USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 425 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 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 17:sc= 0.429 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 GLN : amide:sc= -0.831 K(o=-0.83,f=-2.1!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0633 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.0426 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.05 K(o=-3.1,f=-4.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -126:sc= -0.0337 (180deg=-0.861) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0197 (180deg=-0.161) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 107:sc= 0.269 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -1.39 USER MOD Single : A 57 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 30:sc= 0.222 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.897 23.081 13.698 1.00 0.00 N ATOM 2 CA GLY A 1 -14.951 22.584 12.335 1.00 0.00 C ATOM 3 C GLY A 1 -13.837 21.603 12.030 1.00 0.00 C ATOM 4 O GLY A 1 -14.091 20.435 11.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.679 23.748 13.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.982 22.285 14.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.991 23.567 13.855 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.913 22.100 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.891 23.424 11.643 1.00 0.00 H new ATOM 8 N SER A 2 -12.597 22.079 12.098 1.00 0.00 N ATOM 9 CA SER A 2 -11.439 21.236 11.822 1.00 0.00 C ATOM 10 C SER A 2 -11.618 20.481 10.508 1.00 0.00 C ATOM 11 O SER A 2 -11.300 19.296 10.413 1.00 0.00 O ATOM 12 CB SER A 2 -11.217 20.246 12.967 1.00 0.00 C ATOM 13 OG SER A 2 -10.697 20.899 14.112 1.00 0.00 O ATOM 0 H SER A 2 -12.369 23.043 12.342 1.00 0.00 H new ATOM 0 HA SER A 2 -10.564 21.880 11.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.159 19.759 13.219 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.529 19.463 12.647 1.00 0.00 H new ATOM 0 HG SER A 2 -10.566 20.245 14.830 1.00 0.00 H new ATOM 19 N SER A 3 -12.130 21.176 9.498 1.00 0.00 N ATOM 20 CA SER A 3 -12.355 20.572 8.190 1.00 0.00 C ATOM 21 C SER A 3 -11.628 21.351 7.099 1.00 0.00 C ATOM 22 O SER A 3 -11.805 22.561 6.961 1.00 0.00 O ATOM 23 CB SER A 3 -13.853 20.516 7.882 1.00 0.00 C ATOM 24 OG SER A 3 -14.365 21.808 7.605 1.00 0.00 O ATOM 0 H SER A 3 -12.397 22.158 9.560 1.00 0.00 H new ATOM 0 HA SER A 3 -11.958 19.557 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.028 19.861 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.386 20.084 8.729 1.00 0.00 H new ATOM 0 HG SER A 3 -13.624 22.419 7.411 1.00 0.00 H new ATOM 30 N GLY A 4 -10.809 20.647 6.323 1.00 0.00 N ATOM 31 CA GLY A 4 -10.067 21.288 5.254 1.00 0.00 C ATOM 32 C GLY A 4 -9.081 20.348 4.588 1.00 0.00 C ATOM 33 O GLY A 4 -7.873 20.454 4.799 1.00 0.00 O ATOM 0 H GLY A 4 -10.647 19.644 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.765 21.666 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.531 22.149 5.653 1.00 0.00 H new ATOM 37 N SER A 5 -9.597 19.426 3.782 1.00 0.00 N ATOM 38 CA SER A 5 -8.754 18.460 3.088 1.00 0.00 C ATOM 39 C SER A 5 -7.919 17.655 4.079 1.00 0.00 C ATOM 40 O SER A 5 -6.730 17.422 3.861 1.00 0.00 O ATOM 41 CB SER A 5 -7.837 19.174 2.093 1.00 0.00 C ATOM 42 OG SER A 5 -8.499 19.397 0.859 1.00 0.00 O ATOM 0 H SER A 5 -10.595 19.328 3.593 1.00 0.00 H new ATOM 0 HA SER A 5 -9.403 17.773 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.512 20.126 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.941 18.576 1.926 1.00 0.00 H new ATOM 0 HG SER A 5 -7.893 19.856 0.241 1.00 0.00 H new ATOM 48 N SER A 6 -8.551 17.234 5.170 1.00 0.00 N ATOM 49 CA SER A 6 -7.866 16.459 6.198 1.00 0.00 C ATOM 50 C SER A 6 -7.567 15.046 5.705 1.00 0.00 C ATOM 51 O SER A 6 -8.343 14.119 5.935 1.00 0.00 O ATOM 52 CB SER A 6 -8.714 16.398 7.470 1.00 0.00 C ATOM 53 OG SER A 6 -7.933 16.007 8.586 1.00 0.00 O ATOM 0 H SER A 6 -9.535 17.416 5.365 1.00 0.00 H new ATOM 0 HA SER A 6 -6.921 16.954 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.162 17.374 7.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.534 15.693 7.331 1.00 0.00 H new ATOM 0 HG SER A 6 -8.498 15.977 9.386 1.00 0.00 H new ATOM 59 N GLY A 7 -6.436 14.890 5.025 1.00 0.00 N ATOM 60 CA GLY A 7 -6.053 13.589 4.509 1.00 0.00 C ATOM 61 C GLY A 7 -4.743 13.096 5.092 1.00 0.00 C ATOM 62 O GLY A 7 -3.669 13.511 4.657 1.00 0.00 O ATOM 0 H GLY A 7 -5.777 15.642 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.840 12.868 4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.967 13.643 3.424 1.00 0.00 H new ATOM 66 N GLN A 8 -4.833 12.211 6.079 1.00 0.00 N ATOM 67 CA GLN A 8 -3.645 11.664 6.724 1.00 0.00 C ATOM 68 C GLN A 8 -3.736 10.146 6.835 1.00 0.00 C ATOM 69 O GLN A 8 -4.806 9.595 7.097 1.00 0.00 O ATOM 70 CB GLN A 8 -3.463 12.279 8.112 1.00 0.00 C ATOM 71 CG GLN A 8 -3.007 13.729 8.080 1.00 0.00 C ATOM 72 CD GLN A 8 -1.527 13.869 7.782 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.699 13.903 8.692 1.00 0.00 O ATOM 74 NE2 GLN A 8 -1.187 13.951 6.501 1.00 0.00 N ATOM 0 H GLN A 8 -5.715 11.858 6.449 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.781 11.914 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.406 12.215 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.734 11.690 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.578 14.269 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.226 14.196 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.907 13.919 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.206 14.046 6.239 1.00 0.00 H new ATOM 83 N CYS A 9 -2.608 9.473 6.634 1.00 0.00 N ATOM 84 CA CYS A 9 -2.560 8.018 6.711 1.00 0.00 C ATOM 85 C CYS A 9 -3.080 7.528 8.060 1.00 0.00 C ATOM 86 O CYS A 9 -2.633 7.981 9.112 1.00 0.00 O ATOM 87 CB CYS A 9 -1.129 7.522 6.493 1.00 0.00 C ATOM 88 SG CYS A 9 -0.860 5.790 6.987 1.00 0.00 S ATOM 0 H CYS A 9 -1.714 9.913 6.416 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.200 7.616 5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.874 7.632 5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.445 8.159 7.054 1.00 0.00 H new ATOM 93 N GLY A 10 -4.028 6.596 8.018 1.00 0.00 N ATOM 94 CA GLY A 10 -4.594 6.059 9.242 1.00 0.00 C ATOM 95 C GLY A 10 -3.569 5.317 10.077 1.00 0.00 C ATOM 96 O GLY A 10 -3.536 5.456 11.300 1.00 0.00 O ATOM 0 H GLY A 10 -4.414 6.204 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.017 6.873 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.414 5.385 8.994 1.00 0.00 H new ATOM 100 N ALA A 11 -2.731 4.525 9.417 1.00 0.00 N ATOM 101 CA ALA A 11 -1.701 3.758 10.106 1.00 0.00 C ATOM 102 