USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 36 CYS SG : rot -117:sc= -0.657 USER MOD Set 1.2: A 39 CYS SG : rot -104:sc= -3.03! USER MOD Set 1.3: A 44 HIS : no HE2:sc= -7.62! C(o=-12!,f=-12!) USER MOD Set 1.4: A 49 CYS SG : rot 89:sc= -0.656 USER MOD Set 2.1: A 15 CYS SG : rot 149:sc= -0.425! USER MOD Set 2.2: A 17 ASN :FLIP amide:sc= -1.08 F(o=-6.2,f=-5.2) USER MOD Set 2.3: A 18 CYS SG : rot -68:sc= -0.626 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.21! C(o=-5.2!,f=-10!) USER MOD Set 2.5: A 28 CYS SG : rot 101:sc= 0.168 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.05 K(o=-2,f=-9!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.47 F(o=-7.2!,f=-1.5) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.28 F(o=-4.3,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.25! C(o=-7.5!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0.807 (180deg=0.807) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -13.1! C(o=-13!,f=-24!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -46:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -28.863 5.083 9.456 1.00 0.00 N ATOM 19 CA GLN A 2 -29.768 6.174 9.139 1.00 0.00 C ATOM 20 C GLN A 2 -31.100 5.627 8.621 1.00 0.00 C ATOM 21 O GLN A 2 -32.142 5.828 9.243 1.00 0.00 O ATOM 22 CB GLN A 2 -29.138 7.132 8.125 1.00 0.00 C ATOM 23 CG GLN A 2 -27.758 7.596 8.593 1.00 0.00 C ATOM 24 CD GLN A 2 -27.324 8.861 7.848 1.00 0.00 C ATOM 25 OE1 GLN A 2 -27.492 8.994 6.647 1.00 0.00 O ATOM 26 NE2 GLN A 2 -26.756 9.779 8.626 1.00 0.00 N ATOM 0 HA GLN A 2 -29.960 6.737 10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -29.050 6.637 7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -29.787 7.996 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -27.780 7.790 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -27.028 6.803 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.646 9.604 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -26.431 10.658 8.224 1.00 0.00 H new ATOM 35 N LYS A 3 -31.022 4.944 7.489 1.00 0.00 N ATOM 36 CA LYS A 3 -32.208 4.365 6.882 1.00 0.00 C ATOM 37 C LYS A 3 -32.860 3.394 7.869 1.00 0.00 C ATOM 38 O LYS A 3 -34.083 3.355 7.990 1.00 0.00 O ATOM 39 CB LYS A 3 -31.865 3.731 5.532 1.00 0.00 C ATOM 40 CG LYS A 3 -31.438 4.795 4.519 1.00 0.00 C ATOM 41 CD LYS A 3 -32.654 5.420 3.834 1.00 0.00 C ATOM 42 CE LYS A 3 -32.242 6.192 2.580 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.813 7.564 2.934 1.00 0.00 N ATOM 0 H LYS A 3 -30.156 4.778 6.976 1.00 0.00 H new ATOM 0 HA LYS A 3 -32.942 5.141 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -31.063 3.004 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -32.730 3.188 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -30.861 5.571 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -30.784 4.348 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.366 4.639 3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.161 6.091 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.430 5.670 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.077 6.235 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.537 8.075 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.598 8.065 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.002 7.517 3.584 1.00 0.00 H new ATOM 57 N GLY A 4 -32.014 2.635 8.549 1.00 0.00 N ATOM 58 CA GLY A 4 -32.492 1.668 9.522 1.00 0.00 C ATOM 59 C GLY A 4 -33.313 2.351 10.616 1.00 0.00 C ATOM 60 O GLY A 4 -34.160 1.720 11.247 1.00 0.00 O ATOM 0 H GLY A 4 -31.000 2.670 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.101 0.915 9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.645 1.148 9.969 1.00 0.00 H new ATOM 64 N ASN A 5 -33.034 3.632 10.809 1.00 0.00 N ATOM 65 CA ASN A 5 -33.736 4.407 11.817 1.00 0.00 C ATOM 66 C ASN A 5 -35.237 4.378 11.523 1.00 0.00 C ATOM 67 O ASN A 5 -36.053 4.353 12.442 1.00 0.00 O ATOM 68 CB ASN A 5 -33.280 5.868 11.805 1.00 0.00 C ATOM 69 CG ASN A 5 -31.768 5.972 12.011 1.00 0.00 C ATOM 70 OD1 ASN A 5 -30.996 5.135 11.572 1.00 0.00 O ATOM 71 ND2 ASN A 5 -31.389 7.043 12.702 1.00 0.00 N ATOM 0 H ASN A 5 -32.331 4.152 10.284 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.518 3.969 12.791 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.554 6.330 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -33.796 6.420 12.590 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -30.400 7.203 12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.087 7.705 13.041 1.00 0.00 H new ATOM 78 N PHE A 6 -35.556 4.382 10.236 1.00 0.00 N ATOM 79 CA PHE A 6 -36.944 4.356 9.809 1.00 0.00 C ATOM 80 C PHE A 6 -37.651 3.098 10.317 1.00 0.00 C ATOM 81 O PHE A 6 -38.876 3.007 10.268 1.00 0.00 O ATOM 82 CB PHE A 6 -36.941 4.344 8.279 1.00 0.00 C ATOM 83 CG PHE A 6 -38.322 4.545 7.653 1.00 0.00 C ATOM 84 CD1 PHE A 6 -39.228 3.530 7.661 1.00 0.00 C ATOM 85 CD2 PHE A 6 -38.645 5.739 7.087 1.00 0.00 C ATOM 86 CE1 PHE A 6 -40.509 3.717 7.080 1.00 0.00 C ATOM 87 CE2 PHE A 6 -39.927 5.926 6.506 1.00 0.00 C ATOM 88 CZ PHE A 6 -40.832 4.911 6.514 1.00 0.00 C ATOM 0 H PHE A 6 -34.876 4.403 9.476 1.00 0.00 H new ATOM 0 HA PHE A 6 -37.472 5.222 10.208 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -36.273 5.128 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -36.532 3.395 7.934 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -38.972 2.582 8.110 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -37.926 6.545 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -41.228 2.911 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.183 6.874 6.058 1.00 0.00 H new ATOM 0 HZ PHE A 6 -41.807 5.053 6.071 1.00 0.00 H new ATOM 98 N ARG A 7 -36.847 2.157 10.791 1.00 0.00 N ATOM 99 CA ARG A 7 -37.380 0.907 11.306 1.00 0.00 C ATOM 100 C ARG A 7 -38.307 1.176 12.494 1.00 0.00 C ATOM 101 O ARG A 7 -39.038 0.287 12.927 1.00 0.00 O ATOM 102 CB ARG A 7 -36.255 -0.030 11.749 1.00 0.00 C ATOM 103 CG ARG A 7 -36.777 -1.452 11.961 1.00 0.00 C ATOM 104 CD ARG A 7 -35.986 -2.171 13.055 1.00 0.00 C ATOM 105 NE ARG A 7 -36.781 -3.292 13.603 1.00 0.00 N ATOM 106 CZ ARG A 7 -36.506 -3.914 14.757 1.00 0.00 C ATOM 107 NH1 ARG A 7 -35.455 -3.528 15.493 1.00 