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 :FLIP amide:sc= -9.13! C(o=-12!,f=-12!) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -2.65 F(o=-16!,f=-12) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -165:sc= 0.584 (180deg=0.424) USER MOD Set 2.2: A 51 TYR OH : rot -176:sc= -0.317 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0633 (180deg=-0.716) USER MOD Single : A 8 TYR OH : rot 57:sc= -3.37! USER MOD Single : A 10 ASN : amide:sc= -1.91! C(o=-1.9!,f=-6.2!) USER MOD Single : A 11 TYR OH : rot 159:sc= 0.176 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.87! C(o=-2.9!,f=-5.1!) USER MOD Single : A 20 ASN : amide:sc= -0.0512 K(o=-0.051,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.00245 (180deg=0.0023) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-3!) USER MOD Single : A 34 SER OG : rot 120:sc= -0.138 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 Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 70.522 -76.860 66.978 1.00 0.00 N ATOM 2 CA ASP A 2 69.724 -76.300 65.893 1.00 0.00 C ATOM 3 C ASP A 2 70.609 -75.950 64.701 1.00 0.00 C ATOM 4 O ASP A 2 70.565 -74.831 64.190 1.00 0.00 O ATOM 5 CB ASP A 2 68.995 -75.045 66.375 1.00 0.00 C ATOM 6 CG ASP A 2 67.916 -75.424 67.385 1.00 0.00 C ATOM 7 OD1 ASP A 2 67.641 -76.606 67.511 1.00 0.00 O ATOM 8 OD2 ASP A 2 67.382 -74.528 68.017 1.00 0.00 O ATOM 0 HA ASP A 2 68.994 -77.047 65.582 1.00 0.00 H new ATOM 0 HB2 ASP A 2 69.705 -74.355 66.831 1.00 0.00 H new ATOM 0 HB3 ASP A 2 68.546 -74.527 65.528 1.00 0.00 H new ATOM 13 N LYS A 3 71.412 -76.914 64.264 1.00 0.00 N ATOM 14 CA LYS A 3 72.304 -76.696 63.130 1.00 0.00 C ATOM 15 C LYS A 3 71.508 -76.599 61.833 1.00 0.00 C ATOM 16 O LYS A 3 71.847 -75.817 60.944 1.00 0.00 O ATOM 17 CB LYS A 3 73.310 -77.845 63.030 1.00 0.00 C ATOM 18 CG LYS A 3 72.567 -79.153 62.755 1.00 0.00 C ATOM 19 CD LYS A 3 73.548 -80.324 62.830 1.00 0.00 C ATOM 20 CE LYS A 3 73.671 -80.795 64.280 1.00 0.00 C ATOM 21 NZ LYS A 3 74.568 -81.983 64.342 1.00 0.00 N ATOM 0 H LYS A 3 71.464 -77.847 64.673 1.00 0.00 H new ATOM 0 HA LYS A 3 72.838 -75.758 63.286 1.00 0.00 H new ATOM 0 HB2 LYS A 3 74.026 -77.647 62.232 1.00 0.00 H new ATOM 0 HB3 LYS A 3 73.879 -77.926 63.956 1.00 0.00 H new ATOM 0 HG2 LYS A 3 71.767 -79.288 63.482 1.00 0.00 H new ATOM 0 HG3 LYS A 3 72.101 -79.118 61.770 1.00 0.00 H new ATOM 0 HD2 LYS A 3 73.202 -81.143 62.199 1.00 0.00 H new ATOM 0 HD3 LYS A 3 74.524 -80.020 62.451 1.00 0.00 H new ATOM 0 HE2 LYS A 3 74.069 -79.993 64.902 1.00 0.00 H new ATOM 0 HE3 LYS A 3 72.687 -81.048 64.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 74.652 -82.304 65.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 74.170 -82.749 63.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 75.509 -81.727 63.980 1.00 0.00 H new ATOM 35 N CYS A 4 70.451 -77.397 61.732 1.00 0.00 N ATOM 36 CA CYS A 4 69.615 -77.393 60.537 1.00 0.00 C ATOM 37 C CYS A 4 68.469 -76.380 60.658 1.00 0.00 C ATOM 38 O CYS A 4 67.363 -76.734 60.250 1.00 0.00 O ATOM 39 CB CYS A 4 68.992 -78.775 60.332 1.00 0.00 C ATOM 40 SG CYS A 4 70.191 -79.863 59.519 1.00 0.00 S ATOM 0 H CYS A 4 70.154 -78.050 62.457 1.00 0.00 H new ATOM 0 HA CYS A 4 70.254 -77.122 59.696 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.694 -79.197 61.292 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.090 -78.693 59.726 1.00 0.00 H new ATOM 45 N LYS A 5 68.691 -75.190 61.208 1.00 0.00 N ATOM 46 CA LYS A 5 67.616 -74.216 61.355 1.00 0.00 C ATOM 47 C LYS A 5 68.075 -72.836 60.893 1.00 0.00 C ATOM 48 O LYS A 5 69.171 -72.390 61.235 1.00 0.00 O ATOM 49 CB LYS A 5 67.172 -74.145 62.817 1.00 0.00 C ATOM 50 CG LYS A 5 66.845 -75.553 63.320 1.00 0.00 C ATOM 51 CD LYS A 5 65.530 -76.026 62.697 1.00 0.00 C ATOM 52 CE LYS A 5 65.027 -77.262 63.443 1.00 0.00 C ATOM 53 NZ LYS A 5 66.184 -78.127 63.811 1.00 0.00 N ATOM 0 H LYS A 5 69.598 -74.879 61.556 1.00 0.00 H new ATOM 0 HA LYS A 5 66.777 -74.533 60.736 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.960 -73.704 63.427 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.298 -73.501 62.912 1.00 0.00 H new ATOM 0 HG2 LYS A 5 67.651 -76.240 63.060 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.765 -75.553 64.407 1.00 0.00 H new ATOM 0 HD2 LYS A 5 64.786 -75.231 62.746 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.678 -76.260 61.643 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.484 -76.963 64.339 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.328 -77.818 62.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.843 -79.080 64.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.842 -78.187 63.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.676 -77.719 64.631 1.00 0.00 H new ATOM 67 N LYS A 6 67.231 -72.166 60.115 1.00 0.00 N ATOM 68 CA LYS A 6 67.542 -70.819 59.650 1.00 0.00 C ATOM 69 C LYS A 6 66.336 -69.901 59.823 1.00 0.00 C ATOM 70 O LYS A 6 65.306 -70.084 59.175 1.00 0.00 O ATOM 71 CB LYS A 6 67.949 -70.857 58.175 1.00 0.00 C ATOM 72 CG LYS A 6 69.425 -71.241 58.061 1.00 0.00 C ATOM 73 CD LYS A 6 69.671 -71.933 56.719 1.00 0.00 C ATOM 74 CE LYS A 6 69.216 -71.017 55.581 1.00 0.00 C ATOM 75 NZ LYS A 6 69.747 -71.530 54.287 1.00 0.00 N ATOM 0 H LYS A 6 66.333 -72.530 59.795 1.00 0.00 H new ATOM 0 HA LYS A 6 68.368 -70.431 60.245 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.333 -71.576 57.635 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.779 -69.883 57.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.050 -70.352 58.144 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.703 -71.904 58.880 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.729 -72.170 56.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.127 -72.877 56.680 1.00 0.00 H new ATOM 0 HE2 LYS A 6 68.127 -70.974 55.548 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.570 -70.001 55.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.661 -70.792 53.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.748 -71.790 54.