C ALA A 11 -0.845 4.659 10.990 1.00 0.00 C ATOM 103 O ALA A 11 -0.654 4.384 12.175 1.00 0.00 O ATOM 104 CB ALA A 11 -0.830 3.021 9.100 1.00 0.00 C ATOM 0 H ALA A 11 -2.745 4.398 8.405 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.194 3.027 10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.065 2.452 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.448 2.341 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.352 3.741 8.436 1.00 0.00 H new ATOM 110 N CYS A 12 -0.331 5.736 10.406 1.00 0.00 N ATOM 111 CA CYS A 12 0.506 6.678 11.140 1.00 0.00 C ATOM 112 C CYS A 12 0.048 8.114 10.900 1.00 0.00 C ATOM 113 O CYS A 12 -0.064 8.906 11.835 1.00 0.00 O ATOM 114 CB CYS A 12 1.970 6.522 10.725 1.00 0.00 C ATOM 115 SG CYS A 12 2.328 7.088 9.031 1.00 0.00 S ATOM 0 H CYS A 12 -0.479 5.978 9.426 1.00 0.00 H new ATOM 0 HA CYS A 12 0.411 6.458 12.203 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.595 7.079 11.422 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.251 5.473 10.813 1.00 0.00 H new ATOM 120 N GLY A 13 -0.215 8.442 9.638 1.00 0.00 N ATOM 121 CA GLY A 13 -0.657 9.782 9.297 1.00 0.00 C ATOM 122 C GLY A 13 0.496 10.755 9.155 1.00 0.00 C ATOM 123 O GLY A 13 0.420 11.890 9.624 1.00 0.00 O ATOM 0 H GLY A 13 -0.130 7.804 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.218 9.749 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.340 10.143 10.066 1.00 0.00 H new ATOM 127 N GLU A 14 1.568 10.309 8.508 1.00 0.00 N ATOM 128 CA GLU A 14 2.744 11.148 8.308 1.00 0.00 C ATOM 129 C GLU A 14 2.369 12.449 7.604 1.00 0.00 C ATOM 130 O GLU A 14 1.246 12.608 7.125 1.00 0.00 O ATOM 131 CB GLU A 14 3.800 10.400 7.493 1.00 0.00 C ATOM 132 CG GLU A 14 4.650 9.452 8.322 1.00 0.00 C ATOM 133 CD GLU A 14 5.852 10.137 8.943 1.00 0.00 C ATOM 134 OE1 GLU A 14 6.899 10.225 8.268 1.00 0.00 O ATOM 135 OE2 GLU A 14 5.745 10.587 10.103 1.00 0.00 O ATOM 0 H GLU A 14 1.647 9.372 8.113 1.00 0.00 H new ATOM 0 HA GLU A 14 3.157 11.390 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.304 9.834 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.451 11.125 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.037 9.016 9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.990 8.630 7.692 1.00 0.00 H new ATOM 142 N SER A 15 3.319 13.378 7.544 1.00 0.00 N ATOM 143 CA SER A 15 3.088 14.667 6.903 1.00 0.00 C ATOM 144 C SER A 15 3.515 14.628 5.438 1.00 0.00 C ATOM 145 O SER A 15 4.251 13.735 5.018 1.00 0.00 O ATOM 146 CB SER A 15 3.851 15.770 7.639 1.00 0.00 C ATOM 147 OG SER A 15 3.555 17.045 7.094 1.00 0.00 O ATOM 0 H SER A 15 4.255 13.261 7.932 1.00 0.00 H new ATOM 0 HA SER A 15 2.020 14.882 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.590 15.754 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.923 15.582 7.572 1.00 0.00 H new ATOM 0 HG SER A 15 4.053 17.733 7.582 1.00 0.00 H new ATOM 153 N TYR A 16 3.048 15.604 4.667 1.00 0.00 N ATOM 154 CA TYR A 16 3.378 15.682 3.249 1.00 0.00 C ATOM 155 C TYR A 16 4.821 15.253 3.002 1.00 0.00 C ATOM 156 O TYR A 16 5.761 15.953 3.377 1.00 0.00 O ATOM 157 CB TYR A 16 3.160 17.104 2.731 1.00 0.00 C ATOM 158 CG TYR A 16 3.408 17.252 1.247 1.00 0.00 C ATOM 159 CD1 TYR A 16 2.391 17.027 0.327 1.00 0.00 C ATOM 160 CD2 TYR A 16 4.659 17.617 0.764 1.00 0.00 C ATOM 161 CE1 TYR A 16 2.613 17.160 -1.030 1.00 0.00 C ATOM 162 CE2 TYR A 16 4.890 17.754 -0.591 1.00 0.00 C ATOM 163 CZ TYR A 16 3.864 17.524 -1.484 1.00 0.00 C ATOM 164 OH TYR A 16 4.090 17.659 -2.835 1.00 0.00 O ATOM 0 H TYR A 16 2.440 16.352 5.000 1.00 0.00 H new ATOM 0 HA TYR A 16 2.719 15.002 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.137 17.410 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.820 17.784 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.410 16.743 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.465 17.797 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.812 16.980 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.868 18.039 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 16 5.022 17.921 -2.986 1.00 0.00 H new ATOM 174 N ALA A 17 4.987 14.098 2.365 1.00 0.00 N ATOM 175 CA ALA A 17 6.315 13.576 2.064 1.00 0.00 C ATOM 176 C ALA A 17 6.724 13.910 0.634 1.00 0.00 C ATOM 177 O ALA A 17 5.908 14.370 -0.164 1.00 0.00 O ATOM 178 CB ALA A 17 6.354 12.072 2.289 1.00 0.00 C ATOM 0 H ALA A 17 4.219 13.506 2.048 1.00 0.00 H new ATOM 0 HA ALA A 17 7.027 14.051 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.351 11.696 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.113 11.853 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.626 11.588 1.639 1.00 0.00 H new ATOM 184 N ALA A 18 7.994 13.677 0.317 1.00 0.00 N ATOM 185 CA ALA A 18 8.511 13.952 -1.018 1.00 0.00 C ATOM 186 C ALA A 18 8.303 12.759 -1.944 1.00 0.00 C ATOM 187 O ALA A 18 7.565 12.844 -2.926 1.00 0.00 O ATOM 188 CB ALA A 18 9.986 14.317 -0.947 1.00 0.00 C ATOM 0 H ALA A 18 8.683 13.299 0.967 1.00 0.00 H new ATOM 0 HA ALA A 18 7.958 14.797 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.359 14.520 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.112 15.204 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.545 13.489 -0.512 1.00 0.00 H new ATOM 194 N ASP A 19 8.956 11.647 -1.625 1.00 0.00 N ATOM 195 CA ASP A 19 8.842 10.436 -2.429 1.00 0.00 C ATOM 196 C ASP A 19 8.215 9.304 -1.620 1.00 0.00 C ATOM 197 O ASP A 19 8.890 8.343 -1.254 1.00 0.00 O ATOM 198 CB ASP A 19 10.218 10.009 -2.944 1.00 0.00 C ATOM 199 CG ASP A 19 10.135 8.864 -3.934 1.00 0.00 C ATOM 200 OD1 ASP A 19 9.267 7.985 -3.753 1.00 0.00 O ATOM 201 OD2 ASP A 19 10.939 8.846 -4.890 1.00 0.00 O ATOM 0 H ASP A 19 9.570 11.559 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 19 8.195 10.653 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.706 10.861 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.842 9.712 -2.101 1.00 0.00 H new ATOM 206 N GLU A 20 6.920 9.428 -1.346 1.00 0.00 N ATOM 207 CA GLU A 20 6.203 8.416 -0.579 1.00 0.00 C ATOM 208 C GLU A 20 5.309 7.576 -1.487 1.00 0.00 C ATOM 209 O GLU A 20 4.644 8.102 -2.380 1.00 0.00 O ATOM 210 CB GLU A 20 5.361 9.075 0.515 1.00 0.00 C ATOM 211 CG GLU A 20 4.089 8.313 0.847 1.00 0.00 C ATOM 212 CD GLU A 20 4.360 7.017 1.585 1.00 0.00 C ATOM 213 OE1 GLU A 20 4.637 7.073 2.801 1.00 0.00 O ATOM 214 OE2 GLU A 20 4.296 5.946 0.945 1.00 0.00 O ATOM 0 H GLU A 20 6.347 10.218 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 20 6.939 7.760 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.964 9.170 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.098 10.085 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.440 8.944 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.549 