USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 437 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.151 F(o=-0.99,f=-0.15) USER MOD Single : A 3 TYR OH : rot -19:sc= -5.74! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 89:sc= 0.996 USER MOD Single : A 13 THR OG1 : rot -12:sc= -4.33! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -5.54! C(o=-7.4!,f=-5.5!) USER MOD Single : A 22 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-5.9!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.409 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 33 TYR OH : rot 130:sc= -0.917! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -2.02! (180deg=-3.39!) USER MOD Single : A 40 TYR OH : rot -175:sc= -2.11! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.124 F(o=-1.3!,f=-0.12) USER MOD Single : A 48 SER OG : rot 57:sc= -0.0911 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.893 3.880 8.446 1.00 0.00 N ATOM 2 CA ASP A 1 -10.634 4.336 7.236 1.00 0.00 C ATOM 3 C ASP A 1 -11.309 3.137 6.570 1.00 0.00 C ATOM 4 O ASP A 1 -12.512 3.104 6.399 1.00 0.00 O ATOM 5 CB ASP A 1 -9.656 4.983 6.254 1.00 0.00 C ATOM 6 CG ASP A 1 -10.109 6.414 5.950 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.086 6.565 5.235 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.473 7.332 6.440 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.434 4.695 8.900 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.557 3.441 9.115 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.170 3.185 8.169 1.00 0.00 H new ATOM 0 HA ASP A 1 -11.392 5.064 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.651 4.990 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.610 4.401 5.333 1.00 0.00 H new ATOM 15 N ASN A 2 -10.545 2.149 6.189 1.00 0.00 N ATOM 16 CA ASN A 2 -11.143 0.952 5.533 1.00 0.00 C ATOM 17 C ASN A 2 -10.105 -0.169 5.486 1.00 0.00 C ATOM 18 O ASN A 2 -9.978 -0.850 4.494 1.00 0.00 O ATOM 19 CB ASN A 2 -11.565 1.309 4.086 1.00 0.00 C ATOM 20 CG ASN A 2 -10.460 2.156 3.433 1.00 0.00 C ATOM 21 OD1 ASN A 2 -9.236 1.685 3.320 1.00 0.00 O flip ATOM 22 ND2 ASN A 2 -10.711 3.269 3.016 1.00 0.00 N flip ATOM 0 H ASN A 2 -9.532 2.120 6.304 1.00 0.00 H new ATOM 0 HA ASN A 2 -12.016 0.628 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -11.733 0.400 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -12.506 1.860 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -11.656 3.643 3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.977 3.829 2.583 1.00 0.00 H new ATOM 29 N TYR A 3 -9.371 -0.379 6.550 1.00 0.00 N ATOM 30 CA TYR A 3 -8.351 -1.478 6.540 1.00 0.00 C ATOM 31 C TYR A 3 -9.069 -2.828 6.465 1.00 0.00 C ATOM 32 O TYR A 3 -8.454 -3.858 6.270 1.00 0.00 O ATOM 33 CB TYR A 3 -7.482 -1.426 7.803 1.00 0.00 C ATOM 34 CG TYR A 3 -6.194 -0.690 7.502 1.00 0.00 C ATOM 35 CD1 TYR A 3 -6.223 0.552 6.844 1.00 0.00 C ATOM 36 CD2 TYR A 3 -4.963 -1.246 7.886 1.00 0.00 C ATOM 37 CE1 TYR A 3 -5.034 1.226 6.571 1.00 0.00 C ATOM 38 CE2 TYR A 3 -3.774 -0.568 7.612 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.810 0.670 6.952 1.00 0.00 C ATOM 40 OH TYR A 3 -2.641 1.340 6.670 1.00 0.00 O ATOM 0 H TYR A 3 -9.431 0.155 7.417 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.704 -1.350 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.020 -0.924 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.263 -2.436 8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.168 0.984 6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.936 -2.199 8.394 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.059 2.179 6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.827 -0.996 7.908 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.804 1.998 5.962 1.00 0.00 H new ATOM 50 N ALA A 4 -10.368 -2.830 6.598 1.00 0.00 N ATOM 51 CA ALA A 4 -11.126 -4.109 6.514 1.00 0.00 C ATOM 52 C ALA A 4 -11.915 -4.130 5.201 1.00 0.00 C ATOM 53 O ALA A 4 -11.885 -5.093 4.461 1.00 0.00 O ATOM 54 CB ALA A 4 -12.094 -4.210 7.695 1.00 0.00 C ATOM 0 H ALA A 4 -10.937 -1.999 6.761 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.435 -4.952 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.648 -5.147 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.533 -4.182 8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.792 -3.373 7.666 1.00 0.00 H new ATOM 60 N ASP A 5 -12.620 -3.069 4.909 1.00 0.00 N ATOM 61 CA ASP A 5 -13.414 -3.016 3.646 1.00 0.00 C ATOM 62 C ASP A 5 -12.513 -2.593 2.480 1.00 0.00 C ATOM 63 O ASP A 5 -12.268 -1.423 2.261 1.00 0.00 O ATOM 64 CB ASP A 5 -14.551 -2.003 3.802 1.00 0.00 C ATOM 65 CG ASP A 5 -15.702 -2.380 2.867 1.00 0.00 C ATOM 66 OD1 ASP A 5 -15.426 -2.925 1.811 1.00 0.00 O ATOM 67 OD2 ASP A 5 -16.839 -2.118 3.224 1.00 0.00 O ATOM 0 H ASP A 5 -12.680 -2.234 5.492 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.827 -4.004 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.898 -1.986 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.193 -1.000 3.570 1.00 0.00 H new ATOM 72 N LEU A 6 -12.017 -3.543 1.735 1.00 0.00 N ATOM 73 CA LEU A 6 -11.129 -3.221 0.582 1.00 0.00 C ATOM 74 C LEU A 6 -10.794 -4.499 -0.179 1.00 0.00 C ATOM 75 O LEU A 6 -9.645 -4.814 -0.409 1.00 0.00 O ATOM 76 CB LEU A 6 -9.833 -2.610 1.117 1.00 0.00 C ATOM 77 CG LEU A 6 -9.298 -3.455 2.253 1.00 0.00 C ATOM 78 CD1 LEU A 6 -8.295 -4.497 1.758 1.00 0.00 C ATOM 79 CD2 LEU A 6 -8.587 -2.512 3.188 1.00 0.00 C ATOM 0 H LEU A 6 -12.191 -4.538 1.877 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.633 -2.521 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.093 -2.547 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.016 -1.593 1.463 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.119 -3.988 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.933 -5.084 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.781 -5.157 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.455 -3.994 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.180 -3.072 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.776 -2.015 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.290 -1.765 3.556 1.00 0.00 H new ATOM 91 N SER A 7 -11.797 -5.233 -0.552 1.00 0.00 N ATOM 92 CA SER A 7 -11.581 -6.511 -1.302 1.00 0.00 C ATOM 93 C SER A 7 -10.426 -6.356 -2.308 1.00 0.00 C ATOM 94 O SER A 7 -9.960 -5.266 -2.573 1.00 0.00 O ATOM 95 CB SER A 7 -12.861 -6.885 -2.060 1.00 0.00 C ATOM 96 OG SER A 7 -13.455 -8.019 -1.446 1.00 0.00 O ATOM 0 H SER A 7 -12.774 -5.005 -0.370 1.00 0.00 H