USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 363 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 Set 1.1: A 6 CYS SG : rot -156:sc= 3.08 USER MOD Set 1.2: A 9 CYS SG : rot -120:sc= 1.32 USER MOD Set 1.3: A 39 CYS SG : rot 159:sc= 1.01 USER MOD Set 1.4: A 42 CYS SG : rot 122:sc= 0.531 USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 1.11 (180deg=1.09) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.07) USER MOD Single : A 4 TYR OH : rot -49:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 7 THR OG1 : rot 81:sc= 0.731 USER MOD Single : A 11 TYR OH : rot -155:sc= 1.01 USER MOD Single : A 13 TYR OH : rot 173:sc= 0.93 USER MOD Single : A 14 ASN : amide:sc= -0.852 K(o=-0.85,f=-7.8!) USER MOD Single : A 22 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 25 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0.41 (180deg=0.0705!) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 2.3 (180deg=2.01) USER MOD Single : A 48 GLN : amide:sc= -0.0358 K(o=-0.036,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -2.372 -0.454 10.768 1.00 0.00 N ATOM 21 CA LYS A 2 -1.313 -1.434 10.581 1.00 0.00 C ATOM 22 C LYS A 2 -0.676 -1.308 9.202 1.00 0.00 C ATOM 23 O LYS A 2 -1.325 -0.946 8.225 1.00 0.00 O ATOM 24 CB LYS A 2 -1.842 -2.856 10.759 1.00 0.00 C ATOM 25 CG LYS A 2 -2.209 -3.166 12.214 1.00 0.00 C ATOM 26 CD LYS A 2 -1.419 -4.401 12.664 1.00 0.00 C ATOM 27 CE LYS A 2 -1.960 -5.006 13.958 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.575 -4.196 15.129 1.00 0.00 N ATOM 0 HA LYS A 2 -0.557 -1.233 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.720 -2.996 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.089 -3.566 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.976 -2.314 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.280 -3.348 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.448 -5.153 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.373 -4.127 12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.046 -5.076 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.580 -6.021 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.807 -4.714 16.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.553 -4.008 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.094 -3.295 15.113 1.00 0.00 H new ATOM 42 N LYS A 3 0.608 -1.637 9.129 1.00 0.00 N ATOM 43 CA LYS A 3 1.362 -1.705 7.895 1.00 0.00 C ATOM 44 C LYS A 3 0.963 -2.977 7.151 1.00 0.00 C ATOM 45 O LYS A 3 0.285 -3.826 7.727 1.00 0.00 O ATOM 46 CB LYS A 3 2.846 -1.634 8.265 1.00 0.00 C ATOM 47 CG LYS A 3 3.101 -0.319 9.010 1.00 0.00 C ATOM 48 CD LYS A 3 4.556 -0.122 9.445 1.00 0.00 C ATOM 49 CE LYS A 3 4.612 1.011 10.483 1.00 0.00 C ATOM 50 NZ LYS A 3 5.992 1.322 10.896 1.00 0.00 N ATOM 0 H LYS A 3 1.164 -1.869 9.952 1.00 0.00 H new ATOM 0 HA LYS A 3 1.153 -0.878 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.121 -2.483 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.463 -1.686 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.808 0.513 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.461 -0.283 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.951 -1.044 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.178 0.123 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.149 1.906 10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.028 0.728 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.999 2.204 11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.363 0.546 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.589 1.436 10.052 1.00 0.00 H new ATOM 64 N TYR A 4 1.361 -3.111 5.886 1.00 0.00 N ATOM 65 CA TYR A 4 1.022 -4.281 5.060 1.00 0.00 C ATOM 66 C TYR A 4 2.160 -4.666 4.097 1.00 0.00 C ATOM 67 O TYR A 4 2.764 -3.774 3.504 1.00 0.00 O ATOM 68 CB TYR A 4 -0.289 -4.069 4.266 1.00 0.00 C ATOM 69 CG TYR A 4 -1.588 -4.223 5.045 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.002 -3.271 5.995 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.405 -5.342 4.805 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.097 -3.544 6.833 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.565 -5.559 5.563 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.873 -4.697 6.625 1.00 0.00 C ATOM 75 OH TYR A 4 -4.952 -4.956 7.413 1.00 0.00 O ATOM 0 H TYR A 4 1.927 -2.415 5.401 1.00 0.00 H new ATOM 0 HA TYR A 4 0.874 -5.105 5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.268 -3.069 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.303 -4.776 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.478 -2.330 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.136 -6.042 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.342 -2.867 7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.218 -6.387 5.330 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.697 -4.870 8.355 1.00 0.00 H new ATOM 85 N THR A 5 2.451 -5.967 3.912 1.00 0.00 N ATOM 86 CA THR A 5 3.492 -6.442 2.985 1.00 0.00 C ATOM 87 C THR A 5 2.936 -6.620 1.567 1.00 0.00 C ATOM 88 O THR A 5 1.840 -7.145 1.419 1.00 0.00 O ATOM 89 CB THR A 5 4.074 -7.779 3.474 1.00 0.00 C ATOM 90 OG1 THR A 5 4.215 -7.770 4.879 1.00 0.00 O ATOM 91 CG2 THR A 5 5.454 -8.045 2.864 1.00 0.00 C ATOM 0 H THR A 5 1.969 -6.720 4.403 1.00 0.00 H new ATOM 0 HA THR A 5 4.278 -5.688 2.959 1.00 0.00 H new ATOM 0 HB THR A 5 3.381 -8.561 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.585 -8.628 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.836 -8.998 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.371 -8.081 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.138 -7.246 3.149 1.00 0.00 H new ATOM 99 N CYS A 6 3.677 -6.209 0.529 1.00 0.00 N ATOM 100 CA CYS A 6 3.279 -6.456 -0.856 1.00 0.00 C ATOM 101 C CYS A 6 3.232 -7.960 -1.118 1.00 0.00 C ATOM 102 O CYS A 6 4.005 -8.718 -0.538 1.00 0.00 O ATOM 103 CB CYS A 6 4.214 -5.740 -1.808 1.00 0.00 C ATOM 104 SG CYS A 6 3.897 -6.072 -3.578 1.00 0.00 S ATOM 0 H CYS A 6 4.557 -5.703 0.627 1.00 0.00 H new ATOM 0 HA CYS A 6 2.279 -6.057 -1.027 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.137 -4.667 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.239 -6.028 -1.575 1.00 0.00 H new ATOM 0 HG CYS A 6 4.985 -5.867 -4.260 1.00 0.00 H new ATOM 109 N THR A 7 2.344 -8.370 -2.029 1.00 0.00 N ATOM 110 CA THR A 7 2.226 -9.725 -2.542 1.00 0.00 C ATOM 111 C THR A 7 3.595 -10.349 -2.846 1.00 0.00 C ATOM 112 O THR A 7 3.763 -11.557 -2.679 1.00 0.00 O ATOM 113 CB THR A 7 1.350 -9.679 -3.806 1.00 0.00 C ATOM 114 OG1 THR A 7 0.110 -9.079 -3.493 1.00 0.00 O ATOM 115 CG2 THR A 7 1.072 -11.066 -4.390 1.00 0.00 C ATOM 0 H THR A 7 1.662 -7.734 -2.442 1.00 0.00 H new ATOM 0 HA THR A 7 1.766 -10.358 -1.783 1.00 0.00 H new ATOM 0 HB THR A 7 1.901 -9.104 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.211 -8.104 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.450 -10.968 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.015 -11.544 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.554 -11.675 -3.650 1.00 0.00 H new ATOM 123 N VAL A 8 4.547 -9.551 -3.344 1.00 0.00 N ATOM 124 CA VAL A 8 5.900 -10.009 -3.651 1.00 0.00 C ATOM 125 C VAL A 8 6.978 -9.104 -3.040 1.00 0.00 C ATOM 126 O VAL A 8 7.997 -9.616 -2.575 1.00 0.00 O ATOM 127 CB VAL A 8 6.085 -10.217 -5.168 1.00 0.00 C ATOM 128 CG1 VAL A 8 5.303 -11.445 -5.652 1.00 0.00 C ATOM 129 CG2 VAL A 8 5.676 -8.996 -6.004 1.00 0.00 C ATOM 0 H VAL A 8 4.395 -8.563 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 8 6.031 -10.981 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 8 7.154 -10.372 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.450 -11.570 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.661 -12.333 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.242 -11.306 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.832 -9.210 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.624 -8.772 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.282 -8.137 -5.715 1.00 0.00 H new ATOM 139 N CYS A 9 6.811 -7.779 -3.064 1.00 0.00 N ATOM 140 CA CYS A 9 7.878 -6.871 -2.665 1.00 0.00 C ATOM 141 C CYS A 9 8.041 -6.794 -1.144 1.00 0.00 C ATOM 142 O CYS A 9 7.122 -7.074 -0.378 1.00 0.00 O ATOM 143 CB CYS A 9 7.639 -5.490 -3.215 1.00 0.00 C ATOM 144 SG CYS A 9 7.042 -5.522 -4.923 1.00 0.00 S ATOM 0 H CYS A 9 5.949 -7.317 -3.355 1.00 0.00 H new ATOM 0 HA CYS A 9 8.801 -7.276 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.912 -4.973 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.565 -4.917 -3.167 1.00 0.00 H new ATOM 0 HG CYS A 9 7.877 -4.882 -5.687 1.00 0.00 H new ATOM 149 N GLY A 10 9.211 -6.325 -0.702 1.00 0.00 N ATOM 150 CA GLY A 10 9.488 -6.069 0.704 1.00 0.00 C ATOM 151 C GLY A 10 9.343 -4.590 1.067 1.00 0.00 C ATOM 152 O GLY A 10 9.785 -4.190 2.141 1.00 0.00 O ATOM 0 H GLY A 10 9.995 -6.112 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.809 -6.659 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.500 -6.400 0.938 1.00 0.00 H new ATOM 156 N TYR A 11 8.754 -3.763 0.191 1.00 0.00 N ATOM 157 CA TYR A 11 8.659 -2.322 0.421 1.00 0.00 C ATOM 158 C TYR A 11 7.870 -2.013 1.696 1.00 0.00 C ATOM 159 O TYR A 11 8.282 -1.159 2.475 1.00 0.00 O ATOM 160 CB TYR A 11 8.019 -1.615 -0.782 1.00 0.00 C ATOM 161 CG TYR A 11 8.731 -1.797 -2.111 1.00 0.00 C ATOM 162 CD1 TYR A 11 10.085 -1.436 -2.260 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.012 -2.258 -3.227 1.00 0.00 C ATOM 164 CE1 TYR A 11 10.729 -1.604 -3.501 1.00 0.00 C ATOM 165 CE2 TYR A 11 8.666 -2.460 -4.451 1.00 0.00 C ATOM 166 CZ TYR A 11 10.018 -2.127 -4.597 1.00 0.00 C ATOM 167 OH TYR A 11 10.619 -2.261 -5.814 1.00 0.00 O ATOM 0 H TYR A 11 8.336 -4.074 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 11 9.674 -1.944 0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.995 -1.974 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.962 -0.548 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.630 -1.030 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.954 -2.457 -3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.768 -1.332 -3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.123 -2.875 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 11 9.938 -2.244 -6.519 1.00 0.00 H new ATOM 177 N ILE A 12 6.747 -2.717 1.880 1.00 0.00 N ATOM 178 CA ILE A 12 5.804 -2.560 2.982 1.00 0.00 C ATOM 179 C ILE A 12 5.041 -1.233 2.880 1.00 0.00 C ATOM 180 O ILE A 12 5.607 -0.155 3.042 1.00 0.00 O ATOM 181 CB ILE A 12 6.457 -2.835 4.360 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.540 -4.365 4.525 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.671 -2.195 5.521 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.469 -4.825 5.651 1.00 0.00 C ATOM 0 H ILE A 12 6.461 -3.448 1.228 1.00 0.00 H new ATOM 0 HA ILE A 12 5.042 -3.334 2.892 1.00 0.00 H new ATOM 0 HB ILE A 12 7.448 -2.383 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.539 -4.754 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.881 -4.802 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.170 -2.417 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.627 -1.115 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.659 -2.599 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.470 -5.914 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.481 -4.469 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.118 -4.420 6.600 1.00 0.00 H new ATOM 196 N TYR A 13 3.729 -1.313 2.634 1.00 0.00 N ATOM 197 CA TYR A 13 2.867 -0.147 2.703 1.00 0.00 C ATOM 198 C TYR A 13 2.749 0.274 4.168 1.00 0.00 C ATOM 199 O TYR A 13 2.494 -0.571 5.031 1.00 0.00 O ATOM 200 CB TYR A 13 1.485 -0.454 2.112 1.00 0.00 C ATOM 201 CG TYR A 13 0.515 0.702 2.286 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.667 1.859 1.508 1.00 0.00 C ATOM 203 CD2 TYR A 13 -0.411 0.690 3.343 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.065 3.019 1.815 1.00 0.00 C ATOM 205 CE2 TYR A 13 -1.144 1.858 3.656 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.960 3.034 2.897 1.00 0.00 C ATOM 207 OH TYR A 13 -1.761 4.137 3.056 1.00 0.00 O ATOM 0 H TYR A 13 3.248 -2.178 2.386 1.00 0.00 H new ATOM 0 HA TYR A 13 3.296 0.666 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.588 -0.682 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.077 -1.344 2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.349 1.859 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.563 -0.212 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.062 3.907 1.