8.096 -0.075 1.00 0.00 H new ATOM 221 N PHE A 21 5.299 6.268 -1.254 1.00 0.00 N ATOM 222 CA PHE A 21 4.489 5.355 -2.051 1.00 0.00 C ATOM 223 C PHE A 21 3.186 5.016 -1.333 1.00 0.00 C ATOM 224 O PHE A 21 3.181 4.275 -0.350 1.00 0.00 O ATOM 225 CB PHE A 21 5.270 4.073 -2.347 1.00 0.00 C ATOM 226 CG PHE A 21 4.394 2.868 -2.535 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.346 2.891 -3.441 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.618 1.711 -1.806 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.538 1.783 -3.617 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.814 0.600 -1.978 1.00 0.00 C ATOM 231 CZ PHE A 21 2.772 0.637 -2.884 1.00 0.00 C ATOM 0 H PHE A 21 5.843 5.816 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 21 4.247 5.850 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.869 4.221 -3.246 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.965 3.883 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.158 3.785 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.430 1.677 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.725 1.814 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.000 -0.296 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.141 -0.229 -3.019 1.00 0.00 H new ATOM 241 N TRP A 22 2.084 5.564 -1.832 1.00 0.00 N ATOM 242 CA TRP A 22 0.774 5.321 -1.239 1.00 0.00 C ATOM 243 C TRP A 22 0.097 4.119 -1.888 1.00 0.00 C ATOM 244 O TRP A 22 0.359 3.799 -3.048 1.00 0.00 O ATOM 245 CB TRP A 22 -0.112 6.559 -1.382 1.00 0.00 C ATOM 246 CG TRP A 22 0.564 7.826 -0.950 1.00 0.00 C ATOM 247 CD1 TRP A 22 1.504 8.531 -1.646 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.352 8.535 0.275 1.00 0.00 C ATOM 249 NE1 TRP A 22 1.890 9.636 -0.926 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.197 9.662 0.255 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.471 8.330 1.386 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.242 10.577 1.304 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.424 9.239 2.426 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.426 10.351 2.379 1.00 0.00 C ATOM 0 H TRP A 22 2.071 6.179 -2.645 1.00 0.00 H new ATOM 0 HA TRP A 22 0.917 5.106 -0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.422 6.657 -2.422 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.018 6.419 -0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.887 8.260 -2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.581 10.325 -1.223 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.132 7.477 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.898 11.435 1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.054 9.089 3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.438 11.044 3.207 1.00 0.00 H new ATOM 265 N ILE A 23 -0.774 3.457 -1.134 1.00 0.00 N ATOM 266 CA ILE A 23 -1.489 2.291 -1.638 1.00 0.00 C ATOM 267 C ILE A 23 -2.934 2.638 -1.982 1.00 0.00 C ATOM 268 O ILE A 23 -3.505 3.578 -1.428 1.00 0.00 O ATOM 269 CB ILE A 23 -1.479 1.139 -0.616 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.553 1.364 0.450 1.00 0.00 C ATOM 271 CG2 ILE A 23 -0.106 1.013 0.027 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.948 1.007 -0.013 1.00 0.00 C ATOM 0 H ILE A 23 -1.002 3.708 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.970 1.969 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.701 0.208 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.309 0.771 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.537 2.410 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.115 0.195 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.639 0.811 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.143 1.943 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.657 1.192 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.213 1.618 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.981 -0.046 -0.291 1.00 0.00 H new ATOM 284 N CYS A 24 -3.518 1.873 -2.896 1.00 0.00 N ATOM 285 CA CYS A 24 -4.898 2.099 -3.314 1.00 0.00 C ATOM 286 C CYS A 24 -5.836 1.093 -2.655 1.00 0.00 C ATOM 287 O CYS A 24 -5.493 -0.078 -2.491 1.00 0.00 O ATOM 288 CB CYS A 24 -5.014 2.003 -4.836 1.00 0.00 C ATOM 289 SG CYS A 24 -6.708 2.129 -5.455 1.00 0.00 S ATOM 0 H CYS A 24 -3.059 1.091 -3.362 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.189 3.101 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.414 2.794 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.588 1.054 -5.163 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.704 2.039 -6.752 1.00 0.00 H new ATOM 295 N CYS A 25 -7.023 1.557 -2.278 1.00 0.00 N ATOM 296 CA CYS A 25 -8.011 0.700 -1.635 1.00 0.00 C ATOM 297 C CYS A 25 -9.375 0.844 -2.306 1.00 0.00 C ATOM 298 O CYS A 25 -9.962 1.926 -2.314 1.00 0.00 O ATOM 299 CB CYS A 25 -8.123 1.042 -0.148 1.00 0.00 C ATOM 300 SG CYS A 25 -9.134 -0.132 0.810 1.00 0.00 S ATOM 0 H CYS A 25 -7.324 2.523 -2.407 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.682 -0.334 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.122 1.078 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.550 2.040 -0.047 1.00 0.00 H new ATOM 305 N ASP A 26 -9.871 -0.253 -2.866 1.00 0.00 N ATOM 306 CA ASP A 26 -11.165 -0.250 -3.538 1.00 0.00 C ATOM 307 C ASP A 26 -12.301 -0.398 -2.530 1.00 0.00 C ATOM 308 O ASP A 26 -13.307 -1.055 -2.803 1.00 0.00 O ATOM 309 CB ASP A 26 -11.232 -1.378 -4.568 1.00 0.00 C ATOM 310 CG ASP A 26 -10.658 -0.971 -5.911 1.00 0.00 C ATOM 311 OD1 ASP A 26 -9.551 -0.392 -5.932 1.00 0.00 O ATOM 312 OD2 ASP A 26 -11.315 -1.230 -6.940 1.00 0.00 O ATOM 0 H ASP A 26 -9.397 -1.156 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.278 0.706 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.687 -2.243 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.269 -1.686 -4.698 1.00 0.00 H new ATOM 317 N LEU A 27 -12.133 0.216 -1.364 1.00 0.00 N ATOM 318 CA LEU A 27 -13.144 0.152 -0.313 1.00 0.00 C ATOM 319 C LEU A 27 -13.382 1.530 0.298 1.00 0.00 C ATOM 320 O LEU A 27 -14.450 2.119 0.129 1.00 0.00 O ATOM 321 CB LEU A 27 -12.716 -0.834 0.775 1.00 0.00 C ATOM 322 CG LEU A 27 -12.870 -2.317 0.435 1.00 0.00 C ATOM 323 CD1 LEU A 27 -11.804 -3.140 1.143 1.00 0.00 C ATOM 324 CD2 LEU A 27 -14.261 -2.808 0.808 1.00 0.00 C ATOM 0 H LEU A 27 -11.307 0.764 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.076 -0.193 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.671 -0.644 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.296 -0.626 1.674 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.740 -2.439 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.929 -4.193 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.816 -2.805 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.902 -3.012 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.353 -3.865 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.420 -2.672 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.008 -2.239 0.255 1.00 0.00 H new ATOM 336 N CYS A 28 -12.379 2.038 1.006 1.00 0.00 N ATOM 337 CA CYS A 28 -12.477 3.347 1.641 1.00 0.00 C ATOM 338 C CYS A 28 -11.807 4.418 0.785 1.00 0.00 C ATOM 339 O CYS A 28 -12.227 5.575 0.782 1.00 0.00 O ATOM 340 CB CYS A 28 -11.836 3.313 3.030 1.00 0.00 C ATOM 341 SG CYS A 28 -10.029 3.085 3.008 1.00 0.00 S ATOM 0 H CYS A 28 -11.489 1.563 1.155 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.533 3.596 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.068 4.243 3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.287 2.505 3.607 1.00 0.00 H new ATOM 346 N GLU A 29 -10.765 4.023 0.061 1.00 0.00 N ATOM 347 CA GLU A 29 -10.037 4.950 -0.797 1.00 0.00 C ATOM 348 C GLU A 29 -9.295 5.993 0.033 1.00 0.00 C ATOM 349 O GLU A 29 -9.347 7.187 -0.260 1.00 0.00 O ATOM 350 CB GLU A 29 -10.997 5.642 -1.767 1.00 0.00 C ATOM 351 CG GLU A 29 -10.363 5.996 -3.102 1.00 0.00 C ATOM 352 CD GLU A 29 -9.740 7.379 -3.103 1.00 0.00 C ATOM 353 OE1 GLU A 29 -10.350 8.305 -2.529 1.00 0.00 O ATOM 354 OE2 GLU A 29 -8.643 7.535 -3.679 1.00 0.00 O ATOM 0 H GLU A 29 -10.406 3.068 0.051 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.305 4.378 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.854 4.992 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.377 6.552 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.599 5.257 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.119 5.942 -3.885 1.00 0.00 H new ATOM 361 N MET A 30 -8.605 5.532 1.072 1.00 0.00 N ATOM 362 CA MET A 30 -7.852 6.425 1.945 1.00 0.00 C ATOM 363 C MET A 30 -6.438 6.640 1.414 1.00 0.00 C ATOM 364 O MET A 30 -6.093 6.163 0.333 1.00 0.00 O ATOM 365 CB MET A 30 -7.796 5.857 3.365 1.00 0.00 C ATOM 366 CG MET A 30 -8.947 6.311 4.247 1.00 0.00 C ATOM 367 SD MET A 30 -8.774 5.759 5.954 1.00 0.00 S ATOM 368 CE MET A 30 -8.745 7.328 6.817 1.00 0.00 C ATOM 0 H MET A 30 -8.552 4.546 1.329 1.00 0.00 H new ATOM 0 HA MET A 30 -8.363 7.388 1.967 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.797 4.768 3.312 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.855 6.153 3.829 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.009 7.399 4.226 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.884 5.931 3.840 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.642 7.152 7.888 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.902 7.922 6.464 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.673 7.866 6.625 1.00 0.00 H new ATOM 378 N TRP A 31 -5.627 7.359 2.181 1.00 0.00 N ATOM 379 CA TRP A 31 -4.250 7.637 1.786 1.00 0.00 C ATOM 380 C TRP A 31 -3.266 6.969 2.740 1.00 0.00 C ATOM 381 O TRP A 31 -2.824 7.575 3.716 1.00 0.00 O ATOM 382 CB TRP A 31 -4.002 9.146 1.752 1.00 0.00 C ATOM 383 CG TRP A 31 -4.476 9.797 0.488 1.00 0.00 C ATOM 384 CD1 TRP A 31 -5.735 9.744 -0.039 1.00 0.00 C ATOM 385 CD2 TRP A 31 -3.698 10.597 -0.408 1.00 0.00 C ATOM 386 NE1 TRP A 31 -5.786 10.463 -1.209 1.00 0.00 N ATOM 387 CE2 TRP A 31 -4.549 10.997 -1.457 1.00 0.00 C ATOM 388 CE3 TRP A 31 -2.365 11.016 -0.426 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -4.109 11.794 -2.510 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -1.929 11.807 -1.473 1.00 0.00 C ATOM 391 CH2 TRP A 31 -2.799 12.190 -2.502 1.00 0.00 C ATOM 0 H TRP A 31 -5.898 7.760 3.079 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.095 7.228 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.505 9.609 2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.935 9.335 1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.568 9.215 0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.611 10.580 -1.797 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.687 10.727 0.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.778 12.089 -3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.900 12.135 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.429 12.810 -3.305 1.00 0.00 H new ATOM 402 N PHE A 32 -2.924 5.717 2.450 1.00 0.00 N ATOM 403 CA PHE A 32 -1.992 4.967 3.283 1.00 0.00 C ATOM 404 C PHE A 32 -0.622 4.875 2.618 1.00 0.00 C ATOM 405 O PHE A 32 -0.409 5.412 1.530 1.00 0.00 O ATOM 406 CB PHE A 32 -2.534 3.563 3.555 1.00 0.00 C ATOM 407 CG PHE A 32 -3.924 3.557 4.126 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.160 4.008 5.414 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.994 3.100 3.373 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.438 4.005 5.942 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.274 3.094 3.895 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.496 3.546 5.181 1.00 0.00 C ATOM 0 H PHE A 32 -3.279 5.201 1.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.883 5.496 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.529 2.994 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.864 3.051 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.336 4.366 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.826 2.745 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.609 4.361 6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.100 2.736 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.495 3.541 5.591 1.00 0.00 H new ATOM 422 N HIS A 33 0.306 4.191 3.280 1.00 0.00 N ATOM 423 CA HIS A 33 1.657 4.028 2.754 1.00 0.00 C ATOM 424 C HIS A 33 1.994 2.551 2.572 1.00 0.00 C ATOM 425 O HIS A 33 1.705 1.727 3.438 1.00 0.00 O ATOM 426 CB HIS A 33 2.674 4.684 3.689 1.00 0.00 C ATOM 427 CG HIS A 33 2.249 6.032 4.185 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.494 6.474 5.468 1.00 0.00 N ATOM 429 CD2 HIS A 33 1.592 7.038 3.561 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.005 7.693 5.612 1.00 0.00 C ATOM 431 NE2 HIS A 33 1.453 8.059 4.470 1.00 0.00 N ATOM 0 H HIS A 33 0.147 3.741 4.181 1.00 0.00 H new ATOM 0 HA HIS A 33 1.703 4.516 1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.845 4.029 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.626 4.782 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.242 7.038 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.049 8.289 6.512 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.997 8.954 4.291 1.00 0.00 H new ATOM 439 N GLY A 34 2.608 2.225 1.439 1.00 0.00 N ATOM 440 CA GLY A 34 2.974 0.847 1.164 1.00 0.00 C ATOM 441 C GLY A 34 3.473 0.122 2.398 1.00 0.00 C ATOM 442 O GLY A 34 2.872 -0.858 2.837 1.00 0.00 O ATOM 0 H GLY A 34 2.859 2.890 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.110 