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 44 ASN : amide:sc= -0.809 K(o=-9.2,f=-13!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -8.43! C(o=-17!,f=-9.2!) USER MOD Set 2.1: A 14 SER OG : rot -0:sc= 0.29 USER MOD Set 2.2: A 17 GLN : amide:sc= -2.48! C(o=-2.2!,f=-5!) USER MOD Single : A 3 LYS NZ :NH3+ 149:sc= 0.153 (180deg=-0.619) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0.527 (180deg=-0.199) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 46:sc= -3.64! USER MOD Single : A 10 ASN : amide:sc= -1.69! C(o=-1.7!,f=-5.8!) USER MOD Single : A 11 TYR OH : rot 96:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0468 K(o=-0.047,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 23 ASN : amide:sc= -10.3! C(o=-10!,f=-30!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -0.494 (180deg=-0.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-3.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0197 (180deg=-0.35) USER MOD Single : A 51 TYR OH : rot -169:sc= -0.514 USER MOD Single : A 54 TYR OH : rot 105:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 67.942 -76.773 66.192 1.00 0.00 N ATOM 2 CA ASP A 2 69.272 -77.347 66.022 1.00 0.00 C ATOM 3 C ASP A 2 70.057 -76.575 64.967 1.00 0.00 C ATOM 4 O ASP A 2 69.626 -75.516 64.509 1.00 0.00 O ATOM 5 CB ASP A 2 69.159 -78.814 65.604 1.00 0.00 C ATOM 6 CG ASP A 2 68.564 -79.636 66.743 1.00 0.00 C ATOM 7 OD1 ASP A 2 68.475 -79.112 67.841 1.00 0.00 O ATOM 8 OD2 ASP A 2 68.209 -80.777 66.501 1.00 0.00 O ATOM 0 HA ASP A 2 69.800 -77.281 66.973 1.00 0.00 H new ATOM 0 HB2 ASP A 2 68.533 -78.901 64.716 1.00 0.00 H new ATOM 0 HB3 ASP A 2 70.143 -79.202 65.339 1.00 0.00 H new ATOM 13 N LYS A 3 71.211 -77.112 64.584 1.00 0.00 N ATOM 14 CA LYS A 3 72.049 -76.465 63.581 1.00 0.00 C ATOM 15 C LYS A 3 71.299 -76.335 62.260 1.00 0.00 C ATOM 16 O LYS A 3 71.484 -75.367 61.522 1.00 0.00 O ATOM 17 CB LYS A 3 73.328 -77.276 63.367 1.00 0.00 C ATOM 18 CG LYS A 3 72.976 -78.634 62.758 1.00 0.00 C ATOM 19 CD LYS A 3 74.229 -79.510 62.701 1.00 0.00 C ATOM 20 CE LYS A 3 73.956 -80.737 61.830 1.00 0.00 C ATOM 21 NZ LYS A 3 73.777 -80.312 60.414 1.00 0.00 N ATOM 0 H LYS A 3 71.585 -77.987 64.950 1.00 0.00 H new ATOM 0 HA LYS A 3 72.307 -75.468 63.938 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.008 -76.736 62.708 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.846 -77.415 64.316 1.00 0.00 H new ATOM 0 HG2 LYS A 3 72.205 -79.122 63.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.568 -78.500 61.756 1.00 0.00 H new ATOM 0 HD2 LYS A 3 75.065 -78.941 62.294 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.514 -79.821 63.706 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.784 -81.442 61.907 1.00 0.00 H new ATOM 0 HE3 LYS A 3 73.063 -81.254 62.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.108 -81.067 59.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 72.770 -80.124 60.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 74.328 -79.447 60.239 1.00 0.00 H new ATOM 35 N CYS A 4 70.450 -77.316 61.968 1.00 0.00 N ATOM 36 CA CYS A 4 69.677 -77.299 60.732 1.00 0.00 C ATOM 37 C CYS A 4 68.526 -76.313 60.792 1.00 0.00 C ATOM 38 O CYS A 4 67.446 -76.678 60.326 1.00 0.00 O ATOM 39 CB CYS A 4 69.035 -78.669 60.500 1.00 0.00 C ATOM 40 SG CYS A 4 70.286 -79.962 60.689 1.00 0.00 S ATOM 0 H CYS A 4 70.281 -78.126 62.565 1.00 0.00 H new ATOM 0 HA CYS A 4 70.374 -77.023 59.941 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.223 -78.827 61.210 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.599 -78.714 59.502 1.00 0.00 H new ATOM 45 N LYS A 5 68.704 -75.124 61.360 1.00 0.00 N ATOM 46 CA LYS A 5 67.608 -74.169 61.467 1.00 0.00 C ATOM 47 C LYS A 5 68.040 -72.798 60.954 1.00 0.00 C ATOM 48 O LYS A 5 69.086 -72.280 61.345 1.00 0.00 O ATOM 49 CB LYS A 5 67.156 -74.052 62.924 1.00 0.00 C ATOM 50 CG LYS A 5 66.845 -75.445 63.475 1.00 0.00 C ATOM 51 CD LYS A 5 65.562 -75.974 62.833 1.00 0.00 C ATOM 52 CE LYS A 5 65.036 -77.161 63.644 1.00 0.00 C ATOM 53 NZ LYS A 5 66.162 -78.088 63.953 1.00 0.00 N ATOM 0 H LYS A 5 69.589 -74.801 61.750 1.00 0.00 H new ATOM 0 HA LYS A 5 66.778 -74.528 60.858 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.936 -73.579 63.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.273 -73.417 62.992 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.673 -76.122 63.268 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.731 -75.402 64.558 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.811 -75.185 62.794 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.757 -76.280 61.805 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.576 -76.809 64.568 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.263 -77.685 63.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.783 -79.022 64.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.776 -78.179 63.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.714 -77.710 64.749 1.00 0.00 H new ATOM 67 N LYS A 6 67.227 -72.216 60.078 1.00 0.00 N ATOM 68 CA LYS A 6 67.513 -70.886 59.552 1.00 0.00 C ATOM 69 C LYS A 6 66.320 -69.959 59.757 1.00 0.00 C ATOM 70 O LYS A 6 65.267 -70.144 59.147 1.00 0.00 O ATOM 71 CB LYS A 6 67.842 -70.974 58.061 1.00 0.00 C ATOM 72 CG LYS A 6 68.978 -71.975 57.845 1.00 0.00 C ATOM 73 CD LYS A 6 70.323 -71.282 58.079 1.00 0.00 C ATOM 74 CE LYS A 6 70.540 -70.216 57.004 1.00 0.00 C ATOM 75 NZ LYS A 6 71.955 -70.261 56.539 1.00 0.00 N ATOM 0 H LYS A 6 66.371 -72.640 59.720 1.00 0.00 H new ATOM 0 HA LYS A 6 68.370 -70.480 60.090 1.00 0.00 H new ATOM 0 HB2 LYS A 6 66.960 -71.284 57.501 1.00 0.00 H new ATOM 0 HB3 LYS A 6 68.131 -69.993 57.683 1.00 0.00 H new ATOM 0 HG2 LYS A 6 68.868 -72.818 58.527 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.935 -72.376 56.832 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.342 -70.825 59.068 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.131 -72.013 58.050 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.865 -70.387 56.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 70.308 -69.229 57.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 72.103 -69.536 55.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.590 -70.078 57.