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 69.203 -72.367 53.996 1.00 0.00 H new ATOM 89 N VAL A 7 66.473 -68.913 60.702 1.00 0.00 N ATOM 90 CA VAL A 7 65.367 -68.007 60.993 1.00 0.00 C ATOM 91 C VAL A 7 65.160 -67.030 59.842 1.00 0.00 C ATOM 92 O VAL A 7 66.120 -66.494 59.288 1.00 0.00 O ATOM 93 CB VAL A 7 65.654 -67.230 62.280 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.441 -66.371 62.638 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.935 -68.215 63.417 1.00 0.00 C ATOM 0 H VAL A 7 67.330 -68.720 61.221 1.00 0.00 H new ATOM 0 HA VAL A 7 64.460 -68.598 61.121 1.00 0.00 H new ATOM 0 HB VAL A 7 66.522 -66.588 62.132 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.645 -65.817 63.555 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.240 -65.670 61.828 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.572 -67.012 62.787 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.140 -67.663 64.334 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.066 -68.857 63.566 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.799 -68.828 63.162 1.00 0.00 H new ATOM 105 N TYR A 8 63.899 -66.803 59.484 1.00 0.00 N ATOM 106 CA TYR A 8 63.576 -65.853 58.427 1.00 0.00 C ATOM 107 C TYR A 8 63.431 -64.445 58.996 1.00 0.00 C ATOM 108 O TYR A 8 62.651 -64.215 59.921 1.00 0.00 O ATOM 109 CB TYR A 8 62.273 -66.263 57.738 1.00 0.00 C ATOM 110 CG TYR A 8 62.589 -67.084 56.511 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.496 -68.147 56.595 1.00 0.00 C ATOM 112 CD2 TYR A 8 61.976 -66.782 55.289 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.788 -68.909 55.457 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.268 -67.543 54.152 1.00 0.00 C ATOM 115 CZ TYR A 8 63.175 -68.607 54.235 1.00 0.00 C ATOM 116 OH TYR A 8 63.464 -69.358 53.114 1.00 0.00 O ATOM 0 H TYR A 8 63.091 -67.260 59.907 1.00 0.00 H new ATOM 0 HA TYR A 8 64.389 -65.857 57.701 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.652 -66.839 58.424 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.702 -65.377 57.459 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.970 -68.379 57.537 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.277 -65.961 55.224 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.486 -69.730 55.522 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.794 -67.310 53.210 1.00 0.00 H new ATOM 0 HH TYR A 8 63.270 -70.302 53.293 1.00 0.00 H new ATOM 126 N GLU A 9 64.189 -63.506 58.437 1.00 0.00 N ATOM 127 CA GLU A 9 64.131 -62.121 58.892 1.00 0.00 C ATOM 128 C GLU A 9 63.389 -61.254 57.879 1.00 0.00 C ATOM 129 O GLU A 9 63.611 -61.363 56.674 1.00 0.00 O ATOM 130 CB GLU A 9 65.548 -61.577 59.091 1.00 0.00 C ATOM 131 CG GLU A 9 66.233 -62.338 60.228 1.00 0.00 C ATOM 132 CD GLU A 9 65.545 -62.025 61.552 1.00 0.00 C ATOM 133 OE1 GLU A 9 64.823 -61.043 61.605 1.00 0.00 O ATOM 134 OE2 GLU A 9 65.751 -62.772 62.495 1.00 0.00 O ATOM 0 H GLU A 9 64.845 -63.677 57.675 1.00 0.00 H new ATOM 0 HA GLU A 9 63.594 -62.092 59.840 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.122 -61.683 58.171 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.511 -60.512 59.322 1.00 0.00 H new ATOM 0 HG2 GLU A 9 66.196 -63.410 60.034 1.00 0.00 H new ATOM 0 HG3 GLU A 9 67.286 -62.060 60.281 1.00 0.00 H new ATOM 141 N ASN A 10 62.508 -60.394 58.379 1.00 0.00 N ATOM 142 CA ASN A 10 61.750 -59.500 57.510 1.00 0.00 C ATOM 143 C ASN A 10 60.799 -60.295 56.622 1.00 0.00 C ATOM 144 O ASN A 10 60.867 -60.216 55.395 1.00 0.00 O ATOM 145 CB ASN A 10 62.707 -58.687 56.637 1.00 0.00 C ATOM 146 CG ASN A 10 63.901 -58.222 57.464 1.00 0.00 C ATOM 147 OD1 ASN A 10 63.955 -58.467 58.670 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.866 -57.561 56.886 1.00 0.00 N ATOM 0 H ASN A 10 62.302 -60.297 59.373 1.00 0.00 H new ATOM 0 HA ASN A 10 61.165 -58.825 58.135 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.049 -59.292 55.798 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.187 -57.826 56.218 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.667 -57.246 57.433 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.819 -57.359 55.887 1.00 0.00 H new ATOM 155 N TYR A 11 59.913 -61.061 57.250 1.00 0.00 N ATOM 156 CA TYR A 11 58.933 -61.845 56.508 1.00 0.00 C ATOM 157 C TYR A 11 57.533 -61.620 57.069 1.00 0.00 C ATOM 158 O TYR A 11 57.317 -61.690 58.279 1.00 0.00 O ATOM 159 CB TYR A 11 59.284 -63.332 56.587 1.00 0.00 C ATOM 160 CG TYR A 11 60.126 -63.714 55.393 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.496 -63.420 55.379 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.539 -64.362 54.300 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.276 -63.774 54.273 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.320 -64.716 53.194 1.00 0.00 C ATOM 165 CZ TYR A 11 61.689 -64.422 53.180 1.00 0.00 C ATOM 166 OH TYR A 11 62.459 -64.771 52.089 1.00 0.00 O ATOM 0 H TYR A 11 59.853 -61.155 58.264 1.00 0.00 H new ATOM 0 HA TYR A 11 58.951 -61.523 55.467 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.826 -63.540 57.509 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.374 -63.931 56.610 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.950 -62.920 56.222 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.483 -64.589 54.310 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.332 -63.547 54.262 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.867 -65.216 52.351 1.00 0.00 H new ATOM 0 HH TYR A 11 62.011 -65.483 51.586 1.00 0.00 H new ATOM 176 N PRO A 12 56.587 -61.352 56.211 1.00 0.00 N ATOM 177 CA PRO A 12 55.174 -61.104 56.617 1.00 0.00 C ATOM 178 C PRO A 12 54.674 -62.136 57.625 1.00 0.00 C ATOM 179 O PRO A 12 54.716 -63.340 57.368 1.00 0.00 O ATOM 180 CB PRO A 12 54.397 -61.218 55.301 1.00 0.00 C ATOM 181 CG PRO A 12 55.380 -60.866 54.232 1.00 0.00 C ATOM 182 CD PRO A 12 56.765 -61.256 54.754 1.00 0.00 C ATOM 0 HA PRO A 12 55.055 -60.140 57.112 1.00 0.00 H new ATOM 0 HB2 PRO A 12 54.007 -62.226 55.160 1.00 0.00 H new ATOM 0 HB3 PRO A 12 53.543 -60.541 55.288 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.152 -61.397 53.308 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.339 -59.801 54.005 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.098 -62.203 54.330 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.514 -60.509 54.493 1.00 0.00 H new ATOM 190 N VAL A 13 54.203 -61.655 58.771 1.00 0.00 N ATOM 191 CA VAL A 13 53.683 -62.544 59.804 1.00 0.00 C ATOM 192 C VAL A 13 52.288 -63.038 59.433 1.00 0.00 C ATOM 193 O VAL A 13 51.972 -64.216 59.599 1.00 0.00 O ATOM 194 CB VAL A 13 53.627 -61.809 61.143 1.00 0.00 C ATOM 195 CG1 VAL A 13 55.032 -61.347 61.533 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.707 -60.592 61.019 1.00 0.00 C ATOM 0 H VAL A 13 54.170 -60.663 59.007 1.00 0.00 H new ATOM 0 HA VAL A 13 54.349 -63.403 59.888 1.00 0.00 H new ATOM 0 HB VAL A 13 53.241 -62.481 61.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.991 -60.823 62.488 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.688 -62.213 61.