0.319 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.748 0.826 0.396 1.00 0.00 H new ATOM 446 N LYS A 35 4.577 0.604 2.959 1.00 0.00 N ATOM 447 CA LYS A 35 5.159 -0.004 4.149 1.00 0.00 C ATOM 448 C LYS A 35 4.122 -0.120 5.263 1.00 0.00 C ATOM 449 O LYS A 35 4.011 -1.158 5.915 1.00 0.00 O ATOM 450 CB LYS A 35 6.354 0.819 4.635 1.00 0.00 C ATOM 451 CG LYS A 35 7.443 0.986 3.589 1.00 0.00 C ATOM 452 CD LYS A 35 8.594 1.828 4.112 1.00 0.00 C ATOM 453 CE LYS A 35 9.786 1.791 3.167 1.00 0.00 C ATOM 454 NZ LYS A 35 10.974 2.477 3.746 1.00 0.00 N ATOM 0 H LYS A 35 5.087 1.415 2.608 1.00 0.00 H new ATOM 0 HA LYS A 35 5.498 -1.006 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.004 1.804 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.779 0.341 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.815 0.006 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.024 1.454 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.263 2.858 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.896 1.464 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.039 0.755 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.516 2.266 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.765 2.430 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.741 3.472 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.247 2.008 4.633 1.00 0.00 H new ATOM 468 N CYS A 36 3.364 0.951 5.473 1.00 0.00 N ATOM 469 CA CYS A 36 2.336 0.969 6.506 1.00 0.00 C ATOM 470 C CYS A 36 1.330 -0.159 6.293 1.00 0.00 C ATOM 471 O CYS A 36 0.948 -0.851 7.236 1.00 0.00 O ATOM 472 CB CYS A 36 1.613 2.318 6.511 1.00 0.00 C ATOM 473 SG CYS A 36 2.369 3.563 7.605 1.00 0.00 S ATOM 0 H CYS A 36 3.443 1.818 4.941 1.00 0.00 H new ATOM 0 HA CYS A 36 2.822 0.821 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.590 2.710 5.494 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.578 2.162 6.816 1.00 0.00 H new ATOM 478 N VAL A 37 0.906 -0.338 5.046 1.00 0.00 N ATOM 479 CA VAL A 37 -0.054 -1.382 4.708 1.00 0.00 C ATOM 480 C VAL A 37 0.634 -2.735 4.564 1.00 0.00 C ATOM 481 O VAL A 37 0.058 -3.683 4.031 1.00 0.00 O ATOM 482 CB VAL A 37 -0.800 -1.056 3.400 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.537 0.269 3.521 1.00 0.00 C ATOM 484 CG2 VAL A 37 0.168 -1.032 2.227 1.00 0.00 C ATOM 0 H VAL A 37 1.212 0.226 4.253 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.773 -1.428 5.526 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.537 -1.838 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.058 0.482 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.260 0.210 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.822 1.065 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.376 -0.800 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.930 -0.271 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.645 -2.007 2.129 1.00 0.00 H new ATOM 494 N LYS A 38 1.870 -2.818 5.044 1.00 0.00 N ATOM 495 CA LYS A 38 2.638 -4.055 4.972 1.00 0.00 C ATOM 496 C LYS A 38 2.857 -4.476 3.522 1.00 0.00 C ATOM 497 O LYS A 38 2.685 -5.644 3.172 1.00 0.00 O ATOM 498 CB LYS A 38 1.920 -5.170 5.735 1.00 0.00 C ATOM 499 CG LYS A 38 2.109 -5.097 7.240 1.00 0.00 C ATOM 500 CD LYS A 38 1.612 -6.358 7.927 1.00 0.00 C ATOM 501 CE LYS A 38 2.711 -7.403 8.036 1.00 0.00 C ATOM 502 NZ LYS A 38 2.740 -8.304 6.851 1.00 0.00 N ATOM 0 H LYS A 38 2.362 -2.042 5.488 1.00 0.00 H new ATOM 0 HA LYS A 38 3.611 -3.877 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.855 -5.126 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.282 -6.134 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.165 -4.949 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.574 -4.233 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.244 -6.110 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.771 -6.770 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.676 -6.906 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.561 -7.995 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.686 -9.294 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.930 -8.093 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.624 -8.156 6.324 1.00 0.00 H new ATOM 516 N ILE A 39 3.237 -3.518 2.683 1.00 0.00 N ATOM 517 CA ILE A 39 3.481 -3.790 1.273 1.00 0.00 C ATOM 518 C ILE A 39 4.668 -2.985 0.754 1.00 0.00 C ATOM 519 O ILE A 39 4.819 -1.805 1.073 1.00 0.00 O ATOM 520 CB ILE A 39 2.243 -3.470 0.414 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.106 -4.441 0.738 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.594 -3.530 -1.065 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.209 -4.068 0.091 1.00 0.00 C ATOM 0 H ILE A 39 3.382 -2.546 2.956 1.00 0.00 H new ATOM 0 HA ILE A 39 3.704 -4.854 1.192 1.00 0.00 H new ATOM 0 HB ILE A 39 1.909 -2.459 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.390 -5.442 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.971 -4.482 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.709 -3.302 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.375 -2.802 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.950 -4.530 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.969 -4.800 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.516 -3.080 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.091 -4.055 -0.992 1.00 0.00 H new ATOM 535 N THR A 40 5.508 -3.630 -0.049 1.00 0.00 N ATOM 536 CA THR A 40 6.681 -2.974 -0.613 1.00 0.00 C ATOM 537 C THR A 40 6.327 -2.209 -1.883 1.00 0.00 C ATOM 538 O THR A 40 5.371 -2.536 -2.587 1.00 0.00 O ATOM 539 CB THR A 40 7.794 -3.990 -0.933 1.00 0.00 C ATOM 540 OG1 THR A 40 7.275 -5.040 -1.757 1.00 0.00 O ATOM 541 CG2 THR A 40 8.373 -4.579 0.344 1.00 0.00 C ATOM 0 H THR A 40 5.398 -4.606 -0.323 1.00 0.00 H new ATOM 0 HA THR A 40 7.043 -2.274 0.140 1.00 0.00 H new ATOM 0 HB THR A 40 8.589 -3.469 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.988 -5.681 -1.958 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.157 -5.293 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.793 -3.780 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.585 -5.086 0.901 1.00 0.00 H new ATOM 549 N PRO A 41 7.113 -1.165 -2.185 1.00 0.00 N ATOM 550 CA PRO A 41 6.902 -0.333 -3.373 1.00 0.00 C ATOM 551 C PRO A 41 7.223 -1.075 -4.666 1.00 0.00 C ATOM 552 O PRO A 41 6.991 -0.563 -5.761 1.00 0.00 O ATOM 553 CB PRO A 41 7.875 0.831 -3.169 1.00 0.00 C ATOM 554 CG PRO A 41 8.945 0.280 -2.291 1.00 0.00 C ATOM 555 CD PRO A 41 8.270 -0.718 -1.391 1.00 0.00 C ATOM 0 HA PRO A 41 5.862 -0.024 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.282 1.178 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.381 