0.00 N ATOM 108 NH2 ARG A 7 -37.283 -4.922 15.176 1.00 0.00 N ATOM 0 H ARG A 7 -35.831 2.235 10.829 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.941 0.429 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.466 -0.037 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.812 0.340 12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.832 -1.419 12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.706 -2.012 11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.046 -2.546 12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.733 -1.471 13.851 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.589 -3.611 13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.864 -2.760 15.175 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.246 -4.002 16.372 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -38.084 -5.215 14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -37.074 -5.396 16.055 1.00 0.00 H new ATOM 122 N ASN A 8 -38.248 2.405 12.984 1.00 0.00 N ATOM 123 CA ASN A 8 -39.072 2.801 14.112 1.00 0.00 C ATOM 124 C ASN A 8 -40.547 2.626 13.746 1.00 0.00 C ATOM 125 O ASN A 8 -41.416 2.659 14.617 1.00 0.00 O ATOM 126 CB ASN A 8 -38.846 4.270 14.472 1.00 0.00 C ATOM 127 CG ASN A 8 -39.457 5.194 13.416 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.779 5.304 13.494 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -38.772 5.768 12.585 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.642 3.140 12.620 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.801 2.176 14.963 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.288 4.482 15.445 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.777 4.467 14.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -37.760 5.639 12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.211 6.377 11.894 1.00 0.00 H new ATOM 136 N GLN A 9 -40.787 2.443 12.456 1.00 0.00 N ATOM 137 CA GLN A 9 -42.142 2.263 11.964 1.00 0.00 C ATOM 138 C GLN A 9 -42.822 1.104 12.694 1.00 0.00 C ATOM 139 O GLN A 9 -44.028 1.136 12.928 1.00 0.00 O ATOM 140 CB GLN A 9 -42.149 2.038 10.450 1.00 0.00 C ATOM 141 CG GLN A 9 -43.563 2.179 9.882 1.00 0.00 C ATOM 142 CD GLN A 9 -43.803 3.595 9.354 1.00 0.00 C ATOM 143 OE1 GLN A 9 -45.003 4.086 9.651 1.00 0.00 O flip ATOM 144 NE2 GLN A 9 -42.955 4.201 8.721 1.00 0.00 N flip ATOM 0 H GLN A 9 -40.065 2.416 11.736 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.706 3.174 12.166 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.486 2.757 9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -41.760 1.045 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -43.709 1.458 9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.295 1.947 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -42.054 3.764 8.528 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -43.147 5.145 8.385 1.00 0.00 H new ATOM 153 N ARG A 10 -42.017 0.107 13.034 1.00 0.00 N ATOM 154 CA ARG A 10 -42.527 -1.060 13.733 1.00 0.00 C ATOM 155 C ARG A 10 -43.238 -0.639 15.021 1.00 0.00 C ATOM 156 O ARG A 10 -44.020 -1.405 15.582 1.00 0.00 O ATOM 157 CB ARG A 10 -41.398 -2.033 14.077 1.00 0.00 C ATOM 158 CG ARG A 10 -41.956 -3.355 14.609 1.00 0.00 C ATOM 159 CD ARG A 10 -41.775 -4.478 13.585 1.00 0.00 C ATOM 160 NE ARG A 10 -40.809 -5.476 14.095 1.00 0.00 N ATOM 161 CZ ARG A 10 -40.760 -6.751 13.684 1.00 0.00 C ATOM 162 NH1 ARG A 10 -41.621 -7.190 12.756 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.849 -7.587 14.202 1.00 0.00 N ATOM 0 H ARG A 10 -41.016 0.084 12.838 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.233 -1.560 13.071 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.792 -2.220 13.191 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.742 -1.585 14.823 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.451 -3.620 15.538 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -43.014 -3.239 14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -42.734 -4.957 13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -41.421 -4.066 12.640 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.139 -5.175 14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -42.314 -6.554 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.583 -8.160 12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -39.194 -7.253 14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.811 -8.557 13.890 1.00 0.00 H new ATOM 177 N LYS A 11 -42.941 0.578 15.453 1.00 0.00 N ATOM 178 CA LYS A 11 -43.541 1.110 16.665 1.00 0.00 C ATOM 179 C LYS A 11 -44.152 2.481 16.366 1.00 0.00 C ATOM 180 O LYS A 11 -44.011 3.412 17.158 1.00 0.00 O ATOM 181 CB LYS A 11 -42.522 1.126 17.806 1.00 0.00 C ATOM 182 CG LYS A 11 -42.960 0.206 18.946 1.00 0.00 C ATOM 183 CD LYS A 11 -42.588 0.800 20.305 1.00 0.00 C ATOM 184 CE LYS A 11 -43.183 -0.025 21.447 1.00 0.00 C ATOM 185 NZ LYS A 11 -42.853 0.585 22.755 1.00 0.00 N ATOM 0 H LYS A 11 -42.292 1.211 14.985 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.352 0.465 17.003 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.548 0.810 17.433 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -42.405 2.143 18.180 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -44.037 0.048 18.897 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.489 -0.770 18.831 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -41.503 0.836 20.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -42.948 1.827 20.368 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -44.265 -0.089 21.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -42.797 -1.044 21.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -43.265 0.012 23.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -41.820 0.624 22.