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.420 -60.675 60.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.667 -60.068 61.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 53.093 -59.921 60.252 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.705 -60.920 60.743 1.00 0.00 H new ATOM 206 N SER A 14 51.458 -62.129 58.931 1.00 0.00 N ATOM 207 CA SER A 14 50.095 -62.481 58.550 1.00 0.00 C ATOM 208 C SER A 14 50.091 -63.719 57.660 1.00 0.00 C ATOM 209 O SER A 14 49.208 -64.570 57.766 1.00 0.00 O ATOM 210 CB SER A 14 49.442 -61.314 57.810 1.00 0.00 C ATOM 211 OG SER A 14 49.511 -60.148 58.619 1.00 0.00 O ATOM 0 H SER A 14 51.703 -61.150 58.779 1.00 0.00 H new ATOM 0 HA SER A 14 49.528 -62.698 59.456 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.948 -61.142 56.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.403 -61.550 57.580 1.00 0.00 H new ATOM 0 HG SER A 14 49.095 -59.397 58.147 1.00 0.00 H new ATOM 217 N LYS A 15 51.083 -63.812 56.780 1.00 0.00 N ATOM 218 CA LYS A 15 51.188 -64.953 55.878 1.00 0.00 C ATOM 219 C LYS A 15 51.585 -66.208 56.648 1.00 0.00 C ATOM 220 O LYS A 15 51.195 -67.318 56.289 1.00 0.00 O ATOM 221 CB LYS A 15 52.226 -64.667 54.792 1.00 0.00 C ATOM 222 CG LYS A 15 51.736 -63.522 53.905 1.00 0.00 C ATOM 223 CD LYS A 15 52.662 -63.380 52.695 1.00 0.00 C ATOM 224 CE LYS A 15 52.257 -62.149 51.882 1.00 0.00 C ATOM 225 NZ LYS A 15 53.104 -62.061 50.658 1.00 0.00 N ATOM 0 H LYS A 15 51.821 -63.116 56.673 1.00 0.00 H new ATOM 0 HA LYS A 15 50.215 -65.117 55.414 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.181 -64.405 55.247 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.394 -65.560 54.191 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.716 -63.715 53.574 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.716 -62.591 54.472 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.697 -63.286 53.025 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.605 -64.274 52.074 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.205 -62.213 51.605 1.00 0.00 H new ATOM 0 HE3 LYS A 15 52.374 -61.248 52.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 52.829 -61.224 50.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 54.104 -61.981 50.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 52.971 -62.916 50.081 1.00 0.00 H new ATOM 239 N CYS A 16 52.366 -66.022 57.709 1.00 0.00 N ATOM 240 CA CYS A 16 52.812 -67.147 58.521 1.00 0.00 C ATOM 241 C CYS A 16 51.632 -67.792 59.240 1.00 0.00 C ATOM 242 O CYS A 16 51.774 -68.837 59.874 1.00 0.00 O ATOM 243 CB CYS A 16 53.841 -66.673 59.549 1.00 0.00 C ATOM 244 SG CYS A 16 55.263 -67.791 59.540 1.00 0.00 S ATOM 0 H CYS A 16 52.700 -65.111 58.023 1.00 0.00 H new ATOM 0 HA CYS A 16 53.269 -67.886 57.863 1.00 0.00 H new ATOM 0 HB2 CYS A 16 54.162 -65.658 59.316 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.393 -66.646 60.542 1.00 0.00 H new ATOM 249 N GLN A 17 50.466 -67.162 59.136 1.00 0.00 N ATOM 250 CA GLN A 17 49.266 -67.686 59.776 1.00 0.00 C ATOM 251 C GLN A 17 48.874 -69.026 59.163 1.00 0.00 C ATOM 252 O GLN A 17 47.975 -69.707 59.656 1.00 0.00 O ATOM 253 CB GLN A 17 48.113 -66.693 59.616 1.00 0.00 C ATOM 254 CG GLN A 17 47.622 -66.708 58.168 1.00 0.00 C ATOM 255 CD GLN A 17 46.757 -65.482 57.897 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.983 -64.421 58.478 1.00 0.00 O ATOM 257 NE2 GLN A 17 45.772 -65.564 57.044 1.00 0.00 N ATOM 0 H GLN A 17 50.327 -66.294 58.618 1.00 0.00 H new ATOM 0 HA GLN A 17 49.476 -67.831 60.836 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.298 -66.955 60.290 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.442 -65.690 59.889 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.473 -66.720 57.487 1.00 0.00 H new ATOM 0 HG3 GLN A 17 47.049 -67.616 57.979 1.00 0.00 H new ATOM 0 HE21 GLN A 17 45.586 -66.444 56.563 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.189 -64.748 56.858 1.00 0.00 H new ATOM 266 N LEU A 18 49.556 -69.399 58.085 1.00 0.00 N ATOM 267 CA LEU A 18 49.284 -70.669 57.421 1.00 0.00 C ATOM 268 C LEU A 18 50.552 -71.514 57.343 1.00 0.00 C ATOM 269 O LEU A 18 51.388 -71.315 56.463 1.00 0.00 O ATOM 270 CB LEU A 18 48.747 -70.417 56.011 1.00 0.00 C ATOM 271 CG LEU A 18 47.239 -70.171 56.076 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.814 -69.293 54.897 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.501 -71.509 56.007 1.00 0.00 C ATOM 0 H LEU A 18 50.296 -68.844 57.655 1.00 0.00 H new ATOM 0 HA LEU A 18 48.536 -71.209 58.002 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.248 -69.556 55.568 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.959 -71.273 55.371 1.00 0.00 H new ATOM 0 HG LEU A 18 46.993 -69.668 57.011 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.739 -69.117 54.943 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.340 -68.339 54.945 1.00 0.00 H new ATOM 0 HD13 LEU A 18 47.060 -69.796 53.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.426 -71.334 56.053 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.747 -72.012 55.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.803 -72.135 56.847 1.00 0.00 H new ATOM 285 N ALA A 19 50.686 -72.457 58.268 1.00 0.00 N ATOM 286 CA ALA A 19 51.856 -73.327 58.295 1.00 0.00 C ATOM 287 C ALA A 19 52.168 -73.851 56.897 1.00 0.00 C ATOM 288 O ALA A 19 53.229 -74.430 56.663 1.00 0.00 O ATOM 289 CB ALA A 19 51.610 -74.506 59.240 1.00 0.00 C ATOM 0 H ALA A 19 50.004 -72.638 59.005 1.00 0.00 H new ATOM 0 HA ALA A 19 52.707 -72.747 58.652 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.489 -75.151 59.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.418 -74.132 60.246 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.748 -75.076 58.894 1.00 0.00 H new ATOM 295 N ASN A 20 51.237 -73.644 55.971 1.00 0.00 N ATOM 296 CA ASN A 20 51.427 -74.096 54.597 1.00 0.00 C ATOM 297 C ASN A 20 52.212 -73.062 53.797 1.00 0.00 C ATOM 298 O ASN A 20 53.091 -73.410 53.006 1.00 0.00 O ATOM 299 CB ASN A 20 50.070 -74.333 53.933 1.00 0.00 C ATOM 300 CG ASN A 20 49.426 -75.594 54.501 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.107 -76.422 55.105 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.145 -75.788 54.343 1.00 0.00 N ATOM 0 H ASN A 20 50.351 -73.170 56.145 1.00 0.00 H new ATOM 0 HA ASN A 20 51.990 -75.029 54.616 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.419 -73.475 54.100 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.196 -74.433 52.855 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.706 -76.628 54.721 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.583 -75.100 53.842 1.00 0.00 H new ATOM 309 N GLN A 21 51.891 -71.789 54.006 1.00 0.00 N ATOM 310 CA GLN A 21 52.581 -70.712 53.305 1.00 0.00 C ATOM 311 C GLN A 21 53.992 -70.532 53.853 1.00 0.00 C ATOM 312 O GLN A 21 54.949 -70.377 53.094 1.00 0.00 O ATOM 313 CB GLN A 21 51.801 -69.405 53.460 1.00 0.00 C ATOM 314 CG GLN A 21 50.567 -69.435 52.555 1.00 0.00 C ATOM 315 CD GLN A 21 50.990 -69.328 51.094 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.600 -68.336 50.695 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.703 -70.297 50.268 1.00 0.00 N ATOM 0 H GLN A 21 51.163 -71.480 54.650 1.00 0.00 H new ATOM 0 HA GLN A 21 52.645 -70.974 52.249 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.500 -69.270 54.499 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.435 -68.558 53.200 1.00 0.00 H new ATOM 0 HG2 GLN A 21 50.011 -70.359 52.