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.846 1.850 4.477 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.406 3.972 3.775 1.00 0.00 H new ATOM 217 N ASN A 14 2.920 1.573 4.438 1.00 0.00 N ATOM 218 CA ASN A 14 2.790 2.157 5.765 1.00 0.00 C ATOM 219 C ASN A 14 1.695 3.219 5.754 1.00 0.00 C ATOM 220 O ASN A 14 1.882 4.256 5.127 1.00 0.00 O ATOM 221 CB ASN A 14 4.122 2.771 6.213 1.00 0.00 C ATOM 222 CG ASN A 14 4.021 3.346 7.620 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.004 3.220 8.296 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.090 3.943 8.113 1.00 0.00 N ATOM 0 H ASN A 14 3.158 2.257 3.720 1.00 0.00 H new ATOM 0 HA ASN A 14 2.519 1.373 6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.903 2.011 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.415 3.557 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.077 4.306 9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.929 4.041 7.541 1.00 0.00 H new ATOM 231 N PRO A 15 0.568 3.018 6.452 1.00 0.00 N ATOM 232 CA PRO A 15 -0.535 3.959 6.419 1.00 0.00 C ATOM 233 C PRO A 15 -0.135 5.333 6.900 1.00 0.00 C ATOM 234 O PRO A 15 -0.521 6.322 6.287 1.00 0.00 O ATOM 235 CB PRO A 15 -1.672 3.374 7.257 1.00 0.00 C ATOM 236 CG PRO A 15 -1.020 2.229 8.026 1.00 0.00 C ATOM 237 CD PRO A 15 0.295 1.907 7.339 1.00 0.00 C ATOM 0 HA PRO A 15 -0.861 4.100 5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.093 4.119 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.488 3.018 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.850 2.513 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.671 1.355 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.096 1.785 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.225 0.972 6.783 1.00 0.00 H new ATOM 245 N GLU A 16 0.647 5.403 7.972 1.00 0.00 N ATOM 246 CA GLU A 16 1.056 6.672 8.534 1.00 0.00 C ATOM 247 C GLU A 16 1.836 7.514 7.520 1.00 0.00 C ATOM 248 O GLU A 16 1.738 8.740 7.531 1.00 0.00 O ATOM 249 CB GLU A 16 1.851 6.398 9.805 1.00 0.00 C ATOM 250 CG GLU A 16 0.968 5.664 10.830 1.00 0.00 C ATOM 251 CD GLU A 16 1.477 5.833 12.253 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.427 6.984 12.736 1.00 0.00 O ATOM 253 OE2 GLU A 16 1.874 4.804 12.837 1.00 0.00 O ATOM 0 H GLU A 16 1.009 4.588 8.467 1.00 0.00 H new ATOM 0 HA GLU A 16 0.178 7.267 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.729 5.796 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.211 7.336 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.052 6.041 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.932 4.603 10.582 1.00 0.00 H new ATOM 260 N ASP A 17 2.568 6.846 6.626 1.00 0.00 N ATOM 261 CA ASP A 17 3.336 7.501 5.565 1.00 0.00 C ATOM 262 C ASP A 17 2.479 7.659 4.304 1.00 0.00 C ATOM 263 O ASP A 17 2.671 8.586 3.519 1.00 0.00 O ATOM 264 CB ASP A 17 4.589 6.683 5.238 1.00 0.00 C ATOM 265 CG ASP A 17 5.739 6.860 6.219 1.00 0.00 C ATOM 266 OD1 ASP A 17 6.115 8.025 6.464 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.245 5.814 6.689 1.00 0.00 O ATOM 0 H ASP A 17 2.645 5.829 6.618 1.00 0.00 H new ATOM 0 HA ASP A 17 3.635 8.489 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.318 5.628 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.935 6.956 4.241 1.00 0.00 H new ATOM 272 N GLY A 18 1.530 6.744 4.097 1.00 0.00 N ATOM 273 CA GLY A 18 0.810 6.597 2.852 1.00 0.00 C ATOM 274 C GLY A 18 1.759 6.217 1.713 1.00 0.00 C ATOM 275 O GLY A 18 2.820 5.641 1.946 1.00 0.00 O ATOM 0 H GLY A 18 1.242 6.075 4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.041 5.832 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.300 7.530 2.610 1.00 0.00 H new ATOM 279 N ASP A 19 1.361 6.547 0.483 1.00 0.00 N ATOM 280 CA ASP A 19 2.155 6.406 -0.733 1.00 0.00 C ATOM 281 C ASP A 19 1.783 7.568 -1.678 1.00 0.00 C ATOM 282 O ASP A 19 1.246 7.352 -2.774 1.00 0.00 O ATOM 283 CB ASP A 19 1.937 4.999 -1.336 1.00 0.00 C ATOM 284 CG ASP A 19 3.195 4.131 -1.280 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.223 4.567 -1.845 1.00 0.00 O ATOM 286 OD2 ASP A 19 3.090 3.019 -0.721 1.00 0.00 O ATOM 0 H ASP A 19 0.436 6.937 0.302 1.00 0.00 H new ATOM 0 HA ASP A 19 3.225 6.476 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.131 4.499 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.615 5.098 -2.373 1.00 0.00 H new ATOM 291 N PRO A 20 2.011 8.827 -1.259 1.00 0.00 N ATOM 292 CA PRO A 20 1.492 9.999 -1.952 1.00 0.00 C ATOM 293 C PRO A 20 2.028 10.092 -3.376 1.00 0.00 C ATOM 294 O PRO A 20 1.293 10.490 -4.277 1.00 0.00 O ATOM 295 CB PRO A 20 1.881 11.215 -1.106 1.00 0.00 C ATOM 296 CG PRO A 20 3.026 10.708 -0.229 1.00 0.00 C ATOM 297 CD PRO A 20 2.710 9.225 -0.047 1.00 0.00 C ATOM 0 HA PRO A 20 0.409 9.942 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.197 12.051 -1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.043 11.566 -0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.994 10.856 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.061 11.231 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.621 8.643 0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.091 