USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 421 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -60:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= -1.98! C(o=-2!,f=-1.8!) USER MOD Single : A 10 GLN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -162:sc=0.000478 USER MOD Single : A 25 HIS : no HD1:sc= -7.6! C(o=-7.6!,f=-4.3!) USER MOD Single : A 27 THR OG1 : rot 172:sc= -1.46 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.23! C(o=-3.2!,f=-5.7!) USER MOD Single : A 33 ASN : amide:sc=-0.00691 X(o=-0.0069,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.013) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.417 -15.992 12.893 1.00 0.00 N ATOM 2 CA GLU A 1 12.102 -15.911 14.309 1.00 0.00 C ATOM 3 C GLU A 1 11.128 -14.760 14.571 1.00 0.00 C ATOM 4 O GLU A 1 9.980 -14.988 14.947 1.00 0.00 O ATOM 5 CB GLU A 1 13.374 -15.754 15.145 1.00 0.00 C ATOM 6 CG GLU A 1 13.961 -17.119 15.510 1.00 0.00 C ATOM 7 CD GLU A 1 15.491 -17.082 15.484 1.00 0.00 C ATOM 8 OE1 GLU A 1 16.047 -17.357 14.399 1.00 0.00 O ATOM 9 OE2 GLU A 1 16.070 -16.779 16.550 1.00 0.00 O ATOM 0 H1 GLU A 1 13.079 -16.777 12.729 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.544 -16.156 12.352 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.854 -15.101 12.583 1.00 0.00 H new ATOM 0 HA GLU A 1 11.622 -16.843 14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.110 -15.174 14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 1 13.150 -15.196 16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.617 -17.413 16.502 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.600 -17.873 14.811 1.00 0.00 H new ATOM 16 N GLU A 2 11.624 -13.549 14.362 1.00 0.00 N ATOM 17 CA GLU A 2 10.812 -12.362 14.570 1.00 0.00 C ATOM 18 C GLU A 2 10.591 -11.630 13.245 1.00 0.00 C ATOM 19 O GLU A 2 11.519 -11.035 12.699 1.00 0.00 O ATOM 20 CB GLU A 2 11.450 -11.437 15.609 1.00 0.00 C ATOM 21 CG GLU A 2 10.593 -10.189 15.831 1.00 0.00 C ATOM 22 CD GLU A 2 10.335 -9.960 17.322 1.00 0.00 C ATOM 23 OE1 GLU A 2 10.102 -10.971 18.020 1.00 0.00 O ATOM 24 OE2 GLU A 2 10.378 -8.779 17.730 1.00 0.00 O ATOM 0 H GLU A 2 12.578 -13.364 14.051 1.00 0.00 H new ATOM 0 HA GLU A 2 9.841 -12.673 14.956 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.572 -11.971 16.551 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.446 -11.144 15.278 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.094 -9.319 15.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.644 -10.297 15.306 1.00 0.00 H new ATOM 31 N TYR A 3 9.358 -11.698 12.766 1.00 0.00 N ATOM 32 CA TYR A 3 9.004 -11.049 11.515 1.00 0.00 C ATOM 33 C TYR A 3 7.892 -10.020 11.727 1.00 0.00 C ATOM 34 O TYR A 3 6.891 -10.308 12.380 1.00 0.00 O ATOM 35 CB TYR A 3 8.489 -12.158 10.596 1.00 0.00 C ATOM 36 CG TYR A 3 7.039 -12.565 10.865 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.743 -13.410 11.915 1.00 0.00 C ATOM 38 CD2 TYR A 3 6.027 -12.088 10.057 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.378 -13.793 12.168 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.662 -12.471 10.310 1.00 0.00 C ATOM 41 CZ TYR A 3 4.405 -13.305 11.353 1.00 0.00 C ATOM 42 OH TYR A 3 3.116 -13.667 11.592 1.00 0.00 O ATOM 0 H TYR A 3 8.591 -12.193 13.222 1.00 0.00 H new ATOM 0 HA TYR A 3 9.864 -10.526 11.097 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.577 -11.828 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.128 -13.034 10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.535 -13.784 12.547 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.259 -11.427 9.235 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.133 -14.453 12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.861 -12.104 9.686 1.00 0.00 H new ATOM 0 HH TYR A 3 2.529 -13.242 10.932 1.00 0.00 H new ATOM 52 N VAL A 4 8.105 -8.841 11.162 1.00 0.00 N ATOM 53 CA VAL A 4 7.133 -7.767 11.280 1.00 0.00 C ATOM 54 C VAL A 4 6.612 -7.401 9.889 1.00 0.00 C ATOM 55 O VAL A 4 7.366 -6.914 9.048 1.00 0.00 O ATOM 56 CB VAL A 4 7.753 -6.579 12.018 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.048 -6.933 13.477 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.016 -6.090 11.306 1.00 0.00 C ATOM 0 H VAL A 4 8.937 -8.605 10.621 1.00 0.00 H new ATOM 0 HA VAL A 4 6.277 -8.090 11.873 1.00 0.00 H new ATOM 0 HB VAL A 4 7.028 -5.765 12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.488 -6.071 13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.121 -7.211 13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.745 -7.770 13.515 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.437 -5.245 11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.747 -6.897 11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.765 -5.779 10.292 1.00 0.00 H new ATOM 68 N GLY A 5 5.326 -7.650 9.690 1.00 0.00 N ATOM 69 CA GLY A 5 4.695 -7.352 8.415 1.00 0.00 C ATOM 70 C GLY A 5 3.238 -6.929 8.610 1.00 0.00 C ATOM 71 O GLY A 5 2.455 -6.931 7.661 1.00 0.00 O ATOM 0 H GLY A 5 4.704 -8.055 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.244 -6.557 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.739 -8.229 7.769 1.00 0.00 H new ATOM 75 N LEU A 6 2.918 -6.576 9.846 1.00 0.00 N ATOM 76 CA LEU A 6 1.568 -6.152 10.178 1.00 0.00 C ATOM 77 C LEU A 6 1.497 -4.624 10.146 1.00 0.00 C ATOM 78 O LEU A 6 1.772 -3.964 11.147 1.00 0.00 O ATOM 79 CB LEU A 6 1.128 -6.760 11.511 1.00 0.00 C ATOM 80 CG LEU A 6 1.882 -6.276 12.751 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.934 -5.595 13.740 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.661 -7.422 13.400 1.00 0.00 C ATOM 0 H LEU A 6 3.570 -6.575 10.630 1.00 0.00 H new ATOM 0 HA LEU A 6 0.859 -6.521 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.067 -6.551 11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.233 -7.843 11.446 1.00 0.00 H new ATOM 0 HG LEU A 6 2.610 -5.528 12.437 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.496 -5.261 14.612 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.464 -4.736 13.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.166 -6.302 14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.188 -7.052 14.