new ATOM 0 HA SER A 7 -11.329 -7.295 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.558 -6.047 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.630 -7.101 -3.103 1.00 0.00 H new ATOM 0 HG SER A 7 -14.274 -8.260 -1.927 1.00 0.00 H new ATOM 102 N ASP A 8 -9.962 -7.454 -2.862 1.00 0.00 N ATOM 103 CA ASP A 8 -8.826 -7.419 -3.838 1.00 0.00 C ATOM 104 C ASP A 8 -8.772 -6.104 -4.613 1.00 0.00 C ATOM 105 O ASP A 8 -7.732 -5.504 -4.725 1.00 0.00 O ATOM 106 CB ASP A 8 -8.960 -8.578 -4.820 1.00 0.00 C ATOM 107 CG ASP A 8 -10.008 -8.246 -5.887 1.00 0.00 C ATOM 108 OD1 ASP A 8 -9.640 -7.654 -6.888 1.00 0.00 O ATOM 109 OD2 ASP A 8 -11.161 -8.589 -5.684 1.00 0.00 O ATOM 0 H ASP A 8 -10.330 -8.387 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.901 -7.508 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.998 -8.777 -5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.247 -9.485 -4.287 1.00 0.00 H new ATOM 114 N THR A 9 -9.859 -5.647 -5.168 1.00 0.00 N ATOM 115 CA THR A 9 -9.786 -4.374 -5.928 1.00 0.00 C ATOM 116 C THR A 9 -9.060 -3.339 -5.086 1.00 0.00 C ATOM 117 O THR A 9 -8.060 -2.819 -5.504 1.00 0.00 O ATOM 118 CB THR A 9 -11.182 -3.840 -6.278 1.00 0.00 C ATOM 119 OG1 THR A 9 -11.760 -4.664 -7.280 1.00 0.00 O ATOM 120 CG2 THR A 9 -11.063 -2.394 -6.806 1.00 0.00 C ATOM 0 H THR A 9 -10.777 -6.091 -5.129 1.00 0.00 H new ATOM 0 HA THR A 9 -9.252 -4.565 -6.859 1.00 0.00 H new ATOM 0 HB THR A 9 -11.811 -3.849 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.652 -4.328 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.054 -2.015 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.615 -1.762 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.436 -2.383 -7.698 1.00 0.00 H new ATOM 128 N GLU A 10 -9.567 -3.031 -3.913 1.00 0.00 N ATOM 129 CA GLU A 10 -8.910 -1.995 -3.056 1.00 0.00 C ATOM 130 C GLU A 10 -7.508 -2.396 -2.671 1.00 0.00 C ATOM 131 O GLU A 10 -6.603 -1.592 -2.711 1.00 0.00 O ATOM 132 CB GLU A 10 -9.680 -1.790 -1.768 1.00 0.00 C ATOM 133 CG GLU A 10 -11.125 -1.401 -2.035 1.00 0.00 C ATOM 134 CD GLU A 10 -11.316 -0.860 -3.460 1.00 0.00 C ATOM 135 OE1 GLU A 10 -10.799 0.209 -3.742 1.00 0.00 O ATOM 136 OE2 GLU A 10 -11.977 -1.525 -4.241 1.00 0.00 O ATOM 0 H GLU A 10 -10.406 -3.453 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.890 -1.080 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.652 -2.706 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.197 -1.013 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.768 -2.268 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.437 -0.645 -1.314 1.00 0.00 H new ATOM 143 N LEU A 11 -7.304 -3.614 -2.269 1.00 0.00 N ATOM 144 CA LEU A 11 -5.921 -3.989 -1.875 1.00 0.00 C ATOM 145 C LEU A 11 -5.001 -3.551 -2.988 1.00 0.00 C ATOM 146 O LEU A 11 -3.991 -2.935 -2.763 1.00 0.00 O ATOM 147 CB LEU A 11 -5.755 -5.484 -1.683 1.00 0.00 C ATOM 148 CG LEU A 11 -4.285 -5.726 -1.369 1.00 0.00 C ATOM 149 CD1 LEU A 11 -4.161 -6.706 -0.213 1.00 0.00 C ATOM 150 CD2 LEU A 11 -3.585 -6.290 -2.599 1.00 0.00 C ATOM 0 H LEU A 11 -8.009 -4.347 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.692 -3.508 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.388 -5.842 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.053 -6.025 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.817 -4.782 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.107 -6.876 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.655 -6.295 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.632 -7.651 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.533 -6.462 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.054 -7.232 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.667 -5.580 -3.422 1.00 0.00 H new ATOM 162 N THR A 12 -5.376 -3.855 -4.193 1.00 0.00 N ATOM 163 CA THR A 12 -4.570 -3.455 -5.360 1.00 0.00 C ATOM 164 C THR A 12 -4.743 -1.951 -5.560 1.00 0.00 C ATOM 165 O THR A 12 -3.859 -1.274 -6.031 1.00 0.00 O ATOM 166 CB THR A 12 -5.066 -4.232 -6.581 1.00 0.00 C ATOM 167 OG1 THR A 12 -5.724 -5.413 -6.141 1.00 0.00 O ATOM 168 CG2 THR A 12 -3.874 -4.613 -7.455 1.00 0.00 C ATOM 0 H THR A 12 -6.225 -4.374 -4.418 1.00 0.00 H new ATOM 0 HA THR A 12 -3.513 -3.676 -5.213 1.00 0.00 H new ATOM 0 HB THR A 12 -5.757 -3.616 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.674 -5.223 -5.995 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.224 -5.167 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.359 -3.710 -7.782 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.187 -5.235 -6.882 1.00 0.00 H new ATOM 176 N THR A 13 -5.858 -1.410 -5.151 1.00 0.00 N ATOM 177 CA THR A 13 -6.039 0.059 -5.267 1.00 0.00 C ATOM 178 C THR A 13 -5.284 0.695 -4.090 1.00 0.00 C ATOM 179 O THR A 13 -5.248 1.892 -3.937 1.00 0.00 O ATOM 180 CB THR A 13 -7.524 0.448 -5.184 1.00 0.00 C ATOM 181 OG1 THR A 13 -8.333 -0.654 -5.541 1.00 0.00 O ATOM 182 CG2 THR A 13 -7.816 1.598 -6.144 1.00 0.00 C ATOM 0 H THR A 13 -6.643 -1.919 -4.745 1.00 0.00 H new ATOM 0 HA THR A 13 -5.661 0.404 -6.229 1.00 0.00 H new ATOM 0 HB THR A 13 -7.745 0.753 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.775 -1.353 -5.943 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.870 1.867 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.204 2.459 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.583 1.289 -7.163 1.00 0.00 H new ATOM 190 N LEU A 14 -4.682 -0.124 -3.253 1.00 0.00 N ATOM 191 CA LEU A 14 -3.910 0.382 -2.085 1.00 0.00 C ATOM 192 C LEU A 14 -2.454 -0.115 -2.225 1.00 0.00 C ATOM 193 O LEU A 14 -1.548 0.367 -1.572 1.00 0.00 O ATOM 194 CB LEU A 14 -4.494 -0.199 -0.785 1.00 0.00 C ATOM 195 CG LEU A 14 -5.943 0.288 -0.559 1.00 0.00 C ATOM 196 CD1 LEU A 14 -6.541 -0.463 0.634 1.00 0.00 C ATOM 197 CD2 LEU A 14 -5.997 1.792 -0.253 1.00 0.00 C ATOM 0 H LEU A 14 -4.699 -1.140 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.957 1.471 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.476 -1.288 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.872 0.096 0.060 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.505 0.097 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.564 -0.125 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.541 -1.533 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.944 -0.266 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.033 2.095 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.421 2.001 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.575 2.349 -1.090 1.00 0.00 H new