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -43.242 1.549 22.797 1.00 0.00 H new ATOM 199 N THR A 12 -44.815 2.561 15.223 1.00 0.00 N ATOM 200 CA THR A 12 -45.447 3.803 14.810 1.00 0.00 C ATOM 201 C THR A 12 -44.394 4.803 14.328 1.00 0.00 C ATOM 202 O THR A 12 -43.259 4.789 14.799 1.00 0.00 O ATOM 203 CB THR A 12 -46.284 4.320 15.982 1.00 0.00 C ATOM 204 OG1 THR A 12 -47.081 3.200 16.360 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.305 5.374 15.552 1.00 0.00 C ATOM 0 H THR A 12 -44.929 1.786 14.569 1.00 0.00 H new ATOM 0 HA THR A 12 -46.112 3.645 13.961 1.00 0.00 H new ATOM 0 HB THR A 12 -45.624 4.741 16.741 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.654 3.446 17.116 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.872 5.707 16.421 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.786 6.224 15.110 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.986 4.943 14.818 1.00 0.00 H new ATOM 213 N VAL A 13 -44.810 5.647 13.395 1.00 0.00 N ATOM 214 CA VAL A 13 -43.917 6.652 12.843 1.00 0.00 C ATOM 215 C VAL A 13 -44.511 8.042 13.082 1.00 0.00 C ATOM 216 O VAL A 13 -45.536 8.176 13.748 1.00 0.00 O ATOM 217 CB VAL A 13 -43.651 6.362 11.365 1.00 0.00 C ATOM 218 CG1 VAL A 13 -44.734 6.984 10.480 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.260 6.846 10.952 1.00 0.00 C ATOM 0 H VAL A 13 -45.753 5.656 13.007 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.950 6.620 13.345 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.684 5.282 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.521 6.763 9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.706 6.569 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -44.748 8.064 10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.097 6.627 9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.185 7.921 11.115 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.505 6.335 11.549 1.00 0.00 H new ATOM 229 N LYS A 14 -43.841 9.040 12.526 1.00 0.00 N ATOM 230 CA LYS A 14 -44.289 10.415 12.671 1.00 0.00 C ATOM 231 C LYS A 14 -44.536 11.014 11.285 1.00 0.00 C ATOM 232 O LYS A 14 -43.609 11.144 10.487 1.00 0.00 O ATOM 233 CB LYS A 14 -43.300 11.215 13.520 1.00 0.00 C ATOM 234 CG LYS A 14 -43.687 12.694 13.565 1.00 0.00 C ATOM 235 CD LYS A 14 -42.446 13.585 13.646 1.00 0.00 C ATOM 236 CE LYS A 14 -42.788 14.950 14.245 1.00 0.00 C ATOM 237 NZ LYS A 14 -41.655 15.461 15.050 1.00 0.00 N ATOM 0 H LYS A 14 -42.991 8.924 11.974 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.236 10.453 13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.274 10.811 14.532 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.296 11.111 13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.265 12.949 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.329 12.879 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -41.684 13.098 14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -42.023 13.717 12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.023 15.655 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.678 14.867 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -41.903 16.388 15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.450 14.795 15.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -40.815 15.559 14.444 1.00 0.00 H new ATOM 251 N CYS A 15 -45.791 11.363 11.041 1.00 0.00 N ATOM 252 CA CYS A 15 -46.172 11.946 9.766 1.00 0.00 C ATOM 253 C CYS A 15 -45.830 13.436 9.797 1.00 0.00 C ATOM 254 O CYS A 15 -46.507 14.218 10.463 1.00 0.00 O ATOM 255 CB CYS A 15 -47.649 11.706 9.452 1.00 0.00 C ATOM 256 SG CYS A 15 -48.016 12.216 7.734 1.00 0.00 S ATOM 0 H CYS A 15 -46.557 11.253 11.705 1.00 0.00 H new ATOM 0 HA CYS A 15 -45.615 11.463 8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -47.891 10.652 9.586 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.273 12.267 10.148 1.00 0.00 H new ATOM 0 HG CYS A 15 -48.962 11.466 7.252 1.00 0.00 H new ATOM 261 N PHE A 16 -44.778 13.786 9.069 1.00 0.00 N ATOM 262 CA PHE A 16 -44.339 15.169 9.006 1.00 0.00 C ATOM 263 C PHE A 16 -45.284 16.006 8.142 1.00 0.00 C ATOM 264 O PHE A 16 -45.066 17.203 7.959 1.00 0.00 O ATOM 265 CB PHE A 16 -42.948 15.167 8.366 1.00 0.00 C ATOM 266 CG PHE A 16 -42.916 15.737 6.947 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.271 14.957 5.892 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.531 17.026 6.741 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.240 15.487 4.574 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.502 17.556 5.424 1.00 0.00 C ATOM 271 CZ PHE A 16 -42.856 16.775 4.368 1.00 0.00 C ATOM 0 H PHE A 16 -44.218 13.135 8.518 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.327 15.602 10.006 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.269 15.744 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -42.570 14.145 8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -43.577 13.934 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -42.248 17.646 7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.521 14.867 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.199 18.580 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 16 -42.832 17.178 3.366 1.00 0.00 H new ATOM 281 N ASN A 17 -46.311 15.343 7.633 1.00 0.00 N ATOM 282 CA ASN A 17 -47.291 16.011 6.792 1.00 0.00 C ATOM 283 C ASN A 17 -48.513 16.382 7.635 1.00 0.00 C ATOM 284 O ASN A 17 -48.686 17.541 8.005 1.00 0.00 O ATOM 285 CB ASN A 17 -47.759 15.096 5.658 1.00 0.00 C ATOM 286 CG ASN A 17 -49.082 15.587 5.068 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.953 14.616 4.811 1.00 0.00 O flip ATOM 288 ND2 ASN A 17 -49.297 16.770 4.860 1.00 0.00 N flip ATOM 0 H ASN A 17 -46.487 14.350 7.786 1.00 0.00 H new ATOM 0 HA ASN A 17 -46.822 16.899 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -46.999 15.061 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -47.879 14.079 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -48.583 17.465 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.190 17.064 4.465 1.00 0.00 H new ATOM 295 N CYS A 18 -49.327 15.375 7.914 1.00 0.00 N ATOM 296 CA CYS A 18 -50.528 15.580 8.706 1.00 0.00 C ATOM 297 C CYS A 18 -50.108 15.858 10.151 1.00 0.00 C ATOM 298 O CYS A 18 -50.781 16.601 10.864 1.00 0.00 O ATOM 299 CB CYS A 18 -51.481 14.387 8.609 1.00 0.00 C ATOM 300 SG CYS A 18 -50.706 12.905 9.353 1.00 0.00 S ATOM 0 H CYS A 18 -49.179 14.414 7.606 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.081 16.435 8.317 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.416 14.615 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -51.729 14.193 7.565 1.00 0.00 H new ATOM 0 HG CYS