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.899 -68.613 52.810 1.00 0.00 H new ATOM 0 HE21 GLN A 21 50.197 -71.118 50.601 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.984 -70.233 49.290 1.00 0.00 H new ATOM 326 N CYS A 22 54.114 -70.551 55.176 1.00 0.00 N ATOM 327 CA CYS A 22 55.411 -70.369 55.818 1.00 0.00 C ATOM 328 C CYS A 22 56.417 -71.392 55.298 1.00 0.00 C ATOM 329 O CYS A 22 57.457 -71.030 54.747 1.00 0.00 O ATOM 330 CB CYS A 22 55.269 -70.517 57.333 1.00 0.00 C ATOM 331 SG CYS A 22 56.909 -70.511 58.098 1.00 0.00 S ATOM 0 H CYS A 22 53.336 -70.690 55.821 1.00 0.00 H new ATOM 0 HA CYS A 22 55.773 -69.368 55.582 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.666 -69.702 57.734 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.749 -71.445 57.571 1.00 0.00 H new ATOM 336 N ASN A 23 56.101 -72.670 55.478 1.00 0.00 N ATOM 337 CA ASN A 23 56.998 -73.737 55.049 1.00 0.00 C ATOM 338 C ASN A 23 57.263 -73.647 53.549 1.00 0.00 C ATOM 339 O ASN A 23 58.406 -73.755 53.104 1.00 0.00 O ATOM 340 CB ASN A 23 56.385 -75.099 55.379 1.00 0.00 C ATOM 341 CG ASN A 23 54.959 -75.172 54.845 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.309 -74.143 54.666 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.432 -76.335 54.577 1.00 0.00 N ATOM 0 H ASN A 23 55.237 -72.991 55.915 1.00 0.00 H new ATOM 0 HA ASN A 23 57.943 -73.625 55.580 1.00 0.00 H new ATOM 0 HB2 ASN A 23 56.988 -75.894 54.940 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.387 -75.256 56.458 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.479 -76.393 54.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 54.973 -77.187 54.726 1.00 0.00 H new ATOM 350 N TYR A 24 56.201 -73.450 52.775 1.00 0.00 N ATOM 351 CA TYR A 24 56.333 -73.334 51.328 1.00 0.00 C ATOM 352 C TYR A 24 57.262 -72.180 50.962 1.00 0.00 C ATOM 353 O TYR A 24 58.268 -72.373 50.280 1.00 0.00 O ATOM 354 CB TYR A 24 54.959 -73.105 50.695 1.00 0.00 C ATOM 355 CG TYR A 24 54.347 -74.435 50.324 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.135 -75.407 51.309 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.992 -74.696 48.995 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.567 -76.640 50.964 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.424 -75.928 48.651 1.00 0.00 C ATOM 360 CZ TYR A 24 53.212 -76.901 49.635 1.00 0.00 C ATOM 361 OH TYR A 24 52.652 -78.116 49.296 1.00 0.00 O ATOM 0 H TYR A 24 55.246 -73.368 53.123 1.00 0.00 H new ATOM 0 HA TYR A 24 56.760 -74.262 50.947 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.309 -72.576 51.392 1.00 0.00 H new ATOM 0 HB3 TYR A 24 55.055 -72.477 49.809 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.409 -75.206 52.334 1.00 0.00 H new ATOM 0 HD2 TYR A 24 54.157 -73.946 48.235 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.403 -77.390 51.724 1.00 0.00 H new ATOM 0 HE2 TYR A 24 53.149 -76.128 47.626 1.00 0.00 H new ATOM 0 HH TYR A 24 52.464 -78.133 48.334 1.00 0.00 H new ATOM 371 N ASP A 25 56.917 -70.982 51.420 1.00 0.00 N ATOM 372 CA ASP A 25 57.720 -69.801 51.123 1.00 0.00 C ATOM 373 C ASP A 25 59.177 -70.027 51.514 1.00 0.00 C ATOM 374 O ASP A 25 60.091 -69.637 50.789 1.00 0.00 O ATOM 375 CB ASP A 25 57.169 -68.592 51.882 1.00 0.00 C ATOM 376 CG ASP A 25 55.802 -68.206 51.327 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.437 -68.730 50.287 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.139 -67.393 51.951 1.00 0.00 O ATOM 0 H ASP A 25 56.093 -70.803 51.994 1.00 0.00 H new ATOM 0 HA ASP A 25 57.670 -69.613 50.051 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.087 -68.825 52.944 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.857 -67.752 51.793 1.00 0.00 H new ATOM 383 N CYS A 26 59.385 -70.659 52.665 1.00 0.00 N ATOM 384 CA CYS A 26 60.736 -70.927 53.143 1.00 0.00 C ATOM 385 C CYS A 26 61.543 -71.678 52.088 1.00 0.00 C ATOM 386 O CYS A 26 62.659 -71.286 51.751 1.00 0.00 O ATOM 387 CB CYS A 26 60.680 -71.754 54.429 1.00 0.00 C ATOM 388 SG CYS A 26 62.009 -71.231 55.541 1.00 0.00 S ATOM 0 H CYS A 26 58.642 -70.992 53.279 1.00 0.00 H new ATOM 0 HA CYS A 26 61.224 -69.973 53.344 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.713 -71.625 54.915 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.782 -72.814 54.197 1.00 0.00 H new ATOM 393 N LYS A 27 60.969 -72.761 51.573 1.00 0.00 N ATOM 394 CA LYS A 27 61.646 -73.562 50.558 1.00 0.00 C ATOM 395 C LYS A 27 61.841 -72.755 49.278 1.00 0.00 C ATOM 396 O LYS A 27 62.950 -72.668 48.750 1.00 0.00 O ATOM 397 CB LYS A 27 60.827 -74.817 50.253 1.00 0.00 C ATOM 398 CG LYS A 27 60.575 -75.590 51.549 1.00 0.00 C ATOM 399 CD LYS A 27 59.573 -76.715 51.287 1.00 0.00 C ATOM 400 CE LYS A 27 60.181 -77.723 50.310 1.00 0.00 C ATOM 401 NZ LYS A 27 59.464 -79.024 50.429 1.00 0.00 N ATOM 0 H LYS A 27 60.045 -73.102 51.838 1.00 0.00 H new ATOM 0 HA LYS A 27 62.624 -73.851 50.943 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.879 -74.542 49.791 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.359 -75.446 49.539 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.511 -76.003 51.926 1.00 0.00 H new ATOM 0 HG3 LYS A 27 60.191 -74.918 52.317 1.00 0.00 H new ATOM 0 HD2 LYS A 27 59.314 -77.210 52.223 1.00 0.00 H new ATOM 0 HD3 LYS A 27 58.650 -76.306 50.876 1.00 0.00 H new ATOM 0 HE2 LYS A 27 60.107 -77.347 49.290 1.00 0.00 H new ATOM 0 HE3 LYS A 27 61.241 -77.859 50.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 59.899 -79.720 49.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 59.528 -79.367 51.