ATOM 209 N LEU A 15 -2.252 -1.091 -3.083 1.00 0.00 N ATOM 210 CA LEU A 15 -0.906 -1.694 -3.326 1.00 0.00 C ATOM 211 C LEU A 15 -0.491 -1.328 -4.755 1.00 0.00 C ATOM 212 O LEU A 15 0.600 -1.617 -5.207 1.00 0.00 O ATOM 213 CB LEU A 15 -1.071 -3.217 -3.113 1.00 0.00 C ATOM 214 CG LEU A 15 -0.597 -3.575 -1.724 1.00 0.00 C ATOM 215 CD1 LEU A 15 0.937 -3.524 -1.704 1.00 0.00 C ATOM 216 CD2 LEU A 15 -1.157 -2.598 -0.673 1.00 0.00 C ATOM 0 H LEU A 15 -2.996 -1.506 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.126 -1.331 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.115 -3.504 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.497 -3.766 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.953 -4.575 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.297 -3.780 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.334 -4.236 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.271 -2.519 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.798 -2.882 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.824 -1.586 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.246 -2.633 -0.687 1.00 0.00 H new ATOM 228 N ARG A 16 -1.381 -0.666 -5.450 1.00 0.00 N ATOM 229 CA ARG A 16 -1.118 -0.217 -6.850 1.00 0.00 C ATOM 230 C ARG A 16 -1.403 1.294 -6.978 1.00 0.00 C ATOM 231 O ARG A 16 -1.001 1.918 -7.940 1.00 0.00 O ATOM 232 CB ARG A 16 -2.076 -0.959 -7.783 1.00 0.00 C ATOM 233 CG ARG A 16 -1.497 -1.050 -9.198 1.00 0.00 C ATOM 234 CD ARG A 16 -2.401 -0.280 -10.167 1.00 0.00 C ATOM 235 NE ARG A 16 -3.604 -1.102 -10.482 1.00 0.00 N ATOM 236 CZ ARG A 16 -4.161 -1.018 -11.659 1.00 0.00 C ATOM 237 NH1 ARG A 16 -3.926 0.017 -12.420 1.00 0.00 N ATOM 238 NH2 ARG A 16 -4.953 -1.967 -12.075 1.00 0.00 N ATOM 0 H ARG A 16 -2.303 -0.412 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.079 -0.421 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.263 -1.961 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.036 -0.443 -7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.488 -0.637 -9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.420 -2.093 -9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.702 0.670 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.857 -0.047 -11.082 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.992 -1.730 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.307 0.759 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.361 0.083 -13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.137 -2.775 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.388 -1.901 -12.995 1.00 0.00 H new ATOM 252 N ARG A 17 -2.105 1.896 -6.036 1.00 0.00 N ATOM 253 CA ARG A 17 -2.403 3.348 -6.155 1.00 0.00 C ATOM 254 C ARG A 17 -1.216 4.137 -5.607 1.00 0.00 C ATOM 255 O ARG A 17 -0.964 5.259 -6.000 1.00 0.00 O ATOM 256 CB ARG A 17 -3.699 3.678 -5.389 1.00 0.00 C ATOM 257 CG ARG A 17 -3.405 3.950 -3.909 1.00 0.00 C ATOM 258 CD ARG A 17 -3.490 5.459 -3.628 1.00 0.00 C ATOM 259 NE ARG A 17 -4.810 6.007 -4.086 1.00 0.00 N ATOM 260 CZ ARG A 17 -4.888 6.655 -5.216 1.00 0.00 C ATOM 261 NH1 ARG A 17 -4.158 7.720 -5.410 1.00 0.00 N ATOM 262 NH2 ARG A 17 -5.697 6.240 -6.153 1.00 0.00 N ATOM 0 H ARG A 17 -2.476 1.441 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.556 3.622 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.178 4.550 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.400 2.848 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.118 3.414 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.413 3.579 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.364 5.644 -2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.678 5.976 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.645 5.873 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.527 8.046 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.219 8.226 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.269 5.409 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.757 6.747 -7.036 1.00 0.00 H new ATOM 276 N TYR A 18 -0.461 3.539 -4.727 1.00 0.00 N ATOM 277 CA TYR A 18 0.735 4.233 -4.186 1.00 0.00 C ATOM 278 C TYR A 18 1.968 3.674 -4.899 1.00 0.00 C ATOM 279 O TYR A 18 2.939 4.373 -5.093 1.00 0.00 O ATOM 280 CB TYR A 18 0.868 3.988 -2.675 1.00 0.00 C ATOM 281 CG TYR A 18 -0.121 4.835 -1.912 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.074 6.233 -1.980 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.083 4.206 -1.123 1.00 0.00 C ATOM 284 CE1 TYR A 18 -0.996 6.998 -1.254 1.00 0.00 C ATOM 285 CE2 TYR A 18 -2.004 4.967 -0.396 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.961 6.365 -0.461 1.00 0.00 C ATOM 287 OH TYR A 18 -2.870 7.117 0.255 1.00 0.00 O ATOM 0 H TYR A 18 -0.623 2.601 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 18 0.641 5.306 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.698 2.934 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.882 4.222 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.671 6.720 -2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.117 3.128 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.963 8.076 -1.306 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.748 4.477 0.215 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.469 6.521 0.751 1.00 0.00 H new ATOM 297 N ASN A 19 1.906 2.417 -5.300 1.00 0.00 N ATOM 298 CA ASN A 19 3.038 1.749 -6.017 1.00 0.00 C ATOM 299 C ASN A 19 3.902 0.976 -5.012 1.00 0.00 C ATOM 300 O ASN A 19 5.104 0.875 -5.158 1.00 0.00 O ATOM 301 CB ASN A 19 3.881 2.793 -6.797 1.00 0.00 C ATOM 302 CG ASN A 19 5.089 3.292 -5.970 1.00 0.00 C ATOM 303 OD1 ASN A 19 5.038 3.341 -4.660 1.00 0.00 O flip ATOM 304 ND2 ASN A 19 6.103 3.646 -6.537 1.00 0.00 N flip ATOM 0 H ASN A 19 1.094 1.817 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 19 2.636 1.042 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.236 2.351 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.251 3.640 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.156 3.613 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.902 3.976 -5.995 1.00 0.00 H new ATOM 311 N ILE A 20 3.295 0.405 -4.006 1.00 0.00 N ATOM 312 CA ILE A 20 4.082 -0.380 -3.016 1.00 0.00 C ATOM 313 C ILE A 20 4.637 -1.591 -3.760 1.00 0.00 C ATOM 314 O ILE A 20 3.957 -2.149 -4.592 1.00 0.00 O ATOM 315 CB ILE A 20 3.118 -0.846 -1.883 1.00 0.00 C ATOM 316 CG1 ILE A 20 2.693 0.332 -0.977 1.00 0.00 C ATOM 317 CG2 ILE A 20 3.785 -1.919 -1.019 1.00 0.00 C ATOM 318 CD1 ILE A 20 1.282 0.073 -0.446 1.00 0.00 