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.969 -8.210 13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.382 -7.822 12.687 1.00 0.00 H new ATOM 94 N SER A 7 1.126 -4.105 8.984 1.00 0.00 N ATOM 95 CA SER A 7 1.015 -2.667 8.808 1.00 0.00 C ATOM 96 C SER A 7 2.367 -2.001 9.071 1.00 0.00 C ATOM 97 O SER A 7 3.163 -2.498 9.867 1.00 0.00 O ATOM 98 CB SER A 7 -0.054 -2.080 9.732 1.00 0.00 C ATOM 99 OG SER A 7 0.458 -1.804 11.034 1.00 0.00 O ATOM 0 H SER A 7 0.899 -4.655 8.156 1.00 0.00 H new ATOM 0 HA SER A 7 0.715 -2.471 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.447 -1.162 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.888 -2.778 9.811 1.00 0.00 H new ATOM 0 HG SER A 7 0.787 -2.634 11.439 1.00 0.00 H new ATOM 105 N ALA A 8 2.586 -0.888 8.386 1.00 0.00 N ATOM 106 CA ALA A 8 3.829 -0.150 8.536 1.00 0.00 C ATOM 107 C ALA A 8 4.982 -0.982 7.973 1.00 0.00 C ATOM 108 O ALA A 8 5.510 -0.676 6.905 1.00 0.00 O ATOM 109 CB ALA A 8 4.034 0.211 10.008 1.00 0.00 C ATOM 0 H ALA A 8 1.924 -0.480 7.726 1.00 0.00 H new ATOM 0 HA ALA A 8 3.792 0.783 7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.966 0.764 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.203 0.827 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.079 -0.701 10.603 1.00 0.00 H new ATOM 115 N ASN A 9 5.339 -2.019 8.716 1.00 0.00 N ATOM 116 CA ASN A 9 6.421 -2.898 8.305 1.00 0.00 C ATOM 117 C ASN A 9 6.208 -3.314 6.848 1.00 0.00 C ATOM 118 O ASN A 9 7.165 -3.635 6.144 1.00 0.00 O ATOM 119 CB ASN A 9 6.454 -4.168 9.158 1.00 0.00 C ATOM 120 CG ASN A 9 6.397 -3.828 10.649 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.305 -3.239 11.213 1.00 0.00 O ATOM 122 ND2 ASN A 9 5.283 -4.230 11.253 1.00 0.00 N ATOM 0 H ASN A 9 4.898 -2.271 9.601 1.00 0.00 H new ATOM 0 HA ASN A 9 7.359 -2.357 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.613 -4.809 8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.363 -4.731 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.149 -4.050 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.562 -4.718 10.721 1.00 0.00 H new ATOM 129 N GLN A 10 4.948 -3.293 6.438 1.00 0.00 N ATOM 130 CA GLN A 10 4.598 -3.664 5.077 1.00 0.00 C ATOM 131 C GLN A 10 4.631 -2.434 4.167 1.00 0.00 C ATOM 132 O GLN A 10 5.049 -2.522 3.014 1.00 0.00 O ATOM 133 CB GLN A 10 3.229 -4.345 5.030 1.00 0.00 C ATOM 134 CG GLN A 10 2.252 -3.681 6.002 1.00 0.00 C ATOM 135 CD GLN A 10 0.804 -4.015 5.638 1.00 0.00 C ATOM 136 OE1 GLN A 10 -0.013 -3.149 5.376 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.534 -5.318 5.636 1.00 0.00 N ATOM 0 H GLN A 10 4.157 -3.025 7.024 1.00 0.00 H new ATOM 0 HA GLN A 10 5.336 -4.380 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.829 -4.296 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.335 -5.401 5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.461 -4.015 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.395 -2.601 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.266 -5.991 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.405 -5.644 5.405 1.00 0.00 H new ATOM 146 N CYS A 11 4.183 -1.316 4.720 1.00 0.00 N ATOM 147 CA CYS A 11 4.155 -0.071 3.972 1.00 0.00 C ATOM 148 C CYS A 11 5.226 0.859 4.548 1.00 0.00 C ATOM 149 O CYS A 11 4.984 2.050 4.734 1.00 0.00 O ATOM 150 CB CYS A 11 2.768 0.573 3.997 1.00 0.00 C ATOM 151 SG CYS A 11 1.400 -0.567 4.421 1.00 0.00 S ATOM 0 H CYS A 11 3.837 -1.247 5.677 1.00 0.00 H new ATOM 0 HA CYS A 11 4.372 -0.269 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.776 1.392 4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.568 1.010 3.019 1.00 0.00 H new ATOM 156 N ALA A 12 6.387 0.278 4.814 1.00 0.00 N ATOM 157 CA ALA A 12 7.495 1.040 5.364 1.00 0.00 C ATOM 158 C ALA A 12 8.482 1.377 4.245 1.00 0.00 C ATOM 159 O ALA A 12 9.695 1.316 4.442 1.00 0.00 O ATOM 160 CB ALA A 12 8.148 0.245 6.497 1.00 0.00 C ATOM 0 H ALA A 12 6.584 -0.711 4.659 1.00 0.00 H new ATOM 0 HA ALA A 12 7.142 1.981 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.979 0.816 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.413 0.056 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.517 -0.705 6.109 1.00 0.00 H new ATOM 166 N VAL A 13 7.926 1.727 3.094 1.00 0.00 N ATOM 167 CA VAL A 13 8.742 2.074 1.943 1.00 0.00 C ATOM 168 C VAL A 13 8.952 3.589 1.911 1.00 0.00 C ATOM 169 O VAL A 13 8.118 4.346 2.407 1.00 0.00 O ATOM 170 CB VAL A 13 8.100 1.532 0.664 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.147 0.875 -0.238 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.967 0.557 0.990 1.00 0.00 C ATOM 0 H VAL A 13 6.920 1.778 2.934 1.00 0.00 H new ATOM 0 HA VAL A 13 9.726 1.611 2.018 1.00 0.00 H new ATOM 0 HB VAL A 13 7.671 2.374 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.665 0.498 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.904 1.610 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.618 0.049 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.528 0.187 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.362 -0.281 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.203 1.070 1.574 1.00 0.00 H new ATOM 182 N PRO A 14 10.099 3.998 1.307 1.00 0.00 N ATOM 183 CA PRO A 14 10.429 5.409 1.204 1.00 0.00 C ATOM 184 C PRO A 14 9.580 6.094 0.131 1.00 0.00 C ATOM 185 O PRO A 14 8.857 7.046 0.420 1.00 0.00 O ATOM 186 CB PRO A 14 11.917 5.444 0.895 1.00 0.00 C ATOM 187 CG PRO A 14 12.268 4.058 0.379 1.00 0.00 C ATOM 188 CD PRO A 14 11.110 3.131 0.709 1.00 0.00 C ATOM 0 HA PRO A 14 10.213 5.959 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.143 6.207 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.495 5.687 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.442 4.084 -0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.188 3.700 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.730 2.638 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.416 2.345 1.400 1.00 0.00 H new ATOM 196 N ALA A 15 9.696 5.582 -1.086 1.00 0.00 N ATOM 197 CA ALA A 15 8.948 6.132 -2.204 1.00 0.00 C ATOM 198 C ALA A 15 9.606 5.699 -3.515 1.00 0.00 C ATOM 199 O ALA A 15 8.951 5.644 -4.554 1.00 0.00 O ATOM 200 CB ALA A 15 8.869 7.654 -2.066 1.00 0.00 C ATOM 0 H ALA A 15 10.297 4.792 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 15 7.927 5.751 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.308 8.067 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.367 7.909 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.876 8.072 -2.062 1.00 0.00 H new ATOM 206 N LYS A 16 10.894 5.402 -3.423 1.00 0.00 N ATOM 207 CA LYS A 16 11.649 4.975 -4.590 1.00 0.00 C ATOM 208 C LYS A 16 11.624 3.448 -4.677 1.00 0.00 C ATOM 209 O LYS A 16 12.272 2.861 -5.543 1.00 0.00 O ATOM 210 CB LYS A 16 13.059 5.567 -4.562 1.00 0.00 C ATOM 211 CG LYS A 16 13.866 5.006 -3.389 1.00 0.00 C ATOM 212 CD LYS A 16 14.716 3.812 -3.829 1.00 0.00 C ATOM 213 CE LYS A 16 15.448 3.192 -2.637 1.00 0.00 C ATOM 214 NZ LYS A 16 16.703 2.544 -3.080 1.00 0.00 N ATOM 0 H LYS A 16 11.434 5.448 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 