USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 34 SER OG : rot 178:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -128:sc=-0.00495 (180deg=-0.162) USER MOD Set 2.2: A 46 GLN : amide:sc= -4.43! C(o=-4.4!,f=-4.3!) USER MOD Set 3.1: A 14 SER OG : rot -2:sc= 0.792 USER MOD Set 3.2: A 17 GLN : amide:sc= -2.11! C(o=-1.3!,f=-5!) USER MOD Single : A 3 LYS NZ :NH3+ -159:sc= -0.0131 (180deg=-0.542) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -3.77! (180deg=-6.28!) USER MOD Single : A 6 LYS NZ :NH3+ -122:sc= -3.74! (180deg=-9.09!) USER MOD Single : A 8 TYR OH : rot 56:sc= -3.67! USER MOD Single : A 10 ASN : amide:sc= -1.82! C(o=-1.8!,f=-6.3!) USER MOD Single : A 11 TYR OH : rot 96:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.0167 (180deg=-0.278) USER MOD Single : A 20 ASN : amide:sc= -0.0567 K(o=-0.057,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.27) USER MOD Single : A 23 ASN : amide:sc= -10! C(o=-10!,f=-28!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.936 K(o=-0.94,f=-0.18) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -6.84! C(o=-6.8!,f=-12!) USER MOD Single : A 51 TYR OH : rot -170:sc= -0.553! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 70.064 -78.202 67.291 1.00 0.00 N ATOM 2 CA ASP A 2 69.522 -78.290 65.940 1.00 0.00 C ATOM 3 C ASP A 2 70.093 -77.183 65.060 1.00 0.00 C ATOM 4 O ASP A 2 69.480 -76.129 64.895 1.00 0.00 O ATOM 5 CB ASP A 2 67.997 -78.176 65.979 1.00 0.00 C ATOM 6 CG ASP A 2 67.399 -79.410 66.647 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.136 -80.361 66.857 1.00 0.00 O ATOM 8 OD2 ASP A 2 66.215 -79.387 66.941 1.00 0.00 O ATOM 0 HA ASP A 2 69.803 -79.255 65.519 1.00 0.00 H new ATOM 0 HB2 ASP A 2 67.705 -77.279 66.525 1.00 0.00 H new ATOM 0 HB3 ASP A 2 67.606 -78.074 64.967 1.00 0.00 H new ATOM 13 N LYS A 3 71.273 -77.429 64.498 1.00 0.00 N ATOM 14 CA LYS A 3 71.916 -76.446 63.635 1.00 0.00 C ATOM 15 C LYS A 3 71.190 -76.349 62.297 1.00 0.00 C ATOM 16 O LYS A 3 71.383 -75.396 61.543 1.00 0.00 O ATOM 17 CB LYS A 3 73.376 -76.837 63.398 1.00 0.00 C ATOM 18 CG LYS A 3 73.434 -78.131 62.582 1.00 0.00 C ATOM 19 CD LYS A 3 74.879 -78.629 62.516 1.00 0.00 C ATOM 20 CE LYS A 3 74.992 -79.728 61.458 1.00 0.00 C ATOM 21 NZ LYS A 3 73.914 -80.736 61.670 1.00 0.00 N ATOM 0 H LYS A 3 71.799 -78.294 64.624 1.00 0.00 H new ATOM 0 HA LYS A 3 71.874 -75.475 64.128 1.00 0.00 H new ATOM 0 HB2 LYS A 3 73.896 -76.038 62.869 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.886 -76.973 64.352 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.797 -78.889 63.038 1.00 0.00 H new ATOM 0 HG3 LYS A 3 73.052 -77.956 61.576 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.548 -77.804 62.272 1.00 0.00 H new ATOM 0 HD3 LYS A 3 75.187 -79.013 63.489 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.910 -79.297 60.460 1.00 0.00 H new ATOM 0 HE3 LYS A 3 75.969 -80.207 61.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.182 -81.632 61.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 73.781 -80.893 62.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 73.026 -80.388 61.255 1.00 0.00 H new ATOM 35 N CYS A 4 70.355 -77.342 62.011 1.00 0.00 N ATOM 36 CA CYS A 4 69.602 -77.358 60.761 1.00 0.00 C ATOM 37 C CYS A 4 68.450 -76.370 60.777 1.00 0.00 C ATOM 38 O CYS A 4 67.365 -76.768 60.350 1.00 0.00 O ATOM 39 CB CYS A 4 68.972 -78.735 60.548 1.00 0.00 C ATOM 40 SG CYS A 4 70.232 -80.016 60.758 1.00 0.00 S ATOM 0 H CYS A 4 70.183 -78.141 62.622 1.00 0.00 H new ATOM 0 HA CYS A 4 70.310 -77.100 59.974 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.160 -78.889 61.259 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.538 -78.797 59.550 1.00 0.00 H new ATOM 45 N LYS A 5 68.629 -75.152 61.275 1.00 0.00 N ATOM 46 CA LYS A 5 67.533 -74.191 61.333 1.00 0.00 C ATOM 47 C LYS A 5 68.013 -72.805 60.919 1.00 0.00 C ATOM 48 O LYS A 5 69.092 -72.367 61.317 1.00 0.00 O ATOM 49 CB LYS A 5 66.962 -74.135 62.751 1.00 0.00 C ATOM 50 CG LYS A 5 66.097 -75.372 63.004 1.00 0.00 C ATOM 51 CD LYS A 5 66.123 -75.719 64.493 1.00 0.00 C ATOM 52 CE LYS A 5 65.419 -74.617 65.287 1.00 0.00 C ATOM 53 NZ LYS A 5 66.272 -73.395 65.307 1.00 0.00 N ATOM 0 H LYS A 5 69.516 -74.808 61.642 1.00 0.00 H new ATOM 0 HA LYS A 5 66.755 -74.514 60.642 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.772 -74.090 63.479 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.368 -73.230 62.879 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.073 -75.184 62.682 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.467 -76.213 62.418 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.629 -76.676 64.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 67.153 -75.826 64.834 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.452 -74.391 64.837 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.226 -74.955 66.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.151 -72.902 66.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.269 -73.666 65.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.992 -72.763 64.530 1.00 0.00 H new ATOM 67 N LYS A 6 67.204 -72.119 60.118 1.00 0.00 N ATOM 68 CA LYS A 6 67.538 -70.765 59.688 1.00 0.00 C ATOM 69 C LYS A 6 66.332 -69.843 59.834 1.00 0.00 C ATOM 70 O LYS A 6 65.306 -70.041 59.184 1.00 0.00 O ATOM 71 CB LYS A 6 67.998 -70.779 58.230 1.00 0.00 C ATOM 72 CG LYS A 6 69.451 -71.254 58.155 1.00 0.00 C ATOM 73 CD LYS A 6 69.729 -71.830 56.766 1.00 0.00 C ATOM 74 CE LYS A 6 69.354 -70.798 55.701 1.00 0.00 C ATOM 75 NZ LYS A 6 67.896 -70.895 55.407 1.00 0.00 N ATOM 0 H LYS A 6 66.319 -72.474 59.756 1.00 0.00 H new ATOM 0 HA LYS A 6 68.344 -70.392 60.320 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.359 -71.438 57.643 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.908 -69.781 57.800 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.127 -70.423 58.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.637 -72.010 58.918 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.782 -72.096 56.675 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.155 -72.745 56.619 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.600 -69.795 56.049 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.931 -70.971 54.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.758 -71.092 54.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 67.479 -71.664 55.