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 160:sc= 1.13 USER MOD Set 1.2: A 54 TYR OH : rot 30:sc= 1.01 USER MOD Set 2.1: A 44 ASN : amide:sc= -1.27 K(o=-2.4,f=-7.7!) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -1.15! C(o=-10!,f=-2.4!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -170:sc= 0.0566 (180deg=-0.0927) USER MOD Set 3.2: A 51 TYR OH : rot -175:sc= -0.718 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.0881 (180deg=-0.543) USER MOD Single : A 8 TYR OH : rot 49:sc= -3.55! USER MOD Single : A 10 ASN : amide:sc= -2! C(o=-2!,f=-5.9!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0.976 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= -0.0758 (180deg=-0.181) USER MOD Single : A 17 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0404 K(o=-0.04,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 23 ASN : amide:sc= -10.9! C(o=-11!,f=-27!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.0487 (180deg=0.0485) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 68.448 -77.859 65.969 1.00 0.00 N ATOM 2 CA ASP A 2 69.870 -78.072 65.729 1.00 0.00 C ATOM 3 C ASP A 2 70.417 -77.016 64.773 1.00 0.00 C ATOM 4 O ASP A 2 69.776 -75.993 64.532 1.00 0.00 O ATOM 5 CB ASP A 2 70.098 -79.464 65.138 1.00 0.00 C ATOM 6 CG ASP A 2 69.362 -79.592 63.808 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.918 -78.576 63.299 1.00 0.00 O ATOM 8 OD2 ASP A 2 69.255 -80.705 63.318 1.00 0.00 O ATOM 0 HA ASP A 2 70.395 -77.991 66.681 1.00 0.00 H new ATOM 0 HB2 ASP A 2 71.164 -79.636 64.991 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.745 -80.226 65.833 1.00 0.00 H new ATOM 13 N LYS A 3 71.603 -77.271 64.232 1.00 0.00 N ATOM 14 CA LYS A 3 72.227 -76.335 63.306 1.00 0.00 C ATOM 15 C LYS A 3 71.406 -76.221 62.025 1.00 0.00 C ATOM 16 O LYS A 3 71.429 -75.192 61.350 1.00 0.00 O ATOM 17 CB LYS A 3 73.645 -76.801 62.966 1.00 0.00 C ATOM 18 CG LYS A 3 73.576 -78.112 62.181 1.00 0.00 C ATOM 19 CD LYS A 3 74.988 -78.673 62.001 1.00 0.00 C ATOM 20 CE LYS A 3 74.959 -79.810 60.977 1.00 0.00 C ATOM 21 NZ LYS A 3 76.349 -80.278 60.714 1.00 0.00 N ATOM 0 H LYS A 3 72.148 -78.113 64.417 1.00 0.00 H new ATOM 0 HA LYS A 3 72.272 -75.356 63.784 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.159 -76.040 62.379 1.00 0.00 H new ATOM 0 HB3 LYS A 3 74.222 -76.942 63.880 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.951 -78.832 62.709 1.00 0.00 H new ATOM 0 HG3 LYS A 3 73.114 -77.942 61.209 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.664 -77.886 61.667 1.00 0.00 H new ATOM 0 HD3 LYS A 3 75.370 -79.038 62.954 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.351 -80.634 61.350 1.00 0.00 H new ATOM 0 HE3 LYS A 3 74.498 -79.468 60.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 76.329 -81.051 60.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 76.916 -79.490 60.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 76.773 -80.620 61.600 1.00 0.00 H new ATOM 35 N CYS A 4 70.682 -77.286 61.697 1.00 0.00 N ATOM 36 CA CYS A 4 69.857 -77.294 60.493 1.00 0.00 C ATOM 37 C CYS A 4 68.685 -76.337 60.596 1.00 0.00 C ATOM 38 O CYS A 4 67.612 -76.704 60.117 1.00 0.00 O ATOM 39 CB CYS A 4 69.257 -78.685 60.283 1.00 0.00 C ATOM 40 SG CYS A 4 70.552 -79.937 60.469 1.00 0.00 S ATOM 0 H CYS A 4 70.649 -78.148 62.242 1.00 0.00 H new ATOM 0 HA CYS A 4 70.509 -76.997 59.672 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.460 -78.861 61.005 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.810 -78.754 59.291 1.00 0.00 H new ATOM 45 N LYS A 5 68.841 -75.171 61.214 1.00 0.00 N ATOM 46 CA LYS A 5 67.727 -74.239 61.358 1.00 0.00 C ATOM 47 C LYS A 5 68.150 -72.831 60.955 1.00 0.00 C ATOM 48 O LYS A 5 69.229 -72.367 61.321 1.00 0.00 O ATOM 49 CB LYS A 5 67.236 -74.233 62.807 1.00 0.00 C ATOM 50 CG LYS A 5 66.989 -75.670 63.270 1.00 0.00 C ATOM 51 CD LYS A 5 65.723 -76.210 62.603 1.00 0.00 C ATOM 52 CE LYS A 5 65.302 -77.514 63.285 1.00 0.00 C ATOM 53 NZ LYS A 5 64.803 -77.217 64.657 1.00 0.00 N ATOM 0 H LYS A 5 69.720 -74.850 61.620 1.00 0.00 H new ATOM 0 HA LYS A 5 66.919 -74.563 60.702 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.975 -73.755 63.450 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.318 -73.651 62.888 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.843 -76.297 63.015 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.883 -75.701 64.354 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.921 -75.475 62.673 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.904 -76.384 61.542 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.524 -78.007 62.702 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.147 -78.201 63.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.149 -77.967 64.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.606 -77.172 65.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.305 -76.304 64.655 1.00 0.00 H new ATOM 67 N LYS A 6 67.293 -72.156 60.195 1.00 0.00 N ATOM 68 CA LYS A 6 67.571 -70.786 59.781 1.00 0.00 C ATOM 69 C LYS A 6 66.327 -69.916 59.934 1.00 0.00 C ATOM 70 O LYS A 6 65.316 -70.139 59.268 1.00 0.00 O ATOM 71 CB LYS A 6 68.033 -70.764 58.323 1.00 0.00 C ATOM 72 CG LYS A 6 69.488 -71.227 58.240 1.00 0.00 C ATOM 73 CD LYS A 6 69.766 -71.796 56.848 1.00 0.00 C ATOM 74 CE LYS A 6 69.406 -70.753 55.789 1.00 0.00 C ATOM 75 NZ LYS A 6 69.916 -71.198 54.460 1.00 0.00 N ATOM 0 H LYS A 6 66.407 -72.532 59.856 1.00 0.00 H new ATOM 0 HA LYS A 6 68.360 -70.388 60.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.399 -71.414 57.720 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.937 -69.758 57.915 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.158 -70.392 58.443 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.683 -71.984 58.999 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.817 -72.072 56.760 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.184 -72.704 56.692 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.325 -70.618 55.749 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.839 -69.788 56.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.824 -70.421 53.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.917 -71.468 54.