USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=17 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 154:sc= 0.106 USER MOD Set 1.2: A 54 TYR OH : rot 78:sc= 0.112 USER MOD Set 2.1: A 44 ASN : amide:sc= -0.812 K(o=-1.3,f=-7.2!) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -0.518! C(o=-9.2!,f=-1.3!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 147:sc= -0.845 (180deg=-1.58) USER MOD Set 3.2: A 30 LYS NZ :NH3+ 153:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0706) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= -0.161 (180deg=-0.767) USER MOD Single : A 8 TYR OH : rot 50:sc= -3.84! USER MOD Single : A 10 ASN : amide:sc= -0.979 K(o=-0.98,f=-3.9!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00524 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.0683 (180deg=-0.983) USER MOD Single : A 17 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3!) USER MOD Single : A 20 ASN : amide:sc= -0.0455 K(o=-0.046,f=-1.8!) USER MOD Single : A 21 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -9.88! C(o=-9.9!,f=-29!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -2.22 (180deg=-2.43) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.406 F(o=-1.2,f=-0.41) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0081 (180deg=-0.241) USER MOD Single : A 51 TYR OH : rot -176:sc= -0.467 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 71.353 -74.413 66.433 1.00 0.00 N ATOM 2 CA ASP A 2 70.700 -74.333 65.131 1.00 0.00 C ATOM 3 C ASP A 2 71.510 -75.085 64.079 1.00 0.00 C ATOM 4 O ASP A 2 71.932 -74.508 63.076 1.00 0.00 O ATOM 5 CB ASP A 2 70.550 -72.869 64.711 1.00 0.00 C ATOM 6 CG ASP A 2 69.558 -72.164 65.629 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.862 -72.852 66.358 1.00 0.00 O ATOM 8 OD2 ASP A 2 69.509 -70.945 65.590 1.00 0.00 O ATOM 0 HA ASP A 2 69.714 -74.791 65.211 1.00 0.00 H new ATOM 0 HB2 ASP A 2 71.517 -72.369 64.754 1.00 0.00 H new ATOM 0 HB3 ASP A 2 70.207 -72.811 63.678 1.00 0.00 H new ATOM 13 N LYS A 3 71.722 -76.376 64.315 1.00 0.00 N ATOM 14 CA LYS A 3 72.480 -77.198 63.379 1.00 0.00 C ATOM 15 C LYS A 3 71.808 -77.211 62.011 1.00 0.00 C ATOM 16 O LYS A 3 72.472 -77.100 60.980 1.00 0.00 O ATOM 17 CB LYS A 3 72.589 -78.629 63.910 1.00 0.00 C ATOM 18 CG LYS A 3 71.190 -79.170 64.211 1.00 0.00 C ATOM 19 CD LYS A 3 71.307 -80.494 64.967 1.00 0.00 C ATOM 20 CE LYS A 3 69.918 -81.119 65.119 1.00 0.00 C ATOM 21 NZ LYS A 3 69.122 -80.329 66.100 1.00 0.00 N ATOM 0 H LYS A 3 71.383 -76.872 65.139 1.00 0.00 H new ATOM 0 HA LYS A 3 73.478 -76.772 63.276 1.00 0.00 H new ATOM 0 HB2 LYS A 3 73.086 -79.264 63.176 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.200 -78.648 64.813 1.00 0.00 H new ATOM 0 HG2 LYS A 3 70.629 -78.448 64.805 1.00 0.00 H new ATOM 0 HG3 LYS A 3 70.638 -79.317 63.283 1.00 0.00 H new ATOM 0 HD2 LYS A 3 71.967 -81.175 64.430 1.00 0.00 H new ATOM 0 HD3 LYS A 3 71.752 -80.327 65.948 1.00 0.00 H new ATOM 0 HE2 LYS A 3 69.410 -81.140 64.155 1.00 0.00 H new ATOM 0 HE3 LYS A 3 70.007 -82.152 65.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 68.232 -80.826 66.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 69.667 -80.216 66.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 68.911 -79.392 65.701 1.00 0.00 H new ATOM 35 N CYS A 4 70.486 -77.349 62.008 1.00 0.00 N ATOM 36 CA CYS A 4 69.732 -77.369 60.759 1.00 0.00 C ATOM 37 C CYS A 4 68.582 -76.372 60.775 1.00 0.00 C ATOM 38 O CYS A 4 67.512 -76.745 60.294 1.00 0.00 O ATOM 39 CB CYS A 4 69.090 -78.742 60.559 1.00 0.00 C ATOM 40 SG CYS A 4 70.350 -80.029 60.735 1.00 0.00 S ATOM 0 H CYS A 4 69.918 -77.448 62.849 1.00 0.00 H new ATOM 0 HA CYS A 4 70.440 -77.122 59.968 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.296 -78.894 61.290 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.631 -78.800 59.572 1.00 0.00 H new ATOM 45 N LYS A 5 68.749 -75.177 61.331 1.00 0.00 N ATOM 46 CA LYS A 5 67.653 -74.218 61.398 1.00 0.00 C ATOM 47 C LYS A 5 68.114 -72.842 60.926 1.00 0.00 C ATOM 48 O LYS A 5 69.216 -72.400 61.252 1.00 0.00 O ATOM 49 CB LYS A 5 67.133 -74.119 62.835 1.00 0.00 C ATOM 50 CG LYS A 5 66.809 -75.520 63.357 1.00 0.00 C ATOM 51 CD LYS A 5 65.545 -76.042 62.670 1.00 0.00 C ATOM 52 CE LYS A 5 65.024 -77.267 63.423 1.00 0.00 C ATOM 53 NZ LYS A 5 64.544 -76.855 64.772 1.00 0.00 N ATOM 0 H LYS A 5 69.625 -74.851 61.739 1.00 0.00 H new ATOM 0 HA LYS A 5 66.852 -74.564 60.744 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.880 -73.646 63.472 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.242 -73.492 62.868 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.644 -76.193 63.165 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.664 -75.493 64.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.782 -75.264 62.648 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.763 -76.304 61.635 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.213 -77.733 62.864 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.814 -78.012 63.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.809 -77.516 65.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.340 -76.866 65.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.147 -75.895 64.721 1.00 0.00 H new ATOM 67 N LYS A 6 67.264 -72.171 60.156 1.00 0.00 N ATOM 68 CA LYS A 6 67.575 -70.827 59.683 1.00 0.00 C ATOM 69 C LYS A 6 66.364 -69.912 59.834 1.00 0.00 C ATOM 70 O LYS A 6 65.331 -70.125 59.199 1.00 0.00 O ATOM 71 CB LYS A 6 68.000 -70.875 58.213 1.00 0.00 C ATOM 72 CG LYS A 6 69.474 -71.272 58.120 1.00 0.00 C ATOM 73 CD LYS A 6 69.739 -71.940 56.770 1.00 0.00 C ATOM 74 CE LYS A 6 69.278 -71.016 55.642 1.00 0.00 C ATOM 75 NZ LYS A 6 69.730 -69.624 55.923 1.00 0.00 N ATOM 0 H LYS A 6 66.361 -72.532 59.848 1.00 0.00 H new ATOM 0 HA LYS A 6 68.393 -70.431 60.285 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.385 -71.591 57.669 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.844 -69.902 57.747 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.106 -70.391 58.232 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.730 -71.954 58.931 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.801 -72.159 56.663 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.210 -72.892 56.714 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.685 -71.356 54.690 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.192 -71.046 55.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.939 -69.139 55.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 68.980 -69.111 56.