6.682 -4.401 1.00 0.00 S ATOM 802 CE MET A 57 11.302 6.078 -3.040 1.00 0.00 C ATOM 0 H MET A 57 5.918 4.607 -3.402 1.00 0.00 H new ATOM 0 HA MET A 57 8.230 5.766 -2.625 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.445 4.348 -4.767 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.520 5.920 -5.537 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.758 4.356 -4.243 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.643 4.931 -5.894 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.094 6.795 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.674 5.951 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.745 5.120 -3.310 1.00 0.00 H new ATOM 812 N SER A 58 6.358 7.987 -4.192 1.00 0.00 N ATOM 813 CA SER A 58 6.183 9.415 -4.429 1.00 0.00 C ATOM 814 C SER A 58 6.001 10.165 -3.113 1.00 0.00 C ATOM 815 O SER A 58 6.410 11.320 -2.981 1.00 0.00 O ATOM 816 CB SER A 58 4.978 9.659 -5.339 1.00 0.00 C ATOM 817 OG SER A 58 5.183 9.089 -6.620 1.00 0.00 O ATOM 0 H SER A 58 5.597 7.405 -4.543 1.00 0.00 H new ATOM 0 HA SER A 58 7.081 9.790 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.084 9.231 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.804 10.730 -5.438 1.00 0.00 H new ATOM 0 HG SER A 58 4.888 8.154 -6.613 1.00 0.00 H new ATOM 823 N LEU A 59 5.384 9.502 -2.141 1.00 0.00 N ATOM 824 CA LEU A 59 5.147 10.104 -0.834 1.00 0.00 C ATOM 825 C LEU A 59 6.381 9.983 0.054 1.00 0.00 C ATOM 826 O LEU A 59 6.567 10.767 0.984 1.00 0.00 O ATOM 827 CB LEU A 59 3.948 9.439 -0.155 1.00 0.00 C ATOM 828 CG LEU A 59 2.599 9.615 -0.852 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.564 8.671 -0.259 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.128 11.059 -0.746 1.00 0.00 C ATOM 0 H LEU A 59 5.039 8.547 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 59 4.932 11.162 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.152 8.372 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.865 9.833 0.858 1.00 0.00 H new ATOM 0 HG LEU A 59 2.723 9.370 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.610 8.811 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.896 7.641 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.443 8.884 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.166 11.166 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.022 11.331 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.859 11.716 -1.219 1.00 0.00 H new ATOM 842 N TRP A 60 7.221 8.998 -0.242 1.00 0.00 N ATOM 843 CA TRP A 60 8.439 8.775 0.529 1.00 0.00 C ATOM 844 C TRP A 60 9.518 9.781 0.143 1.00 0.00 C ATOM 845 O TRP A 60 10.212 10.323 1.004 1.00 0.00 O ATOM 846 CB TRP A 60 8.952 7.351 0.312 1.00 0.00 C ATOM 847 CG TRP A 60 10.264 7.083 0.985 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.508 7.229 0.442 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.461 6.619 2.325 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.467 6.885 1.364 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.850 6.508 2.528 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.599 6.289 3.374 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.394 6.080 3.736 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.140 5.865 4.573 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.527 5.764 4.746 1.00 0.00 C ATOM 0 H TRP A 60 7.081 8.341 -1.010 1.00 0.00 H new ATOM 0 HA TRP A 60 8.201 8.911 1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.210 6.645 0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.057 7.169 -0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.709 7.565 -0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.475 6.907 1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.529 6.364 3.