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.160 -71.200 56.142 1.00 0.00 H new ATOM 89 N VAL A 7 66.492 -68.962 60.618 1.00 0.00 N ATOM 90 CA VAL A 7 65.402 -68.048 60.939 1.00 0.00 C ATOM 91 C VAL A 7 65.180 -67.060 59.798 1.00 0.00 C ATOM 92 O VAL A 7 66.134 -66.520 59.238 1.00 0.00 O ATOM 93 CB VAL A 7 65.721 -67.283 62.225 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.534 -66.396 62.601 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.992 -68.277 63.355 1.00 0.00 C ATOM 0 H VAL A 7 67.368 -68.767 61.103 1.00 0.00 H new ATOM 0 HA VAL A 7 64.493 -68.632 61.082 1.00 0.00 H new ATOM 0 HB VAL A 7 66.602 -66.661 62.067 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.762 -65.852 63.517 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.340 -65.687 61.796 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.652 -67.016 62.758 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.219 -67.733 64.272 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.111 -68.899 63.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.839 -68.909 63.088 1.00 0.00 H new ATOM 105 N TYR A 8 63.916 -66.829 59.459 1.00 0.00 N ATOM 106 CA TYR A 8 63.580 -65.874 58.410 1.00 0.00 C ATOM 107 C TYR A 8 63.439 -64.468 58.988 1.00 0.00 C ATOM 108 O TYR A 8 62.676 -64.247 59.927 1.00 0.00 O ATOM 109 CB TYR A 8 62.271 -66.282 57.732 1.00 0.00 C ATOM 110 CG TYR A 8 62.574 -67.105 56.503 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.466 -68.182 56.586 1.00 0.00 C ATOM 112 CD2 TYR A 8 61.964 -66.793 55.283 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.748 -68.946 55.447 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.247 -67.557 54.144 1.00 0.00 C ATOM 115 CZ TYR A 8 63.138 -68.633 54.226 1.00 0.00 C ATOM 116 OH TYR A 8 63.416 -69.386 53.103 1.00 0.00 O ATOM 0 H TYR A 8 63.113 -67.286 59.892 1.00 0.00 H new ATOM 0 HA TYR A 8 64.385 -65.873 57.675 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.655 -66.856 58.424 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.700 -65.395 57.457 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.936 -68.423 57.528 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.275 -65.963 55.220 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.436 -69.776 55.510 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.777 -67.316 53.202 1.00 0.00 H new ATOM 0 HH TYR A 8 63.373 -70.339 53.329 1.00 0.00 H new ATOM 126 N GLU A 9 64.183 -63.524 58.422 1.00 0.00 N ATOM 127 CA GLU A 9 64.126 -62.141 58.882 1.00 0.00 C ATOM 128 C GLU A 9 63.382 -61.270 57.874 1.00 0.00 C ATOM 129 O GLU A 9 63.611 -61.367 56.668 1.00 0.00 O ATOM 130 CB GLU A 9 65.542 -61.598 59.081 1.00 0.00 C ATOM 131 CG GLU A 9 66.256 -62.415 60.160 1.00 0.00 C ATOM 132 CD GLU A 9 66.676 -63.768 59.597 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.668 -63.911 58.385 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.000 -64.641 60.385 1.00 0.00 O ATOM 0 H GLU A 9 64.828 -63.689 57.649 1.00 0.00 H new ATOM 0 HA GLU A 9 63.591 -62.116 59.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.097 -61.649 58.144 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.503 -60.548 59.371 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.131 -61.873 60.518 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.597 -62.557 61.016 1.00 0.00 H new ATOM 141 N ASN A 10 62.491 -60.423 58.377 1.00 0.00 N ATOM 142 CA ASN A 10 61.731 -59.528 57.512 1.00 0.00 C ATOM 143 C ASN A 10 60.788 -60.323 56.615 1.00 0.00 C ATOM 144 O ASN A 10 60.877 -60.255 55.389 1.00 0.00 O ATOM 145 CB ASN A 10 62.685 -58.700 56.649 1.00 0.00 C ATOM 146 CG ASN A 10 63.876 -58.241 57.481 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.920 -58.480 58.688 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.852 -57.593 56.906 1.00 0.00 N ATOM 0 H ASN A 10 62.278 -60.337 59.371 1.00 0.00 H new ATOM 0 HA ASN A 10 61.140 -58.861 58.140 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.030 -59.293 55.802 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.161 -57.836 56.241 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.653 -57.284 57.457 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.814 -57.396 55.906 1.00 0.00 H new ATOM 155 N TYR A 11 59.883 -61.073 57.234 1.00 0.00 N ATOM 156 CA TYR A 11 58.909 -61.855 56.482 1.00 0.00 C ATOM 157 C TYR A 11 57.504 -61.633 57.032 1.00 0.00 C ATOM 158 O TYR A 11 57.285 -61.684 58.242 1.00 0.00 O ATOM 159 CB TYR A 11 59.260 -63.342 56.557 1.00 0.00 C ATOM 160 CG TYR A 11 60.119 -63.718 55.374 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.486 -63.417 55.379 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.550 -64.367 54.273 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.284 -63.764 54.282 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.347 -64.715 53.176 1.00 0.00 C ATOM 165 CZ TYR A 11 61.714 -64.413 53.181 1.00 0.00 C ATOM 166 OH TYR A 11 62.500 -64.757 52.099 1.00 0.00 O ATOM 0 H TYR A 11 59.804 -61.156 58.248 1.00 0.00 H new ATOM 0 HA TYR A 11 58.936 -61.529 55.442 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.789 -63.555 57.486 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.350 -63.941 56.564 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.925 -62.917 56.229 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.495 -64.600 54.269 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.339 -63.531 54.286 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.908 -65.216 52.326 1.00 0.00 H new ATOM 0 HH TYR A 11 62.783 -65.691 52.184 1.00 0.00 H new ATOM 176 N PRO A 12 56.560 -61.387 56.166 1.00 0.00 N ATOM 177 CA PRO A 12 55.142 -61.147 56.561 1.00 0.00 C ATOM 178 C PRO A 12 54.649 -62.169 57.582 1.00 0.00 C ATOM 179 O PRO A 12 54.702 -63.376 57.343 1.00 0.00 O ATOM 180 CB PRO A 12 54.374 -61.290 55.245 1.00 0.00 C ATOM 181 CG PRO A 12 55.357 -60.946 54.174 1.00 0.00 C ATOM 182 CD PRO A 12 56.744 -61.312 54.708 1.00 0.00 C ATOM 0 HA PRO A 12 55.010 -60.177 57.040 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.995 -62.304 55.119 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.513 -60.622 55.218 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.138 -61.496 53.258 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.305 -59.885 53.929 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.090 -62.262 54.301 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.486 -60.560 54.438 1.00 0.00 H new ATOM 190 N VAL A 13 54.169 -61.676 58.720 1.00 0.00 N ATOM 191 CA VAL A 13 53.656 -62.554 59.764 1.00 0.00 C ATOM 192 C VAL A 13 52.271 -63.076 59.394 1.00 0.00 C ATOM 193 O VAL A 13 51.976 -64.259 59.566 1.00 0.00 O ATOM 194 CB VAL A 13 53.579 -61.798 61.091 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.964 -61.254 61.450 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.595 -60.633 60.957 1.00 0.00 C ATOM 0 H VAL A 13 54.125 -60.681 58.941 1.00 0.00 H new ATOM 0 HA VAL A 13 54.336 -63.400 59.866 1.00 0.00 H new ATOM 0 HB VAL A 13 53.239 -62.475 61.875 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.909 -60.715 62.396 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.667 -62.082 61.544 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.304 -60.577 60.