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.432 -69.997 55.651 1.00 0.00 H new ATOM 89 N VAL A 7 66.463 -68.836 60.691 1.00 0.00 N ATOM 90 CA VAL A 7 65.357 -67.921 60.952 1.00 0.00 C ATOM 91 C VAL A 7 65.165 -66.966 59.780 1.00 0.00 C ATOM 92 O VAL A 7 66.133 -66.444 59.226 1.00 0.00 O ATOM 93 CB VAL A 7 65.632 -67.121 62.227 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.413 -66.260 62.562 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.909 -68.083 63.383 1.00 0.00 C ATOM 0 H VAL A 7 67.316 -68.633 61.213 1.00 0.00 H new ATOM 0 HA VAL A 7 64.447 -68.507 61.081 1.00 0.00 H new ATOM 0 HB VAL A 7 66.499 -66.479 62.073 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.609 -65.690 63.470 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.215 -65.574 61.739 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.546 -66.902 62.716 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.105 -67.513 64.291 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.042 -68.725 63.537 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.778 -68.697 63.145 1.00 0.00 H new ATOM 105 N TYR A 8 63.909 -66.741 59.405 1.00 0.00 N ATOM 106 CA TYR A 8 63.600 -65.812 58.324 1.00 0.00 C ATOM 107 C TYR A 8 63.465 -64.391 58.861 1.00 0.00 C ATOM 108 O TYR A 8 62.668 -64.130 59.763 1.00 0.00 O ATOM 109 CB TYR A 8 62.299 -66.226 57.636 1.00 0.00 C ATOM 110 CG TYR A 8 62.616 -67.070 56.425 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.489 -68.158 56.538 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.037 -66.762 55.187 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.783 -68.939 55.414 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.331 -67.543 54.063 1.00 0.00 C ATOM 115 CZ TYR A 8 63.204 -68.632 54.177 1.00 0.00 C ATOM 116 OH TYR A 8 63.494 -69.402 53.069 1.00 0.00 O ATOM 0 H TYR A 8 63.095 -67.185 59.830 1.00 0.00 H new ATOM 0 HA TYR A 8 64.416 -65.839 57.602 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.671 -66.786 58.329 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.735 -65.342 57.339 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.936 -68.395 57.492 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.364 -65.922 55.100 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.457 -69.779 55.501 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.885 -67.306 53.109 1.00 0.00 H new ATOM 0 HH TYR A 8 63.287 -70.341 53.260 1.00 0.00 H new ATOM 126 N GLU A 9 64.249 -63.475 58.301 1.00 0.00 N ATOM 127 CA GLU A 9 64.203 -62.080 58.727 1.00 0.00 C ATOM 128 C GLU A 9 63.496 -61.223 57.682 1.00 0.00 C ATOM 129 O GLU A 9 63.750 -61.351 56.485 1.00 0.00 O ATOM 130 CB GLU A 9 65.623 -61.554 58.945 1.00 0.00 C ATOM 131 CG GLU A 9 66.264 -62.285 60.126 1.00 0.00 C ATOM 132 CD GLU A 9 65.555 -61.904 61.421 1.00 0.00 C ATOM 133 OE1 GLU A 9 64.842 -60.915 61.414 1.00 0.00 O ATOM 134 OE2 GLU A 9 65.737 -62.607 62.402 1.00 0.00 O ATOM 0 H GLU A 9 64.919 -63.671 57.557 1.00 0.00 H new ATOM 0 HA GLU A 9 63.647 -62.024 59.663 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.219 -61.703 58.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.599 -60.481 59.138 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.205 -63.363 59.973 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.322 -62.030 60.192 1.00 0.00 H new ATOM 141 N ASN A 10 62.609 -60.348 58.144 1.00 0.00 N ATOM 142 CA ASN A 10 61.884 -59.461 57.242 1.00 0.00 C ATOM 143 C ASN A 10 60.928 -60.258 56.359 1.00 0.00 C ATOM 144 O ASN A 10 61.011 -60.204 55.132 1.00 0.00 O ATOM 145 CB ASN A 10 62.870 -58.690 56.365 1.00 0.00 C ATOM 146 CG ASN A 10 64.077 -58.259 57.192 1.00 0.00 C ATOM 147 OD1 ASN A 10 64.102 -58.458 58.406 1.00 0.00 O ATOM 148 ND2 ASN A 10 65.086 -57.677 56.602 1.00 0.00 N ATOM 0 H ASN A 10 62.376 -60.234 59.131 1.00 0.00 H new ATOM 0 HA ASN A 10 61.305 -58.758 57.841 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.194 -59.314 55.532 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.381 -57.815 55.937 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.897 -57.386 57.148 1.00 0.00 H new ATOM 0 HD22 ASN A 10 65.063 -57.513 55.596 1.00 0.00 H new ATOM 155 N TYR A 11 60.022 -60.996 56.992 1.00 0.00 N ATOM 156 CA TYR A 11 59.038 -61.778 56.254 1.00 0.00 C ATOM 157 C TYR A 11 57.636 -61.527 56.801 1.00 0.00 C ATOM 158 O TYR A 11 57.426 -61.501 58.014 1.00 0.00 O ATOM 159 CB TYR A 11 59.371 -63.268 56.358 1.00 0.00 C ATOM 160 CG TYR A 11 60.238 -63.673 55.190 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.608 -63.385 55.204 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.672 -64.336 54.095 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.412 -63.761 54.121 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.476 -64.711 53.012 1.00 0.00 C ATOM 165 CZ TYR A 11 61.846 -64.422 53.024 1.00 0.00 C ATOM 166 OH TYR A 11 62.639 -64.793 51.957 1.00 0.00 O ATOM 0 H TYR A 11 59.949 -61.069 58.007 1.00 0.00 H new ATOM 0 HA TYR A 11 59.067 -61.472 55.208 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.888 -63.471 57.296 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.454 -63.857 56.365 1.00 0.00 H new ATOM 0 HD1 TYR A 11 62.044 -62.873 56.049 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.615 -64.558 54.086 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.469 -63.541 54.132 1.00 0.00 H new ATOM 0 HE2 TYR A 11 60.040 -65.223 52.167 1.00 0.00 H new ATOM 0 HH TYR A 11 62.913 -65.728 52.062 1.00 0.00 H new ATOM 176 N PRO A 12 56.684 -61.344 55.928 1.00 0.00 N ATOM 177 CA PRO A 12 55.266 -61.100 56.319 1.00 0.00 C ATOM 178 C PRO A 12 54.794 -62.062 57.405 1.00 0.00 C ATOM 179 O PRO A 12 54.870 -63.280 57.245 1.00 0.00 O ATOM 180 CB PRO A 12 54.492 -61.332 55.019 1.00 0.00 C ATOM 181 CG PRO A 12 55.463 -61.039 53.923 1.00 0.00 C ATOM 182 CD PRO A 12 56.858 -61.350 54.468 1.00 0.00 C ATOM 0 HA PRO A 12 55.123 -60.105 56.