USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 5 LYS NZ :NH3+ -164:sc= 0.937 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.825 K(o=1.8,f=-2.3) USER MOD Set 2.1: A 12 CYS SG : rot -0:sc= 0.601 USER MOD Set 2.2: A 17 MET CE :methyl -175:sc= -0.227 (180deg=-0.29) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 31:sc= 0.89 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -108:sc= 0.0511 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.44 K(o=0.44,f=-3.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00921 K(o=-0.0092,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 173:sc= 0 (180deg=-0.0458) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.119 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot -162:sc= 0.91 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.158) USER MOD Single : A 50 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.7) USER MOD Single : A 51 SER OG : rot 120:sc= 0.0193 USER MOD Single : A 52 THR OG1 : rot -1:sc= 0.814 USER MOD Single : A 53 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= 1.11 (180deg=0.00948) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.954 (180deg=0.939) USER MOD Single : A 59 SER OG : rot 73:sc= 0.536 USER MOD Single : A 60 ASN : amide:sc= 0.432 K(o=0.43,f=-0.8) USER MOD Single : A 67 ASN : amide:sc= 1.67 K(o=1.7,f=-4.2!) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 14.985 -11.136 7.797 1.00 0.00 N ATOM 2 CA GLY A -3 15.532 -9.763 7.717 1.00 0.00 C ATOM 3 C GLY A -3 14.526 -8.723 8.195 1.00 0.00 C ATOM 4 O GLY A -3 13.324 -8.981 8.244 1.00 0.00 O ATOM 0 H1 GLY A -3 15.446 -11.649 8.575 1.00 0.00 H new ATOM 0 H2 GLY A -3 13.961 -11.092 7.971 1.00 0.00 H new ATOM 0 H3 GLY A -3 15.163 -11.633 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A -3 16.437 -9.697 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A -3 15.818 -9.545 6.688 1.00 0.00 H new ATOM 10 N SER A -2 15.001 -7.526 8.542 1.00 0.00 N ATOM 11 CA SER A -2 14.181 -6.447 9.136 1.00 0.00 C ATOM 12 C SER A -2 13.406 -5.595 8.107 1.00 0.00 C ATOM 13 O SER A -2 12.596 -4.745 8.485 1.00 0.00 O ATOM 14 CB SER A -2 15.075 -5.531 9.990 1.00 0.00 C ATOM 15 OG SER A -2 15.808 -6.274 10.959 1.00 0.00 O ATOM 0 H SER A -2 15.980 -7.266 8.420 1.00 0.00 H new ATOM 0 HA SER A -2 13.427 -6.944 9.746 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.767 -4.991 9.344 1.00 0.00 H new ATOM 0 HB3 SER A -2 14.459 -4.785 10.492 1.00 0.00 H new ATOM 0 HG SER A -2 16.367 -5.664 11.484 1.00 0.00 H new ATOM 21 N SER A -1 13.625 -5.807 6.809 1.00 0.00 N ATOM 22 CA SER A -1 13.053 -5.029 5.698 1.00 0.00 C ATOM 23 C SER A -1 13.167 -5.786 4.358 1.00 0.00 C ATOM 24 O SER A -1 13.824 -6.831 4.273 1.00 0.00 O ATOM 25 CB SER A -1 13.723 -3.642 5.616 1.00 0.00 C ATOM 26 OG SER A -1 15.124 -3.732 5.375 1.00 0.00 O ATOM 0 H SER A -1 14.233 -6.559 6.484 1.00 0.00 H new ATOM 0 HA SER A -1 11.990 -4.887 5.895 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.256 -3.062 4.820 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.551 -3.102 6.547 1.00 0.00 H new ATOM 0 HG SER A -1 15.507 -2.831 5.329 1.00 0.00 H new ATOM 32 N GLY A 0 12.513 -5.272 3.305 1.00 0.00 N ATOM 33 CA GLY A 0 12.450 -5.894 1.974 1.00 0.00 C ATOM 34 C GLY A 0 11.203 -6.761 1.785 1.00 0.00 C ATOM 35 O GLY A 0 10.151 -6.481 2.359 1.00 0.00 O ATOM 0 H GLY A 0 12.001 -4.391 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 0 12.464 -5.114 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.339 -6.506 1.821 1.00 0.00 H new ATOM 39 N SER A 1 11.307 -7.770 0.917 1.00 0.00 N ATOM 40 CA SER A 1 10.268 -8.779 0.594 1.00 0.00 C ATOM 41 C SER A 1 9.076 -8.248 -0.236 1.00 0.00 C ATOM 42 O SER A 1 8.224 -9.026 -0.666 1.00 0.00 O ATOM 43 CB SER A 1 9.772 -9.523 1.851 1.00 0.00 C ATOM 44 OG SER A 1 10.851 -10.133 2.555 1.00 0.00 O ATOM 0 H SER A 1 12.164 -7.923 0.385 1.00 0.00 H new ATOM 0 HA SER A 1 10.782 -9.488 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.255 -8.824 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.047 -10.284 1.563 1.00 0.00 H new ATOM 0 HG SER A 1 10.505 -10.595 3.347 1.00 0.00 H new ATOM 50 N SER A 2 9.017 -6.941 -0.511 1.00 0.00 N ATOM 51 CA SER A 2 8.028 -6.256 -1.360 1.00 0.00 C ATOM 52 C SER A 2 8.532 -4.845 -1.710 1.00 0.00 C ATOM 53 O SER A 2 8.735 -4.011 -0.824 1.00 0.00 O ATOM 54 CB SER A 2 6.659 -6.161 -0.654 1.00 0.00 C ATOM 55 OG SER A 2 5.946 -7.388 -0.729 1.00 0.00 O ATOM 0 H SER A 2 9.700 -6.290 -0.124 1.00 0.00 H new ATOM 0 HA SER A 2 7.901 -6.837 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.806 -5.888 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.068 -5.367 -1.111 1.00 0.00 H new ATOM 0 HG SER A 2 6.580 -8.135 -0.739 1.00 0.00 H new ATOM 61 N GLY A 3 8.744 -4.565 -3.005 1.00 0.00 N ATOM 62 CA GLY A 3 9.320 -3.297 -3.489 1.00 0.00 C ATOM 63 C GLY A 3 8.307 -2.171 -3.696 1.00 0.00 C ATOM 64 O GLY A 3 8.703 -1.037 -3.952 1.00 0.00 O ATOM 0 H GLY A 3 8.519 -5.218 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.074 -2.962 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.833 -3.484 -4.433 1.00 0.00 H new ATOM 68 N ILE A 4 7.005 -2.452 -3.589 1.00 0.00 N ATOM 69 CA ILE A 4 5.917 -1.506 -3.905 1.00 0.00 C ATOM 70 C ILE A 4 5.871 -0.278 -2.980 1.00 0.00 C ATOM 71 O ILE A 4 5.566 0.827 -3.429 1.00 0.00 O ATOM 72 CB ILE A 4 4.575 -2.273 -3.959 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.414 -1.434 -4.526 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.165 -2.823 -2.580 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.597 -1.014 -5.986 1.00 0.00 C ATOM 0 H ILE A 4 6.665 -3.361 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 4 6.119 -1.080 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 4 4.760 -3.103 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.490 -2.006 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.295 -0.539 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.217 -3.354 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.932 -3.508 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.055 -1.997 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.736 -0.427 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.501 -0.413 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.684 -1.902 -6.612 1.00 0.00 H new ATOM 87 N LYS A 5 6.258 -0.435 -1.713 1.00 0.00 N ATOM 88 CA LYS A 5 6.323 0.670 -0.744 1.00 0.00 C ATOM 89 C LYS A 5 7.450 1.665 -1.087 1.00 0.00 C ATOM 90 O LYS A 5 7.292 2.875 -0.921 1.00 0.00 O ATOM 91 CB LYS A 5 6.454 0.067 0.674 1.00 0.00 C ATOM 92 CG LYS A 5 5.487 0.689 1.695 1.00 0.00 C ATOM 93 CD LYS A 5 5.878 2.077 2.220 1.00 0.00 C ATOM 94 CE LYS A 5 7.103 2.014 3.145 1.00 0.00 C ATOM 95 NZ LYS A 5 7.167 3.193 4.049 1.00 0.00 N ATOM 0 H LYS A 5 6.537 -1.336 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 5 5.407 1.259 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.274 -1.007 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.477 0.202 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.500 0.758 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.398 0.011 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.091 2.737 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.037 2.511 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.065 1.101 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.011 1.966 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.120 3.265 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.957 4.056 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.469 3.084 4.812 1.00 0.00 H new ATOM 109 N ASN A 6 8.557 1.168 -1.649 1.00 0.00 N ATOM 110 CA ASN A 6 9.638 1.992 -2.198 1.00 0.00 C ATOM 111 C ASN A 6 9.309 2.537 -3.602 1.00 0.00 C ATOM 112 O ASN A 6 9.759 3.625 -3.954 1.00 0.00 O ATOM 113 CB ASN A 6 10.934 1.166 -2.210 1.00 0.00 C ATOM 114 CG ASN A 6 12.144 1.997 -2.632 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.462 3.018 -2.033 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.850 1.592 -3.674 1.00 0.00 N ATOM 0 H ASN A 6 8.729 0.166 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 6 9.764 2.867 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.108 0.752 -1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.819 0.323 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.661 2.129 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.584 0.742 -4.171 1.00 0.00 H new ATOM 123 N PHE A 7 8.489 1.829 -4.391 1.00 0.00 N ATOM 124 CA PHE A 7 8.078 2.250 -5.733 1.00 0.00 C ATOM 125 C PHE A 7 7.220 3.517 -5.691 1.00 0.00 C ATOM 126 O PHE A 7 7.483 4.443 -6.455 1.00 0.00 O ATOM 127 CB PHE A 7 7.325 1.108 -6.426 1.00 0.00 C ATOM 128 CG PHE A 7 6.857 1.437 -7.829 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.741 1.317 -8.918 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.539 1.884 -8.046 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.306 1.637 -10.216 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.107 2.207 -9.344 1.00 0.00 C ATOM 133 CZ PHE A 7 5.989 2.078 -10.431 1.00 0.00 C ATOM 0 H PHE A 7 8.088 0.935 -4.108 1.00 0.00 H new ATOM 0 HA PHE A 