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 69.363 -72.016 54.132 1.00 0.00 H new ATOM 89 N VAL A 7 66.408 -68.924 60.815 1.00 0.00 N ATOM 90 CA VAL A 7 65.265 -68.060 61.084 1.00 0.00 C ATOM 91 C VAL A 7 65.076 -67.054 59.952 1.00 0.00 C ATOM 92 O VAL A 7 66.044 -66.484 59.449 1.00 0.00 O ATOM 93 CB VAL A 7 65.472 -67.314 62.403 1.00 0.00 C ATOM 94 CG1 VAL A 7 66.641 -66.338 62.260 1.00 0.00 C ATOM 95 CG2 VAL A 7 64.201 -66.537 62.754 1.00 0.00 C ATOM 0 H VAL A 7 67.246 -68.700 61.351 1.00 0.00 H new ATOM 0 HA VAL A 7 64.373 -68.682 61.156 1.00 0.00 H new ATOM 0 HB VAL A 7 65.692 -68.031 63.194 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.788 -65.806 63.200 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.547 -66.890 62.009 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.422 -65.621 61.469 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.348 -66.005 63.694 1.00 0.00 H new ATOM 0 HG22 VAL A 7 63.982 -65.821 61.962 1.00 0.00 H new ATOM 0 HG23 VAL A 7 63.367 -67.231 62.856 1.00 0.00 H new ATOM 105 N TYR A 8 63.825 -66.843 59.556 1.00 0.00 N ATOM 106 CA TYR A 8 63.520 -65.878 58.507 1.00 0.00 C ATOM 107 C TYR A 8 63.396 -64.474 59.090 1.00 0.00 C ATOM 108 O TYR A 8 62.764 -64.275 60.128 1.00 0.00 O ATOM 109 CB TYR A 8 62.214 -66.261 57.809 1.00 0.00 C ATOM 110 CG TYR A 8 62.524 -67.027 56.545 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.394 -68.122 56.586 1.00 0.00 C ATOM 112 CD2 TYR A 8 61.942 -66.639 55.332 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.682 -68.831 55.413 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.229 -67.348 54.161 1.00 0.00 C ATOM 115 CZ TYR A 8 63.099 -68.445 54.200 1.00 0.00 C ATOM 116 OH TYR A 8 63.383 -69.143 53.044 1.00 0.00 O ATOM 0 H TYR A 8 63.012 -67.323 59.942 1.00 0.00 H new ATOM 0 HA TYR A 8 64.334 -65.887 57.783 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.599 -66.868 58.473 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.639 -65.365 57.572 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.843 -68.420 57.522 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.272 -65.793 55.301 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.354 -69.676 55.444 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.779 -67.049 53.226 1.00 0.00 H new ATOM 0 HH TYR A 8 63.275 -70.103 53.207 1.00 0.00 H new ATOM 126 N GLU A 9 64.001 -63.502 58.415 1.00 0.00 N ATOM 127 CA GLU A 9 63.939 -62.117 58.866 1.00 0.00 C ATOM 128 C GLU A 9 63.249 -61.243 57.823 1.00 0.00 C ATOM 129 O GLU A 9 63.514 -61.361 56.627 1.00 0.00 O ATOM 130 CB GLU A 9 65.350 -61.587 59.125 1.00 0.00 C ATOM 131 CG GLU A 9 66.090 -62.540 60.067 1.00 0.00 C ATOM 132 CD GLU A 9 66.672 -63.706 59.276 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.381 -63.799 58.095 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.402 -64.488 59.863 1.00 0.00 O ATOM 0 H GLU A 9 64.537 -63.646 57.559 1.00 0.00 H new ATOM 0 HA GLU A 9 63.363 -62.083 59.791 1.00 0.00 H new ATOM 0 HB2 GLU A 9 65.893 -61.494 58.185 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.300 -60.591 59.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.887 -62.007 60.585 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.407 -62.912 60.831 1.00 0.00 H new ATOM 141 N ASN A 10 62.363 -60.366 58.285 1.00 0.00 N ATOM 142 CA ASN A 10 61.653 -59.466 57.384 1.00 0.00 C ATOM 143 C ASN A 10 60.682 -60.246 56.503 1.00 0.00 C ATOM 144 O ASN A 10 60.767 -60.200 55.277 1.00 0.00 O ATOM 145 CB ASN A 10 62.651 -58.712 56.505 1.00 0.00 C ATOM 146 CG ASN A 10 63.873 -58.316 57.326 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.886 -58.488 58.545 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.909 -57.793 56.728 1.00 0.00 N ATOM 0 H ASN A 10 62.121 -60.260 59.270 1.00 0.00 H new ATOM 0 HA ASN A 10 61.088 -58.753 57.984 1.00 0.00 H new ATOM 0 HB2 ASN A 10 62.954 -59.338 55.665 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.180 -57.823 56.086 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.730 -57.526 57.271 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.897 -57.651 55.718 1.00 0.00 H new ATOM 155 N TYR A 11 59.758 -60.960 57.138 1.00 0.00 N ATOM 156 CA TYR A 11 58.754 -61.719 56.402 1.00 0.00 C ATOM 157 C TYR A 11 57.360 -61.441 56.957 1.00 0.00 C ATOM 158 O TYR A 11 57.203 -61.109 58.132 1.00 0.00 O ATOM 159 CB TYR A 11 59.054 -63.216 56.498 1.00 0.00 C ATOM 160 CG TYR A 11 59.911 -63.634 55.327 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.247 -63.222 55.254 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.368 -64.432 54.312 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.041 -63.609 54.167 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.162 -64.818 53.226 1.00 0.00 C ATOM 165 CZ TYR A 11 61.498 -64.407 53.154 1.00 0.00 C ATOM 166 OH TYR A 11 62.280 -64.788 52.082 1.00 0.00 O ATOM 0 H TYR A 11 59.684 -61.029 58.153 1.00 0.00 H new ATOM 0 HA TYR A 11 58.786 -61.410 55.357 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.567 -63.436 57.434 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.124 -63.785 56.503 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.665 -62.606 56.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.337 -64.749 54.367 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.072 -63.292 54.111 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.744 -65.433 52.443 1.00 0.00 H new ATOM 0 HH TYR A 11 61.750 -65.340 51.470 1.00 0.00 H new ATOM 176 N PRO A 12 56.357 -61.570 56.132 1.00 0.00 N ATOM 177 CA PRO A 12 54.945 -61.311 56.530 1.00 0.00 C ATOM 178 C PRO A 12 54.470 -62.266 57.622 1.00 0.00 C ATOM 179 O PRO A 12 54.522 -63.485 57.460 1.00 0.00 O ATOM 180 CB PRO A 12 54.130 -61.524 55.214 1.00 0.00 C ATOM 181 CG PRO A 12 55.026 -62.315 54.320 1.00 0.00 C ATOM 182 CD PRO A 12 56.465 -61.981 54.724 1.00 0.00 C ATOM 0 HA PRO A 12 54.822 -60.313 56.950 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.199 -62.057 55.409 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.862 -60.571 54.759 1.00 0.00 H new ATOM 0 HG2 PRO A 12 54.833 -63.382 54.426 1.00 0.00 H new ATOM 0 HG3 PRO A 12 54.850 -62.062 53.275 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.121 -62.844 54.610 1.00 0.00 H new ATOM 0 HD3 PRO A 12 56.877 -61.183 54.106 1.00 0.00 H new ATOM 190 N VAL A 13 54.006 -61.702 58.733 1.00 0.00 N ATOM 191 CA VAL A 13 53.515 -62.511 59.842 1.00 0.00 C ATOM 192 C VAL A 13 52.115 -63.037 59.543 1.00 0.00 C ATOM 193 O VAL A 13 51.820 -64.210 59.770 1.00 0.00 O ATOM 194 CB VAL A 13 53.486 -61.678 61.124 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.902 -61.205 61.458 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.577 -60.464 60.920 1.00 0.00 C ATOM 0 H VAL A 13 53.960 -60.695 58.888 1.00 0.00 H new ATOM 0 HA VAL A 13 54.188 -63.358 59.975 1.00 0.00 H new ATOM 0 HB VAL A 13 53.104 -62.285 61.945 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.881 -60.611 62.372 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.550 -62.070 61.602 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.285 -60.597 60.639 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.555 -59.869 61.833 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.960 -59.857 60.