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.127 -62.357 54.957 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.621 -60.679 54.958 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.248 -61.647 53.044 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.393 -59.996 53.614 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.218 -62.316 54.114 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.585 -60.603 54.150 1.00 0.00 H new ATOM 190 N VAL A 13 54.307 -61.505 58.510 1.00 0.00 N ATOM 191 CA VAL A 13 53.827 -62.323 59.617 1.00 0.00 C ATOM 192 C VAL A 13 52.451 -62.901 59.299 1.00 0.00 C ATOM 193 O VAL A 13 52.205 -64.090 59.502 1.00 0.00 O ATOM 194 CB VAL A 13 53.744 -61.480 60.891 1.00 0.00 C ATOM 195 CG1 VAL A 13 53.531 -62.397 62.098 1.00 0.00 C ATOM 196 CG2 VAL A 13 55.049 -60.700 61.069 1.00 0.00 C ATOM 0 H VAL A 13 54.235 -60.499 58.662 1.00 0.00 H new ATOM 0 HA VAL A 13 54.528 -63.144 59.768 1.00 0.00 H new ATOM 0 HB VAL A 13 52.909 -60.783 60.813 1.00 0.00 H new ATOM 0 HG11 VAL A 13 53.472 -61.796 63.006 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.603 -62.955 61.972 1.00 0.00 H new ATOM 0 HG13 VAL A 13 54.366 -63.093 62.178 1.00 0.00 H new ATOM 0 HG21 VAL A 13 54.992 -60.098 61.976 1.00 0.00 H new ATOM 0 HG22 VAL A 13 55.882 -61.398 61.148 1.00 0.00 H new ATOM 0 HG23 VAL A 13 55.203 -60.047 60.210 1.00 0.00 H new ATOM 206 N SER A 14 51.559 -62.052 58.799 1.00 0.00 N ATOM 207 CA SER A 14 50.202 -62.484 58.484 1.00 0.00 C ATOM 208 C SER A 14 50.226 -63.758 57.644 1.00 0.00 C ATOM 209 O SER A 14 49.382 -64.637 57.810 1.00 0.00 O ATOM 210 CB SER A 14 49.468 -61.382 57.720 1.00 0.00 C ATOM 211 OG SER A 14 48.106 -61.750 57.557 1.00 0.00 O ATOM 0 H SER A 14 51.749 -61.069 58.604 1.00 0.00 H new ATOM 0 HA SER A 14 49.680 -62.688 59.419 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.539 -60.439 58.262 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.933 -61.227 56.747 1.00 0.00 H new ATOM 0 HG SER A 14 47.958 -62.637 57.947 1.00 0.00 H new ATOM 217 N LYS A 15 51.201 -63.848 56.745 1.00 0.00 N ATOM 218 CA LYS A 15 51.324 -65.020 55.885 1.00 0.00 C ATOM 219 C LYS A 15 51.673 -66.255 56.709 1.00 0.00 C ATOM 220 O LYS A 15 51.289 -67.372 56.364 1.00 0.00 O ATOM 221 CB LYS A 15 52.410 -64.781 54.833 1.00 0.00 C ATOM 222 CG LYS A 15 51.949 -63.697 53.858 1.00 0.00 C ATOM 223 CD LYS A 15 52.896 -63.653 52.658 1.00 0.00 C ATOM 224 CE LYS A 15 52.570 -62.434 51.793 1.00 0.00 C ATOM 225 NZ LYS A 15 51.183 -62.559 51.262 1.00 0.00 N ATOM 0 H LYS A 15 51.911 -63.131 56.594 1.00 0.00 H new ATOM 0 HA LYS A 15 50.368 -65.188 55.389 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.339 -64.478 55.317 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.618 -65.705 54.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.932 -63.902 53.524 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.932 -62.728 54.357 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.930 -63.604 52.999 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.798 -64.566 52.070 1.00 0.00 H new ATOM 0 HE2 LYS A 15 52.665 -61.521 52.381 1.00 0.00 H new ATOM 0 HE3 LYS A 15 53.281 -62.358 50.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 51.035 -61.858 50.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 51.043 -63.515 50.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 50.501 -62.391 52.029 1.00 0.00 H new ATOM 239 N CYS A 16 52.403 -66.044 57.799 1.00 0.00 N ATOM 240 CA CYS A 16 52.797 -67.148 58.666 1.00 0.00 C ATOM 241 C CYS A 16 51.572 -67.780 59.320 1.00 0.00 C ATOM 242 O CYS A 16 51.661 -68.847 59.928 1.00 0.00 O ATOM 243 CB CYS A 16 53.753 -66.646 59.750 1.00 0.00 C ATOM 244 SG CYS A 16 55.247 -67.668 59.757 1.00 0.00 S ATOM 0 H CYS A 16 52.731 -65.127 58.101 1.00 0.00 H new ATOM 0 HA CYS A 16 53.300 -67.900 58.058 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.013 -65.604 59.566 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.268 -66.686 60.725 1.00 0.00 H new ATOM 249 N GLN A 17 50.429 -67.115 59.189 1.00 0.00 N ATOM 250 CA GLN A 17 49.190 -67.623 59.766 1.00 0.00 C ATOM 251 C GLN A 17 48.790 -68.937 59.103 1.00 0.00 C ATOM 252 O GLN A 17 47.804 -69.564 59.490 1.00 0.00 O ATOM 253 CB GLN A 17 48.070 -66.596 59.587 1.00 0.00 C ATOM 254 CG GLN A 17 47.602 -66.601 58.130 1.00 0.00 C ATOM 255 CD GLN A 17 46.824 -65.324 57.828 1.00 0.00 C ATOM 256 OE1 GLN A 17 47.123 -64.268 58.386 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.838 -65.359 56.975 1.00 0.00 N ATOM 0 H GLN A 17 50.335 -66.229 58.692 1.00 0.00 H new ATOM 0 HA GLN A 17 49.352 -67.800 60.829 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.237 -66.832 60.249 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.425 -65.603 59.863 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.461 -66.680 57.464 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.974 -67.472 57.944 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.593 -66.236 56.514 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.312 -64.510 56.768 1.00 0.00 H new ATOM 266 N LEU A 18 49.565 -69.347 58.103 1.00 0.00 N ATOM 267 CA LEU A 18 49.291 -70.597 57.403 1.00 0.00 C ATOM 268 C LEU A 18 50.552 -71.453 57.325 1.00 0.00 C ATOM 269 O LEU A 18 51.385 -71.268 56.438 1.00 0.00 O ATOM 270 CB LEU A 18 48.784 -70.304 55.990 1.00 0.00 C ATOM 271 CG LEU A 18 47.281 -70.021 56.037 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.895 -69.108 54.872 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.512 -71.339 55.927 1.00 0.00 C ATOM 0 H LEU A 18 50.380 -68.837 57.762 1.00 0.00 H new ATOM 0 HA LEU A 18 48.527 -71.143 57.957 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.313 -69.448 55.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.985 -71.153 55.336 1.00 0.00 H new ATOM 0 HG LEU A 18 47.033 -69.531 56.979 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.824 -68.907 54.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.443 -68.169 54.949 1.00 0.00 H new ATOM 0 HD13 LEU A 18 47.142 -69.596 53.930 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.441 -71.139 55.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.761 -71.828 54.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.786 -71.990 56.757 1.00 0.00 H new ATOM 285 N ALA A 19 50.685 -72.388 58.260 1.00 0.00 N ATOM 286 CA ALA A 19 51.850 -73.265 58.290 1.00 0.00 C ATOM 287 C ALA A 19 52.154 -73.800 56.894 1.00 0.00 C ATOM 288 O ALA A 19 53.212 -74.385 56.659 1.00 0.00 O ATOM 289 CB ALA A 19 51.598 -74.436 59.242 1.00 0.00 C ATOM 0 H ALA A 19 50.006 -72.557 59.002 1.00 0.00 H new ATOM 0 HA ALA A 19 52.706 -72.689 58.641 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.473 -75.086 59.259 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.410 -74.055 60.246 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.731 -75.002 58.901 1.00 0.00 H new ATOM 295 N ASN A 20 51.221 -73.596 55.970 1.00 0.00 N ATOM 296 CA ASN A 20 51.404 -74.056 54.598 1.00 0.00 C ATOM 297 C ASN A 20 52.204 -73.036 53.793 1.00 0.00 C ATOM 298 O ASN A 20 53.078 -73.401 53.007 1.00 0.00 O ATOM 299 CB ASN A 20 50.043 -74.278 53.935 1.00 0.00 C ATOM 300 CG ASN A 20 49.376 -75.519 54.517 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.041 -76.351 55.134 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.093 -75.695 54.357 1.00 0.00 N ATOM 0 H ASN A 20 50.337 -73.119 56.144 1.00 0.00 H new ATOM 0 HA ASN A 20 51.954 -74.997 54.621 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.407 -73.407 54.090 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.168 -74.393 52.858 