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.539 -60.093 61.902 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.936 -59.957 60.173 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.608 -61.018 60.700 1.00 0.00 H new ATOM 206 N SER A 14 51.425 -62.185 58.885 1.00 0.00 N ATOM 207 CA SER A 14 50.071 -62.566 58.502 1.00 0.00 C ATOM 208 C SER A 14 50.093 -63.813 57.624 1.00 0.00 C ATOM 209 O SER A 14 49.224 -64.678 57.736 1.00 0.00 O ATOM 210 CB SER A 14 49.403 -61.420 57.743 1.00 0.00 C ATOM 211 OG SER A 14 48.036 -61.739 57.517 1.00 0.00 O ATOM 0 H SER A 14 51.651 -61.203 58.729 1.00 0.00 H new ATOM 0 HA SER A 14 49.505 -62.783 59.408 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.483 -60.495 58.314 1.00 0.00 H new ATOM 0 HB3 SER A 14 49.911 -61.253 56.793 1.00 0.00 H new ATOM 0 HG SER A 14 47.840 -62.622 57.893 1.00 0.00 H new ATOM 217 N LYS A 15 51.092 -63.900 56.752 1.00 0.00 N ATOM 218 CA LYS A 15 51.225 -65.053 55.869 1.00 0.00 C ATOM 219 C LYS A 15 51.592 -66.299 56.668 1.00 0.00 C ATOM 220 O LYS A 15 51.220 -67.414 56.302 1.00 0.00 O ATOM 221 CB LYS A 15 52.301 -64.783 54.816 1.00 0.00 C ATOM 222 CG LYS A 15 51.838 -63.659 53.888 1.00 0.00 C ATOM 223 CD LYS A 15 52.804 -63.540 52.707 1.00 0.00 C ATOM 224 CE LYS A 15 52.441 -62.313 51.870 1.00 0.00 C ATOM 225 NZ LYS A 15 53.282 -62.283 50.640 1.00 0.00 N ATOM 0 H LYS A 15 51.817 -63.191 56.638 1.00 0.00 H new ATOM 0 HA LYS A 15 50.268 -65.221 55.374 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.237 -64.506 55.301 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.496 -65.687 54.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.830 -63.863 53.527 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.797 -62.716 54.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.829 -63.456 53.069 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.756 -64.439 52.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.385 -62.343 51.601 1.00 0.00 H new ATOM 0 HE3 LYS A 15 52.596 -61.404 52.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 53.035 -61.448 50.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 54.286 -62.235 50.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.113 -63.145 50.083 1.00 0.00 H new ATOM 239 N CYS A 16 52.324 -66.102 57.758 1.00 0.00 N ATOM 240 CA CYS A 16 52.737 -67.218 58.601 1.00 0.00 C ATOM 241 C CYS A 16 51.529 -67.846 59.289 1.00 0.00 C ATOM 242 O CYS A 16 51.644 -68.885 59.939 1.00 0.00 O ATOM 243 CB CYS A 16 53.734 -66.734 59.656 1.00 0.00 C ATOM 244 SG CYS A 16 55.208 -67.783 59.619 1.00 0.00 S ATOM 0 H CYS A 16 52.642 -65.187 58.078 1.00 0.00 H new ATOM 0 HA CYS A 16 53.212 -67.969 57.970 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.008 -65.697 59.464 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.277 -66.765 60.645 1.00 0.00 H new ATOM 249 N GLN A 17 50.372 -67.211 59.140 1.00 0.00 N ATOM 250 CA GLN A 17 49.149 -67.719 59.747 1.00 0.00 C ATOM 251 C GLN A 17 48.768 -69.065 59.137 1.00 0.00 C ATOM 252 O GLN A 17 47.839 -69.726 59.599 1.00 0.00 O ATOM 253 CB GLN A 17 48.008 -66.721 59.538 1.00 0.00 C ATOM 254 CG GLN A 17 47.562 -66.751 58.076 1.00 0.00 C ATOM 255 CD GLN A 17 46.733 -65.513 57.757 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.960 -64.447 58.333 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.778 -65.587 56.871 1.00 0.00 N ATOM 0 H GLN A 17 50.256 -66.349 58.607 1.00 0.00 H new ATOM 0 HA GLN A 17 49.324 -67.852 60.815 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.170 -66.969 60.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.335 -65.717 59.808 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.433 -66.793 57.422 1.00 0.00 H new ATOM 0 HG3 GLN A 17 46.976 -67.650 57.885 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.591 -66.470 56.395 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.218 -64.762 56.654 1.00 0.00 H new ATOM 266 N LEU A 18 49.493 -69.462 58.096 1.00 0.00 N ATOM 267 CA LEU A 18 49.234 -70.738 57.441 1.00 0.00 C ATOM 268 C LEU A 18 50.515 -71.563 57.351 1.00 0.00 C ATOM 269 O LEU A 18 51.340 -71.350 56.463 1.00 0.00 O ATOM 270 CB LEU A 18 48.678 -70.501 56.035 1.00 0.00 C ATOM 271 CG LEU A 18 47.170 -70.262 56.118 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.725 -69.389 54.943 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.438 -71.604 56.060 1.00 0.00 C ATOM 0 H LEU A 18 50.258 -68.923 57.691 1.00 0.00 H new ATOM 0 HA LEU A 18 48.502 -71.287 58.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.169 -69.642 55.578 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.886 -71.362 55.400 1.00 0.00 H new ATOM 0 HG LEU A 18 46.934 -69.758 57.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.650 -69.219 55.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.246 -68.433 54.982 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.961 -69.893 54.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.363 -71.435 56.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.675 -72.108 55.123 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.754 -72.227 56.897 1.00 0.00 H new ATOM 285 N ALA A 19 50.674 -72.504 58.276 1.00 0.00 N ATOM 286 CA ALA A 19 51.859 -73.353 58.293 1.00 0.00 C ATOM 287 C ALA A 19 52.172 -73.866 56.891 1.00 0.00 C ATOM 288 O ALA A 19 53.244 -74.419 56.648 1.00 0.00 O ATOM 289 CB ALA A 19 51.639 -74.538 59.235 1.00 0.00 C ATOM 0 H ALA A 19 50.002 -72.697 59.019 1.00 0.00 H new ATOM 0 HA ALA A 19 52.702 -72.760 58.