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.463 6.000 3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 9.483 5.607 5.390 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.919 5.430 5.695 1.00 0.00 H new ATOM 866 N VAL A 61 9.655 10.027 -1.156 1.00 0.00 N ATOM 867 CA VAL A 61 10.649 10.969 -1.655 1.00 0.00 C ATOM 868 C VAL A 61 10.479 12.341 -1.012 1.00 0.00 C ATOM 869 O VAL A 61 11.357 13.198 -1.109 1.00 0.00 O ATOM 870 CB VAL A 61 10.562 11.119 -3.186 1.00 0.00 C ATOM 871 CG1 VAL A 61 11.027 9.845 -3.874 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.144 11.474 -3.606 1.00 0.00 C ATOM 0 H VAL A 61 9.090 9.587 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 61 11.627 10.565 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 61 11.222 11.931 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.959 9.969 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.061 9.639 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.395 9.013 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.101 11.576 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.462 10.685 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.852 12.415 -3.141 1.00 0.00 H new ATOM 882 N LYS A 62 9.343 12.541 -0.351 1.00 0.00 N ATOM 883 CA LYS A 62 9.057 13.808 0.312 1.00 0.00 C ATOM 884 C LYS A 62 9.957 14.001 1.528 1.00 0.00 C ATOM 885 O LYS A 62 10.378 15.118 1.827 1.00 0.00 O ATOM 886 CB LYS A 62 7.588 13.863 0.737 1.00 0.00 C ATOM 887 CG LYS A 62 6.614 13.770 -0.425 1.00 0.00 C ATOM 888 CD LYS A 62 5.174 13.711 0.058 1.00 0.00 C ATOM 889 CE LYS A 62 4.690 15.071 0.535 1.00 0.00 C ATOM 890 NZ LYS A 62 4.361 15.973 -0.604 1.00 0.00 N ATOM 0 H LYS A 62 8.606 11.842 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 62 9.255 14.613 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.389 13.048 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.409 14.793 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.744 14.632 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.837 12.883 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.533 13.358 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.091 12.989 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.809 14.943 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.459 15.533 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.971 16.865 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.223 16.170 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.659 15.514 -1.219 1.00 0.00 H new ATOM 904 N GLN A 63 10.249 12.907 2.222 1.00 0.00 N ATOM 905 CA GLN A 63 11.100 12.957 3.405 1.00 0.00 C ATOM 906 C GLN A 63 12.507 12.463 3.085 1.00 0.00 C ATOM 907 O GLN A 63 13.494 13.012 3.573 1.00 0.00 O ATOM 908 CB GLN A 63 10.495 12.117 4.531 1.00 0.00 C ATOM 909 CG GLN A 63 9.066 12.502 4.877 1.00 0.00 C ATOM 910 CD GLN A 63 8.409 11.518 5.825 1.00 0.00 C ATOM 911 OE1 GLN A 63 9.086 10.730 6.487 1.00 0.00 O ATOM 912 NE2 GLN A 63 7.084 11.558 5.896 1.00 0.00 N ATOM 0 H GLN A 63 9.909 11.975 1.986 1.00 0.00 H new ATOM 0 HA GLN A 63 11.165 13.995 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.520 11.066 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.115 12.218 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.060 13.494 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.479 12.565 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.563 12.227 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.587 10.920 6.517 1.00 0.00 H new ATOM 921 N ASN A 64 12.590 11.423 2.262 1.00 0.00 N ATOM 922 CA ASN A 64 13.877 10.853 1.878 1.00 0.00 C ATOM 923 C ASN A 64 13.876 10.454 0.405 1.00 0.00 C ATOM 924 O ASN A 64 13.073 9.627 -0.024 1.00 0.00 O ATOM 925 CB ASN A 64 14.200 9.637 2.747 1.00 0.00 C ATOM 926 CG ASN A 64 15.370 8.836 2.209 1.00 0.00 C ATOM 927 OD1 ASN A 64 16.221 9.363 1.493 1.00 0.00 O ATOM 928 ND2 ASN A 64 15.417 7.554 2.553 1.00 0.00 N ATOM 0 H ASN A 64 11.782 10.958 1.848 1.00 0.00 H new ATOM 0 HA ASN A 64 14.643 11.613 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.425 9.968 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.322 8.995 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.181 6.965 2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.690 7.159 3.149 1.00 0.00 H new ATOM 935 N ASN A 65 14.784 11.048 -0.364 1.00 0.00 N ATOM 936 CA ASN A 65 14.888 10.754 -1.788 1.00 0.00 C ATOM 937 C ASN A 65 15.677 9.469 -2.022 1.00 0.00 C ATOM 938 O ASN A 65 16.108 9.188 -3.141 1.00 0.00 O ATOM 939 CB ASN A 65 15.559 11.918 -2.522 1.00 0.00 C ATOM 940 CG ASN A 65 14.810 13.224 -2.341 1.00 0.00 C ATOM 941 OD1 ASN A 65 14.051 13.390 -1.386 1.00 0.00 O ATOM 942 ND2 ASN A 65 15.021 14.159 -3.260 1.00 0.00 N ATOM 