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.640 -76.523 54.743 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.543 -75.005 53.845 1.00 0.00 H new ATOM 309 N GLN A 21 51.898 -71.759 53.994 1.00 0.00 N ATOM 310 CA GLN A 21 52.604 -70.695 53.290 1.00 0.00 C ATOM 311 C GLN A 21 54.015 -70.530 53.845 1.00 0.00 C ATOM 312 O GLN A 21 54.977 -70.389 53.090 1.00 0.00 O ATOM 313 CB GLN A 21 51.840 -69.377 53.435 1.00 0.00 C ATOM 314 CG GLN A 21 50.565 -69.431 52.592 1.00 0.00 C ATOM 315 CD GLN A 21 50.919 -69.414 51.109 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.533 -68.462 50.627 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.568 -70.418 50.352 1.00 0.00 N ATOM 0 H GLN A 21 51.172 -71.437 54.634 1.00 0.00 H new ATOM 0 HA GLN A 21 52.669 -70.964 52.236 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.590 -69.203 54.481 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.466 -68.544 53.114 1.00 0.00 H new ATOM 0 HG2 GLN A 21 50.000 -70.333 52.829 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.925 -68.582 52.831 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.059 -71.206 50.753 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.802 -70.415 49.359 1.00 0.00 H new ATOM 326 N CYS A 22 54.131 -70.547 55.169 1.00 0.00 N ATOM 327 CA CYS A 22 55.428 -70.382 55.815 1.00 0.00 C ATOM 328 C CYS A 22 56.426 -71.408 55.290 1.00 0.00 C ATOM 329 O CYS A 22 57.472 -71.050 54.747 1.00 0.00 O ATOM 330 CB CYS A 22 55.279 -70.542 57.330 1.00 0.00 C ATOM 331 SG CYS A 22 56.914 -70.518 58.103 1.00 0.00 S ATOM 0 H CYS A 22 53.349 -70.672 55.811 1.00 0.00 H new ATOM 0 HA CYS A 22 55.800 -69.383 55.588 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.663 -69.738 57.732 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.770 -71.478 57.559 1.00 0.00 H new ATOM 336 N ASN A 23 56.099 -72.685 55.456 1.00 0.00 N ATOM 337 CA ASN A 23 56.990 -73.756 55.023 1.00 0.00 C ATOM 338 C ASN A 23 57.248 -73.667 53.522 1.00 0.00 C ATOM 339 O ASN A 23 58.384 -73.810 53.069 1.00 0.00 O ATOM 340 CB ASN A 23 56.371 -75.115 55.356 1.00 0.00 C ATOM 341 CG ASN A 23 54.961 -75.201 54.783 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.282 -74.183 54.647 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.476 -76.363 54.438 1.00 0.00 N ATOM 0 H ASN A 23 55.230 -73.003 55.884 1.00 0.00 H new ATOM 0 HA ASN A 23 57.939 -73.649 55.549 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.988 -75.915 54.947 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.342 -75.256 56.436 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.533 -76.429 54.055 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.040 -77.205 54.551 1.00 0.00 H new ATOM 350 N TYR A 24 56.188 -73.431 52.756 1.00 0.00 N ATOM 351 CA TYR A 24 56.316 -73.312 51.308 1.00 0.00 C ATOM 352 C TYR A 24 57.257 -72.169 50.943 1.00 0.00 C ATOM 353 O TYR A 24 58.257 -72.371 50.253 1.00 0.00 O ATOM 354 CB TYR A 24 54.942 -73.063 50.682 1.00 0.00 C ATOM 355 CG TYR A 24 54.320 -74.382 50.290 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.103 -75.370 51.257 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.960 -74.617 48.957 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.527 -76.592 50.893 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.384 -75.839 48.593 1.00 0.00 C ATOM 360 CZ TYR A 24 53.168 -76.827 49.561 1.00 0.00 C ATOM 361 OH TYR A 24 52.599 -78.033 49.202 1.00 0.00 O ATOM 0 H TYR A 24 55.238 -73.319 53.110 1.00 0.00 H new ATOM 0 HA TYR A 24 56.729 -74.244 50.922 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.298 -72.541 51.389 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.040 -72.421 49.807 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.380 -75.189 52.285 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.127 -73.855 48.210 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.359 -77.354 51.640 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.106 -76.020 47.565 1.00 0.00 H new ATOM 0 HH TYR A 24 52.409 -78.032 48.241 1.00 0.00 H new ATOM 371 N ASP A 25 56.931 -70.968 51.409 1.00 0.00 N ATOM 372 CA ASP A 25 57.748 -69.795 51.113 1.00 0.00 C ATOM 373 C ASP A 25 59.204 -70.042 51.496 1.00 0.00 C ATOM 374 O ASP A 25 60.120 -69.674 50.760 1.00 0.00 O ATOM 375 CB ASP A 25 57.215 -68.583 51.878 1.00 0.00 C ATOM 376 CG ASP A 25 55.839 -68.196 51.349 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.471 -68.688 50.296 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.173 -67.411 52.006 1.00 0.00 O ATOM 0 H ASP A 25 56.113 -70.781 51.989 1.00 0.00 H new ATOM 0 HA ASP A 25 57.696 -69.601 50.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.153 -68.813 52.942 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.903 -67.744 51.772 1.00 0.00 H new ATOM 383 N CYS A 26 59.410 -70.664 52.652 1.00 0.00 N ATOM 384 CA CYS A 26 60.759 -70.949 53.124 1.00 0.00 C ATOM 385 C CYS A 26 61.555 -71.702 52.063 1.00 0.00 C ATOM 386 O CYS A 26 62.680 -71.329 51.735 1.00 0.00 O ATOM 387 CB CYS A 26 60.700 -71.781 54.406 1.00 0.00 C ATOM 388 SG CYS A 26 62.031 -71.272 55.520 1.00 0.00 S ATOM 0 H CYS A 26 58.666 -70.978 53.275 1.00 0.00 H new ATOM 0 HA CYS A 26 61.257 -70.001 53.328 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.734 -71.649 54.893 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.796 -72.841 54.169 1.00 0.00 H new ATOM 393 N LYS A 27 60.962 -72.766 51.531 1.00 0.00 N ATOM 394 CA LYS A 27 61.627 -73.568 50.510 1.00 0.00 C ATOM 395 C LYS A 27 61.814 -72.762 49.229 1.00 0.00 C ATOM 396 O LYS A 27 62.913 -72.702 48.677 1.00 0.00 O ATOM 397 CB LYS A 27 60.801 -74.821 50.211 1.00 0.00 C ATOM 398 CG LYS A 27 60.569 -75.601 51.506 1.00 0.00 C ATOM 399 CD LYS A 27 59.547 -76.712 51.257 1.00 0.00 C ATOM 400 CE LYS A 27 60.126 -77.728 50.271 1.00 0.00 C ATOM 401 NZ LYS A 27 59.380 -79.012 50.386 1.00 0.00 N ATOM 0 H LYS A 27 60.030 -73.091 51.787 1.00 0.00 H new ATOM 0 HA LYS A 27 62.607 -73.859 50.887 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.846 -74.542 49.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.320 -75.447 49.485 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.508 -76.028 51.859 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.210 -74.931 52.287 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.294 -77.204 52.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.624 -76.289 50.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.056 -77.344 49.253 1.00 0.00 H new ATOM 0 HE3 LYS A 27 61.184 -77.890 50.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.773 -79.703 49.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.469 -79.380 51.