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 70.588 -69.649 56.511 1.00 0.00 H new ATOM 89 N VAL A 7 66.499 -68.894 60.676 1.00 0.00 N ATOM 90 CA VAL A 7 65.390 -67.986 60.945 1.00 0.00 C ATOM 91 C VAL A 7 65.193 -67.023 59.779 1.00 0.00 C ATOM 92 O VAL A 7 66.160 -66.506 59.218 1.00 0.00 O ATOM 93 CB VAL A 7 65.660 -67.193 62.225 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.418 -66.382 62.595 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.993 -68.162 63.362 1.00 0.00 C ATOM 0 H VAL A 7 67.358 -68.677 61.181 1.00 0.00 H new ATOM 0 HA VAL A 7 64.483 -68.578 61.071 1.00 0.00 H new ATOM 0 HB VAL A 7 66.500 -66.517 62.064 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.611 -65.817 63.507 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.179 -65.693 61.785 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.578 -67.057 62.757 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.186 -67.599 64.275 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.152 -68.837 63.523 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.878 -68.741 63.099 1.00 0.00 H new ATOM 105 N TYR A 8 63.936 -66.785 59.419 1.00 0.00 N ATOM 106 CA TYR A 8 63.624 -65.841 58.351 1.00 0.00 C ATOM 107 C TYR A 8 63.504 -64.425 58.905 1.00 0.00 C ATOM 108 O TYR A 8 62.747 -64.177 59.844 1.00 0.00 O ATOM 109 CB TYR A 8 62.311 -66.238 57.672 1.00 0.00 C ATOM 110 CG TYR A 8 62.610 -67.072 56.449 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.470 -68.174 56.545 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.029 -66.743 55.219 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.747 -68.947 55.411 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.306 -67.517 54.085 1.00 0.00 C ATOM 115 CZ TYR A 8 63.165 -68.618 54.181 1.00 0.00 C ATOM 116 OH TYR A 8 63.438 -69.380 53.063 1.00 0.00 O ATOM 0 H TYR A 8 63.123 -67.228 59.847 1.00 0.00 H new ATOM 0 HA TYR A 8 64.433 -65.866 57.621 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.686 -66.801 58.365 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.751 -65.347 57.390 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.919 -68.427 57.494 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.367 -65.893 55.144 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.409 -69.797 55.485 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.857 -67.264 53.136 1.00 0.00 H new ATOM 0 HH TYR A 8 63.305 -70.328 53.273 1.00 0.00 H new ATOM 126 N GLU A 9 64.257 -63.499 58.318 1.00 0.00 N ATOM 127 CA GLU A 9 64.222 -62.110 58.757 1.00 0.00 C ATOM 128 C GLU A 9 63.416 -61.259 57.781 1.00 0.00 C ATOM 129 O GLU A 9 63.617 -61.328 56.569 1.00 0.00 O ATOM 130 CB GLU A 9 65.646 -61.559 58.860 1.00 0.00 C ATOM 131 CG GLU A 9 66.434 -62.370 59.890 1.00 0.00 C ATOM 132 CD GLU A 9 66.839 -63.715 59.296 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.736 -63.862 58.089 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.246 -64.578 60.056 1.00 0.00 O ATOM 0 H GLU A 9 64.894 -63.684 57.543 1.00 0.00 H new ATOM 0 HA GLU A 9 63.745 -62.071 59.736 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.138 -61.609 57.889 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.621 -60.509 59.151 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.321 -61.817 60.198 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.829 -62.525 60.783 1.00 0.00 H new ATOM 141 N ASN A 10 62.502 -60.456 58.319 1.00 0.00 N ATOM 142 CA ASN A 10 61.685 -59.581 57.488 1.00 0.00 C ATOM 143 C ASN A 10 60.833 -60.400 56.522 1.00 0.00 C ATOM 144 O ASN A 10 61.107 -60.446 55.323 1.00 0.00 O ATOM 145 CB ASN A 10 62.579 -58.625 56.697 1.00 0.00 C ATOM 146 CG ASN A 10 63.614 -57.994 57.623 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.573 -58.203 58.836 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.545 -57.230 57.121 1.00 0.00 N ATOM 0 H ASN A 10 62.310 -60.394 59.319 1.00 0.00 H new ATOM 0 HA ASN A 10 61.026 -59.006 58.139 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.079 -59.164 55.892 1.00 0.00 H new ATOM 0 HB3 ASN A 10 61.973 -57.848 56.232 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.241 -56.804 57.734 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.577 -57.058 56.116 1.00 0.00 H new ATOM 155 N TYR A 11 59.799 -61.043 57.055 1.00 0.00 N ATOM 156 CA TYR A 11 58.892 -61.829 56.225 1.00 0.00 C ATOM 157 C TYR A 11 57.447 -61.621 56.668 1.00 0.00 C ATOM 158 O TYR A 11 57.166 -61.472 57.858 1.00 0.00 O ATOM 159 CB TYR A 11 59.249 -63.312 56.320 1.00 0.00 C ATOM 160 CG TYR A 11 60.198 -63.675 55.203 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.558 -63.357 55.310 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.719 -64.327 54.061 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.439 -63.692 54.274 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.600 -64.662 53.025 1.00 0.00 C ATOM 165 CZ TYR A 11 61.959 -64.344 53.132 1.00 0.00 C ATOM 166 OH TYR A 11 62.827 -64.675 52.110 1.00 0.00 O ATOM 0 H TYR A 11 59.569 -61.036 58.049 1.00 0.00 H new ATOM 0 HA TYR A 11 58.995 -61.498 55.192 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.708 -63.525 57.285 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.346 -63.919 56.256 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.927 -62.854 56.191 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.670 -64.572 53.979 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.488 -63.448 54.356 1.00 0.00 H new ATOM 0 HE2 TYR A 11 60.231 -65.166 52.144 1.00 0.00 H new ATOM 0 HH TYR A 11 62.332 -65.123 51.393 1.00 0.00 H new ATOM 176 N PRO A 12 56.536 -61.607 55.734 1.00 0.00 N ATOM 177 CA PRO A 12 55.087 -61.420 56.021 1.00 0.00 C ATOM 178 C PRO A 12 54.611 -62.289 57.182 1.00 0.00 C ATOM 179 O PRO A 12 54.758 -63.512 57.155 1.00 0.00 O ATOM 180 CB PRO A 12 54.404 -61.842 54.719 1.00 0.00 C ATOM 181 CG PRO A 12 55.418 -61.611 53.647 1.00 0.00 C ATOM 182 CD PRO A 12 56.795 -61.772 54.296 1.00 0.00 C ATOM 0 HA PRO A 12 54.861 -60.396 56.320 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.102 -62.889 54.755 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.503 -61.256 54.540 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.289 -62.324 52.833 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.307 -60.615 53.219 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.226 -62.749 54.078 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.498 -61.024 53.929 1.00 0.00 H new ATOM 190 N VAL A 13 54.042 -61.651 58.200 1.00 0.00 N ATOM 191 CA VAL A 13 53.550 -62.376 59.365 1.00 0.00 C ATOM 192 C VAL A 13 52.198 -63.015 59.065 1.00 0.00 C ATOM 193 O VAL A 13 51.987 -64.198 59.333 1.00 0.00 O ATOM 194 CB VAL A 13 53.415 -61.423 60.553 1.00 0.00 C ATOM 195 CG1 VAL A 13 52.452 -60.290 60.193 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.869 -62.190 61.760 1.00 0.00 C ATOM 0 H VAL