9.061 0.835 1.00 0.00 H new ATOM 305 N ASP A 21 3.276 9.669 -3.588 1.00 0.00 N ATOM 306 CA ASP A 21 3.942 9.637 -4.877 1.00 0.00 C ATOM 307 C ASP A 21 3.126 8.854 -5.907 1.00 0.00 C ATOM 308 O ASP A 21 3.192 9.124 -7.104 1.00 0.00 O ATOM 309 CB ASP A 21 5.312 8.984 -4.665 1.00 0.00 C ATOM 310 CG ASP A 21 6.173 9.794 -3.707 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.799 9.802 -2.513 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.154 10.401 -4.186 1.00 0.00 O ATOM 0 H ASP A 21 3.868 9.327 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 21 4.051 10.649 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.179 7.976 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.823 8.888 -5.623 1.00 0.00 H new ATOM 317 N ASN A 22 2.366 7.868 -5.425 1.00 0.00 N ATOM 318 CA ASN A 22 1.544 6.970 -6.220 1.00 0.00 C ATOM 319 C ASN A 22 0.103 7.456 -6.220 1.00 0.00 C ATOM 320 O ASN A 22 -0.610 7.297 -7.208 1.00 0.00 O ATOM 321 CB ASN A 22 1.603 5.543 -5.663 1.00 0.00 C ATOM 322 CG ASN A 22 3.001 5.050 -5.318 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.598 4.267 -6.048 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.484 5.480 -4.158 1.00 0.00 N ATOM 0 H ASN A 22 2.308 7.670 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 22 1.929 6.963 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.984 5.492 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.164 4.864 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.396 5.158 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.943 6.132 -3.591 1.00 0.00 H new ATOM 331 N GLY A 23 -0.318 8.041 -5.097 1.00 0.00 N ATOM 332 CA GLY A 23 -1.578 8.753 -4.977 1.00 0.00 C ATOM 333 C GLY A 23 -2.295 8.533 -3.641 1.00 0.00 C ATOM 334 O GLY A 23 -3.458 8.911 -3.514 1.00 0.00 O ATOM 0 H GLY A 23 0.223 8.029 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.394 9.819 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.238 8.442 -5.787 1.00 0.00 H new ATOM 338 N VAL A 24 -1.639 7.934 -2.639 1.00 0.00 N ATOM 339 CA VAL A 24 -2.250 7.629 -1.348 1.00 0.00 C ATOM 340 C VAL A 24 -1.688 8.579 -0.298 1.00 0.00 C ATOM 341 O VAL A 24 -0.511 8.520 0.034 1.00 0.00 O ATOM 342 CB VAL A 24 -1.978 6.160 -1.009 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.334 5.797 0.431 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.836 5.279 -1.920 1.00 0.00 C ATOM 0 H VAL A 24 -0.662 7.647 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.330 7.771 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.909 6.000 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.117 4.743 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.745 6.406 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.395 5.982 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.652 4.230 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.890 5.507 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.578 5.472 -2.961 1.00 0.00 H new ATOM 354 N ASN A 25 -2.525 9.468 0.228 1.00 0.00 N ATOM 355 CA ASN A 25 -2.104 10.438 1.230 1.00 0.00 C ATOM 356 C ASN A 25 -1.690 9.726 2.522 1.00 0.00 C ATOM 357 O ASN A 25 -2.185 8.632 2.800 1.00 0.00 O ATOM 358 CB ASN A 25 -3.247 11.426 1.497 1.00 0.00 C ATOM 359 CG ASN A 25 -3.288 12.548 0.467 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.167 13.719 0.809 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.449 12.208 -0.809 1.00 0.00 N ATOM 0 H ASN A 25 -3.510 9.535 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.240 10.988 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.197 10.892 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.131 11.853 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.474 12.929 -1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.547 11.226 -1.067 1.00 0.00 H new ATOM 368 N PRO A 26 -0.809 10.324 3.336 1.00 0.00 N ATOM 369 CA PRO A 26 -0.501 9.789 4.647 1.00 0.00 C ATOM 370 C PRO A 26 -1.755 9.709 5.512 1.00 0.00 C ATOM 371 O PRO A 26 -2.668 10.524 5.392 1.00 0.00 O ATOM 372 CB PRO A 26 0.568 10.693 5.258 1.00 0.00 C ATOM 373 CG PRO A 26 0.560 11.957 4.397 1.00 0.00 C ATOM 374 CD PRO A 26 -0.074 11.546 3.069 1.00 0.00 C ATOM 0 HA PRO A 26 -0.125 8.768 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.341 10.924 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.546 10.212 5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.012 12.753 4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.571 12.336 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.737 12.326 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.688 11.384 2.307 1.00 0.00 H new ATOM 382 N GLY A 27 -1.792 8.692 6.369 1.00 0.00 N ATOM 383 CA GLY A 27 -2.908 8.391 7.242 1.00 0.00 C ATOM 384 C GLY A 27 -4.054 7.696 6.516 1.00 0.00 C ATOM 385 O GLY A 27 -5.158 7.662 7.057 1.00 0.00 O ATOM 0 H GLY A 27 -1.017 8.037 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.564 7.757 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.274 9.316 7.688 1.00 0.00 H new ATOM 389 N THR A 28 -3.829 7.112 5.332 1.00 0.00 N ATOM 390 CA THR A 28 -4.878 6.394 4.650 1.00 0.00 C ATOM 391 C THR A 28 -4.820 4.951 5.107 1.00 0.00 C ATOM 392 O THR A 28 -3.807 4.275 4.911 1.00 0.00 O ATOM 393 CB THR A 28 -4.668 6.503 3.139 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.757 7.850 2.729 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.741 5.721 2.395 1.00 0.00 C ATOM 0 H THR A 28 -2.935 7.130 4.842 1.00 0.00 H new ATOM 0 HA THR A 28 -5.858 6.811 4.882 1.00 0.00 H new ATOM 0 HB THR A 28 -3.681 6.100 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.871 8.266 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.577 5.809 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.693 4.671 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.723 6.122 2.646 1.00 0.00 H new ATOM 403 N ASP A 29 -5.923 4.481 5.687 