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.376 -78.851 50.168 1.00 0.00 H new ATOM 415 N LEU A 28 60.735 -72.143 48.761 1.00 0.00 N ATOM 416 CA LEU A 28 60.786 -71.365 47.529 1.00 0.00 C ATOM 417 C LEU A 28 61.882 -70.307 47.607 1.00 0.00 C ATOM 418 O LEU A 28 62.443 -69.906 46.588 1.00 0.00 O ATOM 419 CB LEU A 28 59.438 -70.686 47.283 1.00 0.00 C ATOM 420 CG LEU A 28 58.354 -71.752 47.112 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.978 -71.084 47.089 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.579 -72.499 45.796 1.00 0.00 C ATOM 0 H LEU A 28 59.821 -72.165 49.213 1.00 0.00 H new ATOM 0 HA LEU A 28 61.008 -72.042 46.704 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.191 -70.031 48.119 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.491 -70.060 46.392 1.00 0.00 H new ATOM 0 HG LEU A 28 58.402 -72.455 47.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.206 -71.844 46.967 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.817 -70.550 48.026 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.929 -70.381 46.258 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.807 -73.259 45.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.531 -71.795 44.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.559 -72.976 45.811 1.00 0.00 H new ATOM 434 N ASP A 29 62.183 -69.860 48.821 1.00 0.00 N ATOM 435 CA ASP A 29 63.186 -68.820 49.014 1.00 0.00 C ATOM 436 C ASP A 29 64.549 -69.437 49.315 1.00 0.00 C ATOM 437 O ASP A 29 65.544 -69.110 48.668 1.00 0.00 O ATOM 438 CB ASP A 29 62.773 -67.904 50.168 1.00 0.00 C ATOM 439 CG ASP A 29 61.452 -67.215 49.839 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.203 -66.985 48.668 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.710 -66.930 50.764 1.00 0.00 O ATOM 0 H ASP A 29 61.750 -70.199 49.680 1.00 0.00 H new ATOM 0 HA ASP A 29 63.259 -68.238 48.095 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.672 -68.484 51.085 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.547 -67.158 50.346 1.00 0.00 H new ATOM 446 N LYS A 30 64.586 -70.328 50.300 1.00 0.00 N ATOM 447 CA LYS A 30 65.844 -70.924 50.730 1.00 0.00 C ATOM 448 C LYS A 30 65.929 -72.381 50.283 1.00 0.00 C ATOM 449 O LYS A 30 67.008 -72.973 50.264 1.00 0.00 O ATOM 450 CB LYS A 30 65.966 -70.848 52.253 1.00 0.00 C ATOM 451 CG LYS A 30 66.048 -69.383 52.685 1.00 0.00 C ATOM 452 CD LYS A 30 67.503 -68.913 52.626 1.00 0.00 C ATOM 453 CE LYS A 30 67.607 -67.499 53.201 1.00 0.00 C ATOM 454 NZ LYS A 30 69.038 -67.178 53.472 1.00 0.00 N ATOM 0 H LYS A 30 63.765 -70.651 50.812 1.00 0.00 H new ATOM 0 HA LYS A 30 66.662 -70.367 50.272 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.108 -71.329 52.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.854 -71.386 52.585 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.429 -68.766 52.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.659 -69.269 53.697 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.139 -69.594 53.191 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.859 -68.925 51.596 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.188 -66.778 52.500 1.00 0.00 H new ATOM 0 HE3 LYS A 30 67.026 -67.425 54.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.110 -66.217 53.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.423 -67.860 54.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.580 -67.233 52.586 1.00 0.00 H new ATOM 468 N HIS A 31 64.784 -72.952 49.925 1.00 0.00 N ATOM 469 CA HIS A 31 64.741 -74.337 49.471 1.00 0.00 C ATOM 470 C HIS A 31 65.107 -75.286 50.608 1.00 0.00 C ATOM 471 O HIS A 31 65.961 -76.157 50.451 1.00 0.00 O ATOM 472 CB HIS A 31 65.715 -74.536 48.307 1.00 0.00 C ATOM 473 CG HIS A 31 65.417 -73.532 47.228 1.00 0.00 C ATOM 474 ND1 HIS A 31 64.733 -73.871 46.070 1.00 0.00 N ATOM 475 CD2 HIS A 31 65.702 -72.193 47.115 1.00 0.00 C ATOM 476 CE1 HIS A 31 64.632 -72.759 45.319 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.206 -71.707 45.909 1.00 0.00 N ATOM 0 H HIS A 31 63.879 -72.481 49.940 1.00 0.00 H new ATOM 0 HA HIS A 31 63.727 -74.558 49.139 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.742 -74.419 48.654 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.625 -75.548 47.912 1.00 0.00 H new ATOM 0 HD2 HIS A 31 66.231 -71.606 47.851 1.00 0.00 H new ATOM 0 HE1 HIS A 31 64.146 -72.722 44.355 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.267 -70.753 45.553 1.00 0.00 H new ATOM 485 N ALA A 32 64.452 -75.111 51.751 1.00 0.00 N ATOM 486 CA ALA A 32 64.691 -75.980 52.897 1.00 0.00 C ATOM 487 C ALA A 32 63.775 -77.197 52.845 1.00 0.00 C ATOM 488 O ALA A 32 63.196 -77.506 51.803 1.00 0.00 O ATOM 489 CB ALA A 32 64.448 -75.211 54.197 1.00 0.00 C ATOM 0 H ALA A 32 63.757 -74.381 51.908 1.00 0.00 H new ATOM 0 HA ALA A 32 65.727 -76.317 52.864 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.629 -75.868 55.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.125 -74.358 54.247 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.417 -74.858 54.224 1.00 0.00 H new ATOM 495 N ARG A 33 63.648 -77.886 53.975 1.00 0.00 N ATOM 496 CA ARG A 33 62.777 -79.053 54.052 1.00 0.00 C ATOM 497 C ARG A 33 61.336 -78.631 54.320 1.00 0.00 C ATOM 498 O ARG A 33 60.422 -79.014 53.590 1.00 0.00 O ATOM 499 CB ARG A 33 63.252 -79.986 55.168 1.00 0.00 C ATOM 500 CG ARG A 33 64.765 -80.185 55.058 1.00 0.00 C ATOM 501 CD ARG A 33 65.060 -81.325 54.081 1.00 0.00 C ATOM 502 NE ARG A 33 66.465 -81.301 53.688 1.00 0.00 N ATOM 503 CZ ARG A 33 66.908 -80.446 52.773 1.00 0.00 C ATOM 504 NH1 ARG A 33 66.082 -79.608 52.209 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.170 -80.443 52.440 1.00 0.00 N ATOM 0 H ARG A 33 64.133 -77.659 54.843 1.00 0.00 H new ATOM 0 HA ARG A 33 62.819 -79.577 53.097 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.000 -79.564 56.141 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.742 -80.947 55.095 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.239 -79.266 54.715 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.185 -80.414 56.038 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.821 -82.282 54.545 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.426 -81.231 53.199 1.00 0.00 H new ATOM 0 HE ARG A 33 67.118 -81.952 54.123 1.00 0.00 H new ATOM 0 HH11 ARG A 33 65.096 -79.609 52.471 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.422 -78.951 51.506 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.816 -81.097 52.882 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.511 -79.787 51.737 1.00 0.00 H new ATOM 519 N SER A 34 61.141 -77.839 55.369 1.00 0.00 N ATOM 520 CA SER A 34 59.808 -77.352 55.708 1.00 0.00 C ATOM 521 C SER A 34 59.821 -75.837 55.889 1.00 0.00 C ATOM 522 O SER A 34 59.404 -75.093 55.001 1.00 0.00 O ATOM 523 CB SER A 34 59.321 -78.016 56.996 1.00 0.00 C ATOM 524 OG SER A 34 59.000 -79.376 56.730 1.00 0.00 O ATOM 0 H SER A 34 61.882 -77.523 55.995 1.00 0.00 H new ATOM 0 HA SER A 34 59.132 -77.604 54.891 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.092 -77.956 57.764 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.446 -77.492 57.381 1.00 0.00 H new ATOM 0 HG SER A 34 58.714 -79.813 57.559 1.00 0.00 H new ATOM 530 N GLY A 35 60.300 -75.388 57.044 1.00 0.00 N ATOM 531 CA GLY A 35 60.385 -73.958 57.319 1.00 0.00 C ATOM 532 C GLY A 35 59.079 -73.439 57.911 1.00 0.00 C ATOM 533 O GLY A 35 58.473 -72.507 57.382 1.00 0.00 O ATOM 0 H GLY A 35 60.633 -75.987 57.