16 11.188 5.354 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.570 5.344 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.000 6.652 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.510 5.785 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.190 4.701 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.080 3.062 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.440 4.133 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.670 3.962 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.806 2.459 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.188 2.128 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.483 1.796 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.321 3.252 -3.525 1.00 0.00 H new ATOM 228 N ASP A 17 10.871 2.847 -3.767 1.00 0.00 N ATOM 229 CA ASP A 17 10.754 1.399 -3.730 1.00 0.00 C ATOM 230 C ASP A 17 9.283 1.007 -3.880 1.00 0.00 C ATOM 231 O ASP A 17 8.921 -0.150 -3.673 1.00 0.00 O ATOM 232 CB ASP A 17 11.260 0.840 -2.399 1.00 0.00 C ATOM 233 CG ASP A 17 12.583 0.075 -2.480 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.885 -0.420 -3.587 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.262 0.004 -1.433 1.00 0.00 O ATOM 0 H ASP A 17 10.336 3.337 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 17 11.354 0.991 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.377 1.665 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.499 0.177 -1.988 1.00 0.00 H new ATOM 240 N ARG A 18 8.474 1.993 -4.238 1.00 0.00 N ATOM 241 CA ARG A 18 7.050 1.766 -4.417 1.00 0.00 C ATOM 242 C ARG A 18 6.790 1.051 -5.745 1.00 0.00 C ATOM 243 O ARG A 18 7.062 1.599 -6.812 1.00 0.00 O ATOM 244 CB ARG A 18 6.274 3.084 -4.394 1.00 0.00 C ATOM 245 CG ARG A 18 6.789 4.004 -3.286 1.00 0.00 C ATOM 246 CD ARG A 18 6.582 3.373 -1.908 1.00 0.00 C ATOM 247 NE ARG A 18 6.794 4.385 -0.850 1.00 0.00 N ATOM 248 CZ ARG A 18 6.024 5.469 -0.682 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.987 5.687 -1.501 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.292 6.334 0.306 1.00 0.00 N ATOM 0 H ARG A 18 8.778 2.952 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 18 6.707 1.143 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.368 3.583 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.214 2.883 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.849 4.208 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.270 4.961 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.574 2.964 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.274 2.542 -1.772 1.00 0.00 H new ATOM 0 HE ARG A 18 7.575 4.249 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.783 5.028 -2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.401 6.512 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.082 6.167 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.706 7.159 0.434 1.00 0.00 H new ATOM 264 N VAL A 19 6.266 -0.161 -5.636 1.00 0.00 N ATOM 265 CA VAL A 19 5.966 -0.955 -6.815 1.00 0.00 C ATOM 266 C VAL A 19 4.621 -0.513 -7.394 1.00 0.00 C ATOM 267 O VAL A 19 4.256 -0.911 -8.499 1.00 0.00 O ATOM 268 CB VAL A 19 6.006 -2.444 -6.466 1.00 0.00 C ATOM 269 CG1 VAL A 19 6.257 -3.293 -7.714 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.055 -2.728 -5.389 1.00 0.00 C ATOM 0 H VAL A 19 6.042 -0.612 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 19 6.720 -0.794 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 19 5.031 -2.720 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.281 -4.347 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.457 -3.125 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.212 -3.013 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.062 -3.794 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.038 -2.428 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.813 -2.165 -4.488 1.00 0.00 H new ATOM 280 N ASP A 20 3.921 0.305 -6.622 1.00 0.00 N ATOM 281 CA ASP A 20 2.624 0.806 -7.045 1.00 0.00 C ATOM 282 C ASP A 20 1.682 -0.374 -7.293 1.00 0.00 C ATOM 283 O ASP A 20 1.930 -1.196 -8.173 1.00 0.00 O ATOM 284 CB ASP A 20 2.738 1.602 -8.347 1.00 0.00 C ATOM 285 CG ASP A 20 1.414 1.852 -9.070 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.398 2.006 -8.358 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.447 1.885 -10.320 1.00 0.00 O ATOM 0 H ASP A 20 4.227 0.633 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 20 2.241 1.456 -6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.202 2.564 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.409 1.071 -9.022 1.00 0.00 H new ATOM 292 N CYS A 21 0.621 -0.419 -6.501 1.00 0.00 N ATOM 293 CA CYS A 21 -0.359 -1.485 -6.624 1.00 0.00 C ATOM 294 C CYS A 21 -1.349 -1.103 -7.726 1.00 0.00 C ATOM 295 O CYS A 21 -1.985 -1.971 -8.322 1.00 0.00 O ATOM 296 CB CYS A 21 -1.065 -1.761 -5.294 1.00 0.00 C ATOM 297 SG CYS A 21 -1.410 -3.526 -4.960 1.00 0.00 S ATOM 0 H CYS A 21 0.418 0.265 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 21 0.143 -2.414 -6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.452 -1.366 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.006 -1.212 -5.278 1.00 0.00 H new ATOM 302 N GLY A 22 -1.447 0.196 -7.965 1.00 0.00 N ATOM 303 CA GLY A 22 -2.348 0.704 -8.986 1.00 0.00 C ATOM 304 C GLY A 22 -3.807 0.561 -8.549 1.00 0.00 C ATOM 305 O GLY A 22 -4.431 -0.473 -8.784 1.00 0.00 O ATOM 0 H GLY A 22 -0.917 0.913 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.125 1.752 -9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.189 0.163 -9.919 1.00 0.00 H new ATOM 309 N TYR A 23 -4.309 1.614 -7.921 1.00 0.00 N ATOM 310 CA TYR A 23 -5.684 1.618 -7.449 1.00 0.00 C ATOM 311 C TYR A 23 -6.345 2.975 -7.700 1.00 0.00 C ATOM 312 O TYR A 23 -5.680 4.010 -7.664 1.00 0.00 O ATOM 313 CB TYR A 23 -5.613 1.370 -5.942 1.00 0.00 C ATOM 314 CG TYR A 23 -5.689 -0.108 -5.550 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.861 -0.812 -5.738 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.586 -0.736 -5.009 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.933 -2.202 -5.370 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.657 -2.126 -4.641 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.827 -2.790 -4.840 1.00 0.00 C ATOM 320 OH TYR A 23 -5.895 -4.104 -4.492 1.00 0.00 O ATOM 0 H TYR A 23 -3.789 2.470 -7.728 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.271 0.862 -7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.683 1.790 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.429 1.906 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.724 -0.320 