A 18 -49.701 12.526 8.620 1.00 0.00 H new ATOM 305 N GLY A 19 -48.997 15.249 10.538 1.00 0.00 N ATOM 306 CA GLY A 19 -48.480 15.422 11.885 1.00 0.00 C ATOM 307 C GLY A 19 -48.743 14.179 12.738 1.00 0.00 C ATOM 308 O GLY A 19 -47.961 13.857 13.631 1.00 0.00 O ATOM 0 H GLY A 19 -48.441 14.635 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.409 15.619 11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -48.947 16.291 12.349 1.00 0.00 H new ATOM 312 N LYS A 20 -49.847 13.514 12.433 1.00 0.00 N ATOM 313 CA LYS A 20 -50.224 12.313 13.159 1.00 0.00 C ATOM 314 C LYS A 20 -49.040 11.344 13.182 1.00 0.00 C ATOM 315 O LYS A 20 -47.959 11.668 12.693 1.00 0.00 O ATOM 316 CB LYS A 20 -51.502 11.710 12.573 1.00 0.00 C ATOM 317 CG LYS A 20 -52.485 11.327 13.680 1.00 0.00 C ATOM 318 CD LYS A 20 -53.932 11.509 13.216 1.00 0.00 C ATOM 319 CE LYS A 20 -54.285 12.992 13.093 1.00 0.00 C ATOM 320 NZ LYS A 20 -55.752 13.180 13.132 1.00 0.00 N ATOM 0 H LYS A 20 -50.494 13.784 11.692 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.460 12.553 14.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.970 12.427 11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.254 10.829 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.321 10.290 13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.302 11.941 14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.074 11.017 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.608 11.028 13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.819 13.551 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -53.886 13.391 12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.975 14.192 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.189 12.662 12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.125 12.818 14.033 1.00 0.00 H new ATOM 334 N GLU A 21 -49.285 10.175 13.754 1.00 0.00 N ATOM 335 CA GLU A 21 -48.253 9.156 13.847 1.00 0.00 C ATOM 336 C GLU A 21 -48.796 7.806 13.377 1.00 0.00 C ATOM 337 O GLU A 21 -50.006 7.584 13.381 1.00 0.00 O ATOM 338 CB GLU A 21 -47.704 9.061 15.272 1.00 0.00 C ATOM 339 CG GLU A 21 -48.836 8.888 16.286 1.00 0.00 C ATOM 340 CD GLU A 21 -49.401 10.245 16.713 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.628 11.015 17.323 1.00 0.00 O ATOM 342 OE2 GLU A 21 -50.592 10.481 16.418 1.00 0.00 O ATOM 0 H GLU A 21 -50.183 9.910 14.158 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.428 9.441 13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.015 8.220 15.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.135 9.961 15.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.629 8.280 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.467 8.352 17.161 1.00 0.00 H new ATOM 349 N GLY A 22 -47.875 6.938 12.984 1.00 0.00 N ATOM 350 CA GLY A 22 -48.247 5.615 12.511 1.00 0.00 C ATOM 351 C GLY A 22 -47.858 5.427 11.043 1.00 0.00 C ATOM 352 O GLY A 22 -47.498 4.326 10.629 1.00 0.00 O ATOM 0 H GLY A 22 -46.872 7.125 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.757 4.856 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.321 5.472 12.627 1.00 0.00 H new ATOM 356 N HIS A 23 -47.943 6.519 10.298 1.00 0.00 N ATOM 357 CA HIS A 23 -47.604 6.488 8.885 1.00 0.00 C ATOM 358 C HIS A 23 -46.795 7.735 8.525 1.00 0.00 C ATOM 359 O HIS A 23 -46.546 8.586 9.377 1.00 0.00 O ATOM 360 CB HIS A 23 -48.862 6.330 8.029 1.00 0.00 C ATOM 361 CG HIS A 23 -49.744 7.555 8.000 1.00 0.00 C ATOM 362 ND1 HIS A 23 -50.851 7.701 8.820 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.672 8.688 7.245 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.411 8.873 8.560 1.00 0.00 C ATOM 365 NE2 HIS A 23 -50.679 9.483 7.583 1.00 0.00 N ATOM 0 H HIS A 23 -48.241 7.430 10.646 1.00 0.00 H new ATOM 0 HA HIS A 23 -46.980 5.619 8.675 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.566 6.084 7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.441 5.487 8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -48.922 8.902 6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.292 9.275 9.037 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -50.874 10.399 7.179 1.00 0.00 H new ATOM 373 N ILE A 24 -46.406 7.803 7.260 1.00 0.00 N ATOM 374 CA ILE A 24 -45.629 8.933 6.776 1.00 0.00 C ATOM 375 C ILE A 24 -46.387 9.616 5.635 1.00 0.00 C ATOM 376 O ILE A 24 -47.278 9.020 5.032 1.00 0.00 O ATOM 377 CB ILE A 24 -44.216 8.486 6.395 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.257 7.314 5.413 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.390 8.162 7.641 1.00 0.00 C ATOM 380 CD1 ILE A 24 -42.847 6.922 4.968 1.00 0.00 C ATOM 0 H ILE A 24 -46.614 7.095 6.556 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.503 9.675 7.564 1.00 0.00 H new ATOM 0 HB ILE A 24 -43.721 9.313 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.745 6.459 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -44.855 7.585 4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.390 7.847 7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.318 9.049 8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -43.872 7.359 8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -42.905 6.087 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.371 7.771 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.259 6.628 5.838 1.00 0.00 H new ATOM 392 N ALA A 25 -46.004 10.857 5.374 1.00 0.00 N ATOM 393 CA ALA A 25 -46.636 11.628 4.317 1.00 0.00 C ATOM 394 C ALA A 25 -46.570 10.838 3.007 1.00 0.00 C ATOM 395 O ALA A 25 -47.512 10.862 2.216 1.00 0.00 O ATOM 396 CB ALA A 25 -45.960 12.996 4.208 1.00 0.00 C ATOM 0 H ALA A 25 -45.264 11.348 5.876 1.00 0.00 H new ATOM 0 HA ALA A 25 -47.688 11.802 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.434 13.574 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.060 13.528 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -44.903 12.862 3.977 1.00 0.00 H new ATOM 402 N LYS A 26 -45.449 10.159 2.820 1.00 0.00 N ATOM 403 CA LYS A 26 -45.247 9.365 1.620 1.00 0.00 C ATOM 404 C LYS A 26 -46.551 8.649 1.262 1.00 0.00 C ATOM 405 O LYS A 26 -46.816 8.381 0.090 1.00 0.00 O ATOM 406 CB LYS A 26 -44.056 8.421 1.796 1.00 0.00 C ATOM 407 CG LYS A 26 -44.442 6.980 1.451 