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.205 -73.765 58.011 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.611 -73.419 56.399 1.00 0.00 H new ATOM 537 N GLU A 36 58.649 -74.050 59.010 1.00 0.00 N ATOM 538 CA GLU A 36 57.405 -73.652 59.658 1.00 0.00 C ATOM 539 C GLU A 36 57.594 -72.352 60.434 1.00 0.00 C ATOM 540 O GLU A 36 58.710 -71.843 60.549 1.00 0.00 O ATOM 541 CB GLU A 36 56.937 -74.753 60.611 1.00 0.00 C ATOM 542 CG GLU A 36 56.651 -76.030 59.816 1.00 0.00 C ATOM 543 CD GLU A 36 55.450 -75.815 58.901 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.735 -74.849 59.110 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.263 -76.621 58.004 1.00 0.00 O ATOM 0 H GLU A 36 59.140 -74.818 59.468 1.00 0.00 H new ATOM 0 HA GLU A 36 56.652 -73.494 58.886 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.701 -74.945 61.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.040 -74.433 61.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.525 -76.304 59.225 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.456 -76.857 60.498 1.00 0.00 H new ATOM 552 N CYS A 37 56.498 -71.821 60.965 1.00 0.00 N ATOM 553 CA CYS A 37 56.552 -70.567 61.709 1.00 0.00 C ATOM 554 C CYS A 37 57.005 -70.815 63.145 1.00 0.00 C ATOM 555 O CYS A 37 56.754 -71.880 63.709 1.00 0.00 O ATOM 556 CB CYS A 37 55.195 -69.890 61.809 1.00 0.00 C ATOM 557 SG CYS A 37 54.569 -69.531 60.149 1.00 0.00 S ATOM 0 H CYS A 37 55.568 -72.235 60.895 1.00 0.00 H new ATOM 0 HA CYS A 37 57.249 -69.932 61.162 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.495 -70.534 62.341 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.279 -68.968 62.384 1.00 0.00 H new ATOM 562 N PHE A 38 57.674 -69.827 63.729 1.00 0.00 N ATOM 563 CA PHE A 38 58.119 -69.934 65.114 1.00 0.00 C ATOM 564 C PHE A 38 58.078 -68.570 65.797 1.00 0.00 C ATOM 565 O PHE A 38 58.316 -67.542 65.165 1.00 0.00 O ATOM 566 CB PHE A 38 59.544 -70.489 65.163 1.00 0.00 C ATOM 567 CG PHE A 38 59.533 -71.938 64.739 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.637 -72.272 63.383 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.422 -72.949 65.701 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.626 -73.615 62.990 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.412 -74.292 65.308 1.00 0.00 C ATOM 572 CZ PHE A 38 59.515 -74.626 63.953 1.00 0.00 C ATOM 0 H PHE A 38 57.919 -68.950 63.270 1.00 0.00 H new ATOM 0 HA PHE A 38 57.447 -70.612 65.641 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.194 -69.911 64.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.947 -70.397 66.171 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.726 -71.493 62.640 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.344 -72.692 66.747 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.703 -73.872 61.944 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.325 -75.071 66.051 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.509 -75.663 63.650 1.00 0.00 H new ATOM 582 N TYR A 39 57.774 -68.572 67.091 1.00 0.00 N ATOM 583 CA TYR A 39 57.686 -67.328 67.846 1.00 0.00 C ATOM 584 C TYR A 39 59.042 -66.967 68.445 1.00 0.00 C ATOM 585 O TYR A 39 59.533 -67.644 69.348 1.00 0.00 O ATOM 586 CB TYR A 39 56.653 -67.471 68.966 1.00 0.00 C ATOM 587 CG TYR A 39 55.276 -67.624 68.365 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.958 -68.770 67.627 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.317 -66.620 68.547 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.682 -68.913 67.070 1.00 0.00 C ATOM 591 CE2 TYR A 39 53.041 -66.763 67.991 1.00 0.00 C ATOM 592 CZ TYR A 39 52.723 -67.909 67.252 1.00 0.00 C ATOM 593 OH TYR A 39 51.464 -68.049 66.703 1.00 0.00 O ATOM 0 H TYR A 39 57.586 -69.414 67.635 1.00 0.00 H new ATOM 0 HA TYR A 39 57.379 -66.533 67.167 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.889 -68.337 69.585 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.683 -66.597 69.616 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.698 -69.544 67.487 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.562 -65.736 69.116 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.437 -69.797 66.500 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.301 -65.989 68.132 1.00 0.00 H new ATOM 0 HH TYR A 39 50.921 -67.264 66.925 1.00 0.00 H new ATOM 603 N ASP A 40 59.642 -65.897 67.934 1.00 0.00 N ATOM 604 CA ASP A 40 60.935 -65.447 68.435 1.00 0.00 C ATOM 605 C ASP A 40 60.752 -64.438 69.565 1.00 0.00 C ATOM 606 O ASP A 40 59.690 -64.368 70.181 1.00 0.00 O ATOM 607 CB ASP A 40 61.741 -64.806 67.302 1.00 0.00 C ATOM 608 CG ASP A 40 62.058 -65.848 66.234 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.886 -67.023 66.513 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.466 -65.454 65.155 1.00 0.00 O ATOM 0 H ASP A 40 59.257 -65.329 67.179 1.00 0.00 H new ATOM 0 HA ASP A 40 61.474 -66.313 68.820 1.00 0.00 H new ATOM 0 HB2 ASP A 40 61.176 -63.983 66.863 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.666 -64.384 67.696 1.00 0.00 H new ATOM 615 N GLU A 41 61.796 -63.658 69.830 1.00 0.00 N ATOM 616 CA GLU A 41 61.735 -62.649 70.882 1.00 0.00 C ATOM 617 C GLU A 41 61.071 -61.377 70.367 1.00 0.00 C ATOM 618 O GLU A 41 61.101 -60.338 71.028 1.00 0.00 O ATOM 619 CB GLU A 41 63.146 -62.326 71.378 1.00 0.00 C ATOM 620 CG GLU A 41 63.807 -63.601 71.906 1.00 0.00 C ATOM 621 CD GLU A 41 63.055 -64.107 73.132 1.00 0.00 C ATOM 622 OE1 GLU A 41 62.329 -63.325 73.723 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.217 -65.271 73.463 1.00 0.00 O ATOM 0 H GLU A 41 62.687 -63.704 69.336 1.00 0.00 H new ATOM 0 HA GLU A 41 61.142 -63.046 71.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 63.740 -61.905 70.567 1.00 0.00 H new ATOM 0 HB3 GLU A 41 63.103 -61.574 72.165 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.812 -64.367 71.