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.529 -75.167 59.242 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.446 -74.171 60.243 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.785 -75.122 58.892 1.00 0.00 H new ATOM 295 N ASN A 20 51.230 -73.678 55.974 1.00 0.00 N ATOM 296 CA ASN A 20 51.420 -74.122 54.597 1.00 0.00 C ATOM 297 C ASN A 20 52.201 -73.080 53.800 1.00 0.00 C ATOM 298 O ASN A 20 53.064 -73.422 52.994 1.00 0.00 O ATOM 299 CB ASN A 20 50.062 -74.360 53.933 1.00 0.00 C ATOM 300 CG ASN A 20 49.420 -75.623 54.498 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.105 -76.454 55.093 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.139 -75.817 54.346 1.00 0.00 N ATOM 0 H ASN A 20 50.334 -73.225 56.156 1.00 0.00 H new ATOM 0 HA ASN A 20 51.987 -75.053 54.611 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.410 -73.503 54.103 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.187 -74.457 52.855 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.703 -76.659 54.721 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.574 -75.126 53.852 1.00 0.00 H new ATOM 309 N GLN A 21 51.891 -71.809 54.034 1.00 0.00 N ATOM 310 CA GLN A 21 52.576 -70.726 53.339 1.00 0.00 C ATOM 311 C GLN A 21 53.989 -70.545 53.889 1.00 0.00 C ATOM 312 O GLN A 21 54.946 -70.399 53.129 1.00 0.00 O ATOM 313 CB GLN A 21 51.794 -69.422 53.504 1.00 0.00 C ATOM 314 CG GLN A 21 50.542 -69.463 52.626 1.00 0.00 C ATOM 315 CD GLN A 21 50.934 -69.385 51.154 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.536 -68.402 50.724 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.626 -70.369 50.354 1.00 0.00 N ATOM 0 H GLN A 21 51.175 -71.505 54.694 1.00 0.00 H new ATOM 0 HA GLN A 21 52.639 -70.982 52.281 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.514 -69.283 54.548 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.419 -68.573 53.226 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.986 -70.381 52.814 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.883 -68.633 52.880 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.127 -71.182 50.714 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.884 -70.325 49.368 1.00 0.00 H new ATOM 326 N CYS A 22 54.108 -70.555 55.212 1.00 0.00 N ATOM 327 CA CYS A 22 55.405 -70.375 55.854 1.00 0.00 C ATOM 328 C CYS A 22 56.416 -71.386 55.320 1.00 0.00 C ATOM 329 O CYS A 22 57.456 -71.012 54.779 1.00 0.00 O ATOM 330 CB CYS A 22 55.265 -70.542 57.367 1.00 0.00 C ATOM 331 SG CYS A 22 56.905 -70.506 58.133 1.00 0.00 S ATOM 0 H CYS A 22 53.328 -70.685 55.857 1.00 0.00 H new ATOM 0 HA CYS A 22 55.763 -69.370 55.630 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.644 -69.745 57.776 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.766 -71.484 57.595 1.00 0.00 H new ATOM 336 N ASN A 23 56.102 -72.667 55.477 1.00 0.00 N ATOM 337 CA ASN A 23 57.002 -73.725 55.029 1.00 0.00 C ATOM 338 C ASN A 23 57.257 -73.616 53.530 1.00 0.00 C ATOM 339 O ASN A 23 58.401 -73.684 53.078 1.00 0.00 O ATOM 340 CB ASN A 23 56.397 -75.094 55.347 1.00 0.00 C ATOM 341 CG ASN A 23 54.968 -75.167 54.819 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.319 -74.138 54.636 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.436 -76.331 54.563 1.00 0.00 N ATOM 0 H ASN A 23 55.238 -72.997 55.908 1.00 0.00 H new ATOM 0 HA ASN A 23 57.950 -73.615 55.555 1.00 0.00 H new ATOM 0 HB2 ASN A 23 57.001 -75.881 54.896 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.405 -75.263 56.424 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.481 -76.389 54.211 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.976 -77.183 54.715 1.00 0.00 H new ATOM 350 N TYR A 24 56.186 -73.448 52.762 1.00 0.00 N ATOM 351 CA TYR A 24 56.308 -73.321 51.314 1.00 0.00 C ATOM 352 C TYR A 24 57.236 -72.165 50.951 1.00 0.00 C ATOM 353 O TYR A 24 58.247 -72.356 50.275 1.00 0.00 O ATOM 354 CB TYR A 24 54.930 -73.086 50.692 1.00 0.00 C ATOM 355 CG TYR A 24 54.323 -74.410 50.297 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.109 -75.399 51.264 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.974 -74.649 48.962 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.545 -76.628 50.897 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.411 -75.878 48.595 1.00 0.00 C ATOM 360 CZ TYR A 24 53.196 -76.866 49.562 1.00 0.00 C ATOM 361 OH TYR A 24 52.641 -78.077 49.200 1.00 0.00 O ATOM 0 H TYR A 24 55.230 -73.397 53.114 1.00 0.00 H new ATOM 0 HA TYR A 24 56.731 -74.246 50.923 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.281 -72.574 51.403 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.019 -72.440 49.819 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.379 -75.215 52.293 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.139 -73.886 48.216 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.380 -77.391 51.643 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.143 -76.063 47.565 1.00 0.00 H new ATOM 0 HH TYR A 24 52.457 -78.078 48.237 1.00 0.00 H new ATOM 371 N ASP A 25 56.884 -70.966 51.402 1.00 0.00 N ATOM 372 CA ASP A 25 57.687 -69.784 51.113 1.00 0.00 C ATOM 373 C ASP A 25 59.145 -70.014 51.499 1.00 0.00 C ATOM 374 O ASP A 25 60.060 -69.605 50.784 1.00 0.00 O ATOM 375 CB ASP A 25 57.139 -68.579 51.879 1.00 0.00 C ATOM 376 CG ASP A 25 55.766 -68.199 51.338 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.411 -68.690 50.280 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.089 -67.421 51.991 1.00 0.00 O ATOM 0 H ASP A 25 56.053 -70.787 51.966 1.00 0.00 H new ATOM 0 HA ASP A 25 57.635 -69.589 50.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.068 -68.814 52.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.823 -67.735 51.784 1.00 0.00 H new ATOM 383 N CYS A 26 59.354 -70.670 52.636 1.00 0.00 N ATOM 384 CA CYS A 26 60.706 -70.948 53.109 1.00 0.00 C ATOM 385 C CYS A 26 61.509 -71.684 52.041 1.00 0.00 C ATOM 386 O CYS A 26 62.635 -71.300 51.724 1.00 0.00 O ATOM 387 CB CYS A 26 60.650 -71.796 54.381 1.00 0.00 C ATOM 388 SG CYS A 26 61.977 -71.289 55.503 1.00 0.00 S ATOM 0 H CYS A 26 58.611 -71.017 53.243 1.00 0.00 H new ATOM 0 HA CYS A 26 61.196 -69.999 53.325 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.682 -71.677 54.868 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.754 -72.852 54.132 1.00 0.00 H new ATOM 393 N LYS A 27 60.923 -72.742 51.490 1.00 0.00 N ATOM 394 CA LYS A 27 61.597 -73.526 50.461 1.00 0.00 C ATOM 395 C LYS A 27 61.841 -72.683 49.214 1.00 0.00 C ATOM 396 O LYS A 27 62.970 -72.579 48.734 1.00 0.00 O ATOM 397 CB LYS A 27 60.748 -74.746 50.096 1.00 0.00 C ATOM 398 CG LYS A 27 60.463 -75.565 51.357 1.00 0.00 C ATOM 399 CD LYS A 27 59.679 -76.824 50.982 1.00 0.00 C ATOM 400 CE LYS A 27 58.899 -77.322 52.200 1.00 0.00 C ATOM 401 NZ LYS A 27 57.554 -76.680 52.226 1.00 0.00 N ATOM 0 H LYS A 27 59.991 -73.074 51.736 1.00 0.00 H new ATOM 0 HA LYS A 27 62.559 -73.855 50.855 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.812 -74.427 49.637 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.270 -75.359 49.361 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.399 -75.838 51.845 1.00 0.00 H new ATOM 0 HG3 LYS A 27 59.894 -74.968 52.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 58.994 -76.608 50.162 1.00 0.00 H new ATOM 0 HD3 LYS A 27 60.361 -77.599 50.632 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.795 -78.406 52.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.443 -77.087 53.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.056 -76.952 53.