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.669 -0.185 -4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.844 -2.765 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.801 -2.630 -4.217 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.163 -4.318 -3.877 1.00 0.00 H new ATOM 330 N PRO A 24 -7.680 2.926 -7.955 1.00 0.00 N ATOM 331 CA PRO A 24 -8.438 4.138 -8.212 1.00 0.00 C ATOM 332 C PRO A 24 -8.679 4.918 -6.918 1.00 0.00 C ATOM 333 O PRO A 24 -8.085 5.974 -6.705 1.00 0.00 O ATOM 334 CB PRO A 24 -9.724 3.666 -8.869 1.00 0.00 C ATOM 335 CG PRO A 24 -9.845 2.188 -8.536 1.00 0.00 C ATOM 336 CD PRO A 24 -8.499 1.719 -8.006 1.00 0.00 C ATOM 0 HA PRO A 24 -7.908 4.836 -8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.582 4.223 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.692 3.822 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.626 2.027 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.126 1.619 -9.422 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.598 1.266 -7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.056 0.967 -8.659 1.00 0.00 H new ATOM 344 N HIS A 25 -9.552 4.368 -6.087 1.00 0.00 N ATOM 345 CA HIS A 25 -9.879 4.999 -4.819 1.00 0.00 C ATOM 346 C HIS A 25 -8.951 4.467 -3.726 1.00 0.00 C ATOM 347 O HIS A 25 -9.301 3.529 -3.011 1.00 0.00 O ATOM 348 CB HIS A 25 -11.360 4.808 -4.484 1.00 0.00 C ATOM 349 CG HIS A 25 -11.705 3.422 -3.994 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.801 3.163 -3.190 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.089 2.224 -4.204 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.833 1.863 -2.933 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.771 1.283 -3.562 1.00 0.00 N ATOM 0 H HIS A 25 -10.043 3.492 -6.267 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.718 6.075 -4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.646 5.533 -3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.954 5.027 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.197 2.067 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.571 1.353 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.539 0.290 -3.542 1.00 0.00 H new ATOM 362 N VAL A 26 -7.784 5.088 -3.632 1.00 0.00 N ATOM 363 CA VAL A 26 -6.802 4.688 -2.638 1.00 0.00 C ATOM 364 C VAL A 26 -6.930 5.591 -1.409 1.00 0.00 C ATOM 365 O VAL A 26 -7.051 6.808 -1.539 1.00 0.00 O ATOM 366 CB VAL A 26 -5.400 4.707 -3.250 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.265 3.646 -4.344 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.056 6.097 -3.789 1.00 0.00 C ATOM 0 H VAL A 26 -7.497 5.865 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.985 3.665 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.687 4.468 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.259 3.681 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.447 2.659 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.993 3.841 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.054 6.083 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.776 6.378 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.092 6.822 -2.976 1.00 0.00 H new ATOM 378 N THR A 27 -6.899 4.959 -0.245 1.00 0.00 N ATOM 379 CA THR A 27 -7.010 5.690 1.006 1.00 0.00 C ATOM 380 C THR A 27 -6.224 4.980 2.110 1.00 0.00 C ATOM 381 O THR A 27 -5.773 3.850 1.928 1.00 0.00 O ATOM 382 CB THR A 27 -8.497 5.853 1.328 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.857 4.620 1.945 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.366 5.908 0.069 1.00 0.00 C ATOM 0 H THR A 27 -6.799 3.949 -0.142 1.00 0.00 H new ATOM 0 HA THR A 27 -6.569 6.684 0.924 1.00 0.00 H new ATOM 0 HB THR A 27 -8.644 6.762 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.767 4.686 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.412 6.024 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.061 6.754 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.245 4.985 -0.498 1.00 0.00 H new ATOM 392 N PRO A 28 -6.081 5.690 3.261 1.00 0.00 N ATOM 393 CA PRO A 28 -5.358 5.139 4.395 1.00 0.00 C ATOM 394 C PRO A 28 -6.191 4.076 5.114 1.00 0.00 C ATOM 395 O PRO A 28 -6.176 3.996 6.341 1.00 0.00 O ATOM 396 CB PRO A 28 -5.035 6.336 5.274 1.00 0.00 C ATOM 397 CG PRO A 28 -5.986 7.440 4.841 1.00 0.00 C ATOM 398 CD PRO A 28 -6.602 7.030 3.513 1.00 0.00 C ATOM 0 HA PRO A 28 -4.446 4.620 4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.171 6.094 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.997 6.644 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.762 7.591 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.453 8.385 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.691 7.028 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.322 7.720 2.717 1.00 0.00 H new ATOM 406 N LYS A 29 -6.898 3.287 4.318 1.00 0.00 N ATOM 407 CA LYS A 29 -7.736 2.232 4.863 1.00 0.00 C ATOM 408 C LYS A 29 -8.369 1.445 3.714 1.00 0.00 C ATOM 409 O LYS A 29 -8.458 0.219 3.772 1.00 0.00 O ATOM 410 CB LYS A 29 -8.755 2.812 5.846 1.00 0.00 C ATOM 411 CG LYS A 29 -9.154 1.775 6.898 1.00 0.00 C ATOM 412 CD LYS A 29 -10.612 1.346 6.720 1.00 0.00 C ATOM 413 CE LYS A 29 -11.480 1.864 7.869 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.391 0.802 8.350 1.00 0.00 N ATOM 0 H LYS A 29 -6.908 3.357 3.300 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.136 1.528 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.334 3.689 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.640 3.144 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.503 0.904 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.013 2.191 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.993 1.725 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.672 0.259 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.845 2.205 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.060 2.725 7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.973 1.170 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.009 0.496 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.833 -0.008 8.688 1.00 0.00 H new ATOM 428 N GLU A 30 -8.792 2.181 2.697 1.00 0.00 N ATOM 429 CA GLU A 30 -9.414 1.567 1.536 1.00 0.00 C ATOM 430 C GLU A 30 -8.351 0.925 0.642 1.00 0.00 C ATOM 431 O GLU A 30 -8.556 -0.166 0.113 1.00 0.00 O ATOM 432 CB GLU A 30 -10.245 2.587 0.755 1.00 0.00 C ATOM 433 CG GLU A 30 -11.037 1.907 -0.364 1.00 0.00 C ATOM 434 CD GLU A 30 -12.538 1.937 -0.069 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.105 3.050 -0.127 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.084 0.848 0.207 1.00 