1.684 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.728 -0.195 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.419 1.071 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.932 -1.548 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.960 -0.265 -0.449 1.00 0.00 H new ATOM 563 N ALA A 42 7.757 -2.285 -4.531 1.00 0.00 N ATOM 564 CA ALA A 42 8.108 -3.098 -5.689 1.00 0.00 C ATOM 565 C ALA A 42 6.994 -4.084 -6.024 1.00 0.00 C ATOM 566 O ALA A 42 6.618 -4.239 -7.187 1.00 0.00 O ATOM 567 CB ALA A 42 9.413 -3.839 -5.438 1.00 0.00 C ATOM 0 H ALA A 42 7.956 -2.723 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 42 8.239 -2.433 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.663 -4.442 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.211 -3.119 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.302 -4.487 -4.569 1.00 0.00 H new ATOM 573 N ARG A 43 6.470 -4.749 -5.000 1.00 0.00 N ATOM 574 CA ARG A 43 5.400 -5.722 -5.187 1.00 0.00 C ATOM 575 C ARG A 43 4.107 -5.033 -5.610 1.00 0.00 C ATOM 576 O ARG A 43 3.353 -5.555 -6.431 1.00 0.00 O ATOM 577 CB ARG A 43 5.171 -6.514 -3.898 1.00 0.00 C ATOM 578 CG ARG A 43 3.926 -7.385 -3.932 1.00 0.00 C ATOM 579 CD ARG A 43 3.554 -7.880 -2.543 1.00 0.00 C ATOM 580 NE ARG A 43 2.827 -9.146 -2.590 1.00 0.00 N ATOM 581 CZ ARG A 43 2.837 -10.035 -1.603 1.00 0.00 C ATOM 582 NH1 ARG A 43 3.532 -9.798 -0.499 1.00 0.00 N ATOM 583 NH2 ARG A 43 2.150 -11.165 -1.720 1.00 0.00 N ATOM 0 H ARG A 43 6.769 -4.632 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 43 5.701 -6.408 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.040 -7.144 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.095 -5.818 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.095 -6.818 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.095 -8.237 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.459 -8.003 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.943 -7.129 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 43 2.282 -9.359 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.061 -8.931 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.538 -10.483 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.614 -11.351 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.158 -11.847 -0.962 1.00 0.00 H new ATOM 597 N ALA A 44 3.856 -3.857 -5.044 1.00 0.00 N ATOM 598 CA ALA A 44 2.654 -3.095 -5.363 1.00 0.00 C ATOM 599 C ALA A 44 2.347 -3.157 -6.856 1.00 0.00 C ATOM 600 O ALA A 44 1.189 -3.279 -7.255 1.00 0.00 O ATOM 601 CB ALA A 44 2.810 -1.650 -4.913 1.00 0.00 C ATOM 0 H ALA A 44 4.469 -3.411 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 44 1.816 -3.541 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.905 -1.093 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.975 -1.620 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.662 -1.200 -5.423 1.00 0.00 H new ATOM 607 N GLU A 45 3.391 -3.070 -7.675 1.00 0.00 N ATOM 608 CA GLU A 45 3.230 -3.114 -9.123 1.00 0.00 C ATOM 609 C GLU A 45 2.296 -4.249 -9.533 1.00 0.00 C ATOM 610 O GLU A 45 1.432 -4.078 -10.394 1.00 0.00 O ATOM 611 CB GLU A 45 4.589 -3.286 -9.805 1.00 0.00 C ATOM 612 CG GLU A 45 5.445 -2.031 -9.780 1.00 0.00 C ATOM 613 CD GLU A 45 4.678 -0.793 -10.201 1.00 0.00 C ATOM 614 OE1 GLU A 45 4.375 -0.665 -11.406 1.00 0.00 O ATOM 615 OE2 GLU A 45 4.381 0.048 -9.327 1.00 0.00 O ATOM 0 H GLU A 45 4.356 -2.969 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 45 2.788 -2.170 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.131 -4.096 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.431 -3.587 -10.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.840 -1.885 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.301 -2.166 -10.442 1.00 0.00 H new ATOM 622 N HIS A 46 2.476 -5.410 -8.910 1.00 0.00 N ATOM 623 CA HIS A 46 1.650 -6.574 -9.209 1.00 0.00 C ATOM 624 C HIS A 46 0.261 -6.427 -8.597 1.00 0.00 C ATOM 625 O HIS A 46 -0.741 -6.798 -9.210 1.00 0.00 O ATOM 626 CB HIS A 46 2.318 -7.847 -8.687 1.00 0.00 C ATOM 627 CG HIS A 46 3.637 -8.140 -9.334 1.00 0.00 C ATOM 628 ND1 HIS A 46 3.766 -8.930 -10.456 1.00 0.00 N ATOM 629 CD2 HIS A 46 4.889 -7.741 -9.010 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.041 -9.007 -10.794 1.00 0.00 C ATOM 631 NE2 HIS A 46 5.743 -8.294 -9.932 1.00 0.00 N ATOM 0 H HIS A 46 3.186 -5.569 -8.195 1.00 0.00 H new ATOM 0 HA HIS A 46 1.545 -6.645 -10.292 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.463 -7.756 -7.610 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.648 -8.691 -8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.165 -7.106 -8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.441 -9.559 -11.632 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.756 -8.174 -9.949 1.00 0.00 H new ATOM 640 N ILE A 47 0.208 -5.884 -7.385 1.00 0.00 N ATOM 641 CA ILE A 47 -1.058 -5.687 -6.691 1.00 0.00 C ATOM 642 C ILE A 47 -1.908 -4.629 -7.386 1.00 0.00 C ATOM 643 O ILE A 47 -1.407 -3.577 -7.784 1.00 0.00 O ATOM 644 CB ILE A 47 -0.838 -5.270 -5.225 1.00 0.00 C ATOM 645 CG1 ILE A 47 -0.021 -6.333 -4.487 1.00 0.00 C ATOM 646 CG2 ILE A 47 -2.173 -5.044 -4.532 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.471 -5.883 -3.129 1.00 0.00 C ATOM 0 H ILE A 47 1.028 -5.573 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.581 -6.643 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.280 -4.334 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.631 -7.228 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.836 -6.612 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.000 -4.750 -3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.721 -4.255 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.755 -5.965 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.042 -6.687 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.108 -5.006 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.382 -5.632 -2.498 1.00 0.00 H new ATOM 659 N LYS A 48 -3.198 -4.913 -7.528 1.00 0.00 N ATOM 660 CA LYS A 48 -4.120 -3.986 -8.173 1.00 0.00 C ATOM 661 C LYS A 48 -5.131 -3.439 -7.170 1.00 0.00 C ATOM 662 O LYS A 48 -5.174 -2.237 -6.912 1.00 0.00 O ATOM 663 CB LYS A 48 -4.852 -4.679 -9.324 1.00 0.00 C ATOM 664 CG LYS A 48 -5.615 -3.722 -10.224 1.00 0.00 C ATOM 665 CD LYS A 48 -7.029 -3.491 -9.720 1.00 0.00 C ATOM 666 CE LYS A 48 -7.807 -2.568 -10.646 1.00 0.00 C ATOM 667 NZ LYS A 48 -8.026 -3.181 -11.985 1.00 0.00 N ATOM 0 H LYS A 48 -3.629 -5.779 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.540 -3.153 -8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.128 -5.230 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.548 -5.411 