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.568 -60.801 60.682 1.00 0.00 H new ATOM 206 N SER A 14 51.256 -62.161 59.030 1.00 0.00 N ATOM 207 CA SER A 14 49.882 -62.542 58.725 1.00 0.00 C ATOM 208 C SER A 14 49.853 -63.811 57.881 1.00 0.00 C ATOM 209 O SER A 14 48.989 -64.669 58.061 1.00 0.00 O ATOM 210 CB SER A 14 49.182 -61.411 57.973 1.00 0.00 C ATOM 211 OG SER A 14 49.280 -60.211 58.730 1.00 0.00 O ATOM 0 H SER A 14 51.485 -61.190 58.818 1.00 0.00 H new ATOM 0 HA SER A 14 49.360 -62.731 59.663 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.638 -61.274 56.993 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.135 -61.664 57.805 1.00 0.00 H new ATOM 0 HG SER A 14 48.833 -59.483 58.249 1.00 0.00 H new ATOM 217 N LYS A 15 50.803 -63.924 56.959 1.00 0.00 N ATOM 218 CA LYS A 15 50.878 -65.094 56.092 1.00 0.00 C ATOM 219 C LYS A 15 51.348 -66.314 56.877 1.00 0.00 C ATOM 220 O LYS A 15 50.982 -67.446 56.563 1.00 0.00 O ATOM 221 CB LYS A 15 51.842 -64.826 54.935 1.00 0.00 C ATOM 222 CG LYS A 15 51.228 -63.794 53.986 1.00 0.00 C ATOM 223 CD LYS A 15 52.055 -63.726 52.701 1.00 0.00 C ATOM 224 CE LYS A 15 51.549 -62.577 51.827 1.00 0.00 C ATOM 225 NZ LYS A 15 51.997 -61.279 52.404 1.00 0.00 N ATOM 0 H LYS A 15 51.527 -63.225 56.793 1.00 0.00 H new ATOM 0 HA LYS A 15 49.882 -65.293 55.696 1.00 0.00 H new ATOM 0 HB2 LYS A 15 52.795 -64.461 55.319 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.048 -65.752 54.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.198 -64.065 53.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.200 -62.815 54.465 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.108 -63.578 52.941 1.00 0.00 H new ATOM 0 HD3 LYS A 15 51.982 -64.669 52.159 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.928 -62.685 50.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 50.461 -62.604 51.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 51.881 -60.526 51.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 51.425 -61.056 53.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 52.999 -61.347 52.676 1.00 0.00 H new ATOM 239 N CYS A 16 52.163 -66.075 57.899 1.00 0.00 N ATOM 240 CA CYS A 16 52.675 -67.161 58.726 1.00 0.00 C ATOM 241 C CYS A 16 51.529 -67.917 59.388 1.00 0.00 C ATOM 242 O CYS A 16 51.709 -69.031 59.880 1.00 0.00 O ATOM 243 CB CYS A 16 53.610 -66.604 59.800 1.00 0.00 C ATOM 244 SG CYS A 16 55.190 -67.484 59.742 1.00 0.00 S ATOM 0 H CYS A 16 52.481 -65.146 58.173 1.00 0.00 H new ATOM 0 HA CYS A 16 53.227 -67.850 58.086 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.770 -65.538 59.640 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.156 -66.714 60.785 1.00 0.00 H new ATOM 249 N GLN A 17 50.349 -67.306 59.394 1.00 0.00 N ATOM 250 CA GLN A 17 49.180 -67.930 60.002 1.00 0.00 C ATOM 251 C GLN A 17 48.810 -69.210 59.259 1.00 0.00 C ATOM 252 O GLN A 17 47.856 -69.898 59.623 1.00 0.00 O ATOM 253 CB GLN A 17 47.996 -66.961 59.973 1.00 0.00 C ATOM 254 CG GLN A 17 47.434 -66.882 58.552 1.00 0.00 C ATOM 255 CD GLN A 17 46.516 -65.672 58.420 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.822 -64.600 58.944 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.402 -65.779 57.748 1.00 0.00 N ATOM 0 H GLN A 17 50.177 -66.386 58.988 1.00 0.00 H new ATOM 0 HA GLN A 17 49.420 -68.179 61.036 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.222 -67.296 60.663 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.313 -65.973 60.305 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.250 -66.810 57.833 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.884 -67.793 58.319 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.151 -66.668 57.315 1.00 0.00 H new ATOM 0 HE22 GLN A 17 44.783 -64.974 57.656 1.00 0.00 H new ATOM 266 N LEU A 18 49.573 -69.523 58.216 1.00 0.00 N ATOM 267 CA LEU A 18 49.326 -70.731 57.437 1.00 0.00 C ATOM 268 C LEU A 18 50.598 -71.566 57.327 1.00 0.00 C ATOM 269 O LEU A 18 51.385 -71.396 56.396 1.00 0.00 O ATOM 270 CB LEU A 18 48.835 -70.358 56.037 1.00 0.00 C ATOM 271 CG LEU A 18 47.325 -70.118 56.073 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.935 -69.144 54.961 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.593 -71.446 55.866 1.00 0.00 C ATOM 0 H LEU A 18 50.361 -68.962 57.893 1.00 0.00 H new ATOM 0 HA LEU A 18 48.562 -71.319 57.945 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.348 -69.462 55.687 1.00 0.00 H new ATOM 0 HB3 LEU A 18 49.070 -71.156 55.333 1.00 0.00 H new ATOM 0 HG LEU A 18 47.048 -69.696 57.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.859 -68.974 54.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.456 -68.198 55.107 1.00 0.00 H new ATOM 0 HD13 LEU A 18 47.212 -69.565 53.995 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.517 -71.276 55.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.871 -71.868 54.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.869 -72.141 56.659 1.00 0.00 H new ATOM 285 N ALA A 19 50.793 -72.467 58.284 1.00 0.00 N ATOM 286 CA ALA A 19 51.974 -73.323 58.285 1.00 0.00 C ATOM 287 C ALA A 19 52.250 -73.859 56.884 1.00 0.00 C ATOM 288 O ALA A 19 53.333 -74.376 56.610 1.00 0.00 O ATOM 289 CB ALA A 19 51.770 -74.493 59.251 1.00 0.00 C ATOM 0 H ALA A 19 50.154 -72.623 59.063 1.00 0.00 H new ATOM 0 HA ALA A 19 52.829 -72.730 58.608 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.656 -75.128 59.