0.00 O ATOM 0 H GLU A 30 -8.716 3.197 2.653 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.091 0.785 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.930 3.098 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.589 3.348 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.839 2.408 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.705 0.875 -0.474 1.00 0.00 H new ATOM 443 N CYS A 31 -7.238 1.630 0.500 1.00 0.00 N ATOM 444 CA CYS A 31 -6.143 1.143 -0.321 1.00 0.00 C ATOM 445 C CYS A 31 -5.511 -0.058 0.385 1.00 0.00 C ATOM 446 O CYS A 31 -5.069 -1.003 -0.267 1.00 0.00 O ATOM 447 CB CYS A 31 -5.118 2.242 -0.606 1.00 0.00 C ATOM 448 SG CYS A 31 -3.425 1.641 -0.957 1.00 0.00 S ATOM 0 H CYS A 31 -7.071 2.535 0.940 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.524 0.832 -1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.463 2.830 -1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.079 2.914 0.251 1.00 0.00 H new ATOM 453 N ASN A 32 -5.488 0.018 1.707 1.00 0.00 N ATOM 454 CA ASN A 32 -4.917 -1.052 2.509 1.00 0.00 C ATOM 455 C ASN A 32 -5.984 -2.120 2.760 1.00 0.00 C ATOM 456 O ASN A 32 -5.704 -3.150 3.372 1.00 0.00 O ATOM 457 CB ASN A 32 -4.443 -0.530 3.866 1.00 0.00 C ATOM 458 CG ASN A 32 -5.416 -0.928 4.978 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.602 -0.649 4.928 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.849 -1.593 5.980 1.00 0.00 N ATOM 0 H ASN A 32 -5.855 0.804 2.244 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.068 -1.465 1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.452 -0.927 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.351 0.556 3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.414 -1.903 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.849 -1.793 5.958 1.00 0.00 H new ATOM 467 N ASN A 33 -7.184 -1.838 2.274 1.00 0.00 N ATOM 468 CA ASN A 33 -8.293 -2.762 2.438 1.00 0.00 C ATOM 469 C ASN A 33 -8.492 -3.549 1.141 1.00 0.00 C ATOM 470 O ASN A 33 -8.760 -4.750 1.174 1.00 0.00 O ATOM 471 CB ASN A 33 -9.593 -2.013 2.740 1.00 0.00 C ATOM 472 CG ASN A 33 -10.804 -2.938 2.599 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.068 -3.789 3.433 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.523 -2.726 1.501 1.00 0.00 N ATOM 0 H ASN A 33 -7.412 -0.983 1.767 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.058 -3.427 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.557 -1.607 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.696 -1.167 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.351 -3.292 1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.247 -1.997 0.843 1.00 0.00 H new ATOM 481 N ARG A 34 -8.352 -2.842 0.030 1.00 0.00 N ATOM 482 CA ARG A 34 -8.513 -3.460 -1.276 1.00 0.00 C ATOM 483 C ARG A 34 -7.546 -4.636 -1.429 1.00 0.00 C ATOM 484 O ARG A 34 -7.811 -5.568 -2.187 1.00 0.00 O ATOM 485 CB ARG A 34 -8.259 -2.451 -2.398 1.00 0.00 C ATOM 486 CG ARG A 34 -9.216 -2.681 -3.569 1.00 0.00 C ATOM 487 CD ARG A 34 -10.667 -2.741 -3.087 1.00 0.00 C ATOM 488 NE ARG A 34 -11.168 -4.132 -3.161 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.226 -4.587 -2.475 1.00 0.00 C ATOM 490 NH1 ARG A 34 -12.900 -3.764 -1.661 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.609 -5.864 -2.604 1.00 0.00 N ATOM 0 H ARG A 34 -8.129 -1.847 0.006 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.540 -3.817 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.383 -1.438 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.229 -2.537 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.104 -1.878 -4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.959 -3.611 -4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.734 -2.376 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.290 -2.088 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.678 -4.785 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.608 -2.792 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.705 -4.110 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.096 -6.490 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.414 -6.210 -2.082 1.00 0.00 H new ATOM 505 N GLY A 35 -6.446 -4.556 -0.695 1.00 0.00 N ATOM 506 CA GLY A 35 -5.438 -5.602 -0.740 1.00 0.00 C ATOM 507 C GLY A 35 -4.087 -5.043 -1.188 1.00 0.00 C ATOM 508 O GLY A 35 -3.651 -5.287 -2.312 1.00 0.00 O ATOM 0 H GLY A 35 -6.230 -3.783 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.338 -6.058 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.755 -6.388 -1.425 1.00 0.00 H new ATOM 512 N CYS A 36 -3.460 -4.303 -0.285 1.00 0.00 N ATOM 513 CA CYS A 36 -2.166 -3.708 -0.572 1.00 0.00 C ATOM 514 C CYS A 36 -1.829 -2.725 0.551 1.00 0.00 C ATOM 515 O CYS A 36 -2.363 -2.831 1.654 1.00 0.00 O ATOM 516 CB CYS A 36 -2.147 -3.032 -1.945 1.00 0.00 C ATOM 517 SG CYS A 36 -0.833 -3.624 -3.073 1.00 0.00 S ATOM 0 H CYS A 36 -3.825 -4.102 0.646 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.405 -4.488 -0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.114 -3.186 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.029 -1.958 -1.804 1.00 0.00 H new ATOM 522 N CYS A 37 -0.944 -1.792 0.232 1.00 0.00 N ATOM 523 CA CYS A 37 -0.529 -0.792 1.201 1.00 0.00 C ATOM 524 C CYS A 37 -0.864 0.591 0.638 1.00 0.00 C ATOM 525 O CYS A 37 -0.897 0.779 -0.577 1.00 0.00 O ATOM 526 CB CYS A 37 0.955 -0.922 1.548 1.00 0.00 C ATOM 527 SG CYS A 37 1.320 -2.035 2.955 1.00 0.00 S ATOM 0 H CYS A 37 -0.503 -1.708 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.068 -0.943 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.489 -1.283 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.349 0.069 1.775 1.00 0.00 H new ATOM 532 N PHE A 38 -1.105 1.523 1.548 1.00 0.00 N ATOM 533 CA PHE A 38 -1.437 2.882 1.158 1.00 0.00 C ATOM 534 C PHE A 38 -0.367 3.866 1.635 1.00 0.00 C ATOM 535 O PHE A 38 0.555 3.486 2.355 1.00 0.00 O ATOM 536 CB PHE A 38 -2.767 3.229 1.829 1.00 0.00 C ATOM 537 CG PHE A 38 -3.185 4.691 1.664 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.804 5.097 0.523 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.938 5.586 2.658 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.192 6.454 0.370 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.326 6.943 2.505 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.945 7.349 1.364 1.00 0.00 C ATOM 0 H PHE A 38 -1.077 1.363 2.555 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.499 2.952 0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.548 2.590 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.696 3.000 