1.00 0.00 C ATOM 408 CD LYS A 26 -43.260 6.032 1.656 1.00 0.00 C ATOM 409 CE LYS A 26 -41.933 6.742 1.382 1.00 0.00 C ATOM 410 NZ LYS A 26 -40.795 5.827 1.626 1.00 0.00 N ATOM 0 H LYS A 26 -44.671 10.142 3.479 1.00 0.00 H new ATOM 0 HA LYS A 26 -44.993 10.007 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.234 8.744 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.698 8.469 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.278 6.664 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -44.779 6.928 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.268 5.651 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.360 5.172 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -41.909 7.095 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.845 7.620 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -39.902 6.325 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -40.810 5.511 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -40.872 5.002 0.998 1.00 0.00 H new ATOM 424 N ASN A 27 -47.332 8.359 2.292 1.00 0.00 N ATOM 425 CA ASN A 27 -48.602 7.681 2.102 1.00 0.00 C ATOM 426 C ASN A 27 -49.571 8.100 3.208 1.00 0.00 C ATOM 427 O ASN A 27 -50.086 7.257 3.941 1.00 0.00 O ATOM 428 CB ASN A 27 -48.431 6.163 2.174 1.00 0.00 C ATOM 429 CG ASN A 27 -47.209 5.787 3.015 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.080 6.501 4.129 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.435 4.908 2.675 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.109 8.582 3.262 1.00 0.00 H new ATOM 0 HA ASN A 27 -48.986 7.955 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.325 5.713 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.323 5.758 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.593 4.398 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.630 4.683 3.260 1.00 0.00 H new ATOM 438 N CYS A 28 -49.792 9.403 3.296 1.00 0.00 N ATOM 439 CA CYS A 28 -50.690 9.946 4.301 1.00 0.00 C ATOM 440 C CYS A 28 -52.120 9.545 3.934 1.00 0.00 C ATOM 441 O CYS A 28 -52.436 9.366 2.758 1.00 0.00 O ATOM 442 CB CYS A 28 -50.539 11.462 4.437 1.00 0.00 C ATOM 443 SG CYS A 28 -51.667 12.090 5.734 1.00 0.00 S ATOM 0 H CYS A 28 -49.364 10.100 2.687 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.437 9.534 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.508 11.712 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -50.761 11.945 3.485 1.00 0.00 H new ATOM 0 HG CYS A 28 -50.998 12.293 6.830 1.00 0.00 H new ATOM 448 N ARG A 29 -52.947 9.415 4.961 1.00 0.00 N ATOM 449 CA ARG A 29 -54.336 9.039 4.761 1.00 0.00 C ATOM 450 C ARG A 29 -55.254 10.230 5.047 1.00 0.00 C ATOM 451 O ARG A 29 -56.393 10.050 5.475 1.00 0.00 O ATOM 452 CB ARG A 29 -54.727 7.873 5.670 1.00 0.00 C ATOM 453 CG ARG A 29 -56.050 7.248 5.222 1.00 0.00 C ATOM 454 CD ARG A 29 -56.889 6.819 6.427 1.00 0.00 C ATOM 455 NE ARG A 29 -58.060 7.712 6.573 1.00 0.00 N ATOM 456 CZ ARG A 29 -58.942 7.636 7.580 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.789 6.709 8.535 1.00 0.00 N ATOM 458 NH2 ARG A 29 -59.974 8.489 7.632 1.00 0.00 N ATOM 0 H ARG A 29 -52.681 9.563 5.935 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.450 8.729 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -53.941 7.118 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.816 8.223 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.610 7.965 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.852 6.385 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.221 5.788 6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.283 6.850 7.332 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.205 8.430 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.002 6.062 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.460 6.651 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.088 9.196 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.645 8.431 8.398 1.00 0.00 H new ATOM 472 N ALA A 30 -54.725 11.418 4.796 1.00 0.00 N ATOM 473 CA ALA A 30 -55.484 12.637 5.022 1.00 0.00 C ATOM 474 C ALA A 30 -56.928 12.425 4.567 1.00 0.00 C ATOM 475 O ALA A 30 -57.190 11.622 3.672 1.00 0.00 O ATOM 476 CB ALA A 30 -54.808 13.801 4.293 1.00 0.00 C ATOM 0 H ALA A 30 -53.781 11.563 4.439 1.00 0.00 H new ATOM 0 HA ALA A 30 -55.506 12.885 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.377 14.715 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -53.794 13.929 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.771 13.589 3.224 1.00 0.00 H new ATOM 482 N PRO A 31 -57.853 13.178 5.219 1.00 0.00 N ATOM 483 CA PRO A 31 -59.265 13.081 4.891 1.00 0.00 C ATOM 484 C PRO A 31 -59.571 13.789 3.570 1.00 0.00 C ATOM 485 O PRO A 31 -60.513 14.574 3.485 1.00 0.00 O ATOM 486 CB PRO A 31 -59.988 13.699 6.077 1.00 0.00 C ATOM 487 CG PRO A 31 -58.950 14.536 6.808 1.00 0.00 C ATOM 488 CD PRO A 31 -57.579 14.141 6.284 1.00 0.00 C ATOM 0 HA PRO A 31 -59.591 12.053 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -60.824 14.315 5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.398 12.928 6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.131 15.598 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.011 14.366 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.035 15.006 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -56.967 13.699 7.070 1.00 0.00 H new ATOM 496 N ARG A 32 -58.756 13.484 2.570 1.00 0.00 N ATOM 497 CA ARG A 32 -58.927 14.081 1.256 1.00 0.00 C ATOM 498 C ARG A 32 -57.740 13.733 0.357 1.00 0.00 C ATOM 499 O ARG A 32 -56.718 13.243 0.832 1.00 0.00 O ATOM 500 CB ARG A 32 -59.056 15.602 1.355 1.00 0.00 C ATOM 501 CG ARG A 32 -60.511 16.042 1.179 1.00 0.00 C ATOM 502 CD ARG A 32 -60.828 17.251 2.064 1.00 0.00 C ATOM 503 NE ARG A 32 -61.740 16.851 3.159 1.00 0.00 N ATOM 504 CZ ARG A 32 -63.072 16.776 3.038 1.00 0.00 C ATOM 505 NH1 ARG A 32 -63.657 17.074 1.870 1.00 0.00 N ATOM 506 NH2 ARG A 32 -63.820 16.405 4.086 1.00 0.00 N ATOM 0 H ARG A 32 -57.976 12.831 2.644 1.00 0.00 H new ATOM 0 HA ARG A 32 -59.843 13.678 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.685 15.940 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -58.435 16.073 