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.604 -74.109 60.258 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.904 -75.076 58.938 1.00 0.00 H new ATOM 295 N ASN A 20 51.265 -73.732 56.002 1.00 0.00 N ATOM 296 CA ASN A 20 51.416 -74.204 54.630 1.00 0.00 C ATOM 297 C ASN A 20 52.087 -73.142 53.767 1.00 0.00 C ATOM 298 O ASN A 20 52.877 -73.457 52.878 1.00 0.00 O ATOM 299 CB ASN A 20 50.046 -74.551 54.043 1.00 0.00 C ATOM 300 CG ASN A 20 49.513 -75.829 54.681 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.270 -76.578 55.298 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.248 -76.125 54.567 1.00 0.00 N ATOM 0 H ASN A 20 50.360 -73.310 56.210 1.00 0.00 H new ATOM 0 HA ASN A 20 52.043 -75.095 54.640 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.349 -73.731 54.216 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.126 -74.680 52.964 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.884 -76.979 54.990 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.623 -75.503 54.055 1.00 0.00 H new ATOM 309 N GLN A 21 51.766 -71.880 54.036 1.00 0.00 N ATOM 310 CA GLN A 21 52.344 -70.777 53.275 1.00 0.00 C ATOM 311 C GLN A 21 53.788 -70.529 53.702 1.00 0.00 C ATOM 312 O GLN A 21 54.685 -70.428 52.865 1.00 0.00 O ATOM 313 CB GLN A 21 51.522 -69.505 53.493 1.00 0.00 C ATOM 314 CG GLN A 21 50.179 -69.635 52.771 1.00 0.00 C ATOM 315 CD GLN A 21 50.396 -69.625 51.262 1.00 0.00 C ATOM 316 OE1 GLN A 21 50.897 -68.644 50.713 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.046 -70.664 50.553 1.00 0.00 N ATOM 0 H GLN A 21 51.115 -71.597 54.768 1.00 0.00 H new ATOM 0 HA GLN A 21 52.330 -71.044 52.218 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.360 -69.342 54.559 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.066 -68.639 53.117 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.684 -70.559 53.070 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.521 -68.814 53.058 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.631 -71.476 51.009 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.188 -70.663 49.543 1.00 0.00 H new ATOM 326 N CYS A 22 54.004 -70.431 55.010 1.00 0.00 N ATOM 327 CA CYS A 22 55.337 -70.160 55.536 1.00 0.00 C ATOM 328 C CYS A 22 56.333 -71.207 55.048 1.00 0.00 C ATOM 329 O CYS A 22 57.338 -70.876 54.420 1.00 0.00 O ATOM 330 CB CYS A 22 55.302 -70.158 57.065 1.00 0.00 C ATOM 331 SG CYS A 22 56.620 -69.092 57.698 1.00 0.00 S ATOM 0 H CYS A 22 53.279 -70.534 55.720 1.00 0.00 H new ATOM 0 HA CYS A 22 55.656 -69.181 55.177 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.333 -69.804 57.417 1.00 0.00 H new ATOM 0 HB3 CYS A 22 55.427 -71.173 57.443 1.00 0.00 H new ATOM 336 N ASN A 23 56.048 -72.471 55.344 1.00 0.00 N ATOM 337 CA ASN A 23 56.933 -73.558 54.942 1.00 0.00 C ATOM 338 C ASN A 23 57.159 -73.540 53.434 1.00 0.00 C ATOM 339 O ASN A 23 58.283 -73.717 52.962 1.00 0.00 O ATOM 340 CB ASN A 23 56.329 -74.902 55.353 1.00 0.00 C ATOM 341 CG ASN A 23 54.956 -75.073 54.713 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.252 -74.091 54.477 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.530 -76.271 54.415 1.00 0.00 N ATOM 0 H ASN A 23 55.217 -72.766 55.857 1.00 0.00 H new ATOM 0 HA ASN A 23 57.892 -73.422 55.442 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.987 -75.715 55.046 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.243 -74.955 56.438 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.613 -76.394 53.986 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.114 -77.084 54.611 1.00 0.00 H new ATOM 350 N TYR A 24 56.084 -73.326 52.682 1.00 0.00 N ATOM 351 CA TYR A 24 56.185 -73.246 51.229 1.00 0.00 C ATOM 352 C TYR A 24 57.118 -72.110 50.815 1.00 0.00 C ATOM 353 O TYR A 24 57.992 -72.290 49.968 1.00 0.00 O ATOM 354 CB TYR A 24 54.799 -73.015 50.623 1.00 0.00 C ATOM 355 CG TYR A 24 54.181 -74.345 50.261 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.020 -75.332 51.241 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.768 -74.590 48.946 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.446 -76.565 50.905 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.194 -75.822 48.611 1.00 0.00 C ATOM 360 CZ TYR A 24 53.033 -76.809 49.590 1.00 0.00 C ATOM 361 OH TYR A 24 52.467 -78.024 49.260 1.00 0.00 O ATOM 0 H TYR A 24 55.141 -73.206 53.051 1.00 0.00 H new ATOM 0 HA TYR A 24 56.593 -74.187 50.860 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.163 -72.487 51.334 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.878 -72.385 49.737 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.338 -75.143 52.256 1.00 0.00 H new ATOM 0 HD2 TYR A 24 53.892 -73.829 48.190 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.322 -77.327 51.660 1.00 0.00 H new ATOM 0 HE2 TYR A 24 52.875 -76.011 47.597 1.00 0.00 H new ATOM 0 HH TYR A 24 52.235 -78.029 48.308 1.00 0.00 H new ATOM 371 N ASP A 25 56.923 -70.942 51.418 1.00 0.00 N ATOM 372 CA ASP A 25 57.751 -69.783 51.103 1.00 0.00 C ATOM 373 C ASP A 25 59.204 -70.037 51.491 1.00 0.00 C ATOM 374 O ASP A 25 60.124 -69.688 50.751 1.00 0.00 O ATOM 375 CB ASP A 25 57.230 -68.553 51.849 1.00 0.00 C ATOM 376 CG ASP A 25 55.858 -68.161 51.313 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.495 -68.649 50.255 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.188 -67.379 51.969 1.00 0.00 O ATOM 0 H ASP A 25 56.205 -70.773 52.122 1.00 0.00 H new ATOM 0 HA ASP A 25 57.701 -69.607 50.028 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.166 -68.765 52.916 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.927 -67.723 51.730 1.00 0.00 H new ATOM 383 N CYS A 26 59.405 -70.646 52.655 1.00 0.00 N ATOM 384 CA CYS A 26 60.752 -70.935 53.133 1.00 0.00 C ATOM 385 C CYS A 26 61.540 -71.711 52.083 1.00 0.00 C ATOM 386 O CYS A 26 62.664 -71.343 51.738 1.00 0.00 O ATOM 387 CB CYS A 26 60.684 -71.749 54.426 1.00 0.00 C ATOM 388 SG CYS A 26 62.001 -71.214 55.546 1.00 0.00 S ATOM 0 H CYS A 26 58.658 -70.947 53.281 1.00 0.00 H new ATOM 0 HA CYS A 26 61.259 -69.989 53.325 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.712 -71.616 54.901 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.789 -72.811 54.205 1.00 0.00 H new ATOM 393 N LYS A 27 60.947 -72.787 51.578 1.00 0.00 N ATOM 394 CA LYS A 27 61.605 -73.610 50.570 1.00 0.00 C ATOM 395 C LYS A 27 61.795 -72.826 49.275 1.00 0.00 C ATOM 396 O LYS A 27 62.899 -72.763 48.733 1.00 0.00 O ATOM 397 CB LYS A 27 60.771 -74.863 50.293 1.00 0.00 C ATOM 398 CG LYS A 27 60.518 -75.608 51.605 1.00 0.00 C ATOM 399 CD LYS A 27 59.505 -76.729 51.369 1.00 0.00 C ATOM 400 CE LYS A 27 60.078 -77.734 50.368 1.00 0.00 C ATOM 401 NZ LYS A 27 59.386 -79.044 50.527 1.00 0.00 N ATOM 0 H LYS A 27 60.017 -73.108 51.848 1.00 0.00 H new ATOM 0 HA LYS A 27 62.584 -73.902 50.950 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.823 -74.587 49.831 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.292 -75.511 49.589 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.452 -76.022 51.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.143 -74.918 52.361 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.274 -77.229 52.310 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.571 -76.315 50.990 1.00 0.00 H new ATOM 0 HE2 LYS A 27 59.949 -77.364 49.351 1.00 0.00 H new ATOM 0 HE3 LYS A 27 61.149 -77.854 50.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.787 -79.732 49.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.516 -79.390 51.