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.000 4.387 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.446 5.264 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.684 6.776 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.130 7.653 3.295 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.240 8.381 1.247 1.00 0.00 H new ATOM 552 N ASP A 39 -0.525 5.113 1.214 1.00 0.00 N ATOM 553 CA ASP A 39 0.416 6.154 1.590 1.00 0.00 C ATOM 554 C ASP A 39 0.006 7.470 0.925 1.00 0.00 C ATOM 555 O ASP A 39 -0.445 7.477 -0.220 1.00 0.00 O ATOM 556 CB ASP A 39 1.833 5.811 1.125 1.00 0.00 C ATOM 557 CG ASP A 39 2.894 6.861 1.455 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.285 6.920 2.641 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.291 7.582 0.514 1.00 0.00 O ATOM 0 H ASP A 39 -1.290 5.425 0.616 1.00 0.00 H new ATOM 0 HA ASP A 39 0.405 6.242 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.128 4.864 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.818 5.658 0.046 1.00 0.00 H new ATOM 564 N SER A 40 0.179 8.552 1.670 1.00 0.00 N ATOM 565 CA SER A 40 -0.167 9.870 1.167 1.00 0.00 C ATOM 566 C SER A 40 0.939 10.869 1.511 1.00 0.00 C ATOM 567 O SER A 40 0.732 12.079 1.438 1.00 0.00 O ATOM 568 CB SER A 40 -1.506 10.343 1.736 1.00 0.00 C ATOM 569 OG SER A 40 -1.457 10.503 3.152 1.00 0.00 O ATOM 0 H SER A 40 0.554 8.542 2.618 1.00 0.00 H new ATOM 0 HA SER A 40 -0.266 9.807 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.782 11.290 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.284 9.624 1.479 1.00 0.00 H new ATOM 0 HG SER A 40 -2.330 10.808 3.477 1.00 0.00 H new ATOM 575 N ARG A 41 2.089 10.325 1.881 1.00 0.00 N ATOM 576 CA ARG A 41 3.229 11.154 2.237 1.00 0.00 C ATOM 577 C ARG A 41 3.620 12.052 1.062 1.00 0.00 C ATOM 578 O ARG A 41 3.968 13.216 1.256 1.00 0.00 O ATOM 579 CB ARG A 41 4.431 10.295 2.636 1.00 0.00 C ATOM 580 CG ARG A 41 5.191 10.925 3.804 1.00 0.00 C ATOM 581 CD ARG A 41 6.610 10.362 3.903 1.00 0.00 C ATOM 582 NE ARG A 41 7.512 11.364 4.512 1.00 0.00 N ATOM 583 CZ ARG A 41 8.848 11.327 4.420 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.446 10.336 3.744 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.587 12.280 5.005 1.00 0.00 N ATOM 0 H ARG A 41 2.256 9.321 1.942 1.00 0.00 H new ATOM 0 HA ARG A 41 2.938 11.770 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.093 9.297 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.099 10.179 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.233 12.006 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.656 10.737 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.608 9.451 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.972 10.090 2.911 1.00 0.00 H new ATOM 0 HE ARG A 41 7.090 12.131 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.884 9.610 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.463 10.308 3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.132 13.034 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.604 12.252 4.935 1.00 0.00 H new ATOM 599 N ILE A 42 3.548 11.478 -0.130 1.00 0.00 N ATOM 600 CA ILE A 42 3.890 12.213 -1.336 1.00 0.00 C ATOM 601 C ILE A 42 3.110 11.635 -2.519 1.00 0.00 C ATOM 602 O ILE A 42 3.079 10.421 -2.712 1.00 0.00 O ATOM 603 CB ILE A 42 5.406 12.224 -1.545 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.065 11.036 -0.841 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.011 13.559 -1.105 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.530 9.710 -1.386 1.00 0.00 C ATOM 0 H ILE A 42 3.258 10.513 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 42 3.597 13.259 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 42 5.604 12.117 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.145 11.081 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.878 11.095 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.089 13.540 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.572 14.368 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.803 13.722 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.015 8.882 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.453 9.658 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.740 9.644 -2.453 1.00 0.00 H new ATOM 618 N PRO A 43 2.483 12.556 -3.299 1.00 0.00 N ATOM 619 CA PRO A 43 1.706 12.151 -4.457 1.00 0.00 C ATOM 620 C PRO A 43 2.618 11.741 -5.614 1.00 0.00 C ATOM 621 O PRO A 43 2.266 10.871 -6.410 1.00 0.00 O ATOM 622 CB PRO A 43 0.833 13.352 -4.785 1.00 0.00 C ATOM 623 CG PRO A 43 1.483 14.540 -4.095 1.00 0.00 C ATOM 624 CD PRO A 43 2.499 14.003 -3.100 1.00 0.00 C ATOM 0 HA PRO A 43 1.093 11.270 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.774 13.510 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.186 13.203 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.969 15.187 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.732 15.143 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.490 14.417 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.229 14.265 -2.077 1.00 0.00 H new ATOM 632 N GLY A 44 3.774 12.387 -5.672 1.00 0.00 N ATOM 633 CA GLY A 44 4.740 12.100 -6.719 1.00 0.00 C ATOM 634 C GLY A 44 4.921 10.591 -6.900 1.00 0.00 C ATOM 635 O GLY A 44 5.232 10.127 -7.996 1.00 0.00 O ATOM 0 H GLY A 44 4.063 13.108 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.408 12.545 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.698 12.557 -6.470 1.00 0.00 H new ATOM 639 N VAL A 45 4.717 9.868 -5.809 1.00 0.00 N ATOM 640 CA VAL A 45 4.853 8.422 -5.834 1.00 0.00 C ATOM 641 C VAL A 45 3.464 7.782 -5.798 1.00 0.00 C ATOM 642 O VAL A 45 2.464 8.471 -5.604 1.00 0.00 O ATOM 643 CB VAL A 45 5.753 7.961 -4.685 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.737 9.062 -4.284 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.921 7.505 -3.486 1.00 0.00 C ATOM 0 H VAL A 45 4.459 10.257 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 45 5.335 8.100 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 45 6.332 7.106 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.365 8.709 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.364 9.318 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.184 9.945 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.585 7.183 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.304 8.332 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.280 6.674 -3.782 1.00 0.00 H new ATOM 655 N PRO A 46 3.445 6.436 -5.994 1.00 0.00 N ATOM 656 CA PRO A 46 2.195 5.696 -5.986 1.00 0.00 C ATOM 657 C PRO A 46 1.665 5.531 -4.561 1.00 0.00 C ATOM 658 O PRO A 46 1.990 