C ATOM 0 H ILE A 20 2.291 0.449 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 20 4.891 0.204 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 20 2.231 -1.256 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.393 0.440 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.718 1.266 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.098 -2.233 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.043 -2.777 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.690 -1.512 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.976 0.901 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.589 -0.014 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.274 -0.853 0.130 1.00 0.00 H new ATOM 330 N PRO A 21 5.847 -1.983 -3.452 1.00 0.00 N ATOM 331 CA PRO A 21 6.452 -3.143 -4.115 1.00 0.00 C ATOM 332 C PRO A 21 5.624 -4.381 -3.790 1.00 0.00 C ATOM 333 O PRO A 21 5.863 -5.083 -2.828 1.00 0.00 O ATOM 334 CB PRO A 21 7.883 -3.190 -3.555 1.00 0.00 C ATOM 335 CG PRO A 21 7.853 -2.375 -2.245 1.00 0.00 C ATOM 336 CD PRO A 21 6.703 -1.349 -2.423 1.00 0.00 C ATOM 0 HA PRO A 21 6.478 -3.088 -5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.196 -4.217 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.594 -2.764 -4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.674 -3.020 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.805 -1.872 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.161 -1.185 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.075 -0.378 -2.750 1.00 0.00 H new ATOM 344 N HIS A 22 4.626 -4.624 -4.596 1.00 0.00 N ATOM 345 CA HIS A 22 3.729 -5.790 -4.369 1.00 0.00 C ATOM 346 C HIS A 22 3.768 -6.702 -5.593 1.00 0.00 C ATOM 347 O HIS A 22 3.826 -6.243 -6.717 1.00 0.00 O ATOM 348 CB HIS A 22 2.285 -5.299 -4.158 1.00 0.00 C ATOM 349 CG HIS A 22 1.700 -4.879 -5.483 1.00 0.00 C ATOM 350 ND1 HIS A 22 1.849 -3.598 -5.993 1.00 0.00 N ATOM 351 CD2 HIS A 22 0.993 -5.576 -6.433 1.00 0.00 C ATOM 352 CE1 HIS A 22 1.253 -3.569 -7.199 1.00 0.00 C ATOM 353 NE2 HIS A 22 0.713 -4.747 -7.513 1.00 0.00 N ATOM 0 H HIS A 22 4.393 -4.057 -5.411 1.00 0.00 H new ATOM 0 HA HIS A 22 4.063 -6.335 -3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.681 -6.091 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.272 -4.461 -3.460 1.00 0.00 H new ATOM 0 HD1 HIS A 22 2.324 -2.819 -5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.699 -6.612 -6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.216 -2.697 -7.835 1.00 0.00 H new ATOM 361 N GLY A 23 3.710 -7.984 -5.394 1.00 0.00 N ATOM 362 CA GLY A 23 3.712 -8.910 -6.552 1.00 0.00 C ATOM 363 C GLY A 23 2.315 -9.532 -6.655 1.00 0.00 C ATOM 364 O GLY A 23 1.373 -8.846 -6.997 1.00 0.00 O ATOM 0 H GLY A 23 3.661 -8.431 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.961 -8.375 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.467 -9.685 -6.420 1.00 0.00 H new ATOM 368 N PRO A 24 2.201 -10.795 -6.337 1.00 0.00 N ATOM 369 CA PRO A 24 0.906 -11.489 -6.368 1.00 0.00 C ATOM 370 C PRO A 24 0.103 -11.172 -5.105 1.00 0.00 C ATOM 371 O PRO A 24 0.576 -11.351 -4.001 1.00 0.00 O ATOM 372 CB PRO A 24 1.285 -12.964 -6.380 1.00 0.00 C ATOM 373 CG PRO A 24 2.709 -13.050 -5.780 1.00 0.00 C ATOM 374 CD PRO A 24 3.334 -11.650 -5.931 1.00 0.00 C ATOM 0 HA PRO A 24 0.292 -11.196 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.579 -13.552 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.265 -13.362 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.671 -13.347 -4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.305 -13.799 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.777 -11.308 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.126 -11.645 -6.680 1.00 0.00 H new ATOM 382 N VAL A 25 -1.112 -10.732 -5.254 1.00 0.00 N ATOM 383 CA VAL A 25 -1.939 -10.442 -4.048 1.00 0.00 C ATOM 384 C VAL A 25 -2.566 -11.762 -3.578 1.00 0.00 C ATOM 385 O VAL A 25 -3.737 -12.014 -3.782 1.00 0.00 O ATOM 386 CB VAL A 25 -3.035 -9.428 -4.388 1.00 0.00 C ATOM 387 CG1 VAL A 25 -3.875 -9.183 -3.139 1.00 0.00 C ATOM 388 CG2 VAL A 25 -2.399 -8.102 -4.847 1.00 0.00 C ATOM 0 H VAL A 25 -1.568 -10.561 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.319 -10.015 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.660 -9.817 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.661 -8.462 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.325 -10.121 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.240 -8.791 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.185 -7.386 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.775 -7.702 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.787 -8.279 -5.731 1.00 0.00 H new ATOM 398 N VAL A 26 -1.777 -12.618 -2.979 1.00 0.00 N ATOM 399 CA VAL A 26 -2.297 -13.943 -2.523 1.00 0.00 C ATOM 400 C VAL A 26 -2.825 -13.858 -1.086 1.00 0.00 C ATOM 401 O VAL A 26 -2.701 -12.847 -0.425 1.00 0.00 O ATOM 402 CB VAL A 26 -1.162 -14.969 -2.586 1.00 0.00 C ATOM 403 CG1 VAL A 26 -0.755 -15.190 -4.044 1.00 0.00 C ATOM 404 CG2 VAL A 26 0.043 -14.448 -1.794 1.00 0.00 C ATOM 0 H VAL A 26 -0.789 -12.455 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.118 -14.243 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.500 -15.911 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.053 -15.920 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.611 -15.560 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.417 -14.247 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.851 -15.178 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.381 -13.506 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.246 -14.289 -0.755 1.00 0.00 H new ATOM 414 N GLY A 27 -3.414 -14.925 -0.603 1.00 0.00 N ATOM 415 CA GLY A 27 -3.955 -14.927 0.788 1.00 0.00 C ATOM 416 C GLY A 27 -2.844 -15.300 1.772 1.00 0.00 C ATOM 417 O GLY A 27 -3.023 -16.112 2.658 1.00 0.00 O ATOM 0 H GLY A 27 -3.543 -15.797 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.357 -13.944 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.778 -15.637 0.868 1.00 0.00 H new ATOM 421 N SER A 28 -1.700 -14.699 1.622 1.00 0.00 N ATOM 422 CA SER A 28 -0.558 -14.989 2.540 1.00 0.00 C ATOM 423 C SER A 28 0.173 -13.678 2.827 1.00 0.00 C ATOM 424 O SER A 28 0.248 -13.228 3.953 1.00 0.00 O ATOM 425 CB SER A 28 0.400 -15.983 1.878 1.00 0.00 C ATOM 426 OG SER A 28 -0.049 -16.270 0.562 1.00 0.00 O ATOM 0 H SER A 28 -1.501 -14.011 0.896 1.00 0.00 H new ATOM 0 HA SER A 28 -0.925 -15.425 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.407 -15.568 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.451 -16.900 2.464 1.00 0.00 H new ATOM 0 HG SER A 28 0.565 -16.905 0.138 1.00 0.00 H new ATOM 432 N THR A 29 0.687 -13.044 1.805 1.00 0.00 N ATOM 433 CA THR A 29 1.385 -11.744 1.994 1.00 0.00 C ATOM 434 C THR A 29 0.333 -10.626 1.956 1.00 0.00 C ATOM 435 O THR A 29 0.641 -9.470 1.747 1.00 0.00 O ATOM 436 CB THR A 29 2.386 -11.549 0.834 1.00 0.00 C ATOM 437 OG1 THR A 29 1.854 -12.158 -0.335 1.00 0.00 O ATOM 438 CG2 THR A 29 3.729 -12.207 1.167 1.00 0.00 C ATOM 0 H THR A 29 0.651 -13.376 0.841 1.00 0.00 H new ATOM 0 HA THR A 29 1.918 -11.723 2.945 1.00 0.00 H new ATOM 0 HB THR A 29 2.544 -10.482 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.480 -12.039 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.422 -12.060 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.141 -11.756 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.581 -13.274 1.330 1.00 0.00 H new ATOM 446 N ARG A 30 -0.912 -10.981 2.141 1.00 0.00 N ATOM 447 CA ARG A 30 -2.011 -9.994 2.105 1.00 0.00 C ATOM 448 C ARG A 30 -1.815 -8.909 3.172 1.00 0.00 C ATOM 449 O ARG A 30 -1.808 -7.732 2.873 1.00 0.00 O ATOM 450 CB ARG A 30 -3.308 -10.751 2.371 1.00 0.00 C ATOM 451 CG ARG A 30 -4.008 -11.062 1.048 1.00 0.00 C ATOM 452 CD ARG A 30 -5.172 -10.084 0.852 1.00 0.00 C ATOM 453 NE ARG A 30 -5.619 -10.124 -0.570 1.00 0.00 N ATOM 454 CZ ARG A 30 -6.682 -9.462 -0.938 1.00 0.00 C ATOM 455 NH1 ARG A 30 -7.148 -8.504 -0.184 1.00 0.00 N ATOM 456 NH2 ARG A 30 -7.280 -9.758 -2.060 1.00 0.00 N ATOM 0 H ARG A 30 -1.211 -11.940 2.319 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.034 -9.498 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.096 -11.676 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.963 -10.156 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.303 -10.977 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.376 -12.088 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.998 -10.348 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.861 -9.074 1.119 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.094 -10.668 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.681 -8.273 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.979 -7.987 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.917 -10.507 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.111 -9.240 -2.347 1.00 0.00 H new ATOM 470 N ARG A 31 -1.672 -9.290 4.413 1.00 0.00 N ATOM 471 CA ARG A 31 -1.496 -8.267 5.489 1.00 0.00 C ATOM 472 C ARG A 31 -0.280 -7.388 5.173 1.00 0.00 C ATOM 473 O ARG A 31 -0.363 -6.181 5.187 1.00 0.00 O ATOM 474 CB ARG A 31 -1.298 -8.972 6.837 1.00 0.00 C ATOM 475 CG ARG A 31 -0.780 -7.970 7.876 1.00 0.00 C ATOM 476 CD ARG A 31 -0.286 -8.719 9.117 1.00 0.00 C ATOM 477 NE ARG A 31 -0.337 -7.800 10.305 1.00 0.00 N ATOM 478 CZ ARG A 31 0.026 -8.241 11.479 1.00 0.00 C ATOM 479 NH1 ARG A 31 -0.582 -9.267 12.007 1.00 0.00 N ATOM 480 NH2 ARG A 31 0.999 -7.655 12.123 1.00 0.00 N ATOM 0 H ARG A 31 -1.669 -10.260 4.729 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.384 -7.637 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.240 -9.404 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.591 -9.794 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.030 -7.377 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.573 -7.275 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.905 -9.598 9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.733 -9.073 8.960 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.654 -6.837 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.341 -9.725 11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.298 -9.611 12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.475 -6.853 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.283 -7.999 13.040 1.00 0.00 H new ATOM 494 N LEU A 32 0.842 -7.986 4.894 1.00 0.00 N ATOM 495 CA LEU A 32 2.072 -7.202 4.576 1.00 0.00 C ATOM 496 C LEU A 32 1.702 -6.009 3.681 1.00 0.00 C ATOM 497 O LEU A 32 2.353 -4.984 3.697 1.00 0.00 O ATOM 498 CB LEU A 32 3.060 -8.136 3.844 1.00 0.00 C ATOM 499 CG LEU A 32 4.527 -7.655 3.924 1.00 0.00 C ATOM 500 CD1 LEU A 32 4.741 -6.436 3.021 1.00 0.00 C ATOM 501 CD2 LEU A 32 4.917 -7.308 5.369 1.00 0.00 C ATOM 0 H LEU A 32 0.964 -8.998 4.872 1.00 0.00 H new ATOM 0 HA LEU A 32 2.531 -6.820 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.989 -9.136 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.767 -8.215 2.797 1.00 0.00 H new ATOM 0 HG LEU A 32 5.164 -8.470 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.779 -6.110 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.511 -6.703 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.085 -5.626 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.954 -6.973 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.269 -6.514 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.805 -8.191 5.998 1.00 0.00 H new ATOM 513 N TYR A 33 0.648 -6.128 2.912 1.00 0.00 N ATOM 514 CA TYR A 33 0.228 -4.994 2.030 1.00 0.00 C ATOM 515 C TYR A 33 -0.797 -4.147 2.779 1.00 0.00 C ATOM 516 O TYR A 33 -0.774 -2.934 2.710 1.00 0.00 O ATOM 517 CB TYR A 33 -0.356 -5.553 0.723 1.00 0.00 C ATOM 518 CG TYR A 33 0.732 -6.225 -0.105 1.00 0.00 C ATOM 519 CD1 TYR A 33 2.098 -5.999 0.154 1.00 0.00 C ATOM 520 CD2 TYR A 33 0.363 -7.094 -1.134 1.00 0.00 C ATOM 521 CE1 TYR A 33 3.073 -6.645 -0.616 1.00 0.00 C ATOM 522 CE2 TYR A 33 1.340 -7.738 -1.904 1.00 0.00 C ATOM 523 CZ TYR A 33 2.695 -7.514 -1.644 1.00 0.00 C ATOM 524 OH TYR A 33 3.658 -8.149 -2.400 1.00 0.00 O ATOM 0 H TYR A 33 0.061 -6.960 2.856 1.00 0.00 H new ATOM 0 HA TYR A 33 1.082 -4.367 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.145 -6.271 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.813 -4.747 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.393 -5.327 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.683 -7.271 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.120 -6.471 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.046 -8.408 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 33 3.464 -9.109 -2.438 1.00 0.00 H new ATOM 534 N GLU A 34 -1.652 -4.759 3.552 1.00 0.00 N ATOM 535 CA GLU A 34 -2.610 -3.952 4.357 1.00 0.00 C ATOM 536 C GLU A 34 -1.834 -3.352 5.540 1.00 0.00 C ATOM 537 O GLU A 34 -2.387 -2.697 6.400 1.00 0.00 O ATOM 538 CB GLU A 34 -3.737 -4.845 4.886 1.00 0.00 C ATOM 539 CG GLU A 34 -4.627 -5.300 3.728 1.00 0.00 C ATOM 