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.371 -78.926 50.335 1.00 0.00 H new ATOM 415 N LEU A 28 60.713 -72.232 48.785 1.00 0.00 N ATOM 416 CA LEU A 28 60.765 -71.484 47.533 1.00 0.00 C ATOM 417 C LEU A 28 61.828 -70.393 47.602 1.00 0.00 C ATOM 418 O LEU A 28 62.402 -70.007 46.585 1.00 0.00 O ATOM 419 CB LEU A 28 59.402 -70.854 47.244 1.00 0.00 C ATOM 420 CG LEU A 28 58.366 -71.956 47.020 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.960 -71.382 47.199 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.513 -72.512 45.602 1.00 0.00 C ATOM 0 H LEU A 28 59.796 -72.253 49.231 1.00 0.00 H new ATOM 0 HA LEU A 28 61.023 -72.175 46.731 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.099 -70.220 48.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.465 -70.215 46.363 1.00 0.00 H new ATOM 0 HG LEU A 28 58.525 -72.756 47.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.223 -72.169 47.039 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.855 -70.986 48.209 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.799 -70.582 46.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.775 -73.298 45.441 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.355 -71.712 44.879 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.514 -72.923 45.474 1.00 0.00 H new ATOM 434 N ASP A 29 62.086 -69.899 48.809 1.00 0.00 N ATOM 435 CA ASP A 29 63.048 -68.819 48.991 1.00 0.00 C ATOM 436 C ASP A 29 64.435 -69.380 49.288 1.00 0.00 C ATOM 437 O ASP A 29 65.407 -69.054 48.607 1.00 0.00 O ATOM 438 CB ASP A 29 62.604 -67.913 50.142 1.00 0.00 C ATOM 439 CG ASP A 29 61.343 -67.153 49.749 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.039 -67.118 48.568 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.696 -66.618 50.636 1.00 0.00 O ATOM 0 H ASP A 29 61.646 -70.227 49.669 1.00 0.00 H new ATOM 0 HA ASP A 29 63.094 -68.239 48.069 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.416 -68.510 51.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.399 -67.211 50.391 1.00 0.00 H new ATOM 446 N LYS A 30 64.519 -70.226 50.310 1.00 0.00 N ATOM 447 CA LYS A 30 65.806 -70.760 50.743 1.00 0.00 C ATOM 448 C LYS A 30 65.964 -72.208 50.293 1.00 0.00 C ATOM 449 O LYS A 30 67.078 -72.728 50.220 1.00 0.00 O ATOM 450 CB LYS A 30 65.918 -70.681 52.267 1.00 0.00 C ATOM 451 CG LYS A 30 65.967 -69.215 52.700 1.00 0.00 C ATOM 452 CD LYS A 30 67.414 -68.721 52.673 1.00 0.00 C ATOM 453 CE LYS A 30 67.485 -67.310 53.261 1.00 0.00 C ATOM 454 NZ LYS A 30 68.908 -66.949 53.517 1.00 0.00 N ATOM 0 H LYS A 30 63.718 -70.555 50.850 1.00 0.00 H new ATOM 0 HA LYS A 30 66.597 -70.163 50.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.067 -71.180 52.731 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.815 -71.201 52.604 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.352 -68.608 52.035 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.554 -69.107 53.703 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.050 -69.397 53.245 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.789 -68.719 51.650 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.036 -66.595 52.572 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.914 -67.262 54.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 68.956 -65.990 53.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.322 -67.626 54.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.440 -66.979 52.624 1.00 0.00 H new ATOM 468 N HIS A 31 64.843 -72.856 49.993 1.00 0.00 N ATOM 469 CA HIS A 31 64.871 -74.240 49.536 1.00 0.00 C ATOM 470 C HIS A 31 65.196 -75.181 50.691 1.00 0.00 C ATOM 471 O HIS A 31 66.056 -76.054 50.571 1.00 0.00 O ATOM 472 CB HIS A 31 65.917 -74.405 48.432 1.00 0.00 C ATOM 473 CG HIS A 31 65.982 -73.147 47.611 1.00 0.00 C ATOM 474 ND1 HIS A 31 67.145 -72.405 47.486 1.00 0.00 N ATOM 475 CD2 HIS A 31 65.035 -72.488 46.866 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.872 -71.352 46.694 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.599 -71.355 46.288 1.00 0.00 N ATOM 0 H HIS A 31 63.910 -72.448 50.058 1.00 0.00 H new ATOM 0 HA HIS A 31 63.886 -74.492 49.144 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.893 -74.617 48.869 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.661 -75.253 47.797 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.008 -72.802 46.747 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.594 -70.597 46.420 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.140 -70.673 45.684 1.00 0.00 H new ATOM 485 N ALA A 32 64.504 -74.997 51.811 1.00 0.00 N ATOM 486 CA ALA A 32 64.700 -75.862 52.969 1.00 0.00 C ATOM 487 C ALA A 32 63.795 -77.086 52.881 1.00 0.00 C ATOM 488 O ALA A 32 63.236 -77.382 51.823 1.00 0.00 O ATOM 489 CB ALA A 32 64.394 -75.090 54.254 1.00 0.00 C ATOM 0 H ALA A 32 63.808 -74.263 51.941 1.00 0.00 H new ATOM 0 HA ALA A 32 65.739 -76.192 52.982 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.543 -75.742 55.115 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.061 -74.231 54.330 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.360 -74.746 54.234 1.00 0.00 H new ATOM 495 N ARG A 33 63.654 -77.795 53.996 1.00 0.00 N ATOM 496 CA ARG A 33 62.794 -78.971 54.038 1.00 0.00 C ATOM 497 C ARG A 33 61.344 -78.566 54.289 1.00 0.00 C ATOM 498 O ARG A 33 60.446 -78.943 53.536 1.00 0.00 O ATOM 499 CB ARG A 33 63.260 -79.920 55.144 1.00 0.00 C ATOM 500 CG ARG A 33 64.776 -80.098 55.059 1.00 0.00 C ATOM 501 CD ARG A 33 65.105 -81.229 54.082 1.00 0.00 C ATOM 502 NE ARG A 33 66.511 -81.177 53.704 1.00 0.00 N ATOM 503 CZ ARG A 33 66.974 -80.220 52.905 1.00 0.00 C ATOM 504 NH1 ARG A 33 66.163 -79.307 52.445 1.00 0.00 N ATOM 505 NH2 ARG A 33 68.237 -80.194 52.581 1.00 0.00 N ATOM 0 H ARG A 33 64.121 -77.578 54.877 1.00 0.00 H new ATOM 0 HA ARG A 33 62.856 -79.478 53.075 1.00 0.00 H new ATOM 0 HB2 ARG A 33 62.984 -79.521 56.120 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.764 -80.885 55.043 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.243 -79.170 54.728 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.182 -80.326 56.045 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.880 -82.192 54.541 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.479 -81.145 53.194 1.00 0.00 H new ATOM 0 HE ARG A 33 67.152 -81.887 54.058 1.00 0.00 H new ATOM 0 HH11 ARG A 33 65.175 -79.328 52.698 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.517 -78.572 51.832 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.871 -80.908 52.940 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.591 -79.460 51.968 1.00 0.00 H new ATOM 519 N SER A 34 61.125 -77.799 55.351 1.00 0.00 N ATOM 520 CA SER A 34 59.782 -77.335 55.681 1.00 0.00 C ATOM 521 