4.558 -3.882 1.00 0.00 O ATOM 659 CB PRO A 46 2.518 4.371 -6.657 1.00 0.00 C ATOM 660 CG PRO A 46 4.031 4.231 -6.597 1.00 0.00 C ATOM 661 CD PRO A 46 4.610 5.587 -6.227 1.00 0.00 C ATOM 0 HA PRO A 46 1.397 6.213 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.029 3.544 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.165 4.359 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.316 3.480 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.422 3.898 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.236 5.521 -5.337 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.235 5.983 -7.028 1.00 0.00 H new ATOM 669 N TRP A 47 0.857 6.496 -4.148 1.00 0.00 N ATOM 670 CA TRP A 47 0.278 6.470 -2.816 1.00 0.00 C ATOM 671 C TRP A 47 0.072 5.007 -2.418 1.00 0.00 C ATOM 672 O TRP A 47 0.564 4.567 -1.380 1.00 0.00 O ATOM 673 CB TRP A 47 -1.012 7.291 -2.762 1.00 0.00 C ATOM 674 CG TRP A 47 -0.794 8.772 -2.441 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.289 9.519 -2.691 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.733 9.659 -1.797 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.119 10.818 -2.257 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.150 10.905 -1.696 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.031 9.415 -1.315 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.792 12.007 -1.117 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.659 10.526 -0.739 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.086 11.788 -0.630 1.00 0.00 C ATOM 0 H TRP A 47 0.589 7.302 -4.713 1.00 0.00 H new ATOM 0 HA TRP A 47 0.950 6.936 -2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.523 7.209 -3.721 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.674 6.860 -2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.183 9.151 -3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.799 11.575 -2.334 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.506 8.447 -1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.315 12.973 -1.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.659 10.393 -0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.637 12.596 -0.172 1.00 0.00 H new ATOM 693 N CYS A 48 -0.655 4.294 -3.265 1.00 0.00 N ATOM 694 CA CYS A 48 -0.932 2.889 -3.016 1.00 0.00 C ATOM 695 C CYS A 48 0.147 2.056 -3.711 1.00 0.00 C ATOM 696 O CYS A 48 0.224 2.033 -4.938 1.00 0.00 O ATOM 697 CB CYS A 48 -2.338 2.500 -3.474 1.00 0.00 C ATOM 698 SG CYS A 48 -3.028 1.015 -2.657 1.00 0.00 S ATOM 0 H CYS A 48 -1.061 4.663 -4.125 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.904 2.695 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.009 3.340 -3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.320 2.330 -4.551 1.00 0.00 H new ATOM 703 N PHE A 49 0.953 1.391 -2.896 1.00 0.00 N ATOM 704 CA PHE A 49 2.024 0.559 -3.417 1.00 0.00 C ATOM 705 C PHE A 49 2.060 -0.796 -2.707 1.00 0.00 C ATOM 706 O PHE A 49 1.459 -0.961 -1.646 1.00 0.00 O ATOM 707 CB PHE A 49 3.336 1.298 -3.148 1.00 0.00 C ATOM 708 CG PHE A 49 3.454 1.861 -1.731 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.589 1.018 -0.673 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.423 3.206 -1.529 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.699 1.541 0.643 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.533 3.729 -0.213 1.00 0.00 C ATOM 713 CZ PHE A 49 3.668 2.885 0.845 1.00 0.00 C ATOM 0 H PHE A 49 0.886 1.412 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 49 1.871 0.378 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.168 0.617 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.433 2.116 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.613 -0.050 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.315 3.876 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.807 0.871 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.509 4.797 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.751 3.283 1.846 1.00 0.00 H new ATOM 723 N LYS A 50 2.771 -1.731 -3.320 1.00 0.00 N ATOM 724 CA LYS A 50 2.894 -3.066 -2.760 1.00 0.00 C ATOM 725 C LYS A 50 3.624 -2.986 -1.418 1.00 0.00 C ATOM 726 O LYS A 50 4.284 -1.990 -1.125 1.00 0.00 O ATOM 727 CB LYS A 50 3.556 -4.010 -3.765 1.00 0.00 C ATOM 728 CG LYS A 50 2.834 -3.969 -5.114 1.00 0.00 C ATOM 729 CD LYS A 50 3.200 -5.184 -5.969 1.00 0.00 C ATOM 730 CE LYS A 50 2.340 -6.395 -5.597 1.00 0.00 C ATOM 731 NZ LYS A 50 2.206 -7.309 -6.753 1.00 0.00 N ATOM 0 H LYS A 50 3.268 -1.590 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 50 1.909 -3.489 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.601 -3.730 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.547 -5.028 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.756 -3.944 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.098 -3.054 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.062 -4.946 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.254 -5.426 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.790 -6.924 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.354 -6.063 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.620 -8.125 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.756 -6.805 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.148 -7.640 -7.045 1.00 0.00 H new ATOM 745 N PRO A 51 3.478 -4.076 -0.618 1.00 0.00 N ATOM 746 CA PRO A 51 4.116 -4.138 0.686 1.00 0.00 C ATOM 747 C PRO A 51 5.618 -4.397 0.549 1.00 0.00 C ATOM 748 O PRO A 51 6.029 -5.378 -0.070 1.00 0.00 O ATOM 749 CB PRO A 51 3.387 -5.247 1.428 1.00 0.00 C ATOM 750 CG PRO A 51 2.687 -6.072 0.360 1.00 0.00 C ATOM 751 CD PRO A 51 2.704 -5.273 -0.933 1.00 0.00 C ATOM 0 HA PRO A 51 4.047 -3.198 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.085 -5.859 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.669 -4.836 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.192 -7.028 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.662 -6.293 0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.163 -5.840 -1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.694 -5.018 -1.255 1.00 0.00 H new ATOM 759 N LEU A 52 6.396 -3.501 1.137 1.00 0.00 N ATOM 760 CA LEU A 52 7.844 -3.620 1.089 1.00 0.00 C ATOM 761 C LEU A 52 8.233 -5.096 1.187 1.00 0.00 C ATOM 762 O LEU A 52 7.738 -5.816 2.052 1.00 0.00 O ATOM 763 CB LEU A 52 8.489 -2.741 2.163 1.00 0.00 C ATOM 764 CG LEU A 52 9.935 -3.084 2.530 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.593 -1.935 3.297 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.007 -4.403 3.301 1.00 0.00 C ATOM 0 H LEU A 52 6.052 -2.689 1.649 1.00 0.00 H