A 13 53.911 -60.640 58.242 1.00 0.00 H new ATOM 0 HA VAL A 13 54.264 -63.162 59.610 1.00 0.00 H new ATOM 0 HB VAL A 13 54.392 -61.005 60.797 1.00 0.00 H new ATOM 0 HG11 VAL A 13 52.356 -59.611 61.040 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.838 -59.744 59.332 1.00 0.00 H new ATOM 0 HG13 VAL A 13 51.475 -60.707 59.950 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.772 -61.512 62.608 1.00 0.00 H new ATOM 0 HG22 VAL A 13 51.892 -62.607 61.515 1.00 0.00 H new ATOM 0 HG23 VAL A 13 53.554 -62.998 62.018 1.00 0.00 H new ATOM 206 N SER A 14 51.285 -62.225 58.510 1.00 0.00 N ATOM 207 CA SER A 14 49.946 -62.715 58.208 1.00 0.00 C ATOM 208 C SER A 14 50.019 -64.025 57.429 1.00 0.00 C ATOM 209 O SER A 14 49.182 -64.910 57.605 1.00 0.00 O ATOM 210 CB SER A 14 49.180 -61.674 57.391 1.00 0.00 C ATOM 211 OG SER A 14 49.802 -61.526 56.121 1.00 0.00 O ATOM 0 H SER A 14 51.446 -61.249 58.262 1.00 0.00 H new ATOM 0 HA SER A 14 49.424 -62.893 59.148 1.00 0.00 H new ATOM 0 HB2 SER A 14 48.142 -61.983 57.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.167 -60.719 57.917 1.00 0.00 H new ATOM 0 HG SER A 14 49.313 -60.861 55.593 1.00 0.00 H new ATOM 217 N LYS A 15 51.023 -64.139 56.568 1.00 0.00 N ATOM 218 CA LYS A 15 51.199 -65.347 55.769 1.00 0.00 C ATOM 219 C LYS A 15 51.582 -66.524 56.660 1.00 0.00 C ATOM 220 O LYS A 15 51.250 -67.672 56.364 1.00 0.00 O ATOM 221 CB LYS A 15 52.287 -65.124 54.717 1.00 0.00 C ATOM 222 CG LYS A 15 51.922 -63.917 53.851 1.00 0.00 C ATOM 223 CD LYS A 15 50.618 -64.202 53.102 1.00 0.00 C ATOM 224 CE LYS A 15 50.531 -63.305 51.866 1.00 0.00 C ATOM 225 NZ LYS A 15 51.105 -61.966 52.183 1.00 0.00 N ATOM 0 H LYS A 15 51.724 -63.416 56.405 1.00 0.00 H new ATOM 0 HA LYS A 15 50.256 -65.573 55.271 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.249 -64.959 55.203 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.393 -66.012 54.095 1.00 0.00 H new ATOM 0 HG2 LYS A 15 51.810 -63.030 54.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 52.723 -63.709 53.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 50.578 -65.250 52.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 49.764 -64.022 53.755 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.073 -63.758 51.036 1.00 0.00 H new ATOM 0 HE3 LYS A 15 49.493 -63.202 51.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 50.729 -61.261 51.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 50.846 -61.698 53.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 52.141 -62.004 52.099 1.00 0.00 H new ATOM 239 N CYS A 16 52.283 -66.232 57.750 1.00 0.00 N ATOM 240 CA CYS A 16 52.706 -67.275 58.677 1.00 0.00 C ATOM 241 C CYS A 16 51.496 -67.925 59.341 1.00 0.00 C ATOM 242 O CYS A 16 51.605 -68.995 59.938 1.00 0.00 O ATOM 243 CB CYS A 16 53.621 -66.680 59.750 1.00 0.00 C ATOM 244 SG CYS A 16 55.163 -67.625 59.818 1.00 0.00 S ATOM 0 H CYS A 16 52.569 -65.289 58.012 1.00 0.00 H new ATOM 0 HA CYS A 16 53.250 -68.035 58.116 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.832 -65.635 59.525 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.125 -66.703 60.720 1.00 0.00 H new ATOM 249 N GLN A 17 50.345 -67.271 59.230 1.00 0.00 N ATOM 250 CA GLN A 17 49.120 -67.797 59.821 1.00 0.00 C ATOM 251 C GLN A 17 48.723 -69.108 59.151 1.00 0.00 C ATOM 252 O GLN A 17 47.733 -69.735 59.527 1.00 0.00 O ATOM 253 CB GLN A 17 47.987 -66.779 59.668 1.00 0.00 C ATOM 254 CG GLN A 17 47.430 -66.845 58.244 1.00 0.00 C ATOM 255 CD GLN A 17 46.667 -65.565 57.924 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.229 -64.858 58.832 1.00 0.00 O ATOM 257 NE2 GLN A 17 46.479 -65.222 56.678 1.00 0.00 N ATOM 0 H GLN A 17 50.234 -66.383 58.740 1.00 0.00 H new ATOM 0 HA GLN A 17 49.300 -67.983 60.880 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.197 -66.988 60.389 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.355 -65.775 59.880 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.244 -66.981 57.532 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.770 -67.707 58.142 1.00 0.00 H new ATOM 0 HE21 GLN A 17 46.843 -65.809 55.927 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.969 -64.367 56.456 1.00 0.00 H new ATOM 266 N LEU A 18 49.503 -69.517 58.154 1.00 0.00 N ATOM 267 CA LEU A 18 49.232 -70.763 57.448 1.00 0.00 C ATOM 268 C LEU A 18 50.504 -71.596 57.325 1.00 0.00 C ATOM 269 O LEU A 18 51.311 -71.384 56.420 1.00 0.00 O ATOM 270 CB LEU A 18 48.679 -70.463 56.053 1.00 0.00 C ATOM 271 CG LEU A 18 47.175 -70.202 56.147 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.745 -69.281 55.003 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.420 -71.529 56.042 1.00 0.00 C ATOM 0 H LEU A 18 50.321 -69.008 57.820 1.00 0.00 H new ATOM 0 HA LEU A 18 48.494 -71.329 58.017 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.184 -69.595 55.629 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.872 -71.302 55.385 1.00 0.00 H new ATOM 0 HG LEU A 18 46.948 -69.728 57.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.673 -69.095 55.069 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.283 -68.336 55.075 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.972 -69.756 54.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.348 -71.344 56.109 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.648 -72.003 55.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.726 -72.187 56.855 1.00 0.00 H new ATOM 285 N ALA A 19 50.677 -72.543 58.242 1.00 0.00 N ATOM 286 CA ALA A 19 51.855 -73.402 58.227 1.00 0.00 C ATOM 287 C ALA A 19 52.155 -73.878 56.809 1.00 0.00 C ATOM 288 O ALA A 19 53.227 -74.419 56.539 1.00 0.00 O ATOM 289 CB ALA A 19 51.632 -74.611 59.137 1.00 0.00 C ATOM 0 H ALA A 19 50.021 -72.734 59.000 1.00 0.00 H new ATOM 0 HA ALA A 19 52.705 -72.825 58.591 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.517 -75.247 59.120 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.450 -74.270 60.156 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.770 -75.178 58.784 1.00 0.00 H new ATOM 295 N ASN A 20 51.200 -73.674 55.908 1.00 0.00 N ATOM 296 CA ASN A 20 51.375 -74.081 54.518 1.00 0.00 C ATOM 297 C ASN A 20 52.174 -73.033 53.748 1.00 0.00 C ATOM 298 O ASN A 20 53.025 -73.368 52.924 1.00 0.00 O ATOM 299 CB ASN A 20 50.012 -74.275 53.854 1.00 0.00 C ATOM 300 CG ASN A 20 49.326 -75.512 54.423 1.00 0.00 C ATOM 301 OD1 ASN A 20 49.981 -76.369 55.016 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.037 -75.657 54.276 1.00 0.00 N ATOM 0 H ASN A 20 50.303 -73.233 56.113 1.00 0.00 H new ATOM 0 HA ASN A 20 51.923 -75.023 54.502 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.389 -73.396 54.019 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.135 -74.381 52.776 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.570 -76.482 54.653 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.497 -74.945 53.784 1.00 0.00 H new ATOM 309 N GLN A 21 51.894 -71.764 54.024 1.00 0.00 N ATOM 310 CA GLN A 21 52.600 -70.675 53.359 1.00 0.00 C ATOM 311 C GLN A 21 54.014 -70.534 53.913 1.00 0.00 C ATOM 312 O GLN A 21 54.978 -70.412 53.158 1.00 0.00 O ATOM 313 CB GLN A 21 51.841 -69.362 53.558 1.00 0.00 C ATOM 314 CG GLN A 21 50.537 -69.399 52.757 1.00 0.00 C ATOM 315 CD GLN A 21 50.844 -69.436 51.264 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.471 -68.518 50.734 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.438 -70.449 50.549 1.00 0.00 N ATOM 0 H GLN A 21 51.189 -71.465 54.698 1.00 0.00 H new ATOM 0 HA GLN A 21 52.660 -70.904 52.295 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.626 -69.211 54.616 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.455 -68.522 53.234 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.952 -70.275 53.038 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.932 -68.523 52.991 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.919 -71.209 50.989 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.640 -70.481 49.550 1.00 0.00 H new ATOM 326 N CYS A 22 54.129 -70.551 55.237 1.00 0.00 N ATOM 327 CA CYS A 22 55.428 -70.407 55.885 1.00 0.00 C ATOM 328 C CYS A 22 56.425 -71.413 55.320 1.00 0.00 C ATOM 329 O CYS A 22 57.467 -71.036 54.785 1.00 0.00 O ATOM 330 CB CYS A 22 55.285 -70.618 57.392 1.00 0.00 C ATOM 331 SG CYS A 22 56.917 -70.529 58.172 1.00 0.00 S ATOM 0 H CYS A 22 53.344 -70.662 55.879 1.00 0.00 H new ATOM 0 HA CYS A 22 55.799 -69.400 55.693 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.626 -69.860 57.815 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.827 -71.586 57.592 1.00 0.00 H new ATOM 336 N ASN A 23 56.099 -72.696 55.446 1.00 0.00 N ATOM 337 CA ASN A 23 56.987 -73.750 54.970 1.00 0.00 C ATOM 338 C ASN A 23 57.236 -73.611 53.471 1.00 0.00 C ATOM 339 O ASN A 23 58.375 -73.690 53.011 1.00 0.00 O ATOM 340 CB ASN A 23 56.374 -75.120 55.261 1.00 0.00 C ATOM 341 CG ASN A 23 54.942 -75.171 54.742 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.330 -74.130 54.501 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.367 -76.327 54.551 1.00 0.00 N ATOM 0 H ASN A 23 55.233 -73.029 55.870 1.00 0.00 H new ATOM 0 HA ASN A 23 57.939 -73.658 55.493 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.969 -75.902 54.788 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.388 -75.313 56.334 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.410 -76.369 54.202 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.875 -77.189 54.751 1.00 0.00 H new ATOM 350 N TYR A 24 56.163 -73.404 52.716 1.00 0.00 N ATOM 351 CA TYR A 24 56.278 -73.251 51.269 1.00 0.00 C ATOM 352 C TYR A 24 57.224 -72.106 50.921 1.00 0.00 C ATOM 353 O TYR A 24 58.232 -72.305 50.243 1.00 0.00 O ATOM 354 CB TYR A 24 54.900 -72.978 50.663 1.00 0.00 C ATOM 355 CG TYR A 24 54.263 -74.283 50.248 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.051 -75.291 51.196 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.887 -74.485 48.915 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.461 -76.501 50.812 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.297 -75.695 48.530 1.00 0.00 C ATOM 360 CZ TYR A 24 53.084 -76.703 49.479 1.00 0.00 C ATOM 361 OH TYR A 24 52.502 -77.895 49.100 1.00 0.00 O ATOM 0 H TYR A 24 55.211 -73.339 53.077 1.00 0.00 H new ATOM 0 HA TYR A 24 56.681 -74.176 50.857 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.267 -72.467 51.388 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.995 -72.317 49.801 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.343 -75.135 52.224 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.052 -73.708 48.184 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.297 -77.278 51.544 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.006 -75.851 47.502 1.00 0.00 H new ATOM 0 HH TYR A 24 52.301 -77.870 48.141 1.00 0.00 H new ATOM 371 N ASP A 25 56.893 -70.908 51.390 1.00 0.00 N ATOM 372 CA ASP A 25 57.714 -69.735 51.114 1.00 0.00 C ATOM 373 C ASP A 25 59.169 -69.994 51.494 1.00 0.00 C ATOM 374 O ASP A 25 60.087 -69.614 50.768 1.00 0.00 O ATOM 375 CB ASP A 25 57.187 -68.531 51.898 1.00 0.00 C ATOM 376 CG ASP A 25 55.833 -68.102 51.345 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.459 -68.600 50.296 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.190 -67.280 51.978 1.00 0.00 O ATOM 0 H ASP A 25 56.067 -70.724 51.960 1.00 0.00 H new ATOM 0 HA ASP A 25 57.662 -69.524 50.046 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.094 -68.786 52.954 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.895 -67.705 51.831 1.00 0.00 H new ATOM 383 N CYS A 26 59.371 -70.641 52.638 1.00 0.00 N ATOM 384 CA CYS A 26 60.719 -70.941 53.105 1.00 0.00 C ATOM 385 C CYS A 26 61.501 -71.702 52.038 1.00 0.00 C ATOM 386 O CYS A 26 62.637 -71.349 51.718 1.00 0.00 O ATOM 387 CB CYS A 26 60.653 -71.777 54.384 1.00 0.00 C ATOM 388 SG CYS A 26 61.987 -71.278 55.501 1.00 0.00 S ATOM 0 H CYS A 26 58.625 -70.965 53.254 1.00 0.00 H new ATOM 0 HA CYS A 26 61.229 -70.000 53.310 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.687 -71.641 54.870 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.743 -72.836 54.144 1.00 0.00 H new ATOM 393 N LYS A 27 60.888 -72.746 51.494 1.00 0.00 N ATOM 394 CA LYS A 27 61.543 -73.560 50.475 1.00 0.00 C ATOM 395 C LYS A 27 61.790 -72.742 49.212 1.00 0.00 C ATOM 396 O LYS A 27 62.912 -72.681 48.710 1.00 0.00 O ATOM 397 CB LYS A 27 60.675 -74.774 50.138 1.00 0.00 C ATOM 398 CG LYS A 27 60.451 -75.607 51.401 1.00 0.00 C ATOM 399 CD LYS A 27 59.570 -76.813 51.068 1.00 0.00 C ATOM 400 CE LYS A 27 58.975 -77.382 52.356 1.00 0.00 C ATOM 401 NZ LYS A 27 57.652 -76.747 52.615 1.00 0.00 N ATOM 0 H LYS A 27 59.945 -73.048 51.738 1.00 0.00 H new ATOM 0 HA LYS A 27 62.502 -73.898 50.868 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.718 -74.448 49.730 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.159 -75.379 49.371 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.407 -75.942 51.803 1.00 0.00 H new ATOM 0 HG3 LYS A 27 59.977 -74.999 52.171 1.00 0.00 H new ATOM 0 HD2 LYS A 27 58.773 -76.517 50.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 60.158 -77.576 50.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.861 -78.463 52.270 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.649 -77.198 53.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.115 -77.326 53.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 57.795 -75.796 53.