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 57.662 -75.646 52.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 57.004 -76.993 51.401 1.00 0.00 H new ATOM 415 N LEU A 28 60.775 -72.083 48.693 1.00 0.00 N ATOM 416 CA LEU A 28 60.879 -71.288 47.475 1.00 0.00 C ATOM 417 C LEU A 28 61.947 -70.210 47.624 1.00 0.00 C ATOM 418 O LEU A 28 62.565 -69.794 46.644 1.00 0.00 O ATOM 419 CB LEU A 28 59.531 -70.634 47.162 1.00 0.00 C ATOM 420 CG LEU A 28 58.448 -71.710 47.077 1.00 0.00 C ATOM 421 CD1 LEU A 28 57.073 -71.047 47.002 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.673 -72.559 45.823 1.00 0.00 C ATOM 0 H LEU A 28 59.837 -72.131 49.091 1.00 0.00 H new ATOM 0 HA LEU A 28 61.162 -71.950 46.656 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.278 -69.909 47.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.590 -70.088 46.221 1.00 0.00 H new ATOM 0 HG LEU A 28 58.496 -72.345 47.962 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.302 -71.815 46.941 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.912 -70.441 47.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 57.023 -70.412 46.118 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.902 -73.327 45.760 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.624 -71.923 44.939 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.653 -73.033 45.875 1.00 0.00 H new ATOM 434 N ASP A 29 62.159 -69.761 48.857 1.00 0.00 N ATOM 435 CA ASP A 29 63.124 -68.698 49.116 1.00 0.00 C ATOM 436 C ASP A 29 64.504 -69.283 49.400 1.00 0.00 C ATOM 437 O ASP A 29 65.501 -68.857 48.820 1.00 0.00 O ATOM 438 CB ASP A 29 62.668 -67.859 50.311 1.00 0.00 C ATOM 439 CG ASP A 29 61.366 -67.139 49.974 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.165 -66.833 48.811 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.589 -66.905 50.886 1.00 0.00 O ATOM 0 H ASP A 29 61.680 -70.113 49.686 1.00 0.00 H new ATOM 0 HA ASP A 29 63.186 -68.066 48.230 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.525 -68.499 51.182 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.438 -67.133 50.572 1.00 0.00 H new ATOM 446 N LYS A 30 64.553 -70.263 50.298 1.00 0.00 N ATOM 447 CA LYS A 30 65.825 -70.838 50.719 1.00 0.00 C ATOM 448 C LYS A 30 65.930 -72.293 50.276 1.00 0.00 C ATOM 449 O LYS A 30 67.025 -72.849 50.190 1.00 0.00 O ATOM 450 CB LYS A 30 65.957 -70.754 52.240 1.00 0.00 C ATOM 451 CG LYS A 30 65.973 -69.285 52.672 1.00 0.00 C ATOM 452 CD LYS A 30 67.403 -68.745 52.589 1.00 0.00 C ATOM 453 CE LYS A 30 67.447 -67.328 53.167 1.00 0.00 C ATOM 454 NZ LYS A 30 68.860 -66.855 53.214 1.00 0.00 N ATOM 0 H LYS A 30 63.733 -70.673 50.745 1.00 0.00 H new ATOM 0 HA LYS A 30 66.630 -70.271 50.252 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.127 -71.275 52.717 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.872 -71.249 52.564 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.314 -68.699 52.031 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.595 -69.190 53.690 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.082 -69.396 53.141 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.741 -68.737 51.553 1.00 0.00 H new ATOM 0 HE2 LYS A 30 66.847 -66.655 52.555 1.00 0.00 H new ATOM 0 HE3 LYS A 30 67.015 -67.318 54.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 68.891 -65.892 53.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.420 -67.492 53.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.256 -66.850 52.253 1.00 0.00 H new ATOM 468 N HIS A 31 64.783 -72.905 49.996 1.00 0.00 N ATOM 469 CA HIS A 31 64.759 -74.297 49.561 1.00 0.00 C ATOM 470 C HIS A 31 65.100 -75.228 50.720 1.00 0.00 C ATOM 471 O HIS A 31 66.047 -76.010 50.642 1.00 0.00 O ATOM 472 CB HIS A 31 65.760 -74.507 48.425 1.00 0.00 C ATOM 473 CG HIS A 31 65.830 -73.263 47.582 1.00 0.00 C ATOM 474 ND1 HIS A 31 66.994 -72.523 47.450 1.00 0.00 N ATOM 475 CD2 HIS A 31 64.888 -72.617 46.821 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.726 -71.485 46.639 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.456 -71.494 46.227 1.00 0.00 N ATOM 0 H HIS A 31 63.866 -72.463 50.062 1.00 0.00 H new ATOM 0 HA HIS A 31 63.754 -74.529 49.207 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.744 -74.739 48.832 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.459 -75.357 47.813 1.00 0.00 H new ATOM 0 HD2 HIS A 31 63.862 -72.932 46.701 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.450 -70.735 46.355 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.000 -70.822 45.610 1.00 0.00 H new ATOM 485 N ALA A 32 64.323 -75.139 51.795 1.00 0.00 N ATOM 486 CA ALA A 32 64.548 -75.985 52.960 1.00 0.00 C ATOM 487 C ALA A 32 63.625 -77.199 52.925 1.00 0.00 C ATOM 488 O ALA A 32 62.993 -77.481 51.908 1.00 0.00 O ATOM 489 CB ALA A 32 64.298 -75.187 54.241 1.00 0.00 C ATOM 0 H ALA A 32 63.538 -74.494 51.883 1.00 0.00 H new ATOM 0 HA ALA A 32 65.582 -76.328 52.943 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.468 -75.826 55.107 1.00 0.00 H new ATOM 0 HB2 ALA A 32 64.979 -74.336 54.278 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.269 -74.829 54.251 1.00 0.00 H new ATOM 495 N ARG A 33 63.551 -77.913 54.044 1.00 0.00 N ATOM 496 CA ARG A 33 62.698 -79.092 54.130 1.00 0.00 C ATOM 497 C ARG A 33 61.261 -78.693 54.451 1.00 0.00 C ATOM 498 O ARG A 33 60.324 -79.102 53.765 1.00 0.00 O ATOM 499 CB ARG A 33 63.221 -80.038 55.212 1.00 0.00 C ATOM 500 CG ARG A 33 64.665 -80.430 54.895 1.00 0.00 C ATOM 501 CD ARG A 33 64.682 -81.784 54.185 1.00 0.00 C ATOM 502 NE ARG A 33 64.037 -82.796 55.013 1.00 0.00 N ATOM 503 CZ ARG A 33 63.663 -83.966 54.503 1.00 0.00 C ATOM 504 NH1 ARG A 33 63.870 -84.223 53.240 1.00 0.00 N ATOM 505 NH2 ARG A 33 63.088 -84.856 55.265 1.00 0.00 N ATOM 0 H ARG A 33 64.067 -77.698 54.897 1.00 0.00 H new ATOM 0 HA ARG A 33 62.715 -79.599 53.165 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.170 -79.555 56.188 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.595 -80.929 55.265 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.129 -79.671 54.265 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.249 -80.482 55.814 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.168 -81.707 53.227 1.00 0.00 H new ATOM 0 HD3 ARG A 33 65.710 -82.079 53.973 1.00 0.00 H new ATOM 0 HE ARG A 33 63.870 -82.603 56.001 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.318 -83.527 52.645 1.00 0.00 H new ATOM 0 HH12 ARG A 33 63.583 -85.120 52.848 1.00 0.00 H new ATOM 0 HH21 ARG A 33 62.925 -84.654 56.252 1.00 0.00 H new ATOM 0 HH22 ARG A 33 62.801 -85.753 54.874 1.00 0.00 H new ATOM 519 N SER A 34 61.095 -77.891 55.499 1.00 0.00 N ATOM 520 CA SER A 34 59.768 -77.433 55.895 1.00 0.00 C ATOM 521 C SER A 34 59.736 -75.912 56.004 1.00 0.00 C ATOM 522 O SER A 34 59.242 -75.225 55.109 1.00 0.00 O ATOM 523 CB SER A 34 59.381 -78.052 57.238 1.00 0.00 C ATOM 524 OG SER A 34 59.061 -79.423 57.048 1.00 0.00 O ATOM 0 H SER A 34 61.856 -77.547 56.085 1.00 0.00 H new ATOM 0 HA SER A 34 59.054 -77.746 55.133 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.203 -77.953 57.947 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.528 -77.523 57.663 1.00 0.00 H new ATOM 0 HG SER A 34 58.814 -79.823 57.908 1.00 0.00 H new ATOM 530 N GLY A 35 60.265 -75.392 57.107 1.00 0.00 N ATOM 531 CA GLY A 35 60.311 -73.949 57.313 1.00 0.00 C ATOM 532 C GLY A 35 59.020 -73.450 57.954 1.00 0.00 C ATOM 533 O GLY A 35 58.371 -72.540 57.439 1.00 0.00 O ATOM 0 H GLY A 35 60.665 -75.943 57.866 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.159 -73.695 57.