0 H ASN A 65 15.457 11.735 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 65 13.880 10.617 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.580 12.034 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.625 11.684 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.545 15.059 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.659 13.978 -4.035 1.00 0.00 H new ATOM 949 N ARG A 66 15.860 8.692 -0.960 1.00 0.00 N ATOM 950 CA ARG A 66 16.596 7.437 -1.049 1.00 0.00 C ATOM 951 C ARG A 66 15.683 6.249 -0.760 1.00 0.00 C ATOM 952 O ARG A 66 14.568 6.416 -0.264 1.00 0.00 O ATOM 953 CB ARG A 66 17.772 7.440 -0.070 1.00 0.00 C ATOM 954 CG ARG A 66 18.808 8.512 -0.366 1.00 0.00 C ATOM 955 CD ARG A 66 19.599 8.881 0.879 1.00 0.00 C ATOM 956 NE ARG A 66 20.272 10.169 0.739 1.00 0.00 N ATOM 957 CZ ARG A 66 20.787 10.845 1.760 1.00 0.00 C ATOM 958 NH1 ARG A 66 20.708 10.356 2.990 1.00 0.00 N ATOM 959 NH2 ARG A 66 21.384 12.011 1.552 1.00 0.00 N ATOM 0 H ARG A 66 15.509 8.910 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 66 16.978 7.341 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.392 7.584 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.255 6.463 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.489 8.157 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.313 9.399 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.928 8.914 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.338 8.106 1.081 1.00 0.00 H new ATOM 0 HE ARG A 66 20.351 10.572 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.251 9.459 3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.104 10.877 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.448 12.390 0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.779 12.529 2.337 1.00 0.00 H new ATOM 973 N CYS A 67 16.163 5.051 -1.074 1.00 0.00 N ATOM 974 CA CYS A 67 15.390 3.835 -0.850 1.00 0.00 C ATOM 975 C CYS A 67 15.425 3.432 0.621 1.00 0.00 C ATOM 976 O CYS A 67 16.485 3.342 1.241 1.00 0.00 O ATOM 977 CB CYS A 67 15.932 2.695 -1.715 1.00 0.00 C ATOM 978 SG CYS A 67 15.043 1.118 -1.509 1.00 0.00 S ATOM 0 H CYS A 67 17.084 4.896 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 67 14.356 4.035 -1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 67 15.883 2.993 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.984 2.541 -1.476 1.00 0.00 H new ATOM 983 N PRO A 68 14.238 3.183 1.194 1.00 0.00 N ATOM 984 CA PRO A 68 14.105 2.785 2.599 1.00 0.00 C ATOM 985 C PRO A 68 14.634 1.378 2.855 1.00 0.00 C ATOM 986 O PRO A 68 14.494 0.842 3.955 1.00 0.00 O ATOM 987 CB PRO A 68 12.595 2.841 2.842 1.00 0.00 C ATOM 988 CG PRO A 68 11.987 2.639 1.497 1.00 0.00 C ATOM 989 CD PRO A 68 12.934 3.270 0.515 1.00 0.00 C ATOM 0 HA PRO A 68 14.681 3.430 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.277 2.067 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.298 3.798 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.854 1.578 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.002 3.101 1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.940 2.738 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.661 4.303 0.300 1.00 0.00 H new ATOM 997 N LEU A 69 15.244 0.785 1.835 1.00 0.00 N ATOM 998 CA LEU A 69 15.795 -0.561 1.950 1.00 0.00 C ATOM 999 C LEU A 69 17.314 -0.540 1.820 1.00 0.00 C ATOM 1000 O LEU A 69 18.021 -1.222 2.563 1.00 0.00 O ATOM 1001 CB LEU A 69 15.193 -1.473 0.879 1.00 0.00 C ATOM 1002 CG LEU A 69 13.710 -1.811 1.041 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.204 -2.583 -0.167 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.481 -2.604 2.319 1.00 0.00 C ATOM 0 H LEU A 69 15.370 1.215 0.919 1.00 0.00 H new ATOM 0 HA LEU A 69 15.538 -0.949 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.333 -1.000 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.758 -2.405 0.865 1.00 0.00 H new ATOM 0 HG LEU A 69 13.149 -0.879 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.147 -2.815 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.333 -1.979 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.769 -3.510 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.421 -2.836 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.053 -3.531 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.805 -2.014 3.176 1.00 0.00 H new ATOM 1016 N CYS A 70 17.811 0.250 0.874 1.00 0.00 N ATOM 1017 CA CYS A 70 19.247 0.362 0.647 1.00 0.00 C ATOM 1018 C CYS A 70 19.703 1.814 0.757 1.00 0.00 C ATOM 1019 O CYS A 70 20.828 2.151 0.388 1.00 0.00 O ATOM 1020 CB CYS A 70 19.613 -0.196 -0.730 1.00 0.00 C ATOM 1021 SG CYS A 70 18.636 0.504 -2.099 1.00 0.00 S ATOM 0 H CYS A 70 17.240 0.822 0.252 1.00 0.00 H new ATOM 0 HA CYS A 70 19.757 -0.220 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.670 -0.006 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.480 -1.278 -0.719 1.00 0.00 H new ATOM 1026 N GLN A 71 18.822 2.668 1.267 1.00 0.00 N ATOM 1027 CA GLN A 71 19.134 4.084 1.425 1.00 0.00 C ATOM 1028 C GLN A 71 20.061 4.564 0.314 1.00 0.00 C ATOM 1029 O GLN A 71 20.932 5.404 0.540 1.00 0.00 O ATOM 1030 CB GLN A 71 19.779 4.337 2.789 1.00 0.00 C ATOM 1031 CG GLN A 71 20.645 3.186 3.275 1.00 0.00 C ATOM 1032 CD GLN A 71 19.830 1.976 3.688 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.124 0.849 3.288 1.00 0.00 O ATOM 1034 NE2 GLN A 71 18.800 2.203 4.494 1.00 0.00 N ATOM 0 H GLN A 71 17.887 2.405 1.578 1.00 0.00 H new ATOM 0 HA GLN A 71 18.201 4.645 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.387 5.240 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.995 4.526 3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.339 2.899 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.246 3.520 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.592 3.153 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.216 1.427 4.806 1.00 0.00 H new ATOM 1043 N GLN A 72 19.869 4.025 -0.886 1.00 0.00 N ATOM 1044 CA GLN A 72 20.689 4.399 -2.031 1.00 0.00 C ATOM 1045 C GLN A 72 19.910 5.291 -2.992 1.00 0.00 C ATOM 1046 O GLN A 72 18.681 5.245 -3.038 1.00 0.00 O ATOM 1047 CB GLN A 72 21.181 3.148 -2.763 1.00 0.00 C ATOM 1048 CG GLN A 72 22.403 2.510 -2.123 1.00 0.00 C ATOM 1049 CD GLN A 72 23.295 1.815 -3.134 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.814 1.228 -4.103 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.602 1.878 -2.911 1.00 0.00 N ATOM 0 H GLN A 72 19.153 3.328 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 72 21.549 4.958 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.374 2.416 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.416 3.410 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.978 3.276 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.080 1.789 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.957 2.376 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.252 1.429 -3.556 1.00 0.00 H new ATOM 1060 N ASP A 73 20.633 6.102 -3.756 1.00 0.00 N ATOM 1061 CA ASP A 73 20.009 7.005 -4.716 1.00 0.00 C ATOM 1062 C ASP A 73 18.867 6.311 -5.453 1.00 0.00 C ATOM 1063 O ASP A 73 19.096 5.514 -6.362 1.00 0.00 O ATOM 1064 CB ASP A 73 21.046 7.512 -5.720 1.00 0.00 C ATOM 1065 CG ASP A 73 21.700 6.386 -6.496 1.00 0.00 C ATOM 1066 OD1 ASP A 73 22.059 5.366 -5.871 1.00 0.00 O ATOM 1067 OD2 ASP A 73 21.854 6.525 -7.727 1.00 0.00 O ATOM 0 H ASP A 73 21.651 6.153 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 73 19.601 7.853 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 73 20.567 8.199 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.813 8.078 -5.191 1.00 0.00 H new ATOM 1072 N TRP A 74 17.639 6.619 -5.053 1.00 0.00 N ATOM 1073 CA TRP A 74 16.461 6.023 -5.674 1.00 0.00 C ATOM 1074 C TRP A 74 16.264 6.555 -7.089 1.00 0.00 C ATOM 1075 O TRP A 74 16.383 7.756 -7.333 1.00 0.00 O ATOM 1076 CB TRP A 74 15.216 6.306 -4.832 1.00 0.00 C ATOM 1077 CG TRP A 74 13.941 5.880 -5.495 1.00 0.00 C ATOM 1078 CD1 TRP A 74 13.024 6.689 -6.104 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.442 4.544 -5.613 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.985 5.935 -6.593 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.218 4.616 -6.306 1.00 0.00 C ATOM 1082 CE3 TRP A 74 13.910 3.293 -5.202 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.458 3.486 -6.595 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.155 2.172 -5.489 1.00 0.00 C ATOM 1085 CH2 TRP A 74 11.941 2.274 -6.181 1.00 0.00 C ATOM 0 H TRP A 74 17.432 7.278 -4.302 1.00 0.00 H new ATOM 0 HA TRP A 74 16.616 4.946 -5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.309 5.792 -3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.166 7.373 -4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 74 13.104 7.763 -6.189 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.172 6.299 -7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.845 3.204 -4.