540 CD GLU A 34 -4.953 -4.104 2.829 1.00 0.00 C ATOM 541 OE1 GLU A 34 -5.167 -3.028 3.361 1.00 0.00 O ATOM 542 OE2 GLU A 34 -4.983 -4.287 1.623 1.00 0.00 O ATOM 0 H GLU A 34 -1.728 -5.770 3.660 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.051 -3.167 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.317 -5.712 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.331 -4.300 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.122 -6.075 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.547 -5.739 4.114 1.00 0.00 H new ATOM 549 N LYS A 35 -0.549 -3.609 5.587 1.00 0.00 N ATOM 550 CA LYS A 35 0.308 -3.119 6.686 1.00 0.00 C ATOM 551 C LYS A 35 1.362 -2.176 6.107 1.00 0.00 C ATOM 552 O LYS A 35 1.750 -1.198 6.715 1.00 0.00 O ATOM 553 CB LYS A 35 0.919 -4.383 7.314 1.00 0.00 C ATOM 554 CG LYS A 35 2.457 -4.468 7.221 1.00 0.00 C ATOM 555 CD LYS A 35 3.142 -3.259 7.858 1.00 0.00 C ATOM 556 CE LYS A 35 2.270 -2.643 8.963 1.00 0.00 C ATOM 557 NZ LYS A 35 3.055 -1.607 9.692 1.00 0.00 N ATOM 0 H LYS A 35 -0.054 -4.156 4.882 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.230 -2.550 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.629 -4.428 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.490 -5.259 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.799 -5.378 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.752 -4.541 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.103 -3.560 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.347 -2.510 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.374 -2.198 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.939 -3.418 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.467 -1.189 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.897 -2.045 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.350 -0.863 9.027 1.00 0.00 H new ATOM 571 N LYS A 36 1.784 -2.446 4.914 1.00 0.00 N ATOM 572 CA LYS A 36 2.778 -1.567 4.216 1.00 0.00 C ATOM 573 C LYS A 36 1.988 -0.495 3.522 1.00 0.00 C ATOM 574 O LYS A 36 2.252 -0.120 2.397 1.00 0.00 O ATOM 575 CB LYS A 36 3.495 -2.349 3.133 1.00 0.00 C ATOM 576 CG LYS A 36 4.634 -3.165 3.745 1.00 0.00 C ATOM 577 CD LYS A 36 5.827 -2.250 4.034 1.00 0.00 C ATOM 578 CE LYS A 36 7.112 -3.080 4.046 1.00 0.00 C ATOM 579 NZ LYS A 36 7.200 -3.882 2.792 1.00 0.00 N ATOM 0 H LYS A 36 1.481 -3.255 4.371 1.00 0.00 H new ATOM 0 HA LYS A 36 3.500 -1.176 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.793 -3.012 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.889 -1.666 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.298 -3.643 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.931 -3.961 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.892 -1.469 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.693 -1.752 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.979 -2.425 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.123 -3.740 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.198 -4.895 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.384 -3.666 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.079 -3.645 2.289 1.00 0.00 H new ATOM 593 N ILE A 37 0.967 -0.072 4.156 1.00 0.00 N ATOM 594 CA ILE A 37 0.072 0.896 3.539 1.00 0.00 C ATOM 595 C ILE A 37 -0.439 1.877 4.612 1.00 0.00 C ATOM 596 O ILE A 37 -1.247 2.743 4.341 1.00 0.00 O ATOM 597 CB ILE A 37 -1.025 0.041 2.877 1.00 0.00 C ATOM 598 CG1 ILE A 37 -1.741 0.840 1.773 1.00 0.00 C ATOM 599 CG2 ILE A 37 -2.057 -0.445 3.899 1.00 0.00 C ATOM 600 CD1 ILE A 37 -2.879 1.681 2.382 1.00 0.00 C ATOM 0 H ILE A 37 0.707 -0.362 5.099 1.00 0.00 H new ATOM 0 HA ILE A 37 0.539 1.532 2.787 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.534 -0.829 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.030 1.491 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.143 0.159 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.814 -1.045 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.561 -1.051 4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.531 0.414 4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.379 2.242 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.597 1.022 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.467 2.374 3.115 1.00 0.00 H new ATOM 612 N PHE A 38 0.075 1.779 5.824 1.00 0.00 N ATOM 613 CA PHE A 38 -0.333 2.738 6.898 1.00 0.00 C ATOM 614 C PHE A 38 0.805 3.744 7.108 1.00 0.00 C ATOM 615 O PHE A 38 0.617 4.938 6.979 1.00 0.00 O ATOM 616 CB PHE A 38 -0.599 1.991 8.218 1.00 0.00 C ATOM 617 CG PHE A 38 -1.373 2.878 9.177 1.00 0.00 C ATOM 618 CD1 PHE A 38 -2.772 2.973 9.093 1.00 0.00 C ATOM 619 CD2 PHE A 38 -0.689 3.607 10.158 1.00 0.00 C ATOM 620 CE1 PHE A 38 -3.475 3.791 9.984 1.00 0.00 C ATOM 621 CE2 PHE A 38 -1.394 4.424 11.048 1.00 0.00 C ATOM 622 CZ PHE A 38 -2.787 4.518 10.962 1.00 0.00 C ATOM 0 H PHE A 38 0.757 1.076 6.109 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.248 3.249 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.162 1.079 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.346 1.691 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.306 2.413 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.387 3.538 10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.551 3.862 9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.862 4.983 11.803 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.330 5.150 11.649 1.00 0.00 H new ATOM 632 N GLU A 39 1.990 3.278 7.425 1.00 0.00 N ATOM 633 CA GLU A 39 3.124 4.226 7.630 1.00 0.00 C ATOM 634 C GLU A 39 3.416 4.940 6.320 1.00 0.00 C ATOM 635 O GLU A 39 3.879 6.063 6.290 1.00 0.00 O ATOM 636 CB GLU A 39 4.387 3.474 8.063 1.00 0.00 C ATOM 637 CG GLU A 39 4.126 2.650 9.322 1.00 0.00 C ATOM 638 CD GLU A 39 3.051 3.304 10.202 1.00 0.00 C ATOM 639 OE1 GLU A 39 3.124 4.504 10.402 1.00 0.00 O ATOM 640 OE2 GLU A 39 2.182 2.586 10.667 1.00 0.00 O ATOM 0 H GLU A 39 2.217 2.291 7.549 1.00 0.00 H new ATOM 0 HA GLU A 39 2.846 4.938 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.719 2.819 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.192 4.185 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.809 1.645 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.051 2.546 9.890 1.00 0.00 H new ATOM 647 N TYR A 40 3.152 4.280 5.240 1.00 0.00 N ATOM 648 CA TYR A 40 3.411 4.884 3.902 1.00 0.00 C ATOM 649 C TYR A 40 2.843 6.308 3.838 1.00 0.00 C ATOM 650 O TYR A 40 3.227 7.092 2.997 1.00 0.00 O ATOM 651 CB TYR A 40 2.753 4.021 2.821 1.00 0.00 C ATOM 