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.466 -73.446 56.359 1.00 0.00 H new ATOM 537 N GLU A 36 58.654 -74.053 59.081 1.00 0.00 N ATOM 538 CA GLU A 36 57.432 -73.669 59.779 1.00 0.00 C ATOM 539 C GLU A 36 57.622 -72.343 60.507 1.00 0.00 C ATOM 540 O GLU A 36 58.735 -71.822 60.588 1.00 0.00 O ATOM 541 CB GLU A 36 57.044 -74.755 60.785 1.00 0.00 C ATOM 542 CG GLU A 36 56.883 -76.092 60.058 1.00 0.00 C ATOM 543 CD GLU A 36 55.718 -76.015 59.078 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.902 -75.121 59.227 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.659 -76.851 58.192 1.00 0.00 O ATOM 0 H GLU A 36 59.181 -74.803 59.527 1.00 0.00 H new ATOM 0 HA GLU A 36 56.637 -73.553 59.043 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.808 -74.839 61.558 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.113 -74.487 61.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.801 -76.339 59.525 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.709 -76.890 60.780 1.00 0.00 H new ATOM 552 N CYS A 37 56.529 -71.802 61.035 1.00 0.00 N ATOM 553 CA CYS A 37 56.582 -70.520 61.729 1.00 0.00 C ATOM 554 C CYS A 37 57.055 -70.709 63.167 1.00 0.00 C ATOM 555 O CYS A 37 56.846 -71.764 63.766 1.00 0.00 O ATOM 556 CB CYS A 37 55.216 -69.854 61.823 1.00 0.00 C ATOM 557 SG CYS A 37 54.534 -69.606 60.165 1.00 0.00 S ATOM 0 H CYS A 37 55.603 -72.227 60.996 1.00 0.00 H new ATOM 0 HA CYS A 37 57.266 -69.900 61.149 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.541 -70.472 62.414 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.303 -68.896 62.336 1.00 0.00 H new ATOM 562 N PHE A 38 57.693 -69.680 63.715 1.00 0.00 N ATOM 563 CA PHE A 38 58.151 -69.729 65.099 1.00 0.00 C ATOM 564 C PHE A 38 57.950 -68.377 65.778 1.00 0.00 C ATOM 565 O PHE A 38 58.044 -67.329 65.137 1.00 0.00 O ATOM 566 CB PHE A 38 59.631 -70.111 65.147 1.00 0.00 C ATOM 567 CG PHE A 38 59.777 -71.592 64.889 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.694 -72.086 63.582 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.994 -72.470 65.958 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.829 -73.458 63.342 1.00 0.00 C ATOM 571 CE2 PHE A 38 60.129 -73.843 65.718 1.00 0.00 C ATOM 572 CZ PHE A 38 60.046 -74.337 64.411 1.00 0.00 C ATOM 0 H PHE A 38 57.903 -68.809 63.227 1.00 0.00 H new ATOM 0 HA PHE A 38 57.565 -70.480 65.629 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.188 -69.544 64.401 1.00 0.00 H new ATOM 0 HB3 PHE A 38 60.052 -69.857 66.120 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.526 -71.408 62.758 1.00 0.00 H new ATOM 0 HD2 PHE A 38 60.057 -72.089 66.966 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.766 -73.839 62.333 1.00 0.00 H new ATOM 0 HE2 PHE A 38 60.297 -74.521 66.542 1.00 0.00 H new ATOM 0 HZ PHE A 38 60.149 -75.396 64.227 1.00 0.00 H new ATOM 582 N TYR A 39 57.675 -68.409 67.077 1.00 0.00 N ATOM 583 CA TYR A 39 57.451 -67.180 67.831 1.00 0.00 C ATOM 584 C TYR A 39 58.734 -66.739 68.528 1.00 0.00 C ATOM 585 O TYR A 39 59.175 -67.366 69.492 1.00 0.00 O ATOM 586 CB TYR A 39 56.351 -67.400 68.872 1.00 0.00 C ATOM 587 CG TYR A 39 55.030 -67.613 68.173 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.815 -68.774 67.420 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.019 -66.650 68.277 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.591 -68.972 66.771 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.795 -66.847 67.629 1.00 0.00 C ATOM 592 CZ TYR A 39 52.580 -68.008 66.876 1.00 0.00 C ATOM 593 OH TYR A 39 51.372 -68.203 66.237 1.00 0.00 O ATOM 0 H TYR A 39 57.602 -69.265 67.627 1.00 0.00 H new ATOM 0 HA TYR A 39 57.142 -66.399 67.136 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.590 -68.264 69.492 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.288 -66.539 69.537 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.594 -69.517 67.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.184 -65.755 68.858 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.426 -69.867 66.190 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.016 -66.104 67.709 1.00 0.00 H new ATOM 0 HH TYR A 39 50.782 -67.441 66.413 1.00 0.00 H new ATOM 603 N ASP A 40 59.327 -65.658 68.035 1.00 0.00 N ATOM 604 CA ASP A 40 60.551 -65.131 68.629 1.00 0.00 C ATOM 605 C ASP A 40 60.224 -64.198 69.791 1.00 0.00 C ATOM 606 O ASP A 40 59.129 -64.249 70.352 1.00 0.00 O ATOM 607 CB ASP A 40 61.359 -64.372 67.575 1.00 0.00 C ATOM 608 CG ASP A 40 61.887 -65.341 66.524 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.681 -66.533 66.690 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.488 -64.879 65.569 1.00 0.00 O ATOM 0 H ASP A 40 58.984 -65.132 67.231 1.00 0.00 H new ATOM 0 HA ASP A 40 61.140 -65.968 69.004 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.734 -63.615 67.102 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.190 -63.849 68.049 1.00 0.00 H new ATOM 615 N GLU A 41 61.181 -63.347 70.149 1.00 0.00 N ATOM 616 CA GLU A 41 60.982 -62.404 71.243 1.00 0.00 C ATOM 617 C GLU A 41 59.963 -61.339 70.855 1.00 0.00 C ATOM 618 O GLU A 41 59.132 -60.934 71.668 1.00 0.00 O ATOM 619 CB GLU A 41 62.310 -61.735 71.604 1.00 0.00 C ATOM 620 CG GLU A 41 63.301 -62.794 72.088 1.00 0.00 C ATOM 621 CD GLU A 41 62.815 -63.405 73.397 1.00 0.00 C ATOM 622 OE1 GLU A 41 61.975 -62.794 74.037 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.289 -64.475 73.742 1.00 0.00 O ATOM 0 H GLU A 41 62.096 -63.291 69.701 1.00 0.00 H new ATOM 0 HA GLU A 41 60.605 -62.953 72.106 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.714 -61.213 70.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.153 -60.987 72.