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -60.695 16.293 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -61.177 15.217 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -59.907 17.661 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -61.287 18.039 1.467 1.00 0.00 H new ATOM 0 HE ARG A 32 -61.328 16.618 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -63.088 17.358 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -64.671 17.017 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -63.375 16.180 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -64.834 16.348 3.994 1.00 0.00 H new ATOM 520 N LYS A 33 -57.915 14.001 -0.929 1.00 0.00 N ATOM 521 CA LYS A 33 -56.871 13.722 -1.901 1.00 0.00 C ATOM 522 C LYS A 33 -55.835 14.848 -1.866 1.00 0.00 C ATOM 523 O LYS A 33 -54.693 14.632 -1.463 1.00 0.00 O ATOM 524 CB LYS A 33 -57.477 13.487 -3.286 1.00 0.00 C ATOM 525 CG LYS A 33 -57.512 11.995 -3.623 1.00 0.00 C ATOM 526 CD LYS A 33 -58.851 11.606 -4.252 1.00 0.00 C ATOM 527 CE LYS A 33 -58.641 10.865 -5.575 1.00 0.00 C ATOM 528 NZ LYS A 33 -58.904 9.419 -5.405 1.00 0.00 N ATOM 0 H LYS A 33 -58.764 14.408 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 33 -56.350 12.799 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -58.487 13.895 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -56.894 14.020 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -56.700 11.755 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -57.348 11.410 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -59.411 10.974 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -59.450 12.500 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -59.304 11.274 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -57.620 11.016 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -58.757 8.931 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -58.254 9.029 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -59.886 9.279 -5.091 1.00 0.00 H new ATOM 542 N LYS A 34 -56.270 16.023 -2.292 1.00 0.00 N ATOM 543 CA LYS A 34 -55.395 17.183 -2.315 1.00 0.00 C ATOM 544 C LYS A 34 -56.038 18.318 -1.517 1.00 0.00 C ATOM 545 O LYS A 34 -57.207 18.640 -1.719 1.00 0.00 O ATOM 546 CB LYS A 34 -55.048 17.565 -3.756 1.00 0.00 C ATOM 547 CG LYS A 34 -54.757 19.062 -3.871 1.00 0.00 C ATOM 548 CD LYS A 34 -54.496 19.459 -5.325 1.00 0.00 C ATOM 549 CE LYS A 34 -55.787 19.919 -6.007 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.501 20.425 -7.369 1.00 0.00 N ATOM 0 H LYS A 34 -57.218 16.198 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 34 -54.445 16.952 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -54.180 16.996 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -55.874 17.300 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -55.601 19.631 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -53.891 19.316 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -53.757 20.259 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -54.076 18.612 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -56.492 19.090 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -56.260 20.701 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -56.387 20.733 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -54.845 21.230 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -55.070 19.668 -7.937 1.00 0.00 H new ATOM 564 N GLY A 35 -55.245 18.894 -0.624 1.00 0.00 N ATOM 565 CA GLY A 35 -55.723 19.987 0.206 1.00 0.00 C ATOM 566 C GLY A 35 -54.554 20.782 0.792 1.00 0.00 C ATOM 567 O GLY A 35 -53.496 20.221 1.073 1.00 0.00 O ATOM 0 H GLY A 35 -54.276 18.624 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -56.356 20.648 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -56.340 19.592 1.013 1.00 0.00 H new ATOM 571 N CYS A 36 -54.785 22.075 0.959 1.00 0.00 N ATOM 572 CA CYS A 36 -53.764 22.953 1.506 1.00 0.00 C ATOM 573 C CYS A 36 -53.620 22.650 2.999 1.00 0.00 C ATOM 574 O CYS A 36 -54.479 23.024 3.798 1.00 0.00 O ATOM 575 CB CYS A 36 -54.089 24.427 1.253 1.00 0.00 C ATOM 576 SG CYS A 36 -52.758 25.487 1.926 1.00 0.00 S ATOM 0 H CYS A 36 -55.664 22.537 0.725 1.00 0.00 H new ATOM 0 HA CYS A 36 -52.815 22.767 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.201 24.605 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.040 24.683 1.720 1.00 0.00 H new ATOM 0 HG CYS A 36 -53.238 26.237 2.873 1.00 0.00 H new ATOM 581 N TRP A 37 -52.529 21.975 3.331 1.00 0.00 N ATOM 582 CA TRP A 37 -52.262 21.618 4.714 1.00 0.00 C ATOM 583 C TRP A 37 -51.467 22.758 5.352 1.00 0.00 C ATOM 584 O TRP A 37 -50.809 22.565 6.374 1.00 0.00 O ATOM 585 CB TRP A 37 -51.548 20.267 4.803 1.00 0.00 C ATOM 586 CG TRP A 37 -50.081 20.366 5.227 1.00 0.00 C ATOM 587 CD1 TRP A 37 -49.445 19.655 6.168 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.088 21.261 4.683 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.119 20.024 6.270 1.00 0.00 N ATOM 590 CE2 TRP A 37 -47.894 21.032 5.338 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.192 22.231 3.671 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -46.717 21.733 5.054 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.007 22.923 3.398 1.00 0.00 C ATOM 594 CH2 TRP A 37 -46.798 22.704 4.049 1.00 0.00 C ATOM 0 H TRP A 37 -51.820 21.666 2.666 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.193 21.492 5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.079 19.633 5.513 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -51.603 19.774 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -49.911 18.890 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -47.430 19.630 6.911 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.115 22.427 3.