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 58.465 -78.894 50.172 1.00 0.00 H new ATOM 415 N LEU A 28 60.756 -72.168 48.782 1.00 0.00 N ATOM 416 CA LEU A 28 60.814 -71.394 47.548 1.00 0.00 C ATOM 417 C LEU A 28 61.881 -70.308 47.644 1.00 0.00 C ATOM 418 O LEU A 28 62.456 -69.899 46.636 1.00 0.00 O ATOM 419 CB LEU A 28 59.454 -70.752 47.269 1.00 0.00 C ATOM 420 CG LEU A 28 58.397 -71.846 47.109 1.00 0.00 C ATOM 421 CD1 LEU A 28 57.010 -71.207 47.013 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.680 -72.643 45.834 1.00 0.00 C ATOM 0 H LEU A 28 59.832 -72.213 49.213 1.00 0.00 H new ATOM 0 HA LEU A 28 61.072 -72.069 46.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.181 -70.084 48.086 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.505 -70.145 46.365 1.00 0.00 H new ATOM 0 HG LEU A 28 58.430 -72.512 47.971 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.257 -71.987 46.899 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.808 -70.638 47.920 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.975 -70.541 46.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.928 -73.423 45.718 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.646 -71.976 44.973 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.668 -73.099 45.901 1.00 0.00 H new ATOM 434 N ASP A 29 62.140 -69.846 48.863 1.00 0.00 N ATOM 435 CA ASP A 29 63.110 -68.777 49.073 1.00 0.00 C ATOM 436 C ASP A 29 64.494 -69.356 49.346 1.00 0.00 C ATOM 437 O ASP A 29 65.471 -68.993 48.690 1.00 0.00 O ATOM 438 CB ASP A 29 62.678 -67.903 50.251 1.00 0.00 C ATOM 439 CG ASP A 29 61.368 -67.195 49.922 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.076 -67.048 48.747 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.675 -66.812 50.851 1.00 0.00 O ATOM 0 H ASP A 29 61.696 -70.191 49.714 1.00 0.00 H new ATOM 0 HA ASP A 29 63.155 -68.170 48.169 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.555 -68.516 51.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.452 -67.169 50.473 1.00 0.00 H new ATOM 446 N LYS A 30 64.572 -70.258 50.319 1.00 0.00 N ATOM 447 CA LYS A 30 65.856 -70.817 50.727 1.00 0.00 C ATOM 448 C LYS A 30 65.984 -72.264 50.261 1.00 0.00 C ATOM 449 O LYS A 30 67.086 -72.805 50.179 1.00 0.00 O ATOM 450 CB LYS A 30 65.990 -70.756 52.251 1.00 0.00 C ATOM 451 CG LYS A 30 66.027 -69.295 52.702 1.00 0.00 C ATOM 452 CD LYS A 30 67.464 -68.775 52.636 1.00 0.00 C ATOM 453 CE LYS A 30 67.526 -67.366 53.229 1.00 0.00 C ATOM 454 NZ LYS A 30 68.947 -66.995 53.481 1.00 0.00 N ATOM 0 H LYS A 30 63.769 -70.615 50.836 1.00 0.00 H new ATOM 0 HA LYS A 30 66.650 -70.228 50.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 65.153 -71.272 52.721 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.898 -71.269 52.568 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.381 -68.691 52.065 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.644 -69.208 53.719 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.129 -69.442 53.186 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.810 -68.761 51.602 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.068 -66.652 52.545 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.958 -67.326 54.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 68.989 -66.037 53.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.369 -67.671 54.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.476 -67.018 52.586 1.00 0.00 H new ATOM 468 N HIS A 31 64.848 -72.885 49.957 1.00 0.00 N ATOM 469 CA HIS A 31 64.847 -74.266 49.488 1.00 0.00 C ATOM 470 C HIS A 31 65.169 -75.222 50.632 1.00 0.00 C ATOM 471 O HIS A 31 66.006 -76.114 50.491 1.00 0.00 O ATOM 472 CB HIS A 31 65.878 -74.439 48.371 1.00 0.00 C ATOM 473 CG HIS A 31 65.960 -73.173 47.562 1.00 0.00 C ATOM 474 ND1 HIS A 31 67.136 -72.452 47.435 1.00 0.00 N ATOM 475 CD2 HIS A 31 65.019 -72.487 46.834 1.00 0.00 C ATOM 476 CE1 HIS A 31 66.877 -71.385 46.658 1.00 0.00 C ATOM 477 NE2 HIS A 31 65.601 -71.359 46.263 1.00 0.00 N ATOM 0 H HIS A 31 63.924 -72.458 50.026 1.00 0.00 H new ATOM 0 HA HIS A 31 63.853 -74.498 49.105 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.854 -74.675 48.796 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.598 -75.275 47.730 1.00 0.00 H new ATOM 0 HD2 HIS A 31 63.985 -72.778 46.722 1.00 0.00 H new ATOM 0 HE1 HIS A 31 67.611 -70.640 46.387 1.00 0.00 H new ATOM 0 HE2 HIS A 31 65.150 -70.662 45.670 1.00 0.00 H new ATOM 485 N ALA A 32 64.500 -75.029 51.763 1.00 0.00 N ATOM 486 CA ALA A 32 64.704 -75.899 52.916 1.00 0.00 C ATOM 487 C ALA A 32 63.789 -77.116 52.836 1.00 0.00 C ATOM 488 O ALA A 32 63.232 -77.418 51.781 1.00 0.00 O ATOM 489 CB ALA A 32 64.420 -75.129 54.208 1.00 0.00 C ATOM 0 H ALA A 32 63.817 -74.285 51.906 1.00 0.00 H new ATOM 0 HA ALA A 32 65.740 -76.236 52.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.575 -75.786 55.064 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.094 -74.276 54.279 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.388 -74.777 54.202 1.00 0.00 H new ATOM 495 N ARG A 33 63.640 -77.814 53.958 1.00 0.00 N ATOM 496 CA ARG A 33 62.770 -78.983 54.008 1.00 0.00 C ATOM 497 C ARG A 33 61.331 -78.568 54.299 1.00 0.00 C ATOM 498 O ARG A 33 60.410 -78.939 53.572 1.00 0.00 O ATOM 499 CB ARG A 33 63.254 -79.947 55.092 1.00 0.00 C ATOM 500 CG ARG A 33 64.763 -80.159 54.951 1.00 0.00 C ATOM 501 CD ARG A 33 65.029 -81.304 53.973 1.00 0.00 C ATOM 502 NE ARG A 33 66.387 -81.216 53.449 1.00 0.00 N ATOM 503 CZ ARG A 33 66.739 -80.244 52.615 1.00 0.00 C ATOM 504 NH1 ARG A 33 65.863 -79.346 52.252 1.00 0.00 N ATOM 505 NH2 ARG A 33 67.961 -80.184 52.160 1.00 0.00 N ATOM 0 H ARG A 33 64.106 -77.593 54.838 1.00 0.00 H new ATOM 0 HA ARG A 33 62.804 -79.480 53.038 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.023 -79.546 56.079 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.733 -80.900 55.005 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.237 -79.245 54.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.201 -80.388 55.923 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.887 -82.261 54.475 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.312 -81.265 53.153 1.00 0.00 H new ATOM 0 HE ARG A 33 67.078 -81.913 53.728 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.909 -79.391 52.609 1.00 0.00 H new ATOM 0 HH12 ARG A 33 66.133 -78.600 51.612 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.646 -80.884 52.