new ATOM 0 HA LEU A 52 8.226 -3.252 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.457 -1.705 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.882 -2.800 3.066 1.00 0.00 H new ATOM 0 HG LEU A 52 10.499 -3.220 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.620 -2.204 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.593 -1.038 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.036 -1.744 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.045 -4.623 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.424 -4.321 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.603 -5.207 2.685 1.00 0.00 H new ATOM 778 N GLN A 53 9.117 -5.502 0.287 1.00 0.00 N ATOM 779 CA GLN A 53 9.579 -6.880 0.261 1.00 0.00 C ATOM 780 C GLN A 53 10.387 -7.193 1.522 1.00 0.00 C ATOM 781 O GLN A 53 11.608 -7.330 1.464 1.00 0.00 O ATOM 782 CB GLN A 53 10.400 -7.159 -0.999 1.00 0.00 C ATOM 783 CG GLN A 53 11.634 -6.256 -1.061 1.00 0.00 C ATOM 784 CD GLN A 53 11.500 -5.221 -2.180 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.598 -5.525 -3.357 1.00 0.00 O ATOM 786 NE2 GLN A 53 11.272 -3.984 -1.748 1.00 0.00 N ATOM 0 H GLN A 53 9.525 -4.901 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 53 8.708 -7.534 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.709 -8.204 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.783 -6.998 -1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.766 -5.749 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.525 -6.862 -1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.201 -3.798 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.168 -3.221 -2.417 1.00 0.00 H new ATOM 795 N GLU A 54 9.672 -7.297 2.633 1.00 0.00 N ATOM 796 CA GLU A 54 10.307 -7.591 3.907 1.00 0.00 C ATOM 797 C GLU A 54 11.292 -8.752 3.753 1.00 0.00 C ATOM 798 O GLU A 54 10.885 -9.889 3.517 1.00 0.00 O ATOM 799 CB GLU A 54 9.263 -7.897 4.983 1.00 0.00 C ATOM 800 CG GLU A 54 8.707 -9.313 4.820 1.00 0.00 C ATOM 801 CD GLU A 54 9.502 -10.314 5.662 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.676 -10.003 5.956 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.916 -11.368 5.992 1.00 0.00 O ATOM 0 H GLU A 54 8.659 -7.183 2.677 1.00 0.00 H new ATOM 0 HA GLU A 54 10.862 -6.709 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.711 -7.790 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.450 -7.174 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.659 -9.333 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.745 -9.604 3.770 1.00 0.00 H new ATOM 810 N ALA A 55 12.569 -8.426 3.892 1.00 0.00 N ATOM 811 CA ALA A 55 13.615 -9.427 3.771 1.00 0.00 C ATOM 812 C ALA A 55 14.670 -9.188 4.853 1.00 0.00 C ATOM 813 O ALA A 55 15.264 -8.113 4.920 1.00 0.00 O ATOM 814 CB ALA A 55 14.205 -9.382 2.361 1.00 0.00 C ATOM 0 H ALA A 55 12.903 -7.482 4.087 1.00 0.00 H new ATOM 0 HA ALA A 55 13.209 -10.427 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.990 -10.133 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.421 -9.587 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.625 -8.394 2.174 1.00 0.00 H new ATOM 820 N GLU A 56 14.873 -10.209 5.673 1.00 0.00 N ATOM 821 CA GLU A 56 15.846 -10.124 6.748 1.00 0.00 C ATOM 822 C GLU A 56 15.382 -9.122 7.807 1.00 0.00 C ATOM 823 O GLU A 56 15.058 -9.506 8.930 1.00 0.00 O ATOM 824 CB GLU A 56 17.228 -9.749 6.208 1.00 0.00 C ATOM 825 CG GLU A 56 18.336 -10.420 7.023 1.00 0.00 C ATOM 826 CD GLU A 56 18.914 -11.624 6.275 1.00 0.00 C ATOM 827 OE1 GLU A 56 19.675 -11.382 5.313 1.00 0.00 O ATOM 828 OE2 GLU A 56 18.582 -12.758 6.682 1.00 0.00 O ATOM 0 H GLU A 56 14.380 -11.100 5.614 1.00 0.00 H new ATOM 0 HA GLU A 56 15.928 -11.105 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.308 -10.049 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.353 -8.667 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.128 -9.700 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.940 -10.742 7.986 1.00 0.00 H new ATOM 835 N CYS A 57 15.363 -7.858 7.412 1.00 0.00 N ATOM 836 CA CYS A 57 14.943 -6.798 8.313 1.00 0.00 C ATOM 837 C CYS A 57 14.263 -5.705 7.486 1.00 0.00 C ATOM 838 O CYS A 57 13.073 -5.443 7.656 1.00 0.00 O ATOM 839 CB CYS A 57 16.117 -6.250 9.128 1.00 0.00 C ATOM 840 SG CYS A 57 15.641 -5.337 10.640 1.00 0.00 S ATOM 0 H CYS A 57 15.632 -7.544 6.480 1.00 0.00 H new ATOM 0 HA CYS A 57 14.235 -7.195 9.040 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.764 -7.080 9.410 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.706 -5.589 8.492 1.00 0.00 H new ATOM 0 HG CYS A 57 16.711 -4.922 11.251 1.00 0.00 H new ATOM 845 N THR A 58 15.047 -5.098 6.608 1.00 0.00 N ATOM 846 CA THR A 58 14.535 -4.039 5.754 1.00 0.00 C ATOM 847 C THR A 58 15.134 -4.151 4.350 1.00 0.00 C ATOM 848 O THR A 58 14.415 -4.059 3.356 1.00 0.00 O ATOM 849 CB THR A 58 14.827 -2.700 6.434 1.00 0.00 C ATOM 850 OG1 THR A 58 14.541 -1.731 5.429 1.00 0.00 O ATOM 851 CG2 THR A 58 16.316 -2.505 6.728 1.00 0.00 C ATOM 0 H THR A 58 16.033 -5.319 6.469 1.00 0.00 H new ATOM 0 HA THR A 58 13.456 -4.124 5.622 1.00 0.00 H new ATOM 0 HB THR A 58 14.262 -2.634 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.702 -0.833 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.468 -1.539 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.664 -3.299 7.388 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.878 -2.537 5.795 1.00 0.00 H new ATOM 859 N PHE A 59 16.443 -4.347 4.313 1.00 0.00 N ATOM 860 CA PHE A 59 17.146 -4.472 3.048 1.00 0.00 C ATOM 861 C PHE A 59 18.374 -5.375 3.189 1.00 0.00 C ATOM 862 O PHE A 59 18.929 -5.507 4.278 1.00 0.00 O ATOM 863 CB PHE A 59 17.605 -3.067 2.650 1.00 0.00 C ATOM 864 CG PHE A 59 18.125 -2.965 1.215 1.00 0.00 C ATOM 865 CD1 PHE A 59 17.286 -3.196 0.170 1.00 0.00 C ATOM 866 CD2 PHE A 59 19.426 -2.644 0.984 1.00 0.00 C ATOM 867 CE1 PHE A 59 17.768 -3.101 -1.162 1.00 0.00 C ATOM 868 CE2 PHE A 59 19.908 -2.549 -0.348 1.00 0.00 C ATOM 869 CZ PHE A 59 19.069 -2.780 -1.393 1.00 0.00 C ATOM 0 H PHE A 59 17.036 -4.422 5.139 1.00 0.00 H new ATOM 0 HA PHE A 59 16.488 -4.913 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 59 16.772 -2.375 2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 59 18.390 -2.745 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.253 -3.452 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 59 20.093 -2.461 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.101 -3.284 -1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 59 20.941 -2.293 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 19.436 -2.709 -2.406 1.00 0.00 H new TER 879 PHE A 59