652 CG TYR A 40 3.126 4.555 1.460 1.00 0.00 C ATOM 653 CD1 TYR A 40 4.322 4.153 0.853 1.00 0.00 C ATOM 654 CD2 TYR A 40 2.278 5.454 0.805 1.00 0.00 C ATOM 655 CE1 TYR A 40 4.668 4.650 -0.410 1.00 0.00 C ATOM 656 CE2 TYR A 40 2.623 5.952 -0.456 1.00 0.00 C ATOM 657 CZ TYR A 40 3.818 5.550 -1.065 1.00 0.00 C ATOM 658 OH TYR A 40 4.158 6.040 -2.308 1.00 0.00 O ATOM 0 H TYR A 40 2.763 3.337 5.219 1.00 0.00 H new ATOM 0 HA TYR A 40 4.487 4.929 3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.078 2.985 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.670 4.029 2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.978 3.460 1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.356 5.764 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.590 4.339 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.967 6.647 -0.960 1.00 0.00 H new ATOM 0 HH TYR A 40 3.500 6.711 -2.586 1.00 0.00 H new ATOM 668 N GLU A 41 1.925 6.649 4.704 1.00 0.00 N ATOM 669 CA GLU A 41 1.338 8.023 4.661 1.00 0.00 C ATOM 670 C GLU A 41 1.540 8.740 6.009 1.00 0.00 C ATOM 671 O GLU A 41 2.060 9.838 6.059 1.00 0.00 O ATOM 672 CB GLU A 41 -0.158 7.914 4.361 1.00 0.00 C ATOM 673 CG GLU A 41 -0.411 7.944 2.844 1.00 0.00 C ATOM 674 CD GLU A 41 -1.085 9.264 2.465 1.00 0.00 C ATOM 675 OE1 GLU A 41 -1.890 9.740 3.248 1.00 0.00 O ATOM 676 OE2 GLU A 41 -0.786 9.774 1.399 1.00 0.00 O ATOM 0 H GLU A 41 1.557 6.040 5.435 1.00 0.00 H new ATOM 0 HA GLU A 41 1.837 8.600 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.552 6.989 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.691 8.735 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.531 7.836 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.042 7.104 2.553 1.00 0.00 H new ATOM 683 N THR A 42 1.124 8.144 7.101 1.00 0.00 N ATOM 684 CA THR A 42 1.286 8.812 8.432 1.00 0.00 C ATOM 685 C THR A 42 2.774 8.963 8.771 1.00 0.00 C ATOM 686 O THR A 42 3.142 9.624 9.722 1.00 0.00 O ATOM 687 CB THR A 42 0.606 7.969 9.512 1.00 0.00 C ATOM 688 OG1 THR A 42 -0.794 7.930 9.269 1.00 0.00 O ATOM 689 CG2 THR A 42 0.871 8.587 10.885 1.00 0.00 C ATOM 0 H THR A 42 0.680 7.226 7.129 1.00 0.00 H new ATOM 0 HA THR A 42 0.827 9.800 8.390 1.00 0.00 H new ATOM 0 HB THR A 42 1.007 6.956 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.231 7.389 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.386 7.986 11.654 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.945 8.616 11.070 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.471 9.601 10.911 1.00 0.00 H new ATOM 697 N GLN A 43 3.625 8.367 7.991 1.00 0.00 N ATOM 698 CA GLN A 43 5.090 8.470 8.238 1.00 0.00 C ATOM 699 C GLN A 43 5.729 9.006 6.964 1.00 0.00 C ATOM 700 O GLN A 43 6.571 8.370 6.365 1.00 0.00 O ATOM 701 CB GLN A 43 5.656 7.080 8.551 1.00 0.00 C ATOM 702 CG GLN A 43 4.902 6.426 9.728 1.00 0.00 C ATOM 703 CD GLN A 43 5.632 6.728 11.066 1.00 0.00 C ATOM 704 OE1 GLN A 43 6.691 7.542 11.142 1.00 0.00 O flip ATOM 705 NE2 GLN A 43 5.230 6.207 12.088 1.00 0.00 N flip ATOM 0 H GLN A 43 3.367 7.804 7.181 1.00 0.00 H new ATOM 0 HA GLN A 43 5.296 9.129 9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.579 6.445 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.715 7.161 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.880 6.803 9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.838 5.349 9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.424 5.582 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.698 6.395 12.975 1.00 0.00 H new ATOM 714 N ARG A 44 5.283 10.162 6.548 1.00 0.00 N ATOM 715 CA ARG A 44 5.785 10.809 5.287 1.00 0.00 C ATOM 716 C ARG A 44 4.797 10.473 4.161 1.00 0.00 C ATOM 717 O ARG A 44 3.631 10.802 4.244 1.00 0.00 O ATOM 718 CB ARG A 44 7.195 10.315 4.931 1.00 0.00 C ATOM 719 CG ARG A 44 8.111 10.454 6.149 1.00 0.00 C ATOM 720 CD ARG A 44 8.952 11.724 6.012 1.00 0.00 C ATOM 721 NE ARG A 44 8.084 12.929 6.267 1.00 0.00 N ATOM 722 CZ ARG A 44 8.602 14.124 6.200 1.00 0.00 C ATOM 723 NH1 ARG A 44 9.546 14.379 5.338 1.00 0.00 N ATOM 724 NH2 ARG A 44 8.175 15.066 6.998 1.00 0.00 N ATOM 0 H ARG A 44 4.572 10.703 7.040 1.00 0.00 H new ATOM 0 HA ARG A 44 5.851 11.888 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.156 9.274 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.593 10.892 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.517 10.495 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.760 9.582 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.781 11.703 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.387 11.780 5.014 1.00 0.00 H new ATOM 0 HE ARG A 44 7.096 12.811 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.880 13.644 4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.950 15.314 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.437 14.867 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.580 16.001 6.946 1.00 0.00 H new ATOM 738 N ARG A 45 5.232 9.823 3.115 1.00 0.00 N ATOM 739 CA ARG A 45 4.297 9.483 2.018 1.00 0.00 C ATOM 740 C ARG A 45 4.965 8.446 1.112 1.00 0.00 C ATOM 741 O ARG A 45 4.716 7.262 1.214 1.00 0.00 O ATOM 742 CB ARG A 45 4.016 10.736 1.204 1.00 0.00 C ATOM 743 CG ARG A 45 3.278 10.346 -0.072 1.00 0.00 C ATOM 744 CD ARG A 45 3.160 11.553 -1.007 1.00 0.00 C ATOM 745 NE ARG A 45 2.796 12.771 -0.213 1.00 0.00 N ATOM 746 CZ ARG A 45 2.790 13.941 -0.788 1.00 0.00 C ATOM 747 NH1 ARG A 45 3.918 14.548 -1.044 1.00 0.00 N ATOM 748 NH2 ARG A 45 1.659 14.506 -1.107 1.00 0.00 N ATOM 0 H ARG A 45 6.195 9.515 2.978 1.00 0.00 H new ATOM 0 HA ARG A 45 3.367 9.087 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.417 11.436 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.950 11.243 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.809 9.538 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.285 9.970 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.103 11.715 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.403 11.363 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 45 2.554 12.685 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.803 14.107 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.914 15.463 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.778 14.033 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.655 15.421 -1.557 1.00 0.00 H new ATOM 762 N ARG A 46 5.827 8.887 0.223 1.00 0.00 N ATOM 763 CA ARG A 46 6.516 7.922 -0.678 1.00 0.00 C ATOM 764 C ARG A 46 8.028 8.113 -0.552 1.00 0.00 C ATOM 765 O ARG A 46 8.769 7.171 -0.354 1.00 0.00 O ATOM 766 CB