1.00 0.00 N ATOM 404 CA ASP A 29 -6.105 3.078 5.974 1.00 0.00 C ATOM 405 C ASP A 29 -5.978 2.304 4.679 1.00 0.00 C ATOM 406 O ASP A 29 -6.589 2.655 3.671 1.00 0.00 O ATOM 407 CB ASP A 29 -7.485 2.837 6.564 1.00 0.00 C ATOM 408 CG ASP A 29 -7.611 1.452 7.172 1.00 0.00 C ATOM 409 OD1 ASP A 29 -7.294 0.490 6.445 1.00 0.00 O ATOM 410 OD2 ASP A 29 -8.041 1.367 8.340 1.00 0.00 O ATOM 0 H ASP A 29 -6.708 5.069 5.967 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.352 2.752 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.689 3.588 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.238 2.961 5.786 1.00 0.00 H new ATOM 415 N PHE A 30 -5.213 1.227 4.727 1.00 0.00 N ATOM 416 CA PHE A 30 -5.069 0.307 3.625 1.00 0.00 C ATOM 417 C PHE A 30 -6.409 -0.112 3.027 1.00 0.00 C ATOM 418 O PHE A 30 -6.500 -0.346 1.820 1.00 0.00 O ATOM 419 CB PHE A 30 -4.345 -0.918 4.169 1.00 0.00 C ATOM 420 CG PHE A 30 -3.731 -1.745 3.081 1.00 0.00 C ATOM 421 CD1 PHE A 30 -2.788 -1.149 2.232 1.00 0.00 C ATOM 422 CD2 PHE A 30 -4.103 -3.084 2.895 1.00 0.00 C ATOM 423 CE1 PHE A 30 -2.156 -1.893 1.237 1.00 0.00 C ATOM 424 CE2 PHE A 30 -3.409 -3.855 1.958 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.454 -3.251 1.124 1.00 0.00 C ATOM 0 H PHE A 30 -4.668 0.968 5.549 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.515 0.793 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.567 -0.599 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.047 -1.530 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.549 -0.102 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.913 -3.513 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.449 -1.427 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.607 -4.914 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.942 -3.847 0.383 1.00 0.00 H new ATOM 435 N LYS A 31 -7.469 -0.198 3.832 1.00 0.00 N ATOM 436 CA LYS A 31 -8.751 -0.587 3.280 1.00 0.00 C ATOM 437 C LYS A 31 -9.271 0.529 2.370 1.00 0.00 C ATOM 438 O LYS A 31 -9.770 0.265 1.278 1.00 0.00 O ATOM 439 CB LYS A 31 -9.709 -0.989 4.399 1.00 0.00 C ATOM 440 CG LYS A 31 -10.183 0.247 5.148 1.00 0.00 C ATOM 441 CD LYS A 31 -10.817 -0.148 6.476 1.00 0.00 C ATOM 442 CE LYS A 31 -11.219 1.084 7.302 1.00 0.00 C ATOM 443 NZ LYS A 31 -12.089 2.021 6.563 1.00 0.00 N ATOM 0 H LYS A 31 -7.462 -0.009 4.834 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.652 -1.473 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.564 -1.522 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.211 -1.672 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.342 0.918 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.905 0.793 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.696 -0.765 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.116 -0.756 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.734 0.756 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.319 1.609 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.160 2.916 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.684 2.202 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.037 1.606 6.458 1.00 0.00 H new ATOM 457 N ASP A 32 -9.088 1.774 2.818 1.00 0.00 N ATOM 458 CA ASP A 32 -9.625 2.979 2.208 1.00 0.00 C ATOM 459 C ASP A 32 -8.841 3.335 0.948 1.00 0.00 C ATOM 460 O ASP A 32 -9.311 4.130 0.137 1.00 0.00 O ATOM 461 CB ASP A 32 -9.602 4.126 3.237 1.00 0.00 C ATOM 462 CG ASP A 32 -10.563 3.898 4.403 1.00 0.00 C ATOM 463 OD1 ASP A 32 -11.520 3.106 4.251 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.318 4.439 5.499 1.00 0.00 O ATOM 0 H ASP A 32 -8.536 1.971 3.653 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.659 2.808 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.589 4.240 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.859 5.060 2.738 1.00 0.00 H new ATOM 469 N ILE A 33 -7.654 2.748 0.755 1.00 0.00 N ATOM 470 CA ILE A 33 -6.916 2.896 -0.474 1.00 0.00 C ATOM 471 C ILE A 33 -7.797 2.454 -1.641 1.00 0.00 C ATOM 472 O ILE A 33 -8.363 1.357 -1.580 1.00 0.00 O ATOM 473 CB ILE A 33 -5.677 2.020 -0.388 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.783 2.527 0.736 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.867 1.963 -1.660 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.395 1.902 0.716 1.00 0.00 C ATOM 0 H ILE A 33 -7.192 2.163 1.451 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.623 3.934 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.035 1.008 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.689 3.610 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.257 2.316 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.002 1.317 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.483 1.565 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.530 2.966 -1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.804 2.302 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.481 0.821 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.904 2.135 -0.229 1.00 0.00 H new ATOM 488 N PRO A 34 -7.869 3.260 -2.707 1.00 0.00 N ATOM 489 CA PRO A 34 -8.636 2.928 -3.883 1.00 0.00 C ATOM 490 C PRO A 34 -8.048 1.678 -4.523 1.00 0.00 C ATOM 491 O PRO A 34 -6.832 1.543 -4.625 1.00 0.00 O ATOM 492 CB PRO A 34 -8.531 4.129 -4.825 1.00 0.00 C ATOM 493 CG PRO A 34 -7.420 5.023 -4.258 1.00 0.00 C ATOM 494 CD PRO A 34 -7.019 4.414 -2.915 1.00 0.00 C ATOM 0 HA PRO A 34 -9.681 2.723 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.293 3.808 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.477 4.668 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.568 5.061 -4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.772 6.047 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.968 4.124 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.146 5.137 -2.110 1.00 0.00 H new ATOM 502 N ASP A 35 -8.904 0.783 -5.010 1.00 0.00 N