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.521 3.563 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.507 1.200 -5.175 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.375 1.379 -6.392 1.00 0.00 H new ATOM 1096 N VAL A 75 15.963 5.655 -8.020 1.00 0.00 N ATOM 1097 CA VAL A 75 15.749 6.035 -9.411 1.00 0.00 C ATOM 1098 C VAL A 75 14.693 5.152 -10.065 1.00 0.00 C ATOM 1099 O VAL A 75 14.930 3.973 -10.330 1.00 0.00 O ATOM 1100 CB VAL A 75 17.054 5.945 -10.225 1.00 0.00 C ATOM 1101 CG1 VAL A 75 16.791 6.254 -11.691 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.104 6.885 -9.652 1.00 0.00 C ATOM 0 H VAL A 75 15.862 4.657 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 75 15.403 7.069 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 75 17.436 4.926 -10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 75 17.724 6.186 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.075 5.537 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.386 7.262 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.019 6.809 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.734 7.910 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.312 6.611 -8.618 1.00 0.00 H new ATOM 1112 N VAL A 76 13.524 5.729 -10.325 1.00 0.00 N ATOM 1113 CA VAL A 76 12.430 4.995 -10.950 1.00 0.00 C ATOM 1114 C VAL A 76 12.909 4.247 -12.189 1.00 0.00 C ATOM 1115 O VAL A 76 13.207 4.856 -13.217 1.00 0.00 O ATOM 1116 CB VAL A 76 11.277 5.936 -11.345 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.230 5.187 -12.155 1.00 0.00 C ATOM 1118 CG2 VAL A 76 10.655 6.566 -10.108 1.00 0.00 C ATOM 0 H VAL A 76 13.310 6.703 -10.112 1.00 0.00 H new ATOM 0 HA VAL A 76 12.067 4.278 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 76 11.681 6.735 -11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.423 5.868 -12.425 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.687 4.789 -13.061 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.828 4.366 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.842 7.228 -10.406 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.265 5.783 -9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.411 7.139 -9.572 1.00 0.00 H new ATOM 1128 N GLN A 77 12.978 2.924 -12.085 1.00 0.00 N ATOM 1129 CA GLN A 77 13.420 2.093 -13.198 1.00 0.00 C ATOM 1130 C GLN A 77 12.237 1.654 -14.054 1.00 0.00 C ATOM 1131 O GLN A 77 12.197 1.915 -15.256 1.00 0.00 O ATOM 1132 CB GLN A 77 14.172 0.866 -12.679 1.00 0.00 C ATOM 1133 CG GLN A 77 14.776 0.011 -13.781 1.00 0.00 C ATOM 1134 CD GLN A 77 16.011 -0.741 -13.326 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.120 -0.475 -13.790 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.826 -1.687 -12.413 1.00 0.00 N ATOM 0 H GLN A 77 12.734 2.405 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 77 14.092 2.687 -13.817 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.966 1.194 -12.008 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.489 0.254 -12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.030 -0.702 -14.132 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.034 0.646 -14.628 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.889 -1.875 -12.055 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.621 -2.226 -12.069 1.00 0.00 H new ATOM 1145 N ARG A 78 11.275 0.985 -13.426 1.00 0.00 N ATOM 1146 CA ARG A 78 10.091 0.508 -14.130 1.00 0.00 C ATOM 1147 C ARG A 78 8.820 0.883 -13.373 1.00 0.00 C ATOM 1148 O ARG A 78 8.865 1.195 -12.183 1.00 0.00 O ATOM 1149 CB ARG A 78 10.158 -1.008 -14.317 1.00 0.00 C ATOM 1150 CG ARG A 78 10.922 -1.436 -15.560 1.00 0.00 C ATOM 1151 CD ARG A 78 10.005 -1.539 -16.769 1.00 0.00 C ATOM 1152 NE ARG A 78 9.326 -2.830 -16.833 1.00 0.00 N ATOM 1153 CZ ARG A 78 8.799 -3.329 -17.945 1.00 0.00 C ATOM 1154 NH1 ARG A 78 8.873 -2.648 -19.081 1.00 0.00 N ATOM 1155 NH2 ARG A 78 8.197 -4.511 -17.923 1.00 0.00 N ATOM 0 H ARG A 78 11.293 0.761 -12.431 1.00 0.00 H new ATOM 0 HA ARG A 78 10.064 0.986 -15.109 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.629 -1.453 -13.