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 68.231 -79.437 51.520 1.00 0.00 H new ATOM 519 N SER A 34 61.145 -77.800 55.367 1.00 0.00 N ATOM 520 CA SER A 34 59.816 -77.322 55.730 1.00 0.00 C ATOM 521 C SER A 34 59.821 -75.808 55.918 1.00 0.00 C ATOM 522 O SER A 34 59.391 -75.062 55.040 1.00 0.00 O ATOM 523 CB SER A 34 59.353 -77.997 57.021 1.00 0.00 C ATOM 524 OG SER A 34 59.030 -79.356 56.752 1.00 0.00 O ATOM 0 H SER A 34 61.892 -77.497 55.992 1.00 0.00 H new ATOM 0 HA SER A 34 59.128 -77.573 54.922 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.137 -77.940 57.776 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.484 -77.478 57.425 1.00 0.00 H new ATOM 0 HG SER A 34 59.596 -79.941 57.298 1.00 0.00 H new ATOM 530 N GLY A 35 60.313 -75.362 57.070 1.00 0.00 N ATOM 531 CA GLY A 35 60.397 -73.933 57.351 1.00 0.00 C ATOM 532 C GLY A 35 59.089 -73.418 57.942 1.00 0.00 C ATOM 533 O GLY A 35 58.485 -72.484 57.416 1.00 0.00 O ATOM 0 H GLY A 35 60.657 -75.964 57.818 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.215 -73.742 58.046 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.625 -73.390 56.434 1.00 0.00 H new ATOM 537 N GLU A 36 58.658 -74.035 59.037 1.00 0.00 N ATOM 538 CA GLU A 36 57.415 -73.635 59.687 1.00 0.00 C ATOM 539 C GLU A 36 57.596 -72.315 60.429 1.00 0.00 C ATOM 540 O GLU A 36 58.707 -71.793 60.525 1.00 0.00 O ATOM 541 CB GLU A 36 56.970 -74.719 60.671 1.00 0.00 C ATOM 542 CG GLU A 36 56.736 -76.029 59.916 1.00 0.00 C ATOM 543 CD GLU A 36 55.560 -75.877 58.958 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.793 -74.945 59.136 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.443 -76.696 58.061 1.00 0.00 O ATOM 0 H GLU A 36 59.146 -74.808 59.490 1.00 0.00 H new ATOM 0 HA GLU A 36 56.652 -73.504 58.920 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.729 -74.861 61.440 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.056 -74.411 61.179 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.634 -76.304 59.362 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.538 -76.835 60.623 1.00 0.00 H new ATOM 552 N CYS A 37 56.498 -71.780 60.953 1.00 0.00 N ATOM 553 CA CYS A 37 56.543 -70.505 61.661 1.00 0.00 C ATOM 554 C CYS A 37 57.012 -70.708 63.098 1.00 0.00 C ATOM 555 O CYS A 37 56.812 -71.773 63.683 1.00 0.00 O ATOM 556 CB CYS A 37 55.177 -69.841 61.763 1.00 0.00 C ATOM 557 SG CYS A 37 54.498 -69.572 60.107 1.00 0.00 S ATOM 0 H CYS A 37 55.572 -72.205 60.902 1.00 0.00 H new ATOM 0 HA CYS A 37 57.224 -69.878 61.086 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.501 -70.467 62.345 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.263 -68.890 62.289 1.00 0.00 H new ATOM 562 N PHE A 38 57.637 -69.679 63.663 1.00 0.00 N ATOM 563 CA PHE A 38 58.088 -69.741 65.048 1.00 0.00 C ATOM 564 C PHE A 38 57.942 -68.381 65.721 1.00 0.00 C ATOM 565 O PHE A 38 58.034 -67.341 65.069 1.00 0.00 O ATOM 566 CB PHE A 38 59.552 -70.183 65.101 1.00 0.00 C ATOM 567 CG PHE A 38 59.646 -71.654 64.771 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.622 -72.074 63.436 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.756 -72.597 65.801 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.708 -73.438 63.130 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.843 -73.960 65.494 1.00 0.00 C ATOM 572 CZ PHE A 38 59.819 -74.381 64.158 1.00 0.00 C ATOM 0 H PHE A 38 57.841 -68.800 63.188 1.00 0.00 H new ATOM 0 HA PHE A 38 57.470 -70.465 65.579 1.00 0.00 H new ATOM 0 HB2 PHE A 38 60.144 -69.602 64.394 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.964 -69.995 66.092 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.537 -71.347 62.642 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.774 -72.273 66.831 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.689 -73.762 62.100 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.929 -74.688 66.288 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.886 -75.433 63.922 1.00 0.00 H new ATOM 582 N TYR A 39 57.713 -68.395 67.031 1.00 0.00 N ATOM 583 CA TYR A 39 57.544 -67.157 67.781 1.00 0.00 C ATOM 584 C TYR A 39 58.865 -66.732 68.416 1.00 0.00 C ATOM 585 O TYR A 39 59.339 -67.357 69.364 1.00 0.00 O ATOM 586 CB TYR A 39 56.489 -67.348 68.873 1.00 0.00 C ATOM 587 CG TYR A 39 55.129 -67.504 68.237 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.843 -68.637 67.467 1.00 0.00 C ATOM 589 CD2 TYR A 39 54.154 -66.516 68.418 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.581 -68.783 66.878 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.892 -66.662 67.828 1.00 0.00 C ATOM 592 CZ TYR A 39 52.605 -67.795 67.059 1.00 0.00 C ATOM 593 OH TYR A 39 51.362 -67.938 66.477 1.00 0.00 O ATOM 0 H TYR A 39 57.641 -69.244 67.591 1.00 0.00 H new ATOM 0 HA TYR A 39 57.217 -66.378 67.092 1.00 0.00 H new ATOM 0 HB2 TYR A 39 56.725 -68.228 69.472 1.00 0.00 H new ATOM 0 HB3 TYR A 39 56.490 -66.493 69.549 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.596 -69.399 67.327 1.00 0.00 H new ATOM 0 HD2 TYR A 39 54.375 -65.642 69.012 1.00 0.00 H new ATOM 0 HE1 TYR A 39 53.360 -69.658 66.284 1.00 0.00 H new ATOM 0 HE2 TYR A 39 52.140 -65.899 67.967 1.00 0.00 H new ATOM 0 HH TYR A 39 50.804 -67.165 66.703 1.00 0.00 H new ATOM 603 N ASP A 40 59.455 -65.666 67.885 1.00 0.00 N ATOM 604 CA ASP A 40 60.714 -65.157 68.417 1.00 0.00 C ATOM 605 C ASP A 40 60.467 -64.313 69.664 1.00 0.00 C ATOM 606 O ASP A 40 59.439 -64.454 70.327 1.00 0.00 O ATOM 607 CB ASP A 40 61.424 -64.310 67.359 1.00 0.00 C ATOM 608 CG ASP A 40 61.804 -65.178 66.164 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.704 -66.389 66.282 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.188 -64.621 65.150 1.00 0.00 O ATOM 0 H ASP A 40 59.085 -65.141 67.093 1.00 0.00 H new ATOM 0 HA ASP A 40 61.343 -66.006 68.685 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.774 -63.497 67.036 1.00 0.00 H new ATOM 0 HB3 ASP A 40 62.317 -63.854 67.786 1.00 0.00 H new ATOM 615 N GLU A 41 61.416 -63.436 69.977 1.00 0.00 N ATOM 616 CA GLU A 41 61.288 -62.571 71.145 1.00 0.00 C ATOM 617 C GLU A 41 60.184 -61.540 70.930 1.00 0.00 C ATOM 618 O GLU A 41 59.424 -61.231 71.847 1.00 0.00 O ATOM 619 CB GLU A 41 62.613 -61.855 71.411 1.00 0.00 C ATOM 620 CG GLU A 41 63.697 -62.887 71.729 1.00 0.00 C ATOM 621 CD GLU A 41 63.371 -63.600 73.036 1.00 0.00 C ATOM 622 OE1 GLU A 41 62.564 -63.078 73.787 1.00 0.00 O ATOM 623 OE2 GLU A 41 63.933 -64.658 73.268 1.00 0.00 O ATOM 0 H GLU A 41 62.275 -63.306 69.443 1.00 0.00 H new ATOM 0 HA GLU A 41 61.030 -63.189 72.005 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.901 -61.266 70.540 1.00 0.00 H new ATOM 0 HB3 GLU A 41 62.502 -61.160 72.244 1.00 0.00 H new ATOM 0 HG2 GLU A 41 63.770 -63.612 70.