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.086 -2.770 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.650 -4.123 -11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.547 -4.446 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.994 -3.059 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.770 -2.328 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.266 -1.629 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.724 -2.620 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.128 -3.200 -12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.380 -4.152 -11.869 1.00 0.00 H new ATOM 681 N GLN A 49 -5.941 -4.330 -6.607 1.00 0.00 N ATOM 682 CA GLN A 49 -6.951 -3.935 -5.632 1.00 0.00 C ATOM 683 C GLN A 49 -6.700 -4.608 -4.286 1.00 0.00 C ATOM 684 O GLN A 49 -7.343 -5.602 -3.948 1.00 0.00 O ATOM 685 CB GLN A 49 -8.349 -4.292 -6.141 1.00 0.00 C ATOM 686 CG GLN A 49 -8.444 -5.692 -6.726 1.00 0.00 C ATOM 687 CD GLN A 49 -9.860 -6.235 -6.711 1.00 0.00 C ATOM 688 OE1 GLN A 49 -10.566 -6.184 -7.719 1.00 0.00 O ATOM 689 NE2 GLN A 49 -10.282 -6.758 -5.566 1.00 0.00 N ATOM 0 H GLN A 49 -5.918 -5.330 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.886 -2.855 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.060 -4.201 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.646 -3.569 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.074 -5.679 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.796 -6.362 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.662 -6.779 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.226 -7.139 -5.496 1.00 0.00 H new ATOM 698 N TYR A 50 -5.761 -4.059 -3.523 1.00 0.00 N ATOM 699 CA TYR A 50 -5.423 -4.608 -2.215 1.00 0.00 C ATOM 700 C TYR A 50 -6.361 -4.068 -1.139 1.00 0.00 C ATOM 701 O TYR A 50 -6.874 -2.954 -1.248 1.00 0.00 O ATOM 702 CB TYR A 50 -3.974 -4.275 -1.858 1.00 0.00 C ATOM 703 CG TYR A 50 -3.672 -4.389 -0.381 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.481 -5.629 0.215 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.580 -3.257 0.419 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.206 -5.739 1.565 1.00 0.00 C ATOM 707 CE2 TYR A 50 -3.304 -3.356 1.769 1.00 0.00 C ATOM 708 CZ TYR A 50 -3.118 -4.599 2.337 1.00 0.00 C ATOM 709 OH TYR A 50 -2.844 -4.703 3.682 1.00 0.00 O ATOM 0 H TYR A 50 -5.221 -3.235 -3.787 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.539 -5.691 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.311 -4.942 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.751 -3.260 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.549 -6.523 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.727 -2.282 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.061 -6.711 2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.234 -2.465 2.376 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.925 -4.408 3.852 1.00 0.00 H new ATOM 719 N LYS A 51 -6.579 -4.865 -0.099 1.00 0.00 N ATOM 720 CA LYS A 51 -7.452 -4.470 0.999 1.00 0.00 C ATOM 721 C LYS A 51 -6.650 -3.831 2.129 1.00 0.00 C ATOM 722 O LYS A 51 -5.942 -4.518 2.867 1.00 0.00 O ATOM 723 CB LYS A 51 -8.222 -5.682 1.528 1.00 0.00 C ATOM 724 CG LYS A 51 -9.441 -5.314 2.356 1.00 0.00 C ATOM 725 CD LYS A 51 -10.380 -6.497 2.523 1.00 0.00 C ATOM 726 CE LYS A 51 -11.746 -6.059 3.027 1.00 0.00 C ATOM 727 NZ LYS A 51 -12.679 -7.210 3.174 1.00 0.00 N ATOM 0 H LYS A 51 -6.162 -5.790 0.006 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.161 -3.735 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.538 -6.297 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.552 -6.291 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.123 -4.960 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.972 -4.491 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.491 -7.012 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.945 -7.212 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.634 -5.557 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.172 -5.332 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.599 -6.869 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.806 -7.674 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.285 -7.892 3.853 1.00 0.00 H new ATOM 741 N CYS A 52 -6.766 -2.514 2.261 1.00 0.00 N ATOM 742 CA CYS A 52 -6.053 -1.783 3.301 1.00 0.00 C ATOM 743 C CYS A 52 -6.259 -2.437 4.664 1.00 0.00 C ATOM 744 O CYS A 52 -7.256 -3.118 4.910 1.00 0.00 O ATOM 745 CB CYS A 52 -6.524 -0.328 3.345 1.00 0.00 C ATOM 746 SG CYS A 52 -8.136 -0.092 4.161 1.00 0.00 S ATOM 0 H CYS A 52 -7.348 -1.931 1.660 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.990 -1.807 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.775 0.270 3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.585 0.054 2.326 1.00 0.00 H new ATOM 751 N PRO A 53 -5.295 -2.228 5.573 1.00 0.00 N ATOM 752 CA PRO A 53 -5.348 -2.787 6.927 1.00 0.00 C ATOM 753 C PRO A 53 -6.431 -2.137 7.781 1.00 0.00 C ATOM 754 O PRO A 53 -6.629 -2.508 8.938 1.00 0.00 O ATOM 755 CB PRO A 53 -3.961 -2.476 7.493 1.00 0.00 C ATOM 756 CG PRO A 53 -3.497 -1.285 6.728 1.00 0.00 C ATOM 757 CD PRO A 53 -4.080 -1.427 5.349 1.00 0.00 C ATOM 0 HA PRO A 53 -5.592 -3.849 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.008 -2.266 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.282 -3.319 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.833 -0.362 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.408 -1.245 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.313 -0.457 4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.389 -1.927 4.670 1.00 0.00 H new ATOM 765 N SER A 54 -7.129 -1.164 7.203 1.00 0.00 N ATOM 766 CA SER A 54 -8.190 -0.460 7.914 1.00 0.00 C ATOM 767 C SER A 54 -9.551 -1.078 7.610 1.00 0.00 C ATOM 768 O SER A 54 -10.468 -1.025 8.430 1.00 0.00 O ATOM 769 CB SER A 54 -8.194 1.021 7.530 1.00 0.00 C ATOM 770 OG SER A 54 -9.406 1.645 7.915 1.00 0.00 O ATOM 0 H SER A 54 -6.979 -0.846 6.246 1.00 0.00 H new ATOM 0 HA SER A 54 -7.999 -0.551 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.354 1.526 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.056 1.121 6.453 1.00 0.00 H new ATOM 0 HG SER A 54 -9.382 2.591 7.660 1.00 0.00 H new ATOM 776 N CYS A 55 -9.676 -1.666 6.424 1.00 0.00 N ATOM 777 CA CYS A 55 -10.924 -2.295 6.009 1.00 0.00 C ATOM 778 C CYS A 55 -10.916 -3.786 6.335 1.00 0.00 C ATOM 779 O CYS A 55 -11.861 -4.308 6.925 1.00 0.00 O ATOM 780 CB CYS A 55 -11.148 -2.091 4.510 1.00 0.00 C ATOM 781 SG CYS A 55 -11.508 -0.368 4.040 1.00 0.00 S ATOM 0 H CYS A 55 -8.927 -1.720 5.733 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.739 -1.825 6.559 