ATOM 503 CA ASP A 35 -8.469 -0.423 -5.697 1.00 0.00 C ATOM 504 C ASP A 35 -7.668 -0.083 -6.966 1.00 0.00 C ATOM 505 O ASP A 35 -6.932 -0.919 -7.483 1.00 0.00 O ATOM 506 CB ASP A 35 -9.711 -1.273 -6.024 1.00 0.00 C ATOM 507 CG ASP A 35 -9.779 -2.572 -5.228 1.00 0.00 C ATOM 508 OD1 ASP A 35 -8.705 -3.153 -4.958 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.920 -2.954 -4.894 1.00 0.00 O ATOM 0 H ASP A 35 -9.917 0.876 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.800 -0.992 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.607 -0.686 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.713 -1.507 -7.089 1.00 0.00 H new ATOM 514 N ASP A 36 -7.800 1.157 -7.454 1.00 0.00 N ATOM 515 CA ASP A 36 -7.067 1.682 -8.596 1.00 0.00 C ATOM 516 C ASP A 36 -5.586 1.917 -8.272 1.00 0.00 C ATOM 517 O ASP A 36 -4.763 2.073 -9.172 1.00 0.00 O ATOM 518 CB ASP A 36 -7.748 2.955 -9.102 1.00 0.00 C ATOM 519 CG ASP A 36 -8.353 2.810 -10.494 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.571 2.583 -11.441 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.592 2.948 -10.586 1.00 0.00 O ATOM 0 H ASP A 36 -8.442 1.838 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.087 0.936 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.533 3.240 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.020 3.767 -9.114 1.00 0.00 H new ATOM 526 N TRP A 37 -5.241 1.995 -6.983 1.00 0.00 N ATOM 527 CA TRP A 37 -3.874 2.238 -6.550 1.00 0.00 C ATOM 528 C TRP A 37 -2.979 1.036 -6.863 1.00 0.00 C ATOM 529 O TRP A 37 -3.448 -0.084 -7.063 1.00 0.00 O ATOM 530 CB TRP A 37 -3.868 2.577 -5.060 1.00 0.00 C ATOM 531 CG TRP A 37 -2.524 2.703 -4.407 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.684 3.758 -4.474 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.826 1.693 -3.624 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.568 3.501 -3.700 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.592 2.231 -3.168 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.116 0.364 -3.276 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.299 1.492 -2.375 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.230 -0.396 -2.487 1.00 0.00 C ATOM 539 CH2 TRP A 37 -0.028 0.170 -2.029 1.00 0.00 C ATOM 0 H TRP A 37 -5.905 1.891 -6.216 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.466 3.086 -7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.404 3.516 -4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.432 1.808 -4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.857 4.660 -5.042 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.184 4.172 -3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.036 -0.085 -3.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.224 1.934 -2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.475 -1.417 -2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.643 -0.410 -1.412 1.00 0.00 H new ATOM 550 N VAL A 38 -1.672 1.293 -6.910 1.00 0.00 N ATOM 551 CA VAL A 38 -0.650 0.377 -7.356 1.00 0.00 C ATOM 552 C VAL A 38 0.541 0.442 -6.396 1.00 0.00 C ATOM 553 O VAL A 38 0.778 1.472 -5.769 1.00 0.00 O ATOM 554 CB VAL A 38 -0.253 0.767 -8.786 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.395 0.453 -9.761 1.00 0.00 C ATOM 556 CG2 VAL A 38 0.134 2.247 -8.933 1.00 0.00 C ATOM 0 H VAL A 38 -1.290 2.193 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.012 -0.651 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 38 0.631 0.174 -9.022 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.099 0.735 -10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.615 -0.614 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.284 1.015 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.403 2.452 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.710 2.874 -8.647 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.984 2.467 -8.287 1.00 0.00 H new ATOM 566 N CYS A 39 1.270 -0.669 -6.281 1.00 0.00 N ATOM 567 CA CYS A 39 2.437 -0.802 -5.422 1.00 0.00 C ATOM 568 C CYS A 39 3.599 -0.003 -6.034 1.00 0.00 C ATOM 569 O CYS A 39 3.793 -0.055 -7.250 1.00 0.00 O ATOM 570 CB CYS A 39 2.720 -2.280 -5.293 1.00 0.00 C ATOM 571 SG CYS A 39 4.220 -2.701 -4.355 1.00 0.00 S ATOM 0 H CYS A 39 1.055 -1.521 -6.799 1.00 0.00 H new ATOM 0 HA CYS A 39 2.281 -0.395 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.865 -2.757 -4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.804 -2.706 -6.293 1.00 0.00 H new ATOM 0 HG CYS A 39 4.135 -3.926 -3.928 1.00 0.00 H new ATOM 576 N PRO A 40 4.355 0.769 -5.236 1.00 0.00 N ATOM 577 CA PRO A 40 5.478 1.540 -5.743 1.00 0.00 C ATOM 578 C PRO A 40 6.563 0.601 -6.271 1.00 0.00 C ATOM 579 O PRO A 40 6.962 -0.328 -5.580 1.00 0.00 O ATOM 580 CB PRO A 40 5.983 2.368 -4.556 1.00 0.00 C ATOM 581 CG PRO A 40 5.532 1.566 -3.335 1.00 0.00 C ATOM 582 CD PRO A 40 4.218 0.940 -3.798 1.00 0.00 C ATOM 0 HA PRO A 40 5.193 2.186 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.067 2.484 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.555 3.371 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.264 0.808 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.389 2.205 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.043 -0.016 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.371 1.583 -3.558 1.00 0.00 H new ATOM 590 N LEU A 41 7.071 0.864 -7.482 1.00 0.00 N ATOM 591 CA LEU A 41 8.164 0.102 -8.082 1.00 0.00 C ATOM 592 C LEU A 41 7.811 -1.390 -8.170 1.00 0.00 C ATOM 593 O LEU A 41 8.607 -2.249 -7.780 1.00 0.00 O ATOM 594 CB LEU A 41 9.475 0.333 -7.307 1.00 0.00 C ATOM 595 CG LEU A 41 9.869 1.801 -7.095 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.167 1.839 -6.279 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.071 2.539 -8.423 1.00 0.00 C ATOM 0 H LEU A 41 6.729 1.620 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 41 8.315 0.459 