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.847 -63.402 72.163 1.00 0.00 H new ATOM 630 N LYS A 42 60.472 -61.465 69.183 1.00 0.00 N ATOM 631 CA LYS A 42 59.812 -60.311 68.585 1.00 0.00 C ATOM 632 C LYS A 42 58.301 -60.516 68.550 1.00 0.00 C ATOM 633 O LYS A 42 57.564 -59.684 68.020 1.00 0.00 O ATOM 634 CB LYS A 42 60.332 -60.093 67.162 1.00 0.00 C ATOM 635 CG LYS A 42 61.837 -59.821 67.205 1.00 0.00 C ATOM 636 CD LYS A 42 62.338 -59.497 65.796 1.00 0.00 C ATOM 637 CE LYS A 42 63.864 -59.397 65.807 1.00 0.00 C ATOM 638 NZ LYS A 42 64.451 -60.765 65.896 1.00 0.00 N ATOM 0 H LYS A 42 60.430 -62.317 68.623 1.00 0.00 H new ATOM 0 HA LYS A 42 60.034 -59.434 69.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.128 -60.972 66.550 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.813 -59.254 66.698 1.00 0.00 H new ATOM 0 HG2 LYS A 42 62.048 -58.990 67.877 1.00 0.00 H new ATOM 0 HG3 LYS A 42 62.363 -60.691 67.599 1.00 0.00 H new ATOM 0 HD2 LYS A 42 62.019 -60.271 65.098 1.00 0.00 H new ATOM 0 HD3 LYS A 42 61.904 -58.558 65.451 1.00 0.00 H new ATOM 0 HE2 LYS A 42 64.213 -58.898 64.903 1.00 0.00 H new ATOM 0 HE3 LYS A 42 64.193 -58.793 66.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 65.134 -60.799 66.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.694 -61.457 66.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 64.935 -60.994 65.005 1.00 0.00 H new ATOM 652 N ARG A 43 57.846 -61.628 69.118 1.00 0.00 N ATOM 653 CA ARG A 43 56.420 -61.933 69.141 1.00 0.00 C ATOM 654 C ARG A 43 55.850 -61.937 67.726 1.00 0.00 C ATOM 655 O ARG A 43 54.637 -61.859 67.536 1.00 0.00 O ATOM 656 CB ARG A 43 55.678 -60.899 69.990 1.00 0.00 C ATOM 657 CG ARG A 43 56.268 -60.879 71.401 1.00 0.00 C ATOM 658 CD ARG A 43 55.938 -59.545 72.073 1.00 0.00 C ATOM 659 NE ARG A 43 56.469 -58.438 71.286 1.00 0.00 N ATOM 660 CZ ARG A 43 56.405 -57.187 71.731 1.00 0.00 C ATOM 661 NH1 ARG A 43 55.859 -56.933 72.888 1.00 0.00 N ATOM 662 NH2 ARG A 43 56.888 -56.213 71.009 1.00 0.00 N ATOM 0 H ARG A 43 58.438 -62.328 69.565 1.00 0.00 H new ATOM 0 HA ARG A 43 56.286 -62.923 69.577 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.762 -59.912 69.535 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.616 -61.142 70.032 1.00 0.00 H new ATOM 0 HG2 ARG A 43 55.863 -61.704 71.988 1.00 0.00 H new ATOM 0 HG3 ARG A 43 57.348 -61.019 71.357 1.00 0.00 H new ATOM 0 HD2 ARG A 43 54.858 -59.440 72.179 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.360 -59.522 73.078 1.00 0.00 H new ATOM 0 HE ARG A 43 56.896 -58.627 70.379 1.00 0.00 H new ATOM 0 HH11 ARG A 43 55.481 -57.694 73.452 1.00 0.00 H new ATOM 0 HH12 ARG A 43 55.810 -55.973 73.229 1.00 0.00 H new ATOM 0 HH21 ARG A 43 57.314 -56.412 70.104 1.00 0.00 H new ATOM 0 HH22 ARG A 43 56.839 -55.253 71.350 1.00 0.00 H new ATOM 676 N ASN A 44 56.734 -62.028 66.737 1.00 0.00 N ATOM 677 CA ASN A 44 56.307 -62.038 65.344 1.00 0.00 C ATOM 678 C ASN A 44 56.611 -63.386 64.698 1.00 0.00 C ATOM 679 O ASN A 44 57.764 -63.813 64.646 1.00 0.00 O ATOM 680 CB ASN A 44 57.022 -60.927 64.570 1.00 0.00 C ATOM 681 CG ASN A 44 57.683 -61.503 63.324 1.00 0.00 C ATOM 682 OD1 ASN A 44 57.082 -62.313 62.618 1.00 0.00 O ATOM 683 ND2 ASN A 44 58.894 -61.131 63.007 1.00 0.00 N ATOM 0 H ASN A 44 57.743 -62.095 66.873 1.00 0.00 H new ATOM 0 HA ASN A 44 55.231 -61.868 65.314 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.309 -60.152 64.288 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.772 -60.455 65.205 1.00 0.00 H new ATOM 0 HD21 ASN A 44 59.343 -61.512 62.174 1.00 0.00 H new ATOM 0 HD22 ASN A 44 59.391 -60.460 63.593 1.00 0.00 H new ATOM 690 N LEU A 45 55.569 -64.051 64.210 1.00 0.00 N ATOM 691 CA LEU A 45 55.738 -65.348 63.564 1.00 0.00 C ATOM 692 C LEU A 45 56.878 -65.297 62.551 1.00 0.00 C ATOM 693 O LEU A 45 56.863 -64.484 61.626 1.00 0.00 O ATOM 694 CB LEU A 45 54.444 -65.753 62.858 1.00 0.00 C ATOM 695 CG LEU A 45 53.245 -65.358 63.722 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.953 -65.817 63.045 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.366 -66.027 65.094 1.00 0.00 C ATOM 0 H LEU A 45 54.606 -63.717 64.249 1.00 0.00 H new ATOM 0 HA LEU A 45 55.979 -66.085 64.330 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.381 -65.266 61.885 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.437 -66.828 62.677 1.00 0.00 H new ATOM 0 HG LEU A 45 53.226 -64.275 63.843 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.099 -65.535 63.661 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.867 -65.343 62.067 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.971 -66.900 62.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.513 -65.747 65.712 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.385 -67.110 64.970 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.287 -65.701 65.578 1.00 0.00 H new ATOM 709 N GLN A 46 57.864 -66.170 62.732 1.00 0.00 N ATOM 710 CA GLN A 46 58.997 -66.227 61.816 1.00 0.00 C ATOM 711 C GLN A 46 59.170 -67.640 61.266 1.00 0.00 C ATOM 712 O GLN A 46 58.994 -68.622 61.985 1.00 0.00 O ATOM 713 CB GLN A 46 60.275 -65.798 62.540 1.00 0.00 C ATOM 714 CG GLN A 46 59.995 -64.547 63.373 1.00 0.00 C ATOM 715 CD GLN A 46 61.278 -63.742 63.553 1.00 0.00 C ATOM 716 OE1 GLN A 46 62.128 -63.721 62.663 1.00 0.00 O ATOM 717 NE2 GLN A 46 61.470 -63.076 64.658 1.00 0.00 N ATOM 0 H GLN A 46 57.902 -66.842 63.498 1.00 0.00 H new ATOM 0 HA GLN A 46 58.805 -65.547 60.986 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.629 -66.604 63.183 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.065 -65.597 61.817 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.238 -63.935 62.882 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.594 -64.830 64.346 1.00 0.00 H new ATOM 0 HE21 GLN A 46 60.764 -63.095 65.394 1.00 0.00 H new ATOM 0 HE22 GLN A 46 62.326 -62.536 64.786 1.00 0.00 H new ATOM 726 N CYS A 47 59.515 -67.732 59.985 1.00 0.00 N ATOM 727 CA CYS A 47 59.734 -69.028 59.355 1.00 0.00 C ATOM 728 C CYS A 47 61.164 -69.505 59.589 1.00 0.00 C ATOM 729 O CYS A 47 62.123 -68.809 59.253 1.00 0.00 O ATOM 730 CB CYS A 47 59.485 -68.945 57.846 1.00 0.00 C ATOM 731 SG CYS A 47 57.715 -68.760 57.515 1.00 0.00 S ATOM 0 H CYS A 47 59.648 -66.931 59.368 1.00 0.00 H new ATOM 0 HA CYS A 47 59.035 -69.734 59.802 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.031 -68.101 57.426 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.862 -69.844 57.358 1.00 0.00 H new ATOM 736 N ILE A 48 61.300 -70.694 60.167 1.00 0.00 N ATOM 