C SER A 34 59.767 -75.821 55.871 1.00 0.00 C ATOM 522 O SER A 34 59.307 -75.082 55.002 1.00 0.00 O ATOM 523 CB SER A 34 59.294 -78.016 56.960 1.00 0.00 C ATOM 524 OG SER A 34 58.923 -79.357 56.666 1.00 0.00 O ATOM 0 H SER A 34 61.853 -77.487 55.994 1.00 0.00 H new ATOM 0 HA SER A 34 59.118 -77.592 54.856 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.079 -78.001 57.716 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.444 -77.473 57.373 1.00 0.00 H new ATOM 0 HG SER A 34 58.925 -79.885 57.491 1.00 0.00 H new ATOM 530 N GLY A 35 60.273 -75.369 57.013 1.00 0.00 N ATOM 531 CA GLY A 35 60.329 -73.939 57.299 1.00 0.00 C ATOM 532 C GLY A 35 59.024 -73.460 57.927 1.00 0.00 C ATOM 533 O GLY A 35 58.333 -72.607 57.371 1.00 0.00 O ATOM 0 H GLY A 35 60.648 -75.966 57.751 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.160 -73.731 57.973 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.519 -73.387 56.379 1.00 0.00 H new ATOM 537 N GLU A 36 58.693 -74.015 59.088 1.00 0.00 N ATOM 538 CA GLU A 36 57.461 -73.650 59.776 1.00 0.00 C ATOM 539 C GLU A 36 57.633 -72.330 60.523 1.00 0.00 C ATOM 540 O GLU A 36 58.750 -71.836 60.678 1.00 0.00 O ATOM 541 CB GLU A 36 57.068 -74.750 60.764 1.00 0.00 C ATOM 542 CG GLU A 36 56.882 -76.069 60.011 1.00 0.00 C ATOM 543 CD GLU A 36 55.702 -75.960 59.052 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.901 -75.058 59.229 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.617 -76.781 58.152 1.00 0.00 O ATOM 0 H GLU A 36 59.257 -74.715 59.570 1.00 0.00 H new ATOM 0 HA GLU A 36 56.674 -73.532 59.031 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.838 -74.860 61.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.146 -74.479 61.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.789 -76.313 59.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.712 -76.880 60.719 1.00 0.00 H new ATOM 552 N CYS A 37 56.521 -71.767 60.985 1.00 0.00 N ATOM 553 CA CYS A 37 56.558 -70.492 61.691 1.00 0.00 C ATOM 554 C CYS A 37 56.956 -70.700 63.149 1.00 0.00 C ATOM 555 O CYS A 37 56.642 -71.728 63.748 1.00 0.00 O ATOM 556 CB CYS A 37 55.202 -69.796 61.691 1.00 0.00 C ATOM 557 SG CYS A 37 54.687 -69.424 59.997 1.00 0.00 S ATOM 0 H CYS A 37 55.590 -72.170 60.884 1.00 0.00 H new ATOM 0 HA CYS A 37 57.287 -69.875 61.166 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.459 -70.432 62.173 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.258 -68.875 62.272 1.00 0.00 H new ATOM 562 N PHE A 38 57.651 -69.717 63.714 1.00 0.00 N ATOM 563 CA PHE A 38 58.057 -69.789 65.112 1.00 0.00 C ATOM 564 C PHE A 38 57.901 -68.432 65.788 1.00 0.00 C ATOM 565 O PHE A 38 58.057 -67.389 65.152 1.00 0.00 O ATOM 566 CB PHE A 38 59.515 -70.244 65.209 1.00 0.00 C ATOM 567 CG PHE A 38 59.603 -71.721 64.903 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.642 -72.159 63.574 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.645 -72.650 65.949 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.724 -73.528 63.291 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.727 -74.019 65.665 1.00 0.00 C ATOM 572 CZ PHE A 38 59.766 -74.458 64.336 1.00 0.00 C ATOM 0 H PHE A 38 57.942 -68.868 63.229 1.00 0.00 H new ATOM 0 HA PHE A 38 57.416 -70.510 65.619 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.131 -69.679 64.509 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.904 -70.045 66.208 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.609 -71.442 62.767 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.614 -72.312 66.974 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.755 -73.866 62.266 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.760 -74.736 66.472 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.828 -75.514 64.117 1.00 0.00 H new ATOM 582 N TYR A 39 57.593 -68.452 67.081 1.00 0.00 N ATOM 583 CA TYR A 39 57.403 -67.216 67.830 1.00 0.00 C ATOM 584 C TYR A 39 58.712 -66.778 68.480 1.00 0.00 C ATOM 585 O TYR A 39 59.191 -67.411 69.421 1.00 0.00 O ATOM 586 CB TYR A 39 56.337 -67.418 68.910 1.00 0.00 C ATOM 587 CG TYR A 39 54.979 -67.532 68.262 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.689 -68.622 67.432 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.008 -66.549 68.491 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.428 -68.728 66.832 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.748 -66.655 67.890 1.00 0.00 C ATOM 592 CZ TYR A 39 52.459 -67.744 67.060 1.00 0.00 C ATOM 593 OH TYR A 39 51.216 -67.849 66.469 1.00 0.00 O ATOM 0 H TYR A 39 57.470 -69.304 67.628 1.00 0.00 H new ATOM 0 HA TYR A 39 57.076 -66.440 67.138 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.554 -68.318 69.486 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.349 -66.582 69.609 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.437 -69.380 67.255 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.231 -65.709 69.132 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.203 -69.569 66.193 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.000 -65.897 68.067 1.00 0.00 H new ATOM 0 HH TYR A 39 50.663 -67.084 66.732 1.00 0.00 H new ATOM 603 N ASP A 40 59.286 -65.693 67.970 1.00 0.00 N ATOM 604 CA ASP A 40 60.535 -65.172 68.516 1.00 0.00 C ATOM 605 C ASP A 40 60.259 -64.241 69.692 1.00 0.00 C ATOM 606 O ASP A 40 59.182 -64.275 70.284 1.00 0.00 O ATOM 607 CB ASP A 40 61.303 -64.415 67.432 1.00 0.00 C ATOM 608 CG ASP A 40 61.750 -65.380 66.339 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.677 -66.576 66.566 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.158 -64.907 65.290 1.00 0.00 O ATOM 0 H ASP A 40 58.910 -65.161 67.185 1.00 0.00 H new ATOM 0 HA ASP A 40 61.135 -66.012 68.866 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.672 -63.636 67.005 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.170 -63.919 67.868 1.00 0.00 H new ATOM 615 N GLU A 41 61.243 -63.411 70.026 1.00 0.00 N ATOM 616 CA GLU A 41 61.095 -62.473 71.132 1.00 0.00 C ATOM 617 C GLU A 41 60.143 -61.342 70.753 1.00 0.00 C ATOM 618 O GLU A 41 59.334 -60.900 71.568 1.00 0.00 O ATOM 619 CB GLU A 41 62.459 -61.889 71.509 1.00 0.00 C ATOM 620 CG GLU A 41 63.377 -63.011 71.997 1.00 0.00 C ATOM 621 CD GLU A 41 62.836 -63.599 73.296 1.00 0.00 C ATOM 622 OE1 GLU A 41 62.016 -62.948 73.922 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.251 -64.692 73.646 1.00 0.00 O ATOM 0 H GLU A 41 62.144 -63.369 69.550 1.00 0.00 H new ATOM 0 HA GLU A 41 60.681 -63.010 71.985 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.903 -61.390 70.648 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.341 -61.136 72.