7 8.975 2.488 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.973 0.232 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.460 0.837 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.754 0.979 -8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.858 1.979 -7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.986 1.544 -11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.097 2.554 -9.506 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.655 2.317 -11.430 1.00 0.00 H new ATOM 143 N LEU A 8 6.247 3.596 -4.772 1.00 0.00 N ATOM 144 CA LEU A 8 5.447 4.811 -4.583 1.00 0.00 C ATOM 145 C LEU A 8 6.319 5.985 -4.113 1.00 0.00 C ATOM 146 O LEU A 8 6.209 7.090 -4.638 1.00 0.00 O ATOM 147 CB LEU A 8 4.291 4.519 -3.609 1.00 0.00 C ATOM 148 CG LEU A 8 3.314 5.703 -3.407 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.772 6.292 -4.720 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.126 5.246 -2.548 1.00 0.00 C ATOM 0 H LEU A 8 5.996 2.830 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 8 5.019 5.111 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.731 3.659 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.708 4.238 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 8 3.887 6.489 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.095 7.116 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.602 6.658 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.234 5.520 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.438 6.079 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.607 4.429 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.488 4.905 -1.578 1.00 0.00 H new ATOM 162 N TYR A 9 7.236 5.733 -3.174 1.00 0.00 N ATOM 163 CA TYR A 9 8.164 6.749 -2.672 1.00 0.00 C ATOM 164 C TYR A 9 9.102 7.291 -3.769 1.00 0.00 C ATOM 165 O TYR A 9 9.289 8.504 -3.881 1.00 0.00 O ATOM 166 CB TYR A 9 8.947 6.161 -1.490 1.00 0.00 C ATOM 167 CG TYR A 9 9.788 7.181 -0.750 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.220 7.934 0.297 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.133 7.392 -1.114 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.988 8.898 0.975 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.907 8.357 -0.441 1.00 0.00 C ATOM 172 CZ TYR A 9 11.334 9.116 0.606 1.00 0.00 C ATOM 173 OH TYR A 9 12.075 10.052 1.264 1.00 0.00 O ATOM 0 H TYR A 9 7.355 4.817 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 9 7.588 7.611 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.245 5.706 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.595 5.364 -1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.191 7.770 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.572 6.811 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.549 9.471 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.937 8.517 -0.724 1.00 0.00 H new ATOM 0 HH TYR A 9 12.980 10.076 0.888 1.00 0.00 H new ATOM 183 N ALA A 10 9.640 6.410 -4.620 1.00 0.00 N ATOM 184 CA ALA A 10 10.492 6.767 -5.756 1.00 0.00 C ATOM 185 C ALA A 10 9.718 7.485 -6.877 1.00 0.00 C ATOM 186 O ALA A 10 10.219 8.458 -7.435 1.00 0.00 O ATOM 187 CB ALA A 10 11.174 5.491 -6.269 1.00 0.00 C ATOM 0 H ALA A 10 9.490 5.405 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 10 11.243 7.482 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.814 5.736 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.777 5.056 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.415 4.774 -6.583 1.00 0.00 H new ATOM 193 N TRP A 11 8.483 7.063 -7.167 1.00 0.00 N ATOM 194 CA TRP A 11 7.591 7.729 -8.122 1.00 0.00 C ATOM 195 C TRP A 11 7.284 9.169 -7.688 1.00 0.00 C ATOM 196 O TRP A 11 7.447 10.103 -8.472 1.00 0.00 O ATOM 197 CB TRP A 11 6.308 6.901 -8.260 1.00 0.00 C ATOM 198 CG TRP A 11 5.260 7.514 -9.135 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.114 7.323 -10.465 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.191 8.428 -8.745 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.048 8.070 -10.929 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.454 8.785 -9.911 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.765 8.983 -7.519 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.371 9.673 -9.862 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.669 9.862 -7.458 1.00 0.00 C ATOM 206 CH2 TRP A 11 1.976 10.215 -8.628 1.00 0.00 C ATOM 0 H TRP A 11 8.068 6.236 -6.738 1.00 0.00 H new ATOM 0 HA TRP A 11 8.084 7.793 -9.092 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.566 5.920 -8.658 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.886 6.742 -7.268 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.736 6.683 -11.073 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.740 8.090 -11.901 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.291 8.728 -6.