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 57.121 -76.675 51.724 1.00 0.00 H new ATOM 415 N LEU A 28 60.735 -72.116 48.701 1.00 0.00 N ATOM 416 CA LEU A 28 60.840 -71.341 47.469 1.00 0.00 C ATOM 417 C LEU A 28 61.944 -70.295 47.585 1.00 0.00 C ATOM 418 O LEU A 28 62.558 -69.914 46.589 1.00 0.00 O ATOM 419 CB LEU A 28 59.509 -70.649 47.171 1.00 0.00 C ATOM 420 CG LEU A 28 58.407 -71.701 47.038 1.00 0.00 C ATOM 421 CD1 LEU A 28 57.051 -71.006 46.896 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.671 -72.562 45.801 1.00 0.00 C ATOM 0 H LEU A 28 59.804 -72.129 49.117 1.00 0.00 H new ATOM 0 HA LEU A 28 61.085 -72.023 46.655 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.264 -69.949 47.970 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.586 -70.069 46.251 1.00 0.00 H new ATOM 0 HG LEU A 28 58.399 -72.333 47.926 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.266 -71.756 46.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.862 -70.393 47.777 1.00 0.00 H new ATOM 0 HD13 LEU A 28 57.058 -70.373 46.008 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.886 -73.312 45.706 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.679 -71.930 44.913 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.636 -73.058 45.902 1.00 0.00 H new ATOM 434 N ASP A 29 62.191 -69.834 48.807 1.00 0.00 N ATOM 435 CA ASP A 29 63.190 -68.796 49.033 1.00 0.00 C ATOM 436 C ASP A 29 64.547 -69.416 49.349 1.00 0.00 C ATOM 437 O ASP A 29 65.559 -69.059 48.747 1.00 0.00 O ATOM 438 CB ASP A 29 62.755 -67.896 50.192 1.00 0.00 C ATOM 439 CG ASP A 29 61.424 -67.229 49.863 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.178 -66.987 48.692 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.670 -66.971 50.786 1.00 0.00 O ATOM 0 H ASP A 29 61.717 -70.160 49.650 1.00 0.00 H new ATOM 0 HA ASP A 29 63.279 -68.201 48.124 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.660 -68.485 51.105 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.515 -67.137 50.379 1.00 0.00 H new ATOM 446 N LYS A 30 64.560 -70.348 50.297 1.00 0.00 N ATOM 447 CA LYS A 30 65.810 -70.950 50.745 1.00 0.00 C ATOM 448 C LYS A 30 65.875 -72.419 50.338 1.00 0.00 C ATOM 449 O LYS A 30 66.949 -73.019 50.314 1.00 0.00 O ATOM 450 CB LYS A 30 65.930 -70.833 52.266 1.00 0.00 C ATOM 451 CG LYS A 30 65.993 -69.357 52.662 1.00 0.00 C ATOM 452 CD LYS A 30 67.440 -68.865 52.576 1.00 0.00 C ATOM 453 CE LYS A 30 67.531 -67.444 53.134 1.00 0.00 C ATOM 454 NZ LYS A 30 68.962 -67.071 53.314 1.00 0.00 N ATOM 0 H LYS A 30 63.726 -70.700 50.766 1.00 0.00 H new ATOM 0 HA LYS A 30 66.637 -70.418 50.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.077 -71.313 52.746 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.824 -71.351 52.612 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.357 -68.766 52.003 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.613 -69.225 53.675 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.095 -69.530 53.138 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.780 -68.883 51.541 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.044 -66.744 52.455 1.00 0.00 H new ATOM 0 HE3 LYS A 30 67.005 -67.382 54.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.063 -66.038 53.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.288 -67.387 54.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.535 -67.527 52.576 1.00 0.00 H new ATOM 468 N HIS A 31 64.719 -72.991 50.021 1.00 0.00 N ATOM 469 CA HIS A 31 64.656 -74.390 49.614 1.00 0.00 C ATOM 470 C HIS A 31 65.028 -75.304 50.776 1.00 0.00 C ATOM 471 O HIS A 31 65.989 -76.069 50.694 1.00 0.00 O ATOM 472 CB HIS A 31 65.610 -74.636 48.443 1.00 0.00 C ATOM 473 CG HIS A 31 65.307 -73.666 47.336 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.606 -72.335 47.175 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.603 -74.035 46.201 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 65.096 -71.885 45.961 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.501 -72.949 45.414 1.00 0.00 N flip ATOM 0 H HIS A 31 63.819 -72.512 50.038 1.00 0.00 H new ATOM 0 HA HIS A 31 63.635 -74.613 49.304 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.643 -74.519 48.771 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.504 -75.659 48.083 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.208 -75.017 45.987 1.00 0.00 H new ATOM 0 HE1 HIS A 31 65.166 -70.889 45.549 1.00 0.00 H new ATOM 0 HE2 HIS A 31 64.028 -72.939 44.511 1.00 0.00 H new ATOM 485 N ALA A 32 64.261 -75.220 51.858 1.00 0.00 N ATOM 486 CA ALA A 32 64.508 -76.060 53.024 1.00 0.00 C ATOM 487 C ALA A 32 63.603 -77.288 53.000 1.00 0.00 C ATOM 488 O ALA A 32 62.985 -77.595 51.981 1.00 0.00 O ATOM 489 CB ALA A 32 64.256 -75.263 54.305 1.00 0.00 C ATOM 0 H ALA A 32 63.469 -74.584 51.952 1.00 0.00 H new ATOM 0 HA ALA A 32 65.547 -76.388 52.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.443 -75.898 55.171 1.00 0.00 H new ATOM 0 HB2 ALA A 32 64.924 -74.402 54.335 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.221 -74.920 54.323 1.00 0.00 H new ATOM 495 N ARG A 33 63.530 -77.986 54.128 1.00 0.00 N ATOM 496 CA ARG A 33 62.691 -79.175 54.226 1.00 0.00 C ATOM 497 C ARG A 33 61.251 -78.791 54.551 1.00 0.00 C ATOM 498 O ARG A 33 60.315 -79.240 53.892 1.00 0.00 O ATOM 499 CB ARG A 33 63.231 -80.107 55.312 1.00 0.00 C ATOM 500 CG ARG A 33 64.734 -80.310 55.111 1.00 0.00 C ATOM 501 CD ARG A 33 64.966 -81.462 54.130 1.00 0.00 C ATOM 502 NE ARG A 33 66.277 -81.334 53.504 1.00 0.00 N ATOM 503 CZ ARG A 33 67.375 -81.767 54.114 1.00 0.00 C ATOM 504 NH1 ARG A 33 67.292 -82.318 55.294 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.537 -81.642 53.533 1.00 0.00 N ATOM 0 H ARG A 33 64.037 -77.752 54.981 1.00 0.00 H new ATOM 0 HA ARG A 33 62.709 -79.689 53.265 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.039 -79.683 56.298 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.715 -81.066 55.272 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.187 -79.396 54.729 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.213 -80.529 56.065 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.897 -82.415 54.654 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.188 -81.461 53.366 1.00 0.00 H new ATOM 0 HE ARG A 33 66.352 -80.905 52.582 1.00 0.00 H new ATOM 0 HH11 ARG A 33 66.384 -82.416 55.748 1.00 0.00 H new ATOM 0 HH12 ARG A 33 68.135 -82.650 55.762 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.602 -81.212 52.610 1.00 0.00 H new ATOM 0 HH22 ARG A 33 69.380 -81.974 54.001 1.00 0.00 H new ATOM 519 N SER A 34 61.082 -77.957 55.573 1.00 0.00 N ATOM 520 CA SER A 34 59.752 -77.503 55.963 1.00 0.00 C ATOM 521 C SER A 34 