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -45.796 21.536 5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.033 23.680 2.628 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -45.925 23.281 3.780 1.00 0.00 H new ATOM 605 N LYS A 38 -51.552 23.921 4.723 1.00 0.00 N ATOM 606 CA LYS A 38 -50.849 25.093 5.217 1.00 0.00 C ATOM 607 C LYS A 38 -51.862 26.094 5.774 1.00 0.00 C ATOM 608 O LYS A 38 -51.556 26.840 6.703 1.00 0.00 O ATOM 609 CB LYS A 38 -49.945 25.674 4.127 1.00 0.00 C ATOM 610 CG LYS A 38 -49.083 26.810 4.678 1.00 0.00 C ATOM 611 CD LYS A 38 -49.490 28.154 4.069 1.00 0.00 C ATOM 612 CE LYS A 38 -48.374 28.716 3.185 1.00 0.00 C ATOM 613 NZ LYS A 38 -48.943 29.497 2.065 1.00 0.00 N ATOM 0 H LYS A 38 -52.097 24.077 3.875 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.186 24.821 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.305 24.889 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.555 26.043 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.183 26.853 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.033 26.612 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -50.398 28.030 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -49.721 28.863 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.715 29.349 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -47.766 27.900 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.172 29.871 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -49.553 28.883 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -49.504 30.287 2.443 1.00 0.00 H new ATOM 627 N CYS A 39 -53.048 26.078 5.184 1.00 0.00 N ATOM 628 CA CYS A 39 -54.108 26.975 5.610 1.00 0.00 C ATOM 629 C CYS A 39 -55.203 26.142 6.280 1.00 0.00 C ATOM 630 O CYS A 39 -55.726 26.522 7.325 1.00 0.00 O ATOM 631 CB CYS A 39 -54.654 27.800 4.443 1.00 0.00 C ATOM 632 SG CYS A 39 -55.429 26.698 3.204 1.00 0.00 S ATOM 0 H CYS A 39 -53.298 25.458 4.414 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.712 27.695 6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.385 28.521 4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.848 28.370 3.981 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.633 26.562 2.185 1.00 0.00 H new ATOM 637 N GLY A 40 -55.517 25.019 5.649 1.00 0.00 N ATOM 638 CA GLY A 40 -56.540 24.128 6.171 1.00 0.00 C ATOM 639 C GLY A 40 -57.761 24.095 5.249 1.00 0.00 C ATOM 640 O GLY A 40 -58.886 23.912 5.711 1.00 0.00 O ATOM 0 H GLY A 40 -55.081 24.706 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.132 23.123 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.840 24.456 7.166 1.00 0.00 H new ATOM 644 N LYS A 41 -57.496 24.277 3.964 1.00 0.00 N ATOM 645 CA LYS A 41 -58.560 24.270 2.973 1.00 0.00 C ATOM 646 C LYS A 41 -58.230 23.247 1.885 1.00 0.00 C ATOM 647 O LYS A 41 -57.162 23.303 1.278 1.00 0.00 O ATOM 648 CB LYS A 41 -58.801 25.683 2.437 1.00 0.00 C ATOM 649 CG LYS A 41 -60.009 26.329 3.119 1.00 0.00 C ATOM 650 CD LYS A 41 -60.257 27.738 2.575 1.00 0.00 C ATOM 651 CE LYS A 41 -61.740 28.104 2.657 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.934 29.545 2.382 1.00 0.00 N ATOM 0 H LYS A 41 -56.561 24.430 3.586 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.502 23.961 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.915 26.295 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.964 25.644 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.894 25.713 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.842 26.375 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.669 28.459 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.921 27.796 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.307 27.511 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -62.126 27.861 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -62.946 29.777 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.409 30.106 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -61.584 29.767 1.428 1.00 0.00 H new ATOM 666 N GLU A 42 -59.168 22.337 1.669 1.00 0.00 N ATOM 667 CA GLU A 42 -58.991 21.303 0.664 1.00 0.00 C ATOM 668 C GLU A 42 -59.346 21.844 -0.722 1.00 0.00 C ATOM 669 O GLU A 42 -59.929 22.920 -0.842 1.00 0.00 O ATOM 670 CB GLU A 42 -59.824 20.065 0.998 1.00 0.00 C ATOM 671 CG GLU A 42 -61.321 20.365 0.890 1.00 0.00 C ATOM 672 CD GLU A 42 -61.912 19.757 -0.382 1.00 0.00 C ATOM 673 OE1 GLU A 42 -61.728 20.381 -1.449 1.00 0.00 O ATOM 674 OE2 GLU A 42 -62.536 18.680 -0.260 1.00 0.00 O ATOM 0 H GLU A 42 -60.054 22.294 2.173 1.00 0.00 H new ATOM 0 HA GLU A 42 -57.943 21.005 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -59.563 19.253 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -59.589 19.726 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -61.839 19.967 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -61.480 21.443 0.890 1.00 0.00 H new ATOM 681 N GLY A 43 -58.977 21.073 -1.735 1.00 0.00 N ATOM 682 CA GLY A 43 -59.249 21.462 -3.109 1.00 0.00 C ATOM 683 C GLY A 43 -58.088 22.273 -3.689 1.00 0.00 C ATOM 684 O GLY A 43 -58.200 22.833 -4.778 1.00 0.00 O ATOM 0 H GLY A 43 -58.492 20.181 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -59.415 20.572 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.165 22.051 -3.149 1.00 0.00 H new ATOM 688 N HIS A 44 -57.000 22.311 -2.934 1.00 0.00 N ATOM 689 CA HIS A 44 -55.819 23.043 -3.360 1.00 0.00 C ATOM 690 C HIS A 44 -54.655 22.734 -2.417 1.00 0.00 C ATOM 691 O HIS A 44 -54.789 21.916 -1.508 1.00 0.00 O ATOM 692 CB HIS A 44 -56.116 24.540 -3.463 1.00 0.00 C ATOM 693 CG HIS A 44 -56.003 25.281 -2.152 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.960 25.194 -1.155 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.034 26.120 -1.684 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.575 25.953 -0.140 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.382 26.526 -0.469 1.00 0.00 N ATOM 0 H HIS A 44 -56.911 21.847 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 44 -55.527 22.719 -4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.429 24.987 -4.182 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.123 24.674 -3.858 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.815 24.640 -1.195 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.136 26.405 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.112 26.094 0.786 1.00 0.00 H new ATOM 705 N GLN A 45 -53.539 23.404 -2.666 1.00 0.00 N ATOM 706 CA GLN A 45 -52.353 23.211 -1.850 1.00 0.00 C ATOM 707 C GLN A 45 -51.726 24.562 -1.496 1.00 0.00 C ATOM 708 O GLN A 45 -52.124 25.594 -2.033 1.00 0.00 O ATOM 709 CB GLN A 45 -51.342 22.306 -2.557 1.00 0.00 C ATOM 710 CG GLN A 