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.844 9.939 -10.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.358 10.268 -6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.143 10.900 -8.579 1.00 0.00 H new ATOM 217 N CYS A 12 6.926 9.360 -6.414 1.00 0.00 N ATOM 218 CA CYS A 12 6.768 10.681 -5.795 1.00 0.00 C ATOM 219 C CYS A 12 8.059 11.518 -5.882 1.00 0.00 C ATOM 220 O CYS A 12 8.009 12.678 -6.294 1.00 0.00 O ATOM 221 CB CYS A 12 6.335 10.475 -4.339 1.00 0.00 C ATOM 222 SG CYS A 12 4.557 10.121 -4.237 1.00 0.00 S ATOM 0 H CYS A 12 6.735 8.589 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 12 6.008 11.245 -6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.900 9.652 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.567 11.367 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 12 4.044 10.129 -5.431 1.00 0.00 H new ATOM 228 N GLY A 13 9.218 10.924 -5.576 1.00 0.00 N ATOM 229 CA GLY A 13 10.524 11.599 -5.592 1.00 0.00 C ATOM 230 C GLY A 13 10.983 12.034 -6.987 1.00 0.00 C ATOM 231 O GLY A 13 11.693 13.031 -7.113 1.00 0.00 O ATOM 0 H GLY A 13 9.277 9.942 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.476 12.476 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.272 10.930 -5.166 1.00 0.00 H new ATOM 235 N LYS A 14 10.521 11.359 -8.046 1.00 0.00 N ATOM 236 CA LYS A 14 10.759 11.743 -9.451 1.00 0.00 C ATOM 237 C LYS A 14 9.820 12.873 -9.930 1.00 0.00 C ATOM 238 O LYS A 14 10.002 13.412 -11.024 1.00 0.00 O ATOM 239 CB LYS A 14 10.641 10.485 -10.335 1.00 0.00 C ATOM 240 CG LYS A 14 11.851 9.547 -10.162 1.00 0.00 C ATOM 241 CD LYS A 14 11.659 8.189 -10.852 1.00 0.00 C ATOM 242 CE LYS A 14 11.525 8.327 -12.376 1.00 0.00 C ATOM 243 NZ LYS A 14 11.424 7.003 -13.044 1.00 0.00 N ATOM 0 H LYS A 14 9.959 10.513 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 14 11.765 12.153 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.726 9.948 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.558 10.782 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.740 10.031 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.030 9.386 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.506 7.543 -10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.769 7.703 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.642 8.921 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.386 8.868 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.335 7.138 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.278 6.446 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.588 6.497 -12.688 1.00 0.00 H new ATOM 257 N ARG A 15 8.841 13.244 -9.095 1.00 0.00 N ATOM 258 CA ARG A 15 7.814 14.271 -9.326 1.00 0.00 C ATOM 259 C ARG A 15 7.873 15.415 -8.289 1.00 0.00 C ATOM 260 O ARG A 15 6.963 16.242 -8.237 1.00 0.00 O ATOM 261 CB ARG A 15 6.435 13.585 -9.325 1.00 0.00 C ATOM 262 CG ARG A 15 6.276 12.531 -10.437 1.00 0.00 C ATOM 263 CD ARG A 15 4.913 11.832 -10.391 1.00 0.00 C ATOM 264 NE ARG A 15 3.802 12.751 -10.713 1.00 0.00 N ATOM 265 CZ ARG A 15 2.919 12.626 -11.698 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.949 11.661 -12.588 1.00 0.00 N ATOM 267 NH2 ARG A 15 1.939 13.487 -11.829 1.00 0.00 N ATOM 0 H ARG A 15 8.737 12.807 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 15 7.999 14.741 -10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.275 13.109 -8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.660 14.343 -9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.403 13.010 -11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.066 11.786 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.910 11.000 -11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.757 11.410 -9.398 1.00 0.00 H new ATOM 0 HE ARG A 15 3.702 13.571 -10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.681 10.951 -12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.241 11.621 -13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.849 14.262 -11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.266 13.382 -12.589 1.00 0.00 H new ATOM 281 N LYS A 16 8.919 15.457 -7.447 1.00 0.00 N ATOM 282 CA LYS A 16 9.142 16.448 -6.370 1.00 0.00 C ATOM 283 C LYS A 16 8.080 16.384 -5.240 1.00 0.00 C ATOM 284 O LYS A 16 7.746 17.399 -4.621 1.00 0.00 O ATOM 285 CB LYS A 16 9.345 17.868 -6.953 1.00 0.00 C ATOM 286 CG LYS A 16 10.503 17.948 -7.964 1.00 0.00 C ATOM 287 CD LYS A 16 10.722 19.397 -8.424 1.00 0.00 C ATOM 288 CE LYS A 16 11.925 19.543 -9.371 1.00 0.00 C ATOM 289 NZ LYS A 16 11.689 18.924 -10.702 1.00 0.00 N ATOM 0 H LYS A 16 9.671 14.770 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 16 10.073 16.175 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.424 18.189 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.535 18.565 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.416 17.563 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.285 17.317 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.823 19.754 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.873 20.032 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.152 20.601 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.801 19.084 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.531 19.052 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.500 17.908 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.871 19.378 -11.156 1.00 0.00 H new ATOM 303 N MET A 17 7.544 15.188 -4.974 1.00 0.00 N ATOM 304 CA MET A 17 6.528 14.886 -3.950 1.00 0.00 C ATOM 305 C MET A 17 7.050 13.874 -2.913 1.00 0.00 C ATOM 306 O MET A 17 8.100 13.254 -3.110 1.00 0.00 O ATOM 307 CB MET A 17 5.265 14.326 -4.635 1.00 0.00 C ATOM 308 CG MET A 17 4.636 15.316 -5.622 1.00 0.00 C ATOM 309 SD MET A 17 3.005 14.843 -6.257 1.00 0.00 S ATOM 310 CE MET A 17 3.374 13.214 -6.958 1.00 0.00 C ATOM 0 H MET A 17 7.820 14.356 -5.495 1.00 0.00 H new ATOM 0 HA MET A 17 6.291 15.810 -3.422 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.521 13.407 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.531 14.063 -3.874 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.550 16.287 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.314 15.443 -6.466 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.491 12.828 -7.467 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.194 13.302 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.660 12.530 -6.159 1.00 0.00 H new ATOM 320 N THR A 18 6.262 13.654 -1.852 1.00 0.00 N ATOM 321 CA THR A 18 6.490 12.657 -0.788 1.00 0.00 C ATOM 322 C THR A 18 5.136 12.051 -0.383 1.00 0.00 C ATOM 323 O THR A 18 4.215 12.830 -0.121 1.00 0.00 O ATOM 324 CB THR A 18 7.161 13.309 0.433 1.00 0.00 C ATOM 325 OG1 THR A 18 8.342 13.969 0.027 1.00 0.00 O ATOM 326 CG2 THR A 18 7.557 12.275 1.491 1.00 0.00 C ATOM 0 H THR A 18 5.407 14.190 -1.702 1.00 0.00 H new ATOM 0 HA THR A 18 7.153 11.876 -1.160 1.00 0.00 H new ATOM 0 HB THR A 18 6.438 14.003 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.768 14.385 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.027 12.780 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.668 11.746 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.259 11.562 1.058 1.00 0.00 H new ATOM 334 N PRO A 19 4.979 10.711 -0.331 1.00 0.00 N ATOM 335 CA PRO A 19 3.735 10.074 0.091 1.00 0.00 C ATOM 336 C PRO A 19 3.591 10.130 1.617 1.00 0.00 C ATOM 337 O PRO A 19 4.568 9.966 2.352 1.00 0.00 O ATOM 338 CB PRO A 19 3.822 8.636 -0.425 1.00 0.00 C ATOM 339 CG PRO A 19 5.321 8.342 -0.387 1.00 0.00 C ATOM 340 CD PRO A 19 5.966 9.697 -0.684 1.00 0.00 C ATOM 0 HA PRO A 19 2.855 10.578 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.260 7.947 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.419 8.545 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.629 7.957 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.601 7.594 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.880 9.827 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.242 9.773 -1.736 1.00 0.00 H new ATOM 348 N ALA A 20 2.363 10.352 2.092 1.00 0.00 N ATOM 349 CA ALA A 20 2.027 10.452 3.513 1.00 0.00 C ATOM 350 C ALA A 20 1.120 9.287 3.940 1.00 0.00 C ATOM 351 O ALA A 20 -0.003 9.157 3.452 1.00 0.00 O ATOM 352 CB ALA A 20 1.369 11.815 3.762 1.00 0.00 C ATOM 0 H ALA A 20 1.554 10.470 1.482 1.00 0.00 H new ATOM 0 HA ALA A 20 2.930 10.381 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.111 11.907 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.063 12.610 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.465 11.898 3.159 1.00 0.00 H new ATOM 358 N TYR A 21 1.614 8.454 4.859 1.00 0.00 N ATOM 359 CA TYR A 21 0.933 7.249 5.359 1.00 0.00 C ATOM 360 C TYR A 21 0.241 7.478 6.718 1.00 0.00 C ATOM 361 O TYR A 21 0.644 8.345 7.499 1.00 0.00 O ATOM 362 CB TYR A 21 1.946 6.095 5.476 1.00 0.00 C ATOM 363 CG TYR A 21 2.537 5.608 4.165 