59.704 -75.981 56.034 1.00 0.00 C ATOM 522 O SER A 34 59.209 -75.322 55.119 1.00 0.00 O ATOM 523 CB SER A 34 59.378 -78.092 57.323 1.00 0.00 C ATOM 524 OG SER A 34 59.112 -79.481 57.177 1.00 0.00 O ATOM 0 H SER A 34 61.843 -77.585 56.142 1.00 0.00 H new ATOM 0 HA SER A 34 59.038 -77.842 55.212 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.190 -77.938 58.034 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.502 -77.583 57.724 1.00 0.00 H new ATOM 0 HG SER A 34 59.277 -79.937 58.029 1.00 0.00 H new ATOM 530 N GLY A 35 60.219 -75.427 57.127 1.00 0.00 N ATOM 531 CA GLY A 35 60.249 -73.979 57.297 1.00 0.00 C ATOM 532 C GLY A 35 58.959 -73.481 57.939 1.00 0.00 C ATOM 533 O GLY A 35 58.280 -72.609 57.395 1.00 0.00 O ATOM 0 H GLY A 35 60.619 -75.955 57.903 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.101 -73.699 57.917 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.388 -73.498 56.329 1.00 0.00 H new ATOM 537 N GLU A 36 58.627 -74.040 59.098 1.00 0.00 N ATOM 538 CA GLU A 36 57.408 -73.655 59.799 1.00 0.00 C ATOM 539 C GLU A 36 57.605 -72.334 60.535 1.00 0.00 C ATOM 540 O GLU A 36 58.720 -71.815 60.611 1.00 0.00 O ATOM 541 CB GLU A 36 57.015 -74.745 60.800 1.00 0.00 C ATOM 542 CG GLU A 36 56.747 -76.053 60.052 1.00 0.00 C ATOM 543 CD GLU A 36 55.528 -75.897 59.149 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.765 -74.972 59.372 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.377 -76.704 58.248 1.00 0.00 O ATOM 0 H GLU A 36 59.180 -74.756 59.569 1.00 0.00 H new ATOM 0 HA GLU A 36 56.613 -73.532 59.064 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.812 -74.888 61.530 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.126 -74.442 61.354 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.618 -76.326 59.457 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.581 -76.861 60.764 1.00 0.00 H new ATOM 552 N CYS A 37 56.517 -71.794 61.076 1.00 0.00 N ATOM 553 CA CYS A 37 56.578 -70.520 61.781 1.00 0.00 C ATOM 554 C CYS A 37 57.048 -70.725 63.217 1.00 0.00 C ATOM 555 O CYS A 37 56.820 -71.780 63.810 1.00 0.00 O ATOM 556 CB CYS A 37 55.220 -69.837 61.879 1.00 0.00 C ATOM 557 SG CYS A 37 54.569 -69.513 60.222 1.00 0.00 S ATOM 0 H CYS A 37 55.589 -72.216 61.040 1.00 0.00 H new ATOM 0 HA CYS A 37 57.267 -69.902 61.205 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.526 -70.468 62.434 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.313 -68.902 62.431 1.00 0.00 H new ATOM 562 N PHE A 38 57.706 -69.712 63.771 1.00 0.00 N ATOM 563 CA PHE A 38 58.166 -69.777 65.153 1.00 0.00 C ATOM 564 C PHE A 38 58.018 -68.420 65.833 1.00 0.00 C ATOM 565 O PHE A 38 58.159 -67.377 65.195 1.00 0.00 O ATOM 566 CB PHE A 38 59.632 -70.213 65.196 1.00 0.00 C ATOM 567 CG PHE A 38 59.727 -71.687 64.879 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.693 -72.120 63.547 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.850 -72.621 65.914 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.782 -73.484 63.253 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.938 -73.986 65.620 1.00 0.00 C ATOM 572 CZ PHE A 38 59.904 -74.418 64.289 1.00 0.00 C ATOM 0 H PHE A 38 57.931 -68.842 63.288 1.00 0.00 H new ATOM 0 HA PHE A 38 57.554 -70.506 65.685 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.215 -69.637 64.478 1.00 0.00 H new ATOM 0 HB3 PHE A 38 60.053 -70.014 66.181 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.598 -71.400 62.747 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.877 -72.288 66.941 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.757 -73.817 62.226 1.00 0.00 H new ATOM 0 HE2 PHE A 38 60.032 -74.706 66.420 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.972 -75.472 64.061 1.00 0.00 H new ATOM 582 N TYR A 39 57.732 -68.442 67.131 1.00 0.00 N ATOM 583 CA TYR A 39 57.553 -67.206 67.885 1.00 0.00 C ATOM 584 C TYR A 39 58.869 -66.774 68.525 1.00 0.00 C ATOM 585 O TYR A 39 59.352 -67.409 69.462 1.00 0.00 O ATOM 586 CB TYR A 39 56.496 -67.408 68.973 1.00 0.00 C ATOM 587 CG TYR A 39 55.145 -67.610 68.331 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.894 -68.761 67.575 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.142 -66.646 68.490 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.640 -68.950 66.978 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.889 -66.834 67.896 1.00 0.00 C ATOM 592 CZ TYR A 39 52.638 -67.986 67.140 1.00 0.00 C ATOM 593 OH TYR A 39 51.402 -68.170 66.553 1.00 0.00 O ATOM 0 H TYR A 39 57.620 -69.295 67.679 1.00 0.00 H new ATOM 0 HA TYR A 39 57.223 -66.427 67.198 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.751 -68.272 69.587 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.470 -66.542 69.635 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.668 -69.504 67.452 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.336 -65.757 69.071 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.447 -69.838 66.394 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.115 -66.091 68.021 1.00 0.00 H new ATOM 0 HH TYR A 39 50.823 -67.409 66.765 1.00 0.00 H new ATOM 603 N ASP A 40 59.443 -65.691 68.012 1.00 0.00 N ATOM 604 CA ASP A 40 60.699 -65.177 68.548 1.00 0.00 C ATOM 605 C ASP A 40 60.438 -64.251 69.730 1.00 0.00 C ATOM 606 O ASP A 40 59.459 -64.417 70.458 1.00 0.00 O ATOM 607 CB ASP A 40 61.459 -64.417 67.459 1.00 0.00 C ATOM 608 CG ASP A 40 61.783 -65.352 66.298 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.700 -66.554 66.490 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.108 -64.852 65.234 1.00 0.00 O ATOM 0 H ASP A 40 59.063 -65.155 67.232 1.00 0.00 H new ATOM 0 HA ASP A 40 61.299 -66.021 68.888 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.860 -63.578 67.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.379 -64.001 67.869 1.00 0.00 H new ATOM 615 N GLU A 41 61.322 -63.276 69.918 1.00 0.00 N ATOM 616 CA GLU A 41 61.177 -62.327 71.016 1.00 0.00 C ATOM 617 C GLU A 41 60.163 -61.246 70.660 1.00 0.00 C ATOM 618 O GLU A 41 59.351 -60.844 71.494 1.00 0.00 O ATOM 619 CB GLU A 41 62.527 -61.680 71.329 1.00 0.00 C ATOM 620 CG GLU A 41 63.303 -61.462 70.029 1.00 0.00 C ATOM 621 CD GLU A 41 64.013 -62.749 69.624 1.00 0.00 C ATOM 622 OE1 GLU A 41 63.810 -63.750 70.291 1.00 0.00 O ATOM 623 OE2 GLU A 41 64.750 -62.716 68.651 1.00 0.00 O ATOM 0 H GLU A 41 62.141 -63.123 69.329 1.00 0.00 H new ATOM 0 HA GLU A 41 60.821 -62.867 71.893 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.377 -60.728 71.