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.449 -63.790 71.238 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.384 -62.626 72.154 1.00 0.00 H new ATOM 630 N LYS A 42 60.248 -60.878 69.512 1.00 0.00 N ATOM 631 CA LYS A 42 59.388 -59.802 69.035 1.00 0.00 C ATOM 632 C LYS A 42 57.956 -60.298 68.856 1.00 0.00 C ATOM 633 O LYS A 42 57.082 -59.551 68.418 1.00 0.00 O ATOM 634 CB LYS A 42 59.915 -59.264 67.703 1.00 0.00 C ATOM 635 CG LYS A 42 61.317 -58.688 67.903 1.00 0.00 C ATOM 636 CD LYS A 42 61.942 -58.379 66.541 1.00 0.00 C ATOM 637 CE LYS A 42 61.061 -57.378 65.791 1.00 0.00 C ATOM 638 NZ LYS A 42 61.873 -56.683 64.753 1.00 0.00 N ATOM 0 H LYS A 42 60.915 -61.227 68.823 1.00 0.00 H new ATOM 0 HA LYS A 42 59.393 -59.003 69.777 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.941 -60.062 66.961 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.246 -58.494 67.319 1.00 0.00 H new ATOM 0 HG2 LYS A 42 61.266 -57.781 68.506 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.939 -59.398 68.448 1.00 0.00 H new ATOM 0 HD2 LYS A 42 62.944 -57.970 66.673 1.00 0.00 H new ATOM 0 HD3 LYS A 42 62.045 -59.295 65.960 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.221 -57.894 65.326 1.00 0.00 H new ATOM 0 HE3 LYS A 42 60.643 -56.652 66.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 61.275 -56.002 64.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 62.660 -56.179 65.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 62.251 -57.382 64.082 1.00 0.00 H new ATOM 652 N ARG A 43 57.726 -61.561 69.197 1.00 0.00 N ATOM 653 CA ARG A 43 56.396 -62.146 69.070 1.00 0.00 C ATOM 654 C ARG A 43 55.916 -62.075 67.624 1.00 0.00 C ATOM 655 O ARG A 43 54.716 -61.986 67.362 1.00 0.00 O ATOM 656 CB ARG A 43 55.410 -61.403 69.974 1.00 0.00 C ATOM 657 CG ARG A 43 56.059 -61.145 71.336 1.00 0.00 C ATOM 658 CD ARG A 43 56.548 -62.468 71.926 1.00 0.00 C ATOM 659 NE ARG A 43 55.618 -63.542 71.597 1.00 0.00 N ATOM 660 CZ ARG A 43 54.530 -63.757 72.329 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.280 -63.001 73.363 1.00 0.00 N ATOM 662 NH2 ARG A 43 53.713 -64.725 72.015 1.00 0.00 N ATOM 0 H ARG A 43 58.437 -62.195 69.561 1.00 0.00 H new ATOM 0 HA ARG A 43 56.449 -63.192 69.373 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.119 -60.459 69.514 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.501 -61.991 70.098 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.894 -60.452 71.228 1.00 0.00 H new ATOM 0 HG3 ARG A 43 55.341 -60.677 72.010 1.00 0.00 H new ATOM 0 HD2 ARG A 43 57.539 -62.704 71.537 1.00 0.00 H new ATOM 0 HD3 ARG A 43 56.643 -62.379 73.008 1.00 0.00 H new ATOM 0 HE ARG A 43 55.806 -64.138 70.791 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.920 -62.245 73.609 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.445 -63.166 73.925 1.00 0.00 H new ATOM 0 HH21 ARG A 43 53.910 -65.317 71.208 1.00 0.00 H new ATOM 0 HH22 ARG A 43 52.878 -64.890 72.577 1.00 0.00 H new ATOM 676 N ASN A 44 56.860 -62.114 66.690 1.00 0.00 N ATOM 677 CA ASN A 44 56.521 -62.057 65.272 1.00 0.00 C ATOM 678 C ASN A 44 56.764 -63.409 64.608 1.00 0.00 C ATOM 679 O ASN A 44 57.901 -63.871 64.521 1.00 0.00 O ATOM 680 CB ASN A 44 57.362 -60.985 64.576 1.00 0.00 C ATOM 681 CG ASN A 44 58.807 -61.457 64.451 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.351 -62.050 65.383 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.464 -61.230 63.347 1.00 0.00 N ATOM 0 H ASN A 44 57.858 -62.184 66.886 1.00 0.00 H new ATOM 0 HA ASN A 44 55.465 -61.805 65.180 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.953 -60.774 63.588 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.322 -60.055 65.143 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.430 -61.544 63.255 1.00 0.00 H new ATOM 0 HD22 ASN A 44 59.012 -60.739 62.576 1.00 0.00 H new ATOM 690 N LEU A 45 55.689 -64.036 64.143 1.00 0.00 N ATOM 691 CA LEU A 45 55.799 -65.335 63.490 1.00 0.00 C ATOM 692 C LEU A 45 56.942 -65.332 62.480 1.00 0.00 C ATOM 693 O LEU A 45 56.915 -64.588 61.500 1.00 0.00 O ATOM 694 CB LEU A 45 54.487 -65.674 62.776 1.00 0.00 C ATOM 695 CG LEU A 45 53.308 -65.179 63.615 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.997 -65.637 62.973 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.411 -65.756 65.029 1.00 0.00 C ATOM 0 H LEU A 45 54.739 -63.670 64.205 1.00 0.00 H new ATOM 0 HA LEU A 45 56.004 -66.087 64.252 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.466 -65.209 61.790 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.412 -66.751 62.623 1.00 0.00 H new ATOM 0 HG LEU A 45 53.328 -64.090 63.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.156 -65.284 63.571 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.923 -65.228 61.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.976 -66.726 62.925 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.571 -65.404 65.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.390 -66.845 64.980 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.345 -65.431 65.487 1.00 0.00 H new ATOM 709 N GLN A 46 57.945 -66.168 62.727 1.00 0.00 N ATOM 710 CA GLN A 46 59.093 -66.255 61.831 1.00 0.00 C ATOM 711 C GLN A 46 59.259 -67.679 61.311 1.00 0.00 C ATOM 712 O GLN A 46 59.046 -68.646 62.042 1.00 0.00 O ATOM 713 CB GLN A 46 60.363 -65.825 62.566 1.00 0.00 C ATOM 714 CG GLN A 46 60.199 -64.392 63.074 1.00 0.00 C ATOM 715 CD GLN A 46 61.442 -63.574 62.742 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.335 -62.518 61.982 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.542 -63.906 63.185 1.00 0.00 N flip ATOM 0 H GLN A 46 57.987 -66.791 63.534 1.00 0.00 H new ATOM 0 HA GLN A 46 58.922 -65.590 60.985 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.558 -66.498 63.401 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.222 -65.889 61.898 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.321 -63.935 62.619 1.00 0.00 H new ATOM 0 HG3 GLN A 46 60.034 -64.396 64.151 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.625 -64.731 63.779 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.370 -63.356 62.958 1.00 0.00 H new ATOM 726 N CYS A 47 59.643 -67.801 60.044 1.00 0.00 N ATOM 727 CA CYS A 47 59.844 -69.112 59.439 1.00 0.00 C ATOM 728 C CYS A 47 61.262 -69.610 59.699 1.00 0.00 C ATOM 729 O CYS A 47 62.237 -68.932 59.376 1.00 0.00 O ATOM 730 CB CYS A 47 59.637 -69.041 57.915 1.00 0.00 C ATOM 731 SG CYS A 47 58.311 -70.151 57.379 1.00 0.00 S ATOM 0 H CYS A 47 59.820 -67.013 59.420 1.00 0.00 H new ATOM 0 HA CYS A 47 59.120 -69.794 59.885 1.00 0.00 H new ATOM 0 HB2 CYS A 47 59.397 -68.018 57.626 