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.389 -0.146 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.284 -0.169 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 41 9.061 2.305 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.465 2.875 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.006 1.353 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.954 1.316 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.349 3.574 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.863 2.053 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.145 2.515 -8.997 1.00 0.00 H new ATOM 609 N CYS A 42 6.620 -1.671 -8.706 1.00 0.00 N ATOM 610 CA CYS A 42 5.978 -2.971 -8.824 1.00 0.00 C ATOM 611 C CYS A 42 4.863 -2.774 -9.865 1.00 0.00 C ATOM 612 O CYS A 42 4.768 -1.692 -10.445 1.00 0.00 O ATOM 613 CB CYS A 42 5.470 -3.355 -7.456 1.00 0.00 C ATOM 614 SG CYS A 42 4.631 -4.968 -7.355 1.00 0.00 S ATOM 0 H CYS A 42 6.038 -0.931 -9.099 1.00 0.00 H new ATOM 0 HA CYS A 42 6.632 -3.779 -9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.311 -3.359 -6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.779 -2.584 -7.114 1.00 0.00 H new ATOM 0 HG CYS A 42 5.239 -5.720 -6.486 1.00 0.00 H new ATOM 619 N GLY A 43 4.050 -3.802 -10.130 1.00 0.00 N ATOM 620 CA GLY A 43 2.933 -3.741 -11.058 1.00 0.00 C ATOM 621 C GLY A 43 1.688 -3.164 -10.383 1.00 0.00 C ATOM 622 O GLY A 43 1.553 -1.949 -10.267 1.00 0.00 O ATOM 0 H GLY A 43 4.159 -4.717 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.203 -3.126 -11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.716 -4.740 -11.436 1.00 0.00 H new ATOM 626 N VAL A 44 0.751 -4.027 -9.972 1.00 0.00 N ATOM 627 CA VAL A 44 -0.509 -3.628 -9.356 1.00 0.00 C ATOM 628 C VAL A 44 -0.853 -4.628 -8.253 1.00 0.00 C ATOM 629 O VAL A 44 -0.357 -5.754 -8.274 1.00 0.00 O ATOM 630 CB VAL A 44 -1.647 -3.538 -10.398 1.00 0.00 C ATOM 631 CG1 VAL A 44 -1.253 -2.722 -11.636 1.00 0.00 C ATOM 632 CG2 VAL A 44 -2.149 -4.912 -10.870 1.00 0.00 C ATOM 0 H VAL A 44 0.854 -5.038 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.398 -2.632 -8.927 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.452 -3.030 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.090 -2.692 -12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.995 -1.707 -11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.394 -3.187 -12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.947 -4.777 -11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.327 -5.462 -11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.529 -5.473 -10.017 1.00 0.00 H new ATOM 642 N GLY A 45 -1.722 -4.228 -7.323 1.00 0.00 N ATOM 643 CA GLY A 45 -2.203 -5.070 -6.241 1.00 0.00 C ATOM 644 C GLY A 45 -2.360 -4.238 -4.972 1.00 0.00 C ATOM 645 O GLY A 45 -1.622 -3.275 -4.772 1.00 0.00 O ATOM 0 H GLY A 45 -2.116 -3.287 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.158 -5.519 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.505 -5.889 -6.067 1.00 0.00 H new ATOM 649 N LYS A 46 -3.323 -4.612 -4.126 1.00 0.00 N ATOM 650 CA LYS A 46 -3.502 -4.100 -2.781 1.00 0.00 C ATOM 651 C LYS A 46 -4.390 -5.089 -2.029 1.00 0.00 C ATOM 652 O LYS A 46 -4.806 -6.089 -2.617 1.00 0.00 O ATOM 653 CB LYS A 46 -4.103 -2.686 -2.812 1.00 0.00 C ATOM 654 CG LYS A 46 -5.576 -2.605 -3.254 1.00 0.00 C ATOM 655 CD LYS A 46 -6.365 -1.450 -2.636 1.00 0.00 C ATOM 656 CE LYS A 46 -6.342 -1.525 -1.106 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.608 -1.047 -0.506 1.00 0.00 N ATOM 0 H LYS A 46 -4.024 -5.309 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.545 -4.009 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.015 -2.250 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.505 -2.070 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.611 -2.511 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.070 -3.542 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.942 -0.500 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.396 -1.479 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.161 -2.554 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.513 -0.927 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.446 -0.793 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.945 -0.212 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.323 -1.800 -0.559 1.00 0.00 H new ATOM 671 N ASP A 47 -4.719 -4.772 -0.772 1.00 0.00 N ATOM 672 CA ASP A 47 -5.716 -5.436 0.073 1.00 0.00 C ATOM 673 C ASP A 47 -5.266 -6.841 0.488 1.00 0.00 C ATOM 674 O ASP A 47 -4.985 -7.096 1.654 1.00 0.00 O ATOM 675 CB ASP A 47 -7.107 -5.414 -0.583 1.00 0.00 C ATOM 676 CG ASP A 47 -8.226 -5.484 0.448 1.00 0.00 C ATOM 677 OD1 ASP A 47 -7.968 -6.006 1.551 1.00 0.00 O ATOM 678 OD2 ASP A 47 -9.315 -4.964 0.125 1.00 0.00 O ATOM 0 H ASP A 47 -4.267 -3.996 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.804 -4.868 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.215 -4.504 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.196 -6.254 -1.272 1.00 0.00 H new ATOM 683 N GLN A 48 -5.102 -7.723 -0.500 1.00 0.00 N ATOM 684 CA GLN A 48 -4.586 -9.081 -0.379 1.00 0.00 C ATOM 685 C GLN A 48 -3.189 -9.143 0.259 1.00 0.00 C ATOM 686 O GLN A 48 -2.801 -10.188 0.778 1.00 0.00 O ATOM 687 CB GLN A 48 -4.608 -9.711 -1.780 1.00 0.00 C ATOM 688 CG GLN A 48 -4.095 -11.158 -1.781 1.00 0.00 C ATOM 689 CD GLN A 48 -4.576 -11.974 -2.979 1.00 0.00 C ATOM 690 OE1 GLN A 48 -5.494 -11.591 -3.697 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.969 -13.135 -3.205 1.00 0.00 N ATOM 0 H GLN A 48 -5.342 -7.490 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.221 -9.647 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.626 -9.689 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.996 -9.111 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.005 -11.149 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.417 -11.650 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.207 -13.439 -2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.265 -13.722 -3.985 1.00 0.00 H new ATOM 700 N PHE A 49 -2.436 -8.041 0.195 1.00 0.00 N ATOM 701 CA PHE A 49 -1.169 -7.827 0.894 1.00 0.00 C ATOM 702 C PHE A 49 -1.304 -8.289 2.353 1.00 0.00 C ATOM 703 O PHE A 49 -2.370 -8.126 2.942 1.00 0.00 O ATOM 704 CB PHE A 49 -0.870 -6.318 0.817 1.00 0.00 C ATOM 705 CG PHE A 49 -0.433 -5.760 -0.538 1.00 0.00 C ATOM 706 CD1 PHE A 49 -0.617 -6.487 -1.733 1.00 0.00 C ATOM 707 CD2 PHE A 49 0.265 -4.532 -0.585 1.00 0.00 C ATOM 708 CE1 PHE A 49 -0.143 -5.981 -2.952 1.00 0.00 C ATOM 709 CE2 PHE A 49 0.731 -4.024 -1.810 1.00 0.00 C ATOM 710 CZ PHE A 49 0.544 -4.762 -2.988 1.00 0.00 C ATOM 0 H PHE A 49 -2.707 -7.238 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.356 -8.397 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.764 -5.780 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.090 -6.091 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.126 -7.439 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.442 -3.980 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.308 -6.533 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.232 -3.068 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.931 -4.389 -3.925 1.00 0.00 H new ATOM 720 N GLU A 50 -0.263 -8.868 2.957 1.00 0.00 N ATOM 721 CA GLU A 50 -0.370 -9.360 4.326 1.00 0.00 C ATOM 722 C GLU A 50 -0.344 -8.170 5.271 1.00 0.00 C ATOM 723 O GLU A 50 0.217 -7.141 4.918 1.00 0.00 O ATOM 724 CB GLU A 50 0.782 -10.313 4.659 1.00 0.00 C ATOM 725 CG GLU A 50 0.798 -11.532 3.734 1.00 0.00 C ATOM 726 CD GLU A 50 1.799 -11.370 2.597 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.827 -10.256 2.027 1.00 0.00 O ATOM 728 OE2 GLU A 50 2.524 -12.354 2.340 1.00 0.00 O ATOM 0 H GLU A 50 0.650 -9.005 2.524 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.303 -9.912 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.730 -9.781 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.693 -10.643 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.046 -12.423 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.199 -11.687 3.321 1.00 0.00 H new ATOM 735 N GLU A 51 -0.906 -8.293 6.473 1.00 0.00 N ATOM 736 CA GLU A 51 -0.810 -7.264 7.479 1.00 0.00 C ATOM 737 C GLU A 51 0.528 -7.435 8.201 1.00 0.00 C ATOM 738 O GLU A 51 0.894 -8.548 8.575 1.00 0.00 O ATOM 739 CB GLU A 51 -2.017 -7.415 8.411 1.00 0.00 C ATOM 740 CG GLU A 51 -1.901 -6.447 9.578 1.00 0.00 C ATOM 741 CD GLU A 51 -3.214 -6.268 10.329 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.061 -5.512 9.805 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.326 -6.836 11.436 1.00 0.00 O ATOM 0 H GLU A 51 -1.438 -9.113 6.766 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.832 -6.257 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.938 -7.224 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.074 -8.438 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.139 -6.808 10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.564 -5.478 9.209 1.00 0.00 H new ATOM 750 N VAL A 52 1.255 -6.335 8.396 1.00 0.00 N ATOM 751 CA VAL A 52 2.462 -6.265 9.177 1.00 0.00 C ATOM 752 C VAL A 52 2.040 -5.846 10.585 1.00 0.00 C ATOM 753 O VAL A 52 1.504 -4.753 10.782 1.00 0.00 O ATOM 754 CB VAL A 52 3.412 -5.268 8.491 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.495 -4.776 9.444 1.00 0.00 C ATOM 756 CG2 VAL A 52 4.060 -5.918 7.273 1.00 0.00 C ATOM 0 H VAL A 52 0.996 -5.436 7.990 1.00 0.00 H new ATOM 0 HA VAL A 52 3.000 -7.210 9.250 1.00 0.00 H new ATOM 0 HB VAL A 52 2.819 -4.408 8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.146 -4.074 8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.031 -4.278 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.083 -5.624 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.731 -5.205 6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.627 -6.795 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.286 -6.220 6.567 1.00 0.00 H new ATOM 766 N GLU A 53 2.274 -6.731 11.556 1.00 0.00 N ATOM 767 CA GLU A 53 1.922 -6.594 12.957 1.00 0.00 C ATOM 768 C GLU A 53 2.756 -5.552 13.726 1.00 0.00 C ATOM 769 O GLU A 53 3.340 -5.836 14.769 1.00 0.00 O ATOM 770 CB GLU A 53 1.962 -7.983 13.591 1.00 0.00 C ATOM 771 CG GLU A 53 3.307 -8.726 13.495 1.00 0.00 C ATOM 772 CD GLU A 53 3.185 -10.132 14.069 1.00 0.00 C ATOM 773 OE1 GLU A 53 3.233 -10.248 15.311 1.00 0.00 O ATOM 774 OE2 GLU A 53 3.026 -11.063 13.250 1.00 0.00 O ATOM 0 H GLU A 53 2.744 -7.616 11.365 1.00 0.00 H new ATOM 0 HA GLU A 53 0.913 -6.186 13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.695 -7.889 14.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.195 -8.598 13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.626 -8.779 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.074 -8.172 14.036 1.00 0.00 H new ATOM 781 N GLU A 54 2.729 -4.323 13.223 1.00 0.00 N ATOM 782 CA GLU A 54 3.069 -3.118 13.969 1.00 0.00 C ATOM 783 C GLU A 54 1.758 -2.516 14.506 1.00 0.00 C ATOM 784 O GLU A 54 0.854 -3.313 14.855 1.00 0.00 O ATOM 785 CB GLU A 54 3.849 -2.140 13.071 1.00 0.00 C ATOM 786 CG GLU A 54 5.174 -2.732 12.551 1.00 0.00 C ATOM 787 CD GLU A 54 6.372 -1.852 12.877 1.00 0.00 C ATOM 788 OE1 GLU A 54 6.608 -0.912 12.084 1.00 0.00 O ATOM 789 OE2 GLU A 54 7.029 -2.115 13.904 1.00 0.00 O ATOM 790 OXT GLU A 54 1.646 -1.273 14.531 1.00 0.00 O ATOM 0 H GLU A 54 2.462 -4.133 12.257 1.00 0.00 H new ATOM 0 HA GLU A 54 3.722 -3.343 14.812 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.226 -1.857 12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.059 -1.229 13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.323 -3.720 12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.109 -2.867 11.471 1.00 0.00 H new