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.261 -2.425 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.974 -2.725 4.187 1.00 0.00 H new ATOM 786 N SER A 56 -9.841 -4.465 5.946 1.00 0.00 N ATOM 787 CA SER A 56 -9.711 -5.896 6.193 1.00 0.00 C ATOM 788 C SER A 56 -10.108 -6.239 7.626 1.00 0.00 C ATOM 789 O SER A 56 -10.506 -7.365 7.919 1.00 0.00 O ATOM 790 CB SER A 56 -8.275 -6.353 5.926 1.00 0.00 C ATOM 791 OG SER A 56 -8.065 -6.594 4.546 1.00 0.00 O ATOM 0 H SER A 56 -9.048 -4.047 5.459 1.00 0.00 H new ATOM 0 HA SER A 56 -10.384 -6.419 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.577 -5.592 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.068 -7.261 6.493 1.00 0.00 H new ATOM 0 HG SER A 56 -7.140 -6.883 4.401 1.00 0.00 H new ATOM 797 N ASN A 57 -9.995 -5.257 8.515 1.00 0.00 N ATOM 798 CA ASN A 57 -10.341 -5.453 9.918 1.00 0.00 C ATOM 799 C ASN A 57 -11.748 -4.941 10.208 1.00 0.00 C ATOM 800 O ASN A 57 -12.632 -5.705 10.597 1.00 0.00 O ATOM 801 CB ASN A 57 -9.331 -4.740 10.818 1.00 0.00 C ATOM 802 CG ASN A 57 -9.187 -5.410 12.171 1.00 0.00 C ATOM 803 OD1 ASN A 57 -9.279 -6.633 12.283 1.00 0.00 O ATOM 804 ND2 ASN A 57 -8.961 -4.611 13.207 1.00 0.00 N ATOM 0 H ASN A 57 -9.667 -4.318 8.289 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.313 -6.522 10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.360 -4.716 10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.642 -3.705 10.960 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.856 -5.005 14.142 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.892 -3.603 13.068 1.00 0.00 H new ATOM 811 N LYS A 58 -11.950 -3.641 10.016 1.00 0.00 N ATOM 812 CA LYS A 58 -13.250 -3.025 10.254 1.00 0.00 C ATOM 813 C LYS A 58 -13.723 -3.287 11.680 1.00 0.00 C ATOM 814 O LYS A 58 -14.917 -3.456 11.927 1.00 0.00 O ATOM 815 CB LYS A 58 -14.281 -3.559 9.257 1.00 0.00 C ATOM 816 CG LYS A 58 -14.153 -2.957 7.869 1.00 0.00 C ATOM 817 CD LYS A 58 -15.015 -1.715 7.718 1.00 0.00 C ATOM 818 CE LYS A 58 -15.072 -1.248 6.271 1.00 0.00 C ATOM 819 NZ LYS A 58 -16.183 -1.898 5.522 1.00 0.00 N ATOM 0 H LYS A 58 -11.229 -2.994 9.696 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.145 -1.949 10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.178 -4.642 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.282 -3.359 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.111 -2.703 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.444 -3.696 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.024 -1.926 8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.617 -0.916 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.200 -0.166 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.124 -1.470 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.188 -1.554 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.048 -2.929 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.090 -1.666 5.975 1.00 0.00 H new ATOM 833 N SER A 59 -12.779 -3.318 12.616 1.00 0.00 N ATOM 834 CA SER A 59 -13.099 -3.562 14.017 1.00 0.00 C ATOM 835 C SER A 59 -14.222 -2.641 14.486 1.00 0.00 C ATOM 836 O SER A 59 -14.144 -1.423 14.337 1.00 0.00 O ATOM 837 CB SER A 59 -11.859 -3.356 14.889 1.00 0.00 C ATOM 838 OG SER A 59 -11.369 -2.031 14.774 1.00 0.00 O ATOM 0 H SER A 59 -11.786 -3.177 12.429 1.00 0.00 H new ATOM 0 HA SER A 59 -13.435 -4.595 14.113 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.103 -3.568 15.930 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.082 -4.061 14.594 1.00 0.00 H new ATOM 0 HG SER A 59 -12.112 -1.423 14.579 1.00 0.00 H new ATOM 844 N GLY A 60 -15.268 -3.235 15.053 1.00 0.00 N ATOM 845 CA GLY A 60 -16.393 -2.455 15.535 1.00 0.00 C ATOM 846 C GLY A 60 -17.672 -3.266 15.608 1.00 0.00 C ATOM 847 O GLY A 60 -17.771 -4.360 15.053 1.00 0.00 O ATOM 0 H GLY A 60 -15.356 -4.242 15.187 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.160 -2.060 16.524 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.546 -1.599 14.878 1.00 0.00 H new ATOM 851 N PRO A 61 -18.680 -2.726 16.309 1.00 0.00 N ATOM 852 CA PRO A 61 -19.976 -3.390 16.471 1.00 0.00 C ATOM 853 C PRO A 61 -20.772 -3.432 15.171 1.00 0.00 C ATOM 854 O PRO A 61 -21.955 -3.773 15.167 1.00 0.00 O ATOM 855 CB PRO A 61 -20.692 -2.523 17.509 1.00 0.00 C ATOM 856 CG PRO A 61 -20.066 -1.178 17.376 1.00 0.00 C ATOM 857 CD PRO A 61 -18.632 -1.425 16.997 1.00 0.00 C ATOM 0 HA PRO A 61 -19.865 -4.432 16.770 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -21.764 -2.481 17.318 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.563 -2.922 18.515 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.574 -0.584 16.616 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.132 -0.622 18.311 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.248 -0.640 16.346 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.985 -1.458 17.873 1.00 0.00 H new ATOM 865 N SER A 62 -20.116 -3.083 14.069 1.00 0.00 N ATOM 866 CA SER A 62 -20.764 -3.078 12.763 1.00 0.00 C ATOM 867 C SER A 62 -21.834 -4.163 12.683 1.00 0.00 C ATOM 868 O SER A 62 -21.530 -5.355 12.740 1.00 0.00 O ATOM 869 CB SER A 62 -19.729 -3.283 11.655 1.00 0.00 C ATOM 870 OG SER A 62 -20.349 -3.340 10.382 1.00 0.00 O ATOM 0 H SER A 62 -19.136 -2.800 14.055 1.00 0.00 H new ATOM 0 HA SER A 62 -21.244 -2.109 12.627 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.005 -2.468 11.674 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.176 -4.205 11.835 1.00 0.00 H new ATOM 0 HG SER A 62 -19.666 -3.470 9.691 1.00 0.00 H new ATOM 876 N SER A 63 -23.087 -3.741 12.549 1.00 0.00 N ATOM 877 CA SER A 63 -24.203 -4.676 12.465 1.00 0.00 C ATOM 878 C SER A 63 -23.921 -5.767 11.437 1.00 0.00 C ATOM 879 O SER A 63 -23.356 -5.506 10.376 1.00 0.00 O ATOM 880 CB SER A 63 -25.490 -3.934 12.098 1.00 0.00 C ATOM 881 OG SER A 63 -26.117 -3.399 13.251 1.00 0.00 O ATOM 0 H SER A 63 -23.355 -2.758 12.496 1.00 0.00 H new ATOM 0 HA SER A 63 -24.327 -5.144 13.441 1.00 0.00 H new ATOM 0 HB2 SER A 63 -25.263 -3.130 11.398 1.00 0.00 H new ATOM 0 HB3 SER A 63 -26.174 -4.615 11.591 1.00 0.00 H new ATOM 0 HG SER A 63 -26.936 -2.928 12.989 1.00 0.00 H new ATOM 887 N GLY A 64 -24.321 -6.994 11.760 1.00 0.00 N ATOM 888 CA GLY A 64 -24.103 -8.108 10.856 1.00 0.00 C ATOM 889 C GLY A 64 -25.148 -9.194 11.012 1.00 0.00 C ATOM 890 O GLY A 64 -24.793 -10.321 11.355 1.00 0.00 O ATOM 0 H GLY A 64 -24.792 -7.236 12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -24.111 -7.745 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -23.115 -8.530 11.037 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.444 5.689 7.392 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.850 0.728 2.844 1.00 0.00 ZN