737 CA ILE A 48 62.618 -71.252 60.444 1.00 0.00 C ATOM 738 C ILE A 48 62.937 -72.385 59.476 1.00 0.00 C ATOM 739 O ILE A 48 62.574 -73.537 59.713 1.00 0.00 O ATOM 740 CB ILE A 48 62.673 -71.775 61.881 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.568 -70.601 62.855 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.996 -72.508 62.108 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.690 -71.116 64.291 1.00 0.00 C ATOM 0 H ILE A 48 60.519 -71.286 60.451 1.00 0.00 H new ATOM 0 HA ILE A 48 63.358 -70.462 60.316 1.00 0.00 H new ATOM 0 HB ILE A 48 61.844 -72.462 62.049 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.354 -69.874 62.650 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.616 -70.088 62.721 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.035 -72.880 63.132 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.072 -73.345 61.414 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.826 -71.821 61.940 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.615 -70.279 64.985 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.889 -71.827 64.492 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.653 -71.609 64.420 1.00 0.00 H new ATOM 755 N CYS A 49 63.615 -72.051 58.383 1.00 0.00 N ATOM 756 CA CYS A 49 63.986 -73.053 57.390 1.00 0.00 C ATOM 757 C CYS A 49 64.884 -74.118 58.013 1.00 0.00 C ATOM 758 O CYS A 49 66.028 -73.844 58.376 1.00 0.00 O ATOM 759 CB CYS A 49 64.747 -72.392 56.239 1.00 0.00 C ATOM 760 SG CYS A 49 63.668 -72.207 54.798 1.00 0.00 S ATOM 0 H CYS A 49 63.917 -71.102 58.163 1.00 0.00 H new ATOM 0 HA CYS A 49 63.071 -73.516 57.020 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.118 -71.416 56.552 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.617 -72.994 55.976 1.00 0.00 H new ATOM 765 N ASP A 50 64.357 -75.332 58.132 1.00 0.00 N ATOM 766 CA ASP A 50 65.126 -76.434 58.700 1.00 0.00 C ATOM 767 C ASP A 50 65.735 -77.290 57.594 1.00 0.00 C ATOM 768 O ASP A 50 65.026 -77.779 56.714 1.00 0.00 O ATOM 769 CB ASP A 50 64.224 -77.301 59.581 1.00 0.00 C ATOM 770 CG ASP A 50 63.133 -77.946 58.734 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.413 -78.274 57.592 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.033 -78.104 59.238 1.00 0.00 O ATOM 0 H ASP A 50 63.409 -75.577 57.846 1.00 0.00 H new ATOM 0 HA ASP A 50 65.931 -76.016 59.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.816 -78.072 60.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.775 -76.693 60.366 1.00 0.00 H new ATOM 777 N TYR A 51 67.051 -77.464 57.645 1.00 0.00 N ATOM 778 CA TYR A 51 67.742 -78.280 56.653 1.00 0.00 C ATOM 779 C TYR A 51 68.105 -79.642 57.236 1.00 0.00 C ATOM 780 O TYR A 51 69.280 -79.988 57.345 1.00 0.00 O ATOM 781 CB TYR A 51 69.012 -77.568 56.186 1.00 0.00 C ATOM 782 CG TYR A 51 68.652 -76.500 55.181 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.264 -75.228 55.620 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.704 -76.782 53.811 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.930 -74.239 54.689 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.369 -75.793 52.879 1.00 0.00 C ATOM 787 CZ TYR A 51 67.982 -74.521 53.317 1.00 0.00 C ATOM 788 OH TYR A 51 67.651 -73.545 52.399 1.00 0.00 O ATOM 0 H TYR A 51 67.657 -77.055 58.356 1.00 0.00 H new ATOM 0 HA TYR A 51 67.075 -78.428 55.804 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.525 -77.122 57.038 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.700 -78.285 55.739 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.223 -75.011 56.677 1.00 0.00 H new ATOM 0 HD2 TYR A 51 69.003 -77.763 53.473 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.632 -73.258 55.027 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.409 -76.011 51.822 1.00 0.00 H new ATOM 0 HH TYR A 51 67.585 -73.944 51.506 1.00 0.00 H new ATOM 798 N CYS A 52 67.087 -80.411 57.610 1.00 0.00 N ATOM 799 CA CYS A 52 67.311 -81.732 58.183 1.00 0.00 C ATOM 800 C CYS A 52 65.997 -82.500 58.294 1.00 0.00 C ATOM 801 O CYS A 52 64.958 -82.042 57.820 1.00 0.00 O ATOM 802 CB CYS A 52 67.946 -81.599 59.569 1.00 0.00 C ATOM 803 SG CYS A 52 69.740 -81.425 59.397 1.00 0.00 S ATOM 0 H CYS A 52 66.106 -80.144 57.527 1.00 0.00 H new ATOM 0 HA CYS A 52 67.984 -82.282 57.526 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.534 -80.733 60.088 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.711 -82.475 60.174 1.00 0.00 H new ATOM 808 N GLU A 53 66.052 -83.669 58.924 1.00 0.00 N ATOM 809 CA GLU A 53 64.859 -84.491 59.094 1.00 0.00 C ATOM 810 C GLU A 53 64.221 -84.234 60.456 1.00 0.00 C ATOM 811 O GLU A 53 64.404 -85.010 61.394 1.00 0.00 O ATOM 812 CB GLU A 53 65.223 -85.971 58.970 1.00 0.00 C ATOM 813 CG GLU A 53 65.811 -86.238 57.583 1.00 0.00 C ATOM 814 CD GLU A 53 64.750 -86.006 56.513 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.581 -85.994 56.860 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.123 -85.844 55.363 1.00 0.00 O ATOM 0 H GLU A 53 66.903 -84.066 59.323 1.00 0.00 H new ATOM 0 HA GLU A 53 64.144 -84.227 58.315 1.00 0.00 H new ATOM 0 HB2 GLU A 53 65.943 -86.245 59.741 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.338 -86.588 59.127 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.664 -85.583 57.409 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.179 -87.262 57.526 1.00 0.00 H new ATOM 823 N TYR A 54 63.473 -83.141 60.557 1.00 0.00 N ATOM 824 CA TYR A 54 62.806 -82.795 61.807 1.00 0.00 C ATOM 825 C TYR A 54 63.725 -83.062 62.995 1.00 0.00 C ATOM 826 CB TYR A 54 61.523 -83.614 61.957 1.00 0.00 C ATOM 827 CG TYR A 54 60.583 -83.290 60.822 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.656 -82.249 60.956 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.636 -84.031 59.635 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.783 -81.949 59.903 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.764 -83.730 58.582 1.00 0.00 C ATOM 832 CZ TYR A 54 58.838 -82.689 58.716 1.00 0.00 C ATOM 833 OH TYR A 54 57.977 -82.394 57.679 1.00 0.00 O ATOM 0 H TYR A 54 63.314 -82.483 59.794 1.00 0.00 H new ATOM 0 HA TYR A 54 62.559 -81.734 61.785 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.757 -84.679 61.957 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.047 -83.392 62.912 1.00 0.00 H new ATOM 0 HD1 TYR A 54 59.614 -81.678 61.871 1.00 0.00 H new ATOM 0 HD2 TYR A 54 61.350 -84.835 59.532 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.067 -81.147 60.007 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.806 -84.301 57.666 1.00 0.00 H new ATOM 0 HH TYR A 54 58.148 -83.001 56.929 1.00 0.00 H new TER 843 TYR A 54