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.144 -1.404 -14.370 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.717 -0.719 -15.765 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.400 -2.399 -15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.263 -0.741 -16.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.587 -1.390 -17.679 1.00 0.00 H new ATOM 0 HE ARG A 78 9.252 -3.379 -15.976 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.335 -1.739 -19.102 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.467 -3.033 -19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.139 -5.037 -17.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.793 -4.893 -18.778 1.00 0.00 H new ATOM 1169 N ILE A 79 7.690 0.849 -14.071 1.00 0.00 N ATOM 1170 CA ILE A 79 6.408 1.184 -13.464 1.00 0.00 C ATOM 1171 C ILE A 79 5.268 0.423 -14.132 1.00 0.00 C ATOM 1172 O ILE A 79 5.186 0.358 -15.358 1.00 0.00 O ATOM 1173 CB ILE A 79 6.121 2.695 -13.550 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.185 3.483 -12.782 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.733 3.003 -13.010 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.169 4.966 -13.078 1.00 0.00 C ATOM 0 H ILE A 79 7.636 0.593 -15.057 1.00 0.00 H new ATOM 0 HA ILE A 79 6.471 0.894 -12.415 1.00 0.00 H new ATOM 0 HB ILE A 79 6.157 2.997 -14.597 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.036 3.332 -11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.169 3.083 -13.026 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.546 4.075 -13.078 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.987 2.466 -13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.670 2.689 -11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.949 5.461 -12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.349 5.127 -14.141 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.198 5.381 -12.807 1.00 0.00 H new ATOM 1188 N GLY A 80 4.388 -0.150 -13.316 1.00 0.00 N ATOM 1189 CA GLY A 80 3.263 -0.898 -13.847 1.00 0.00 C ATOM 1190 C GLY A 80 3.391 -2.389 -13.602 1.00 0.00 C ATOM 1191 O GLY A 80 4.472 -2.959 -13.746 1.00 0.00 O ATOM 0 H GLY A 80 4.434 -0.110 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.342 -0.536 -13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.182 -0.715 -14.918 1.00 0.00 H new ATOM 1195 N LYS A 81 2.284 -3.023 -13.230 1.00 0.00 N ATOM 1196 CA LYS A 81 2.276 -4.456 -12.964 1.00 0.00 C ATOM 1197 C LYS A 81 3.257 -5.185 -13.877 1.00 0.00 C ATOM 1198 O LYS A 81 3.078 -5.161 -15.094 1.00 0.00 O ATOM 1199 CB LYS A 81 0.867 -5.023 -13.157 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.056 -4.771 -11.977 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.695 -3.394 -12.054 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.854 -3.263 -11.078 1.00 0.00 C ATOM 1203 NZ LYS A 81 -3.057 -4.009 -11.541 1.00 0.00 N ATOM 0 H LYS A 81 1.380 -2.566 -13.106 1.00 0.00 H new ATOM 0 HA LYS A 81 2.586 -4.610 -11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.427 -4.584 -14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.937 -6.097 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.834 -5.534 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.507 -4.861 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.053 -2.632 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.050 -3.212 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.549 -3.636 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.106 -2.210 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.878 -3.735 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.243 -3.783 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.891 -5.031 -11.443 1.00 0.00 H new TER 1217 LYS A 81 HETATM 1218 ZN ZN A 201 3.379 1.085 -0.015 1.00 0.00 ZN HETATM 1219 ZN ZN A 401 -1.189 2.777 -2.959 1.00 0.00 ZN HETATM 1220 ZN ZN A 601 16.623 -0.340 -2.590 1.00 0.00 ZN