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 63.099 -62.316 72.004 1.00 0.00 H new ATOM 0 HG2 GLU A 41 62.622 -61.148 69.238 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.031 -60.661 70.160 1.00 0.00 H new ATOM 630 N LYS A 42 60.215 -60.778 69.417 1.00 0.00 N ATOM 631 CA LYS A 42 59.292 -59.746 68.960 1.00 0.00 C ATOM 632 C LYS A 42 57.883 -60.311 68.818 1.00 0.00 C ATOM 633 O LYS A 42 56.964 -59.613 68.389 1.00 0.00 O ATOM 634 CB LYS A 42 59.758 -59.188 67.614 1.00 0.00 C ATOM 635 CG LYS A 42 61.137 -58.546 67.778 1.00 0.00 C ATOM 636 CD LYS A 42 61.562 -57.904 66.455 1.00 0.00 C ATOM 637 CE LYS A 42 62.997 -57.389 66.575 1.00 0.00 C ATOM 638 NZ LYS A 42 63.939 -58.544 66.582 1.00 0.00 N ATOM 0 H LYS A 42 60.882 -61.094 68.713 1.00 0.00 H new ATOM 0 HA LYS A 42 59.277 -58.946 69.700 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.802 -59.986 66.873 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.043 -58.451 67.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.108 -57.794 68.567 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.866 -59.298 68.081 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.492 -58.632 65.647 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.890 -57.083 66.204 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.227 -56.723 65.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 63.111 -56.807 67.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.898 -58.211 66.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.938 -58.987 67.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.639 -59.241 65.870 1.00 0.00 H new ATOM 652 N ARG A 43 57.719 -61.578 69.182 1.00 0.00 N ATOM 653 CA ARG A 43 56.416 -62.227 69.092 1.00 0.00 C ATOM 654 C ARG A 43 55.883 -62.162 67.665 1.00 0.00 C ATOM 655 O ARG A 43 54.674 -62.084 67.446 1.00 0.00 O ATOM 656 CB ARG A 43 55.427 -61.546 70.039 1.00 0.00 C ATOM 657 CG ARG A 43 56.121 -61.238 71.368 1.00 0.00 C ATOM 658 CD ARG A 43 56.718 -62.524 71.941 1.00 0.00 C ATOM 659 NE ARG A 43 55.845 -63.656 71.657 1.00 0.00 N ATOM 660 CZ ARG A 43 54.791 -63.921 72.424 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.525 -63.161 73.451 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.025 -64.941 72.149 1.00 0.00 N ATOM 0 H ARG A 43 58.466 -62.173 69.540 1.00 0.00 H new ATOM 0 HA ARG A 43 56.531 -63.273 69.378 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.053 -60.626 69.590 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.565 -62.192 70.208 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.905 -60.496 71.218 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.408 -60.810 72.072 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.704 -62.699 71.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.854 -62.422 73.018 1.00 0.00 H new ATOM 0 HE ARG A 43 56.046 -64.255 70.856 1.00 0.00 H new ATOM 0 HH11 ARG A 43 55.125 -62.364 73.665 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.717 -63.364 74.040 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.235 -65.534 71.346 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.217 -65.145 72.737 1.00 0.00 H new ATOM 676 N ASN A 44 56.793 -62.195 66.696 1.00 0.00 N ATOM 677 CA ASN A 44 56.401 -62.143 65.292 1.00 0.00 C ATOM 678 C ASN A 44 56.653 -63.486 64.615 1.00 0.00 C ATOM 679 O ASN A 44 57.794 -63.937 64.514 1.00 0.00 O ATOM 680 CB ASN A 44 57.193 -61.049 64.570 1.00 0.00 C ATOM 681 CG ASN A 44 58.640 -61.489 64.385 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.232 -62.077 65.290 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.248 -61.240 63.258 1.00 0.00 N ATOM 0 H ASN A 44 57.799 -62.257 66.855 1.00 0.00 H new ATOM 0 HA ASN A 44 55.336 -61.917 65.239 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.741 -60.841 63.600 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.156 -60.123 65.144 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.216 -61.533 63.125 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.755 -60.753 62.510 1.00 0.00 H new ATOM 690 N LEU A 45 55.580 -64.121 64.154 1.00 0.00 N ATOM 691 CA LEU A 45 55.697 -65.412 63.485 1.00 0.00 C ATOM 692 C LEU A 45 56.827 -65.383 62.461 1.00 0.00 C ATOM 693 O LEU A 45 56.756 -64.663 61.464 1.00 0.00 O ATOM 694 CB LEU A 45 54.382 -65.759 62.786 1.00 0.00 C ATOM 695 CG LEU A 45 53.207 -65.341 63.672 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.891 -65.670 62.964 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.274 -66.100 64.998 1.00 0.00 C ATOM 0 H LEU A 45 54.627 -63.766 64.230 1.00 0.00 H new ATOM 0 HA LEU A 45 55.920 -66.170 64.235 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.324 -65.251 61.824 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.336 -66.829 62.584 1.00 0.00 H new ATOM 0 HG LEU A 45 53.259 -64.269 63.862 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.054 -65.372 63.595 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.842 -65.131 62.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.838 -66.742 62.774 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.437 -65.803 65.630 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.222 -67.172 64.807 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.211 -65.867 65.504 1.00 0.00 H new ATOM 709 N GLN A 46 57.868 -66.169 62.713 1.00 0.00 N ATOM 710 CA GLN A 46 59.008 -66.226 61.805 1.00 0.00 C ATOM 711 C GLN A 46 59.188 -67.638 61.258 1.00 0.00 C ATOM 712 O GLN A 46 59.047 -68.620 61.988 1.00 0.00 O ATOM 713 CB GLN A 46 60.280 -65.794 62.537 1.00 0.00 C ATOM 714 CG GLN A 46 60.118 -64.357 63.037 1.00 0.00 C ATOM 715 CD GLN A 46 61.358 -63.541 62.688 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.239 -62.482 61.934 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.464 -63.876 63.112 1.00 0.00 N flip ATOM 0 H GLN A 46 57.946 -66.771 63.532 1.00 0.00 H new ATOM 0 HA GLN A 46 58.820 -65.548 60.973 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.474 -66.462 63.376 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.138 -65.863 61.869 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.235 -63.904 62.586 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.962 -64.354 64.116 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.555 -64.704 63.701 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.289 -63.326 62.874 1.00 0.00 H new ATOM 726 N CYS A 47 59.499 -67.733 59.969 1.00 0.00 N ATOM 727 CA CYS A 47 59.715 -69.030 59.340 1.00 0.00 C ATOM 728 C CYS A 47 61.143 -69.511 59.574 1.00 0.00 C ATOM 729 O CYS A 47 62.105 -68.819 59.235 1.00 0.00 O ATOM 730 CB CYS A 47 59.466 -68.939 57.830 1.00 0.00 C ATOM 731 SG CYS A 47 57.694 -68.791 57.496 1.00 0.00 S ATOM 0 H CYS A 47 59.606 -66.934 59.344 1.00 0.00 H new ATOM 0 HA CYS A 47 59.016 -69.738 59.786 1.00 0.00 H new ATOM 0 HB2 CYS A 47 59.994 -68.079 57.418 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.864 -69.825 57.335 1.00 