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.564 -69.307 57.407 1.00 0.00 H new ATOM 736 N ILE A 48 61.369 -70.800 60.282 1.00 0.00 N ATOM 737 CA ILE A 48 62.673 -71.390 60.560 1.00 0.00 C ATOM 738 C ILE A 48 63.003 -72.466 59.530 1.00 0.00 C ATOM 739 O ILE A 48 62.664 -73.636 59.711 1.00 0.00 O ATOM 740 CB ILE A 48 62.683 -72.003 61.961 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.556 -70.889 63.005 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.995 -72.757 62.180 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.559 -71.501 64.406 1.00 0.00 C ATOM 0 H ILE A 48 60.574 -71.371 60.569 1.00 0.00 H new ATOM 0 HA ILE A 48 63.426 -70.604 60.504 1.00 0.00 H new ATOM 0 HB ILE A 48 61.846 -72.694 62.061 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.381 -70.184 62.903 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.636 -70.328 62.844 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.001 -73.194 63.179 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.088 -73.549 61.437 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.832 -72.066 62.081 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.469 -70.709 65.149 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.719 -72.189 64.505 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.492 -72.043 64.564 1.00 0.00 H new ATOM 755 N CYS A 49 63.667 -72.063 58.452 1.00 0.00 N ATOM 756 CA CYS A 49 64.052 -73.005 57.408 1.00 0.00 C ATOM 757 C CYS A 49 65.017 -74.051 57.959 1.00 0.00 C ATOM 758 O CYS A 49 66.142 -73.730 58.343 1.00 0.00 O ATOM 759 CB CYS A 49 64.748 -72.256 56.267 1.00 0.00 C ATOM 760 SG CYS A 49 63.659 -72.118 54.828 1.00 0.00 S ATOM 0 H CYS A 49 63.948 -71.098 58.279 1.00 0.00 H new ATOM 0 HA CYS A 49 63.151 -73.498 57.044 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.040 -71.261 56.604 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.663 -72.779 55.987 1.00 0.00 H new ATOM 765 N ASP A 50 64.570 -75.301 57.995 1.00 0.00 N ATOM 766 CA ASP A 50 65.402 -76.385 58.505 1.00 0.00 C ATOM 767 C ASP A 50 65.980 -77.203 57.355 1.00 0.00 C ATOM 768 O ASP A 50 65.265 -77.577 56.425 1.00 0.00 O ATOM 769 CB ASP A 50 64.575 -77.295 59.415 1.00 0.00 C ATOM 770 CG ASP A 50 63.530 -78.042 58.594 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.834 -78.401 57.469 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.440 -78.246 59.104 1.00 0.00 O ATOM 0 H ASP A 50 63.643 -75.588 57.680 1.00 0.00 H new ATOM 0 HA ASP A 50 66.223 -75.950 59.075 1.00 0.00 H new ATOM 0 HB2 ASP A 50 65.227 -78.006 59.922 1.00 0.00 H new ATOM 0 HB3 ASP A 50 64.086 -76.703 60.189 1.00 0.00 H new ATOM 777 N TYR A 51 67.278 -77.477 57.423 1.00 0.00 N ATOM 778 CA TYR A 51 67.936 -78.279 56.399 1.00 0.00 C ATOM 779 C TYR A 51 68.349 -79.635 56.963 1.00 0.00 C ATOM 780 O TYR A 51 69.536 -79.957 57.024 1.00 0.00 O ATOM 781 CB TYR A 51 69.170 -77.545 55.873 1.00 0.00 C ATOM 782 CG TYR A 51 68.737 -76.425 54.957 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.354 -75.190 55.494 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.719 -76.622 53.571 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.953 -74.152 54.645 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.318 -75.583 52.722 1.00 0.00 C ATOM 787 CZ TYR A 51 67.935 -74.348 53.260 1.00 0.00 C ATOM 788 OH TYR A 51 67.539 -73.324 52.422 1.00 0.00 O ATOM 0 H TYR A 51 67.892 -77.158 58.172 1.00 0.00 H new ATOM 0 HA TYR A 51 67.233 -78.438 55.581 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.751 -77.145 56.704 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.818 -78.238 55.336 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.368 -75.038 56.563 1.00 0.00 H new ATOM 0 HD2 TYR A 51 69.014 -77.575 53.157 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.657 -73.199 55.059 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.304 -75.734 51.653 1.00 0.00 H new ATOM 0 HH TYR A 51 67.506 -73.651 51.499 1.00 0.00 H new ATOM 798 N CYS A 52 67.364 -80.426 57.374 1.00 0.00 N ATOM 799 CA CYS A 52 67.640 -81.742 57.939 1.00 0.00 C ATOM 800 C CYS A 52 66.351 -82.546 58.078 1.00 0.00 C ATOM 801 O CYS A 52 65.296 -82.134 57.596 1.00 0.00 O ATOM 802 CB CYS A 52 68.301 -81.594 59.310 1.00 0.00 C ATOM 803 SG CYS A 52 70.081 -81.343 59.097 1.00 0.00 S ATOM 0 H CYS A 52 66.375 -80.182 57.327 1.00 0.00 H new ATOM 0 HA CYS A 52 68.315 -82.271 57.266 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.866 -80.751 59.847 1.00 0.00 H new ATOM 0 HB3 CYS A 52 68.118 -82.484 59.912 1.00 0.00 H new ATOM 808 N GLU A 53 66.445 -83.696 58.739 1.00 0.00 N ATOM 809 CA GLU A 53 65.279 -84.549 58.939 1.00 0.00 C ATOM 810 C GLU A 53 64.719 -84.370 60.346 1.00 0.00 C ATOM 811 O GLU A 53 64.973 -85.184 61.234 1.00 0.00 O ATOM 812 CB GLU A 53 65.661 -86.014 58.722 1.00 0.00 C ATOM 813 CG GLU A 53 66.191 -86.199 57.299 1.00 0.00 C ATOM 814 CD GLU A 53 65.085 -85.916 56.289 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.930 -85.951 56.679 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.409 -85.667 55.139 1.00 0.00 O ATOM 0 H GLU A 53 67.310 -84.056 59.142 1.00 0.00 H new ATOM 0 HA GLU A 53 64.514 -84.262 58.217 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.419 -86.314 59.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.794 -86.655 58.885 1.00 0.00 H new ATOM 0 HG2 GLU A 53 67.033 -85.529 57.126 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.561 -87.216 57.170 1.00 0.00 H new ATOM 823 N TYR A 54 63.954 -83.301 60.542 1.00 0.00 N ATOM 824 CA TYR A 54 63.358 -83.029 61.845 1.00 0.00 C ATOM 825 C TYR A 54 62.097 -83.864 62.041 1.00 0.00 C ATOM 826 CB TYR A 54 63.012 -81.542 61.961 1.00 0.00 C ATOM 827 CG TYR A 54 61.805 -81.238 61.106 1.00 0.00 C ATOM 828 CD1 TYR A 54 60.518 -81.347 61.647 1.00 0.00 C ATOM 829 CD2 TYR A 54 61.972 -80.847 59.773 1.00 0.00 C ATOM 830 CE1 TYR A 54 59.399 -81.064 60.855 1.00 0.00 C ATOM 831 CE2 TYR A 54 60.853 -80.566 58.979 1.00 0.00 C ATOM 832 CZ TYR A 54 59.567 -80.673 59.522 1.00 0.00 C ATOM 833 OH TYR A 54 58.463 -80.395 58.740 1.00 0.00 O ATOM 0 H TYR A 54 63.733 -82.614 59.821 1.00 0.00 H new ATOM 0 HA TYR A 54 64.080 -83.295 62.617 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.809 -81.285 63.001 1.00 0.00 H new ATOM 0 HB3 TYR A 54 63.859 -80.935 61.642 1.00 0.00 H new ATOM 0 HD1 TYR A 54 60.389 -81.650 62.676 1.00 0.00 H new ATOM 0 HD2 TYR A 54 62.965 -80.762 59.356 1.00 0.00 H new ATOM 0 HE1 TYR A 54 58.406 -81.147 61.273 1.00 0.00 H new ATOM 0 HE2 TYR A 54 60.982 -80.267 57.949 1.00 0.00 H new ATOM 0 HH TYR A 54 57.739 -80.053 59.305 1.00 0.00 H new TER 843 TYR A 54