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.411 -63.572 71.333 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.284 -62.346 72.230 1.00 0.00 H new ATOM 630 N LYS A 42 60.031 -60.888 69.606 1.00 0.00 N ATOM 631 CA LYS A 42 59.104 -59.874 69.118 1.00 0.00 C ATOM 632 C LYS A 42 57.710 -60.464 68.935 1.00 0.00 C ATOM 633 O LYS A 42 56.798 -59.791 68.456 1.00 0.00 O ATOM 634 CB LYS A 42 59.601 -59.311 67.785 1.00 0.00 C ATOM 635 CG LYS A 42 60.974 -58.668 67.983 1.00 0.00 C ATOM 636 CD LYS A 42 61.425 -58.015 66.675 1.00 0.00 C ATOM 637 CE LYS A 42 62.872 -57.538 66.814 1.00 0.00 C ATOM 638 NZ LYS A 42 63.784 -58.717 66.842 1.00 0.00 N ATOM 0 H LYS A 42 60.714 -61.206 68.918 1.00 0.00 H new ATOM 0 HA LYS A 42 59.052 -59.072 69.855 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.664 -60.107 67.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.894 -58.574 67.403 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.927 -57.922 68.777 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.698 -59.421 68.295 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.343 -58.727 65.854 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.775 -57.174 66.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.132 -56.884 65.982 1.00 0.00 H new ATOM 0 HE3 LYS A 42 62.987 -56.954 67.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.749 -58.415 66.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.783 -59.134 67.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.457 -59.425 66.154 1.00 0.00 H new ATOM 652 N ARG A 43 57.551 -61.726 69.322 1.00 0.00 N ATOM 653 CA ARG A 43 56.263 -62.397 69.197 1.00 0.00 C ATOM 654 C ARG A 43 55.803 -62.408 67.742 1.00 0.00 C ATOM 655 O ARG A 43 54.623 -62.615 67.455 1.00 0.00 O ATOM 656 CB ARG A 43 55.218 -61.685 70.058 1.00 0.00 C ATOM 657 CG ARG A 43 55.720 -61.595 71.500 1.00 0.00 C ATOM 658 CD ARG A 43 54.975 -60.479 72.233 1.00 0.00 C ATOM 659 NE ARG A 43 55.177 -59.206 71.551 1.00 0.00 N ATOM 660 CZ ARG A 43 54.817 -58.059 72.119 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.272 -58.059 73.305 1.00 0.00 N ATOM 662 NH2 ARG A 43 55.009 -56.931 71.490 1.00 0.00 N ATOM 0 H ARG A 43 58.293 -62.301 69.722 1.00 0.00 H new ATOM 0 HA ARG A 43 56.376 -63.426 69.539 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.027 -60.686 69.665 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.273 -62.227 70.024 1.00 0.00 H new ATOM 0 HG2 ARG A 43 55.565 -62.546 72.010 1.00 0.00 H new ATOM 0 HG3 ARG A 43 56.792 -61.399 71.511 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.911 -60.711 72.278 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.330 -60.409 73.261 1.00 0.00 H new ATOM 0 HE ARG A 43 55.601 -59.195 70.623 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.122 -58.940 73.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.996 -57.178 73.740 1.00 0.00 H new ATOM 0 HH21 ARG A 43 55.435 -56.930 70.563 1.00 0.00 H new ATOM 0 HH22 ARG A 43 54.733 -56.051 71.925 1.00 0.00 H new ATOM 676 N ASN A 44 56.741 -62.184 66.829 1.00 0.00 N ATOM 677 CA ASN A 44 56.421 -62.169 65.406 1.00 0.00 C ATOM 678 C ASN A 44 56.665 -63.541 64.787 1.00 0.00 C ATOM 679 O ASN A 44 57.726 -64.137 64.972 1.00 0.00 O ATOM 680 CB ASN A 44 57.277 -61.124 64.687 1.00 0.00 C ATOM 681 CG ASN A 44 58.696 -61.649 64.505 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.249 -62.274 65.411 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.323 -61.433 63.382 1.00 0.00 N ATOM 0 H ASN A 44 57.723 -62.011 67.046 1.00 0.00 H new ATOM 0 HA ASN A 44 55.367 -61.914 65.294 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.840 -60.889 63.716 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.294 -60.198 65.262 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.273 -61.782 63.253 1.00 0.00 H new ATOM 0 HD22 ASN A 44 58.864 -60.915 62.633 1.00 0.00 H new ATOM 690 N LEU A 45 55.675 -64.039 64.051 1.00 0.00 N ATOM 691 CA LEU A 45 55.799 -65.337 63.400 1.00 0.00 C ATOM 692 C LEU A 45 56.941 -65.324 62.390 1.00 0.00 C ATOM 693 O LEU A 45 56.914 -64.567 61.419 1.00 0.00 O ATOM 694 CB LEU A 45 54.490 -65.693 62.690 1.00 0.00 C ATOM 695 CG LEU A 45 53.307 -65.181 63.512 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.999 -65.635 62.863 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.393 -65.744 64.932 1.00 0.00 C ATOM 0 H LEU A 45 54.785 -63.567 63.892 1.00 0.00 H new ATOM 0 HA LEU A 45 56.013 -66.085 64.163 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.473 -65.251 61.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.416 -66.773 62.561 1.00 0.00 H new ATOM 0 HG LEU A 45 53.335 -64.092 63.549 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.156 -65.270 63.449 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.937 -65.235 61.851 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.970 -66.724 62.826 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.550 -65.380 65.519 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.365 -66.833 64.894 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.325 -65.421 65.396 1.00 0.00 H new ATOM 709 N GLN A 46 57.943 -66.164 62.625 1.00 0.00 N ATOM 710 CA GLN A 46 59.087 -66.246 61.725 1.00 0.00 C ATOM 711 C GLN A 46 59.250 -67.665 61.191 1.00 0.00 C ATOM 712 O GLN A 46 59.104 -68.637 61.932 1.00 0.00 O ATOM 713 CB GLN A 46 60.361 -65.824 62.459 1.00 0.00 C ATOM 714 CG GLN A 46 60.269 -64.343 62.834 1.00 0.00 C ATOM 715 CD GLN A 46 61.620 -63.847 63.334 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.685 -62.742 64.025 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.646 -64.483 63.089 1.00 0.00 N flip ATOM 0 H GLN A 46 57.987 -66.794 63.426 1.00 0.00 H new ATOM 0 HA GLN A 46 58.913 -65.573 60.885 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.494 -66.429 63.