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 64.667 -62.396 71.805 1.00 0.00 H new ATOM 630 N LYS A 42 60.104 -61.011 69.713 1.00 0.00 N ATOM 631 CA LYS A 42 59.087 -60.017 69.389 1.00 0.00 C ATOM 632 C LYS A 42 57.729 -60.683 69.197 1.00 0.00 C ATOM 633 O LYS A 42 56.766 -60.041 68.778 1.00 0.00 O ATOM 634 CB LYS A 42 59.476 -59.269 68.112 1.00 0.00 C ATOM 635 CG LYS A 42 60.797 -58.531 68.334 1.00 0.00 C ATOM 636 CD LYS A 42 61.321 -58.007 66.997 1.00 0.00 C ATOM 637 CE LYS A 42 60.339 -56.980 66.431 1.00 0.00 C ATOM 638 NZ LYS A 42 61.033 -56.133 65.419 1.00 0.00 N ATOM 0 H LYS A 42 60.726 -61.251 68.941 1.00 0.00 H new ATOM 0 HA LYS A 42 59.019 -59.311 70.217 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.574 -59.970 67.283 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.693 -58.561 67.840 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.651 -57.704 69.029 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.528 -59.201 68.786 1.00 0.00 H new ATOM 0 HD2 LYS A 42 62.302 -57.552 67.132 1.00 0.00 H new ATOM 0 HD3 LYS A 42 61.446 -58.831 66.295 1.00 0.00 H new ATOM 0 HE2 LYS A 42 59.489 -57.487 65.975 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.945 -56.357 67.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 60.365 -55.435 65.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 61.830 -55.639 65.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 61.388 -56.734 64.648 1.00 0.00 H new ATOM 652 N ARG A 43 57.659 -61.974 69.507 1.00 0.00 N ATOM 653 CA ARG A 43 56.412 -62.716 69.365 1.00 0.00 C ATOM 654 C ARG A 43 55.924 -62.674 67.921 1.00 0.00 C ATOM 655 O ARG A 43 54.756 -62.944 67.642 1.00 0.00 O ATOM 656 CB ARG A 43 55.343 -62.122 70.284 1.00 0.00 C ATOM 657 CG ARG A 43 55.882 -62.045 71.714 1.00 0.00 C ATOM 658 CD ARG A 43 55.053 -61.044 72.520 1.00 0.00 C ATOM 659 NE ARG A 43 55.090 -59.731 71.886 1.00 0.00 N ATOM 660 CZ ARG A 43 54.626 -58.654 72.510 1.00 0.00 C ATOM 661 NH1 ARG A 43 54.126 -58.760 73.712 1.00 0.00 N ATOM 662 NH2 ARG A 43 54.670 -57.489 71.922 1.00 0.00 N ATOM 0 H ARG A 43 58.444 -62.524 69.855 1.00 0.00 H new ATOM 0 HA ARG A 43 56.596 -63.754 69.644 1.00 0.00 H new ATOM 0 HB2 ARG A 43 55.062 -61.128 69.936 1.00 0.00 H new ATOM 0 HB3 ARG A 43 54.443 -62.736 70.256 1.00 0.00 H new ATOM 0 HG2 ARG A 43 55.840 -63.028 72.183 1.00 0.00 H new ATOM 0 HG3 ARG A 43 56.929 -61.741 71.703 1.00 0.00 H new ATOM 0 HD2 ARG A 43 54.022 -61.391 72.594 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.440 -60.976 73.537 1.00 0.00 H new ATOM 0 HE ARG A 43 55.479 -59.638 70.948 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.092 -59.670 74.172 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.770 -57.933 74.191 1.00 0.00 H new ATOM 0 HH21 ARG A 43 55.061 -57.406 70.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 54.314 -56.662 72.401 1.00 0.00 H new ATOM 676 N ASN A 44 56.827 -62.334 67.007 1.00 0.00 N ATOM 677 CA ASN A 44 56.477 -62.260 65.593 1.00 0.00 C ATOM 678 C ASN A 44 56.664 -63.616 64.921 1.00 0.00 C ATOM 679 O ASN A 44 57.683 -64.279 65.114 1.00 0.00 O ATOM 680 CB ASN A 44 57.350 -61.217 64.892 1.00 0.00 C ATOM 681 CG ASN A 44 58.750 -61.778 64.665 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.365 -61.538 63.540 1.00 0.00 O flip ATOM 683 ND2 ASN A 44 59.299 -62.452 65.537 1.00 0.00 N flip ATOM 0 H ASN A 44 57.799 -62.107 67.217 1.00 0.00 H new ATOM 0 HA ASN A 44 55.429 -61.970 65.514 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.902 -60.937 63.938 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.405 -60.311 65.496 1.00 0.00 H new ATOM 0 HD21 ASN A 44 58.817 -62.639 66.416 1.00 0.00 H new ATOM 0 HD22 ASN A 44 60.236 -62.823 65.380 1.00 0.00 H new ATOM 690 N LEU A 45 55.672 -64.024 64.135 1.00 0.00 N ATOM 691 CA LEU A 45 55.744 -65.299 63.431 1.00 0.00 C ATOM 692 C LEU A 45 56.853 -65.272 62.385 1.00 0.00 C ATOM 693 O LEU A 45 56.801 -64.497 61.430 1.00 0.00 O ATOM 694 CB LEU A 45 54.407 -65.597 62.751 1.00 0.00 C ATOM 695 CG LEU A 45 53.262 -65.115 63.643 1.00 0.00 C ATOM 696 CD1 LEU A 45 51.923 -65.479 62.999 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.366 -65.787 65.013 1.00 0.00 C ATOM 0 H LEU A 45 54.816 -63.495 63.971 1.00 0.00 H new ATOM 0 HA LEU A 45 55.964 -66.081 64.158 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.361 -65.100 61.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.312 -66.667 62.565 1.00 0.00 H new ATOM 0 HG LEU A 45 53.326 -64.033 63.761 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.108 -65.135 63.635 1.00 0.00 H new ATOM 0 HD12 LEU A 45 51.847 -65.001 62.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 51.859 -66.561 62.880 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.550 -65.444 65.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.303 -66.869 64.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.319 -65.528 65.474 1.00 0.00 H new ATOM 709 N GLN A 46 57.856 -66.125 62.569 1.00 0.00 N ATOM 710 CA GLN A 46 58.971 -66.193 61.633 1.00 0.00 C ATOM 711 C GLN A 46 59.172 -67.623 61.142 1.00 0.00 C ATOM 712 O GLN A 46 59.004 -68.579 61.899 1.00 0.00 O ATOM 713 CB GLN A 46 60.252 -65.699 62.308 1.00 0.00 C ATOM 714 CG GLN A 46 60.062 -64.252 62.766 1.00 0.00 C ATOM 715 CD GLN A 46 59.807 -63.352 61.561 1.00 0.00 C ATOM 716 OE1 GLN A 46 58.686 -62.688 61.481 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 60.650 -63.252 60.671 1.00 0.00 N flip ATOM 0 H GLN A 46 57.919 -66.775 63.353 1.00 0.00 H new ATOM 0 HA GLN A 46 58.742 -65.556 60.779 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.494 -66.333 63.161 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.090 -65.765 61.614 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.225 -64.189 63.461 1.00 0.00 H new ATOM 0 HG3 GLN A 46 60.948 -63.913 63.303 1.00 0.00 H new ATOM 0 HE21 GLN A 46 61.525 -63.772 60.737 1.00 0.00 H new ATOM 0 HE22 GLN A 46 60.474 -62.649 59.867 1.00 0.00 H new ATOM 726 N CYS A 47 59.530 -67.762 59.869 1.00 0.00 N ATOM 727 CA CYS A 47 59.755 -69.081 59.288 1.00 0.00 C ATOM 728 C CYS A 47 61.183 -69.547 59.552 1.00 0.00 C ATOM 729 O CYS A 47 62.144 -68.859 59.205 1.00 0.00 O ATOM 730 CB CYS A 47 59.529 -69.035 57.776 1.00 0.00 C ATOM 731 SG CYS A 47 57.769 -68.818 57.410 1.00 0.00 S ATOM 0 H CYS A 47 59.670 -66.984 59.224 1.00 0.00 H new ATOM 0 HA CYS A 47 59.054 -69.776 59.749 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.102 -68.216 57.341 1.00 0.00 H new ATOM 0 HB3 CYS A 47 59.892 -69.956 