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.669 6.244 3.617 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.969 4.504 3.499 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.210 5.802 2.397 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.505 4.053 2.277 1.00 0.00 C ATOM 368 CZ TYR A 21 3.618 4.718 1.712 1.00 0.00 C ATOM 369 OH TYR A 21 4.124 4.325 0.511 1.00 0.00 O ATOM 0 H TYR A 21 2.526 8.601 5.291 1.00 0.00 H new ATOM 0 HA TYR A 21 0.152 6.996 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.761 6.415 6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.457 5.254 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.123 7.075 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.116 4.000 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.079 6.292 1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.068 3.203 1.774 1.00 0.00 H new ATOM 0 HH TYR A 21 5.085 4.514 0.483 1.00 0.00 H new ATOM 379 N GLU A 22 -0.757 6.648 7.030 1.00 0.00 N ATOM 380 CA GLU A 22 -1.413 6.558 8.340 1.00 0.00 C ATOM 381 C GLU A 22 -1.842 5.107 8.612 1.00 0.00 C ATOM 382 O GLU A 22 -2.110 4.350 7.678 1.00 0.00 O ATOM 383 CB GLU A 22 -2.588 7.554 8.405 1.00 0.00 C ATOM 384 CG GLU A 22 -3.312 7.618 9.758 1.00 0.00 C ATOM 385 CD GLU A 22 -2.369 8.013 10.906 1.00 0.00 C ATOM 386 OE1 GLU A 22 -1.669 7.122 11.443 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.326 9.211 11.276 1.00 0.00 O ATOM 0 H GLU A 22 -1.147 5.994 6.351 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.716 6.836 9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.215 8.549 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.312 7.289 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.128 8.338 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.758 6.648 9.975 1.00 0.00 H new ATOM 394 N ILE A 23 -1.869 4.695 9.885 1.00 0.00 N ATOM 395 CA ILE A 23 -2.034 3.297 10.334 1.00 0.00 C ATOM 396 C ILE A 23 -3.092 3.202 11.449 1.00 0.00 C ATOM 397 O ILE A 23 -3.225 4.113 12.270 1.00 0.00 O ATOM 398 CB ILE A 23 -0.653 2.720 10.755 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.288 2.667 9.525 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.771 1.324 11.405 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.688 2.106 9.792 1.00 0.00 C ATOM 0 H ILE A 23 -1.773 5.346 10.664 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.406 2.686 9.512 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.234 3.385 11.510 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.186 2.062 8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.390 3.675 9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.221 0.966 11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.394 1.389 12.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.223 0.630 10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.265 2.113 8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.191 2.722 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.606 1.084 10.161 1.00 0.00 H new ATOM 413 N ARG A 24 -3.846 2.094 11.474 1.00 0.00 N ATOM 414 CA ARG A 24 -5.018 1.885 12.338 1.00 0.00 C ATOM 415 C ARG A 24 -5.132 0.423 12.784 1.00 0.00 C ATOM 416 O ARG A 24 -5.005 -0.496 11.977 1.00 0.00 O ATOM 417 CB ARG A 24 -6.260 2.333 11.554 1.00 0.00 C ATOM 418 CG ARG A 24 -7.540 2.471 12.390 1.00 0.00 C ATOM 419 CD ARG A 24 -8.710 3.006 11.543 1.00 0.00 C ATOM 420 NE ARG A 24 -8.492 4.401 11.106 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.121 4.831 9.902 1.00 0.00 C ATOM 422 NH1 ARG A 24 -7.920 4.039 8.872 1.00 0.00 N ATOM 423 NH2 ARG A 24 -7.925 6.108 9.677 1.00 0.00 N ATOM 0 H ARG A 24 -3.651 1.292 10.874 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.920 2.473 13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.047 3.292 11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.443 1.617 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.807 1.502 12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.358 3.144 13.228 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.843 2.370 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.632 2.949 12.122 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.644 5.121 11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.048 3.032 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.636 4.432 7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.057 6.784 10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.641 6.425 8.750 1.00 0.00 H new ATOM 437 N ALA A 25 -5.372 0.206 14.073 1.00 0.00 N ATOM 438 CA ALA A 25 -5.472 -1.121 14.695 1.00 0.00 C ATOM 439 C ALA A 25 -6.909 -1.672 14.612 1.00 0.00 C ATOM 440 O ALA A 25 -7.866 -0.930 14.845 1.00 0.00 O ATOM 441 CB ALA A 25 -4.985 -1.004 16.145 1.00 0.00 C ATOM 0 H ALA A 25 -5.507 0.967 14.738 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.845 -1.834 14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.049 -1.978 16.