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.232 -65.996 61.826 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.956 -63.759 61.969 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.512 -64.201 63.605 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.594 -65.347 62.549 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.548 -64.146 63.426 1.00 0.00 H new ATOM 726 N CYS A 47 59.553 -67.776 59.903 1.00 0.00 N ATOM 727 CA CYS A 47 59.754 -69.082 59.285 1.00 0.00 C ATOM 728 C CYS A 47 61.179 -69.573 59.521 1.00 0.00 C ATOM 729 O CYS A 47 62.145 -68.906 59.152 1.00 0.00 O ATOM 730 CB CYS A 47 59.505 -69.004 57.775 1.00 0.00 C ATOM 731 SG CYS A 47 57.739 -68.802 57.438 1.00 0.00 S ATOM 0 H CYS A 47 59.664 -66.984 59.270 1.00 0.00 H new ATOM 0 HA CYS A 47 59.048 -69.778 59.739 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.061 -68.168 57.351 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.873 -69.909 57.292 1.00 0.00 H new ATOM 736 N ILE A 48 61.301 -70.745 60.137 1.00 0.00 N ATOM 737 CA ILE A 48 62.614 -71.316 60.417 1.00 0.00 C ATOM 738 C ILE A 48 62.934 -72.434 59.429 1.00 0.00 C ATOM 739 O ILE A 48 62.581 -73.592 59.654 1.00 0.00 O ATOM 740 CB ILE A 48 62.651 -71.868 61.843 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.513 -70.713 62.839 1.00 0.00 C ATOM 742 CG2 ILE A 48 63.980 -72.586 62.079 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.657 -71.250 64.264 1.00 0.00 C ATOM 0 H ILE A 48 60.514 -71.314 60.449 1.00 0.00 H new ATOM 0 HA ILE A 48 63.361 -70.529 60.313 1.00 0.00 H new ATOM 0 HB ILE A 48 61.829 -72.571 61.982 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.275 -69.958 62.645 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.545 -70.228 62.718 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.006 -72.979 63.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.081 -73.407 61.370 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.802 -71.884 61.941 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.559 -70.429 64.974 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.879 -71.989 64.455 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.636 -71.715 64.380 1.00 0.00 H new ATOM 755 N CYS A 49 63.602 -72.079 58.338 1.00 0.00 N ATOM 756 CA CYS A 49 63.979 -73.064 57.330 1.00 0.00 C ATOM 757 C CYS A 49 64.898 -74.122 57.932 1.00 0.00 C ATOM 758 O CYS A 49 66.081 -73.871 58.162 1.00 0.00 O ATOM 759 CB CYS A 49 64.719 -72.372 56.180 1.00 0.00 C ATOM 760 SG CYS A 49 63.629 -72.174 54.749 1.00 0.00 S ATOM 0 H CYS A 49 63.892 -71.124 58.129 1.00 0.00 H new ATOM 0 HA CYS A 49 63.070 -73.540 56.962 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.080 -71.397 56.507 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.594 -72.958 55.899 1.00 0.00 H new ATOM 765 N ASP A 50 64.346 -75.304 58.185 1.00 0.00 N ATOM 766 CA ASP A 50 65.129 -76.395 58.754 1.00 0.00 C ATOM 767 C ASP A 50 65.746 -77.244 57.646 1.00 0.00 C ATOM 768 O ASP A 50 65.034 -77.821 56.823 1.00 0.00 O ATOM 769 CB ASP A 50 64.239 -77.272 59.636 1.00 0.00 C ATOM 770 CG ASP A 50 63.116 -77.881 58.804 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.351 -78.153 57.637 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.038 -78.066 59.344 1.00 0.00 O ATOM 0 H ASP A 50 63.367 -75.530 58.007 1.00 0.00 H new ATOM 0 HA ASP A 50 65.929 -75.968 59.358 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.833 -78.063 60.094 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.820 -76.678 60.448 1.00 0.00 H new ATOM 777 N TYR A 51 67.073 -77.317 57.633 1.00 0.00 N ATOM 778 CA TYR A 51 67.775 -78.105 56.627 1.00 0.00 C ATOM 779 C TYR A 51 68.146 -79.477 57.184 1.00 0.00 C ATOM 780 O TYR A 51 69.324 -79.813 57.298 1.00 0.00 O ATOM 781 CB TYR A 51 69.043 -77.373 56.182 1.00 0.00 C ATOM 782 CG TYR A 51 68.682 -76.309 55.176 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.320 -75.028 55.610 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.708 -76.602 53.807 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.986 -74.040 54.676 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.373 -75.614 52.872 1.00 0.00 C ATOM 787 CZ TYR A 51 68.013 -74.333 53.307 1.00 0.00 C ATOM 788 OH TYR A 51 67.682 -73.360 52.386 1.00 0.00 O ATOM 0 H TYR A 51 67.680 -76.844 58.302 1.00 0.00 H new ATOM 0 HA TYR A 51 67.114 -78.239 55.771 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.537 -76.922 57.043 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.748 -78.079 55.744 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.298 -74.802 56.666 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.986 -77.590 53.472 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.708 -73.052 55.011 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.392 -75.840 51.816 1.00 0.00 H new ATOM 0 HH TYR A 51 67.580 -73.768 51.501 1.00 0.00 H new ATOM 798 N CYS A 52 67.132 -80.265 57.528 1.00 0.00 N ATOM 799 CA CYS A 52 67.363 -81.599 58.067 1.00 0.00 C ATOM 800 C CYS A 52 66.055 -82.379 58.150 1.00 0.00 C ATOM 801 O CYS A 52 65.011 -81.908 57.702 1.00 0.00 O ATOM 802 CB CYS A 52 67.990 -81.499 59.459 1.00 0.00 C ATOM 803 SG CYS A 52 69.786 -81.342 59.302 1.00 0.00 S ATOM 0 H CYS A 52 66.149 -80.005 57.444 1.00 0.00 H new ATOM 0 HA CYS A 52 68.044 -82.126 57.399 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.584 -80.639 59.991 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.741 -82.383 60.046 1.00 0.00 H new ATOM 808 N GLU A 53 66.121 -83.575 58.727 1.00 0.00 N ATOM 809 CA GLU A 53 64.936 -84.415 58.858 1.00 0.00 C ATOM 810 C GLU A 53 64.114 -83.998 60.074 1.00 0.00 C ATOM 811 O GLU A 53 64.192 -84.623 61.131 1.00 0.00 O ATOM 812 CB GLU A 53 65.348 -85.881 58.998 1.00 0.00 C ATOM 813 CG GLU A 53 66.069 -86.332 57.726 1.00 0.00 C ATOM 814 CD GLU A 53 67.479 -85.751 57.693 1.00 0.00 C ATOM 815 OE1 GLU A 53 67.971 -85.381 58.746 1.00 0.00 O ATOM 816 OE2 GLU A 53 68.046 -85.686 56.615 1.00 0.00 O ATOM 0 H GLU A 53 66.975 -83.982 59.108 1.00 0.00 H new ATOM 0 HA GLU A 53 64.327 -84.292 57.962 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.000 -86.006 59.862 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.469 -86.502 59.170 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.114 -87.420 57.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 65.512 -86.007 56.847 1.00 0.00 H new ATOM 823 N TYR A 54 63.329 -82.938 59.916 1.00 0.00 N ATOM 824 CA TYR A 54 62.487 -82.454 61.004 1.00 0.00 C ATOM 825 C TYR A 54 61.106 -82.072 60.483 1.00 0.00 C ATOM 826 CB TYR A 54 63.138 -81.240 61.668 1.00 0.00 C ATOM 827 CG TYR A 54 64.286 -81.696 62.537 1.00 0.00 C ATOM 828 CD1 TYR A 54 65.563 -81.852 61.986 1.00 0.00 C ATOM 829 CD2 TYR A 54 64.072 -81.963 63.895 1.00 0.00 C ATOM 830 CE1 TYR A 54 66.626 -82.274 62.792 1.00 0.00 C ATOM 831 CE2 TYR A 54 65.136 -82.386 64.701 1.00 0.00 C ATOM 832 CZ TYR A 54 66.413 -82.541 64.149 1.00 0.00 C ATOM 833 OH TYR A 54 67.462 -82.957 64.943 1.00 0.00 O ATOM 0 H TYR A 54 63.258 -82.401 59.052 1.00 0.00 H new ATOM 0 HA TYR A 54 62.378 -83.253 61.737 1.00 0.00 H new ATOM 0 HB2 TYR A 54 63.497 -80.545 60.908 1.00 0.00 H new ATOM 0 HB3 TYR A 54 62.404 -80.704 62.269 1.00 0.00 H new ATOM 0 HD1 TYR A 54 65.728 -81.647 60.939 1.00 0.00 H new ATOM 0 HD2 TYR A 54 63.087 -81.843 64.320 1.00 0.00 H new ATOM 0 HE1 TYR A 54 67.611 -82.394 62.367 1.00 0.00 H new ATOM 0 HE2 TYR A 54 64.971 -82.593 65.748 1.00 0.00 H new ATOM 0 HH TYR A 54 67.758 -82.214 65.510 1.00 0.00 H new TER 843 TYR A 54