45 -50.587 23.073 -3.644 1.00 0.00 C ATOM 711 CD GLN A 45 -49.123 22.631 -3.710 1.00 0.00 C ATOM 712 OE1 GLN A 45 -48.301 22.994 -2.884 1.00 0.00 O ATOM 713 NE2 GLN A 45 -48.844 21.831 -4.734 1.00 0.00 N ATOM 0 H GLN A 45 -53.432 24.081 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 45 -52.649 22.716 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -50.634 21.907 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -51.858 21.454 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -51.065 22.907 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -50.639 24.143 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -49.579 21.566 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -47.894 21.482 -4.865 1.00 0.00 H new ATOM 722 N MET A 46 -50.756 24.510 -0.595 1.00 0.00 N ATOM 723 CA MET A 46 -50.070 25.716 -0.164 1.00 0.00 C ATOM 724 C MET A 46 -49.591 26.534 -1.365 1.00 0.00 C ATOM 725 O MET A 46 -49.632 27.763 -1.339 1.00 0.00 O ATOM 726 CB MET A 46 -48.871 25.338 0.707 1.00 0.00 C ATOM 727 CG MET A 46 -47.971 24.328 -0.007 1.00 0.00 C ATOM 728 SD MET A 46 -46.473 25.127 -0.558 1.00 0.00 S ATOM 729 CE MET A 46 -45.372 24.674 0.772 1.00 0.00 C ATOM 0 H MET A 46 -50.429 23.652 -0.152 1.00 0.00 H new ATOM 0 HA MET A 46 -50.770 26.324 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 46 -48.298 26.232 0.951 1.00 0.00 H new ATOM 0 HB3 MET A 46 -49.220 24.917 1.650 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.728 23.506 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.498 23.898 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.384 25.095 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.760 25.062 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.299 23.588 0.830 1.00 0.00 H new ATOM 739 N LYS A 47 -49.149 25.818 -2.389 1.00 0.00 N ATOM 740 CA LYS A 47 -48.662 26.463 -3.596 1.00 0.00 C ATOM 741 C LYS A 47 -49.759 27.365 -4.165 1.00 0.00 C ATOM 742 O LYS A 47 -49.480 28.468 -4.634 1.00 0.00 O ATOM 743 CB LYS A 47 -48.149 25.419 -4.591 1.00 0.00 C ATOM 744 CG LYS A 47 -46.831 24.807 -4.111 1.00 0.00 C ATOM 745 CD LYS A 47 -46.532 23.501 -4.851 1.00 0.00 C ATOM 746 CE LYS A 47 -45.169 23.562 -5.542 1.00 0.00 C ATOM 747 NZ LYS A 47 -45.274 23.089 -6.940 1.00 0.00 N ATOM 0 H LYS A 47 -49.118 24.799 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.808 27.102 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.894 24.634 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.005 25.881 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.018 25.515 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.883 24.618 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.550 22.668 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -47.310 23.311 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.792 24.585 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.451 22.949 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.340 23.137 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -45.613 22.106 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.943 23.691 -7.461 1.00 0.00 H new ATOM 761 N ASP A 48 -50.984 26.864 -4.105 1.00 0.00 N ATOM 762 CA ASP A 48 -52.124 27.612 -4.607 1.00 0.00 C ATOM 763 C ASP A 48 -52.981 28.079 -3.430 1.00 0.00 C ATOM 764 O ASP A 48 -54.201 28.192 -3.551 1.00 0.00 O ATOM 765 CB ASP A 48 -52.998 26.741 -5.513 1.00 0.00 C ATOM 766 CG ASP A 48 -52.449 26.521 -6.924 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.217 26.671 -7.084 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.272 26.207 -7.810 1.00 0.00 O ATOM 0 H ASP A 48 -51.212 25.949 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.746 28.460 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.134 25.770 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.984 27.199 -5.590 1.00 0.00 H new ATOM 773 N CYS A 49 -52.311 28.339 -2.318 1.00 0.00 N ATOM 774 CA CYS A 49 -52.996 28.792 -1.119 1.00 0.00 C ATOM 775 C CYS A 49 -53.737 30.089 -1.450 1.00 0.00 C ATOM 776 O CYS A 49 -53.405 30.767 -2.421 1.00 0.00 O ATOM 777 CB CYS A 49 -52.029 28.970 0.053 1.00 0.00 C ATOM 778 SG CYS A 49 -52.954 28.994 1.632 1.00 0.00 S ATOM 0 H CYS A 49 -51.300 28.245 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.713 28.036 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.301 28.158 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -51.470 29.898 -0.064 1.00 0.00 H new ATOM 0 HG CYS A 49 -53.070 27.781 2.086 1.00 0.00 H new ATOM 783 N THR A 50 -54.728 30.393 -0.624 1.00 0.00 N ATOM 784 CA THR A 50 -55.519 31.597 -0.818 1.00 0.00 C ATOM 785 C THR A 50 -55.824 32.256 0.529 1.00 0.00 C ATOM 786 O THR A 50 -56.686 33.129 0.616 1.00 0.00 O ATOM 787 CB THR A 50 -56.774 31.217 -1.606 1.00 0.00 C ATOM 788 OG1 THR A 50 -57.506 32.435 -1.702 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.699 30.285 -0.821 1.00 0.00 C ATOM 0 H THR A 50 -55.001 29.827 0.180 1.00 0.00 H new ATOM 0 HA THR A 50 -54.970 32.343 -1.393 1.00 0.00 H new ATOM 0 HB THR A 50 -56.484 30.736 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A 50 -57.535 32.869 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.574 30.047 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 50 -57.166 29.366 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 50 -58.017 30.777 0.098 1.00 0.00 H new ATOM 797 N GLU A 51 -55.101 31.813 1.547 1.00 0.00 N ATOM 798 CA GLU A 51 -55.283 32.348 2.885 1.00 0.00 C ATOM 799 C GLU A 51 -55.523 33.858 2.824 1.00 0.00 C ATOM 800 O GLU A 51 -56.446 34.370 3.458 1.00 0.00 O ATOM 801 CB GLU A 51 -54.084 32.019 3.776 1.00 0.00 C ATOM 802 CG GLU A 51 -52.789 32.572 3.179 1.00 0.00 C ATOM 803 CD GLU A 51 -51.566 31.881 3.785 1.00 0.00 C ATOM 804 OE1 GLU A 51 -51.660 31.498 4.971 1.00 0.00 O ATOM 805 OE2 GLU A 51 -50.565 31.749 3.048 1.00 0.00 O ATOM 0 H GLU A 51 -54.387 31.088 1.472 1.00 0.00 H new ATOM 0 HA GLU A 51 -56.161 31.877 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -54.239 32.439 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -54.001 30.939 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.793 32.430 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -52.731 33.645 3.359 1.00 0.00 H new