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.950 -0.661 16.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.609 -0.289 16.682 1.00 0.00 H new ATOM 447 N VAL A 26 -7.061 -2.960 14.289 1.00 0.00 N ATOM 448 CA VAL A 26 -8.351 -3.643 14.053 1.00 0.00 C ATOM 449 C VAL A 26 -8.280 -5.128 14.447 1.00 0.00 C ATOM 450 O VAL A 26 -7.196 -5.676 14.632 1.00 0.00 O ATOM 451 CB VAL A 26 -8.836 -3.511 12.584 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.177 -2.064 12.195 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.845 -4.098 11.564 1.00 0.00 C ATOM 0 H VAL A 26 -6.263 -3.585 14.179 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.079 -3.140 14.690 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.751 -4.103 12.547 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.510 -2.035 11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.971 -1.691 12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.292 -1.438 12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.243 -3.974 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.890 -3.578 11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.698 -5.159 11.768 1.00 0.00 H new ATOM 463 N GLY A 27 -9.438 -5.787 14.568 1.00 0.00 N ATOM 464 CA GLY A 27 -9.541 -7.203 14.941 1.00 0.00 C ATOM 465 C GLY A 27 -9.781 -7.390 16.440 1.00 0.00 C ATOM 466 O GLY A 27 -10.667 -6.753 17.014 1.00 0.00 O ATOM 0 H GLY A 27 -10.343 -5.345 14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.356 -7.665 14.384 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.625 -7.720 14.654 1.00 0.00 H new ATOM 470 N ASN A 28 -9.023 -8.297 17.059 1.00 0.00 N ATOM 471 CA ASN A 28 -9.192 -8.738 18.449 1.00 0.00 C ATOM 472 C ASN A 28 -7.971 -8.385 19.329 1.00 0.00 C ATOM 473 O ASN A 28 -6.850 -8.247 18.837 1.00 0.00 O ATOM 474 CB ASN A 28 -9.487 -10.249 18.410 1.00 0.00 C ATOM 475 CG ASN A 28 -9.739 -10.846 19.789 1.00 0.00 C ATOM 476 OD1 ASN A 28 -8.821 -11.311 20.449 1.00 0.00 O ATOM 477 ND2 ASN A 28 -10.966 -10.817 20.274 1.00 0.00 N ATOM 0 H ASN A 28 -8.246 -8.763 16.591 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.023 -8.211 18.918 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.358 -10.427 17.779 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.647 -10.765 17.946 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.155 -11.184 21.207 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.726 -10.427 19.716 1.00 0.00 H new ATOM 484 N LYS A 29 -8.168 -8.279 20.649 1.00 0.00 N ATOM 485 CA LYS A 29 -7.104 -8.003 21.635 1.00 0.00 C ATOM 486 C LYS A 29 -5.950 -9.025 21.585 1.00 0.00 C ATOM 487 O LYS A 29 -4.776 -8.651 21.596 1.00 0.00 O ATOM 488 CB LYS A 29 -7.726 -8.008 23.046 1.00 0.00 C ATOM 489 CG LYS A 29 -8.872 -7.012 23.274 1.00 0.00 C ATOM 490 CD LYS A 29 -8.426 -5.544 23.203 1.00 0.00 C ATOM 491 CE LYS A 29 -9.604 -4.625 23.555 1.00 0.00 C ATOM 492 NZ LYS A 29 -9.215 -3.191 23.521 1.00 0.00 N ATOM 0 H LYS A 29 -9.089 -8.384 21.075 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.676 -7.031 21.390 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.095 -9.012 23.256 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.939 -7.799 23.770 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.648 -7.185 22.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.320 -7.201 24.250 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.600 -5.372 23.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.059 -5.314 22.203 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.421 -4.797 22.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.977 -4.877 24.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.037 -2.602 23.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.453 -3.022 24.