ARG A 46 6.078 8.157 -2.129 1.00 0.00 C ATOM 767 CG ARG A 46 6.355 9.607 -2.531 1.00 0.00 C ATOM 768 CD ARG A 46 5.711 9.891 -3.889 1.00 0.00 C ATOM 769 NE ARG A 46 6.275 8.941 -4.916 1.00 0.00 N ATOM 770 CZ ARG A 46 5.853 9.001 -6.149 1.00 0.00 C ATOM 771 NH1 ARG A 46 4.574 9.022 -6.402 1.00 0.00 N ATOM 772 NH2 ARG A 46 6.712 9.040 -7.131 1.00 0.00 N ATOM 0 H ARG A 46 6.078 9.866 0.088 1.00 0.00 H new ATOM 0 HA ARG A 46 6.252 6.904 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.613 7.478 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.016 7.938 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.956 10.287 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.430 9.783 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.629 9.773 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.902 10.922 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 46 6.982 8.256 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.902 8.992 -5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.246 9.069 -7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.713 9.024 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.383 9.087 -8.095 1.00 0.00 H new ATOM 786 N LEU A 47 8.492 9.327 -0.662 1.00 0.00 N ATOM 787 CA LEU A 47 9.958 9.577 -0.543 1.00 0.00 C ATOM 788 C LEU A 47 10.688 8.715 -1.568 1.00 0.00 C ATOM 789 O LEU A 47 11.852 8.400 -1.415 1.00 0.00 O ATOM 790 CB LEU A 47 10.424 9.198 0.869 1.00 0.00 C ATOM 791 CG LEU A 47 9.764 10.127 1.893 1.00 0.00 C ATOM 792 CD1 LEU A 47 9.927 9.534 3.299 1.00 0.00 C ATOM 793 CD2 LEU A 47 10.432 11.502 1.841 1.00 0.00 C ATOM 0 H LEU A 47 7.922 10.156 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 47 10.173 10.630 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.164 8.161 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.509 9.276 0.938 1.00 0.00 H new ATOM 0 HG LEU A 47 8.704 10.229 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.458 10.194 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.452 8.554 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.987 9.433 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.962 12.163 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.492 11.401 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.319 11.924 0.842 1.00 0.00 H new ATOM 805 N SER A 48 10.010 8.324 -2.611 1.00 0.00 N ATOM 806 CA SER A 48 10.664 7.477 -3.643 1.00 0.00 C ATOM 807 C SER A 48 10.496 8.120 -5.024 1.00 0.00 C ATOM 808 O SER A 48 9.760 7.618 -5.850 1.00 0.00 O ATOM 809 CB SER A 48 10.023 6.089 -3.643 1.00 0.00 C ATOM 810 OG SER A 48 8.616 6.217 -3.492 1.00 0.00 O ATOM 0 H SER A 48 9.033 8.555 -2.792 1.00 0.00 H new ATOM 0 HA SER A 48 11.726 7.388 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.254 5.570 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.433 5.487 -2.832 1.00 0.00 H new ATOM 0 HG SER A 48 8.260 6.780 -4.210 1.00 0.00 H new ATOM 816 N PRO A 49 11.191 9.209 -5.232 1.00 0.00 N ATOM 817 CA PRO A 49 11.149 9.947 -6.508 1.00 0.00 C ATOM 818 C PRO A 49 12.015 9.241 -7.562 1.00 0.00 C ATOM 819 O PRO A 49 13.225 9.233 -7.452 1.00 0.00 O ATOM 820 CB PRO A 49 11.739 11.316 -6.154 1.00 0.00 C ATOM 821 CG PRO A 49 12.596 11.104 -4.881 1.00 0.00 C ATOM 822 CD PRO A 49 12.081 9.806 -4.214 1.00 0.00 C ATOM 0 HA PRO A 49 10.146 10.015 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.347 11.701 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.949 12.045 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.652 11.017 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.500 11.952 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.902 9.136 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.544 10.018 -3.290 1.00 0.00 H new ATOM 830 N PRO A 50 11.374 8.670 -8.553 1.00 0.00 N ATOM 831 CA PRO A 50 12.075 7.956 -9.636 1.00 0.00 C ATOM 832 C PRO A 50 12.704 8.955 -10.614 1.00 0.00 C ATOM 833 O PRO A 50 13.910 9.076 -10.700 1.00 0.00 O ATOM 834 CB PRO A 50 10.967 7.151 -10.318 1.00 0.00 C ATOM 835 CG PRO A 50 9.639 7.863 -9.973 1.00 0.00 C ATOM 836 CD PRO A 50 9.901 8.679 -8.688 1.00 0.00 C ATOM 0 HA PRO A 50 12.889 7.327 -9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.120 7.115 -11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.960 6.121 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.324 8.514 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.840 7.139 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 50 9.514 9.694 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.418 8.226 -7.822 1.00 0.00 H new ATOM 844 N SER A 51 11.899 9.674 -11.353 1.00 0.00 N ATOM 845 CA SER A 51 12.465 10.663 -12.324 1.00 0.00 C ATOM 846 C SER A 51 11.944 12.061 -11.987 1.00 0.00 C ATOM 847 O SER A 51 11.525 12.804 -12.852 1.00 0.00 O ATOM 848 CB SER A 51 12.029 10.287 -13.742 1.00 0.00 C ATOM 849 OG SER A 51 10.718 9.742 -13.706 1.00 0.00 O ATOM 0 H SER A 51 10.881 9.621 -11.328 1.00 0.00 H new ATOM 0 HA SER A 51 13.553 10.655 -12.262 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.051 11.166 -14.386 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.724 9.563 -14.167 1.00 0.00 H new ATOM 0 HG SER A 51 10.438 9.503 -14.614 1.00 0.00 H new ATOM 855 N SER A 52 11.964 12.425 -10.734 1.00 0.00 N ATOM 856 CA SER A 52 11.471 13.776 -10.343 1.00 0.00 C ATOM 857 C SER A 52 12.617 14.579 -9.728 1.00 0.00 C ATOM 858 O SER A 52 12.828 15.731 -10.057 1.00 0.00 O ATOM 859 CB SER A 52 10.344 13.629 -9.318 1.00 0.00 C ATOM 860 OG SER A 52 9.332 14.589 -9.585 1.00 0.00 O ATOM 0 H SER A 52 12.300 11.846 -9.965 1.00 0.00 H new ATOM 0 HA SER A 52 11.096 14.296 -11.225 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.927 12.623 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.735 13.768 -8.310 1.00 0.00 H new ATOM 0 HG SER A 52 8.610 14.494 -8.930 1.00 0.00 H new ATOM 866 N SER A 53 13.362 13.984 -8.839 1.00 0.00 N ATOM 867 CA SER A 53 14.495 14.715 -8.205 1.00 0.00 C ATOM 868 C SER A 53 15.505 15.121 -9.280 1.00 0.00 C ATOM 869 O SER A 53 15.289 14.775 -10.429 1.00 0.00 O ATOM 870 CB SER A 53 15.179 13.807 -7.180 1.00 0.00 C ATOM 871 OG SER A 53 14.625 14.044 -5.894 1.00 0.00 O ATOM 872 OXT SER A 53 16.479 15.771 -8.935 1.00 0.00 O ATOM 0 H SER A 53 13.235 13.022 -8.524 1.00 0.00 H new ATOM 0 HA SER A 53 14.117 15.607 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.046 12.762 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.252 13.999 -7.167 1.00 0.00 H new ATOM 0 HG SER A 53 15.061 13.462 -5.237 1.00 0.00 H new TER 878 SER A 53