57.319 1.00 0.00 H new ATOM 736 N ILE A 48 61.315 -70.718 60.167 1.00 0.00 N ATOM 737 CA ILE A 48 62.632 -71.275 60.454 1.00 0.00 C ATOM 738 C ILE A 48 62.965 -72.394 59.474 1.00 0.00 C ATOM 739 O ILE A 48 62.639 -73.558 59.710 1.00 0.00 O ATOM 740 CB ILE A 48 62.669 -71.818 61.883 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.516 -70.660 62.872 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.005 -72.521 62.127 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.616 -71.194 64.303 1.00 0.00 C ATOM 0 H ILE A 48 60.533 -71.296 60.474 1.00 0.00 H new ATOM 0 HA ILE A 48 63.372 -70.482 60.348 1.00 0.00 H new ATOM 0 HB ILE A 48 61.853 -72.527 62.023 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.290 -69.913 62.696 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.556 -70.165 62.723 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.032 -72.908 63.146 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.116 -73.345 61.422 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.820 -71.811 61.987 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.507 -70.369 65.007 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.826 -71.925 64.475 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.587 -71.669 64.447 1.00 0.00 H new ATOM 755 N CYS A 49 63.617 -72.036 58.373 1.00 0.00 N ATOM 756 CA CYS A 49 63.993 -73.021 57.365 1.00 0.00 C ATOM 757 C CYS A 49 64.900 -74.089 57.970 1.00 0.00 C ATOM 758 O CYS A 49 66.049 -73.816 58.316 1.00 0.00 O ATOM 759 CB CYS A 49 64.743 -72.327 56.231 1.00 0.00 C ATOM 760 SG CYS A 49 63.660 -72.123 54.795 1.00 0.00 S ATOM 0 H CYS A 49 63.894 -71.079 58.157 1.00 0.00 H new ATOM 0 HA CYS A 49 63.086 -73.492 56.987 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.102 -71.354 56.565 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.620 -72.912 55.954 1.00 0.00 H new ATOM 765 N ASP A 50 64.374 -75.303 58.094 1.00 0.00 N ATOM 766 CA ASP A 50 65.149 -76.406 58.650 1.00 0.00 C ATOM 767 C ASP A 50 65.734 -77.266 57.533 1.00 0.00 C ATOM 768 O ASP A 50 65.009 -77.752 56.665 1.00 0.00 O ATOM 769 CB ASP A 50 64.262 -77.269 59.548 1.00 0.00 C ATOM 770 CG ASP A 50 63.147 -77.905 58.724 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.401 -78.232 57.576 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.058 -78.056 59.253 1.00 0.00 O ATOM 0 H ASP A 50 63.422 -75.547 57.820 1.00 0.00 H new ATOM 0 HA ASP A 50 65.966 -75.989 59.240 1.00 0.00 H new ATOM 0 HB2 ASP A 50 64.860 -78.045 60.026 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.835 -76.660 60.344 1.00 0.00 H new ATOM 777 N TYR A 51 67.051 -77.446 57.561 1.00 0.00 N ATOM 778 CA TYR A 51 67.719 -78.273 56.562 1.00 0.00 C ATOM 779 C TYR A 51 68.083 -79.634 57.147 1.00 0.00 C ATOM 780 O TYR A 51 69.256 -79.998 57.212 1.00 0.00 O ATOM 781 CB TYR A 51 68.986 -77.572 56.069 1.00 0.00 C ATOM 782 CG TYR A 51 68.612 -76.484 55.092 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.249 -75.216 55.561 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.627 -76.742 53.716 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.903 -74.206 54.656 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.281 -75.732 52.810 1.00 0.00 C ATOM 787 CZ TYR A 51 67.918 -74.465 53.279 1.00 0.00 C ATOM 788 OH TYR A 51 67.576 -73.470 52.387 1.00 0.00 O ATOM 0 H TYR A 51 67.672 -77.035 58.258 1.00 0.00 H new ATOM 0 HA TYR A 51 67.036 -78.422 55.726 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.531 -77.147 56.912 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.650 -78.292 55.591 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.236 -75.017 56.622 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.906 -77.720 53.353 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.625 -73.228 55.019 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.294 -75.931 51.749 1.00 0.00 H new ATOM 0 HH TYR A 51 67.577 -73.832 51.476 1.00 0.00 H new ATOM 798 N CYS A 52 67.069 -80.379 57.573 1.00 0.00 N ATOM 799 CA CYS A 52 67.296 -81.691 58.169 1.00 0.00 C ATOM 800 C CYS A 52 66.046 -82.559 58.051 1.00 0.00 C ATOM 801 O CYS A 52 65.056 -82.157 57.440 1.00 0.00 O ATOM 802 CB CYS A 52 67.673 -81.535 59.644 1.00 0.00 C ATOM 803 SG CYS A 52 69.464 -81.721 59.831 1.00 0.00 S ATOM 0 H CYS A 52 66.089 -80.100 57.518 1.00 0.00 H new ATOM 0 HA CYS A 52 68.112 -82.176 57.633 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.358 -80.558 60.010 1.00 0.00 H new ATOM 0 HB3 CYS A 52 67.154 -82.282 60.244 1.00 0.00 H new ATOM 808 N GLU A 53 66.101 -83.749 58.639 1.00 0.00 N ATOM 809 CA GLU A 53 64.965 -84.662 58.601 1.00 0.00 C ATOM 810 C GLU A 53 64.024 -84.395 59.772 1.00 0.00 C ATOM 811 O GLU A 53 64.078 -85.082 60.791 1.00 0.00 O ATOM 812 CB GLU A 53 65.455 -86.110 58.656 1.00 0.00 C ATOM 813 CG GLU A 53 66.321 -86.403 57.430 1.00 0.00 C ATOM 814 CD GLU A 53 67.689 -85.749 57.589 1.00 0.00 C ATOM 815 OE1 GLU A 53 68.049 -85.440 58.713 1.00 0.00 O ATOM 816 OE2 GLU A 53 68.358 -85.567 56.586 1.00 0.00 O ATOM 0 H GLU A 53 66.914 -84.102 59.144 1.00 0.00 H new ATOM 0 HA GLU A 53 64.423 -84.499 57.670 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.029 -86.276 59.568 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.605 -86.792 58.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.436 -87.480 57.305 1.00 0.00 H new ATOM 0 HG3 GLU A 53 65.832 -86.028 56.531 1.00 0.00 H new ATOM 823 N TYR A 54 63.163 -83.395 59.617 1.00 0.00 N ATOM 824 CA TYR A 54 62.215 -83.047 60.669 1.00 0.00 C ATOM 825 C TYR A 54 61.134 -84.117 60.791 1.00 0.00 C ATOM 826 CB TYR A 54 61.566 -81.697 60.361 1.00 0.00 C ATOM 827 CG TYR A 54 60.644 -81.839 59.174 1.00 0.00 C ATOM 828 CD1 TYR A 54 59.301 -82.181 59.368 1.00 0.00 C ATOM 829 CD2 TYR A 54 61.132 -81.628 57.879 1.00 0.00 C ATOM 830 CE1 TYR A 54 58.445 -82.313 58.268 1.00 0.00 C ATOM 831 CE2 TYR A 54 60.278 -81.760 56.779 1.00 0.00 C ATOM 832 CZ TYR A 54 58.933 -82.102 56.973 1.00 0.00 C ATOM 833 OH TYR A 54 58.091 -82.231 55.888 1.00 0.00 O ATOM 0 H TYR A 54 63.102 -82.815 58.780 1.00 0.00 H new ATOM 0 HA TYR A 54 62.756 -82.983 61.613 1.00 0.00 H new ATOM 0 HB2 TYR A 54 61.008 -81.344 61.228 1.00 0.00 H new ATOM 0 HB3 TYR A 54 62.334 -80.952 60.151 1.00 0.00 H new ATOM 0 HD1 TYR A 54 58.924 -82.343 60.367 1.00 0.00 H new ATOM 0 HD2 TYR A 54 62.168 -81.363 57.729 1.00 0.00 H new ATOM 0 HE1 TYR A 54 57.409 -82.577 58.418 1.00 0.00 H new ATOM 0 HE2 TYR A 54 60.655 -81.598 55.780 1.00 0.00 H new ATOM 0 HH TYR A 54 58.589 -82.050 55.064 1.00 0.00 H new TER 843 TYR A 54