0.00 H new ATOM 736 N ILE A 48 61.275 -70.698 60.157 1.00 0.00 N ATOM 737 CA ILE A 48 62.593 -71.262 60.431 1.00 0.00 C ATOM 738 C ILE A 48 62.905 -72.393 59.456 1.00 0.00 C ATOM 739 O ILE A 48 62.526 -73.542 59.683 1.00 0.00 O ATOM 740 CB ILE A 48 62.646 -71.792 61.864 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.535 -70.622 62.844 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.973 -72.520 62.090 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.707 -71.136 64.275 1.00 0.00 C ATOM 0 H ILE A 48 60.493 -71.285 60.447 1.00 0.00 H new ATOM 0 HA ILE A 48 63.337 -70.475 60.307 1.00 0.00 H new ATOM 0 HB ILE A 48 61.819 -72.483 62.026 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.296 -69.874 62.621 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.566 -70.134 62.736 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.011 -72.898 63.112 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.055 -73.353 61.392 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.800 -71.828 61.928 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.628 -70.303 64.973 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.930 -71.868 64.495 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.686 -71.604 64.378 1.00 0.00 H new ATOM 755 N CYS A 49 63.596 -72.060 58.371 1.00 0.00 N ATOM 756 CA CYS A 49 63.968 -73.060 57.378 1.00 0.00 C ATOM 757 C CYS A 49 64.892 -74.108 57.992 1.00 0.00 C ATOM 758 O CYS A 49 66.039 -73.815 58.333 1.00 0.00 O ATOM 759 CB CYS A 49 64.707 -72.391 56.218 1.00 0.00 C ATOM 760 SG CYS A 49 63.619 -72.226 54.781 1.00 0.00 S ATOM 0 H CYS A 49 63.908 -71.112 58.158 1.00 0.00 H new ATOM 0 HA CYS A 49 63.056 -73.538 57.022 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.064 -71.408 56.526 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.585 -72.980 55.951 1.00 0.00 H new ATOM 765 N ASP A 50 64.385 -75.328 58.132 1.00 0.00 N ATOM 766 CA ASP A 50 65.177 -76.413 58.699 1.00 0.00 C ATOM 767 C ASP A 50 65.765 -77.281 57.591 1.00 0.00 C ATOM 768 O ASP A 50 65.046 -77.753 56.710 1.00 0.00 O ATOM 769 CB ASP A 50 64.304 -77.273 59.615 1.00 0.00 C ATOM 770 CG ASP A 50 63.204 -77.949 58.805 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.461 -78.290 57.662 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.119 -78.115 59.338 1.00 0.00 O ATOM 0 H ASP A 50 63.436 -75.589 57.863 1.00 0.00 H new ATOM 0 HA ASP A 50 65.993 -75.980 59.278 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.916 -78.026 60.112 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.863 -76.654 60.397 1.00 0.00 H new ATOM 777 N TYR A 51 67.076 -77.489 57.643 1.00 0.00 N ATOM 778 CA TYR A 51 67.747 -78.321 56.651 1.00 0.00 C ATOM 779 C TYR A 51 68.123 -79.672 57.251 1.00 0.00 C ATOM 780 O TYR A 51 69.303 -80.013 57.348 1.00 0.00 O ATOM 781 CB TYR A 51 69.007 -77.617 56.144 1.00 0.00 C ATOM 782 CG TYR A 51 68.619 -76.528 55.174 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.275 -75.257 55.649 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.603 -76.789 53.799 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.915 -74.247 54.748 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.244 -75.780 52.898 1.00 0.00 C ATOM 787 CZ TYR A 51 67.900 -74.508 53.373 1.00 0.00 C ATOM 788 OH TYR A 51 67.545 -73.513 52.486 1.00 0.00 O ATOM 0 H TYR A 51 67.691 -77.096 58.356 1.00 0.00 H new ATOM 0 HA TYR A 51 67.063 -78.484 55.818 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.561 -77.193 56.981 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.666 -78.335 55.656 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.287 -75.055 56.710 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.868 -77.770 53.433 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.649 -73.266 55.114 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.232 -75.982 51.837 1.00 0.00 H new ATOM 0 HH TYR A 51 67.525 -73.877 51.576 1.00 0.00 H new ATOM 798 N CYS A 52 67.115 -80.439 57.653 1.00 0.00 N ATOM 799 CA CYS A 52 67.353 -81.753 58.241 1.00 0.00 C ATOM 800 C CYS A 52 66.041 -82.516 58.396 1.00 0.00 C ATOM 801 O CYS A 52 64.994 -82.072 57.925 1.00 0.00 O ATOM 802 CB CYS A 52 68.022 -81.599 59.608 1.00 0.00 C ATOM 803 SG CYS A 52 69.812 -81.437 59.389 1.00 0.00 S ATOM 0 H CYS A 52 66.132 -80.176 57.583 1.00 0.00 H new ATOM 0 HA CYS A 52 68.010 -82.315 57.577 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.627 -80.722 60.121 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.798 -82.463 60.234 1.00 0.00 H new ATOM 808 N GLU A 53 66.108 -83.666 59.060 1.00 0.00 N ATOM 809 CA GLU A 53 64.919 -84.483 59.272 1.00 0.00 C ATOM 810 C GLU A 53 64.269 -84.148 60.610 1.00 0.00 C ATOM 811 O GLU A 53 64.451 -84.863 61.595 1.00 0.00 O ATOM 812 CB GLU A 53 65.293 -85.967 59.241 1.00 0.00 C ATOM 813 CG GLU A 53 65.863 -86.322 57.866 1.00 0.00 C ATOM 814 CD GLU A 53 64.779 -86.186 56.802 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.617 -86.147 57.170 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.129 -86.122 55.634 1.00 0.00 O ATOM 0 H GLU A 53 66.965 -84.050 59.457 1.00 0.00 H new ATOM 0 HA GLU A 53 64.208 -84.270 58.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.027 -86.184 60.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.416 -86.578 59.451 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.701 -85.666 57.630 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.249 -87.341 57.875 1.00 0.00 H new ATOM 823 N TYR A 54 63.511 -83.057 60.638 1.00 0.00 N ATOM 824 CA TYR A 54 62.833 -82.640 61.859 1.00 0.00 C ATOM 825 C TYR A 54 63.748 -82.818 63.067 1.00 0.00 C ATOM 826 CB TYR A 54 61.559 -83.465 62.057 1.00 0.00 C ATOM 827 CG TYR A 54 60.578 -83.146 60.954 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.652 -82.109 61.119 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.593 -83.888 59.767 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.742 -81.814 60.097 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.683 -83.593 58.745 1.00 0.00 C ATOM 832 CZ TYR A 54 58.758 -82.556 58.910 1.00 0.00 C ATOM 833 OH TYR A 54 57.860 -82.265 57.903 1.00 0.00 O ATOM 0 H TYR A 54 63.352 -82.449 59.835 1.00 0.00 H new ATOM 0 HA TYR A 54 62.573 -81.586 61.766 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.797 -84.529 62.051 1.00 0.00 H new ATOM 0 HB3 TYR A 54 61.116 -83.243 63.028 1.00 0.00 H new ATOM 0 HD1 TYR A 54 59.640 -81.537 62.035 1.00 0.00 H new ATOM 0 HD2 TYR A 54 61.307 -84.688 59.640 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.028 -81.014 60.224 1.00 0.00 H new ATOM 0 HE2 TYR A 54 59.695 -84.166 57.829 1.00 0.00 H new ATOM 0 HH TYR A 54 58.165 -81.474 57.411 1.00 0.00 H new TER 843 TYR A 54