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.883 -2.944 22.567 1.00 0.00 H new ATOM 506 N ASN A 30 -6.292 -10.313 21.491 1.00 0.00 N ATOM 507 CA ASN A 30 -5.345 -11.432 21.387 1.00 0.00 C ATOM 508 C ASN A 30 -4.866 -11.694 19.940 1.00 0.00 C ATOM 509 O ASN A 30 -3.734 -12.143 19.745 1.00 0.00 O ATOM 510 CB ASN A 30 -6.005 -12.678 22.003 1.00 0.00 C ATOM 511 CG ASN A 30 -5.066 -13.881 22.043 1.00 0.00 C ATOM 512 OD1 ASN A 30 -5.102 -14.748 21.177 1.00 0.00 O ATOM 513 ND2 ASN A 30 -4.202 -13.968 23.039 1.00 0.00 N ATOM 0 H ASN A 30 -7.265 -10.618 21.485 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.440 -11.174 21.937 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.336 -12.446 23.015 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.895 -12.935 21.428 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.561 -14.759 23.090 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.176 -13.244 23.757 1.00 0.00 H new ATOM 520 N ARG A 31 -5.692 -11.366 18.932 1.00 0.00 N ATOM 521 CA ARG A 31 -5.372 -11.465 17.497 1.00 0.00 C ATOM 522 C ARG A 31 -5.480 -10.084 16.831 1.00 0.00 C ATOM 523 O ARG A 31 -6.483 -9.745 16.198 1.00 0.00 O ATOM 524 CB ARG A 31 -6.228 -12.561 16.825 1.00 0.00 C ATOM 525 CG ARG A 31 -5.582 -13.175 15.567 1.00 0.00 C ATOM 526 CD ARG A 31 -5.247 -12.173 14.454 1.00 0.00 C ATOM 527 NE ARG A 31 -4.695 -12.856 13.271 1.00 0.00 N ATOM 528 CZ ARG A 31 -3.780 -12.373 12.438 1.00 0.00 C ATOM 529 NH1 ARG A 31 -3.254 -11.176 12.564 1.00 0.00 N ATOM 530 NH2 ARG A 31 -3.363 -13.093 11.421 1.00 0.00 N ATOM 0 H ARG A 31 -6.634 -11.012 19.099 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.337 -11.780 17.367 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.418 -13.354 17.548 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.196 -12.138 16.555 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.666 -13.688 15.861 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.255 -13.931 15.164 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.145 -11.623 14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.528 -11.442 14.824 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.050 -13.791 13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.545 -10.569 13.330 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.554 -10.854 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.742 -14.028 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.660 -12.717 10.784 1.00 0.00 H new ATOM 544 N GLN A 32 -4.419 -9.296 16.983 1.00 0.00 N ATOM 545 CA GLN A 32 -4.275 -7.954 16.416 1.00 0.00 C ATOM 546 C GLN A 32 -4.076 -8.007 14.888 1.00 0.00 C ATOM 547 O GLN A 32 -3.476 -8.944 14.356 1.00 0.00 O ATOM 548 CB GLN A 32 -3.085 -7.276 17.128 1.00 0.00 C ATOM 549 CG GLN A 32 -2.835 -5.802 16.766 1.00 0.00 C ATOM 550 CD GLN A 32 -3.981 -4.881 17.182 1.00 0.00 C ATOM 551 OE1 GLN A 32 -4.978 -4.736 16.489 1.00 0.00 O ATOM 552 NE2 GLN A 32 -3.901 -4.236 18.329 1.00 0.00 N ATOM 0 H GLN A 32 -3.604 -9.584 17.525 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.184 -7.374 16.577 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.245 -7.343 18.204 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.182 -7.843 16.904 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.915 -5.467 17.245 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.682 -5.719 15.690 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.076 -4.346 18.919 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.664 -3.627 18.626 1.00 0.00 H new ATOM 561 N LYS A 33 -4.555 -6.970 14.196 1.00 0.00 N ATOM 562 CA LYS A 33 -4.355 -6.686 12.766 1.00 0.00 C ATOM 563 C LYS A 33 -4.236 -5.164 12.543 1.00 0.00 C ATOM 564 O LYS A 33 -4.777 -4.367 13.319 1.00 0.00 O ATOM 565 CB LYS A 33 -5.521 -7.260 11.934 1.00 0.00 C ATOM 566 CG LYS A 33 -5.484 -8.785 11.777 1.00 0.00 C ATOM 567 CD LYS A 33 -6.641 -9.278 10.898 1.00 0.00 C ATOM 568 CE LYS A 33 -6.580 -10.804 10.747 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.695 -11.322 9.909 1.00 0.00 N ATOM 0 H LYS A 33 -5.131 -6.258 14.646 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.431 -7.164 12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.463 -6.976 12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.507 -6.803 10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.534 -9.085 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.542 -9.256 12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.593 -8.987 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.589 -8.806 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.627 -11.087 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.620 -11.269 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.619 -12.356 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.604 -11.074 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.642 -10.898 8.961 1.00 0.00 H new ATOM 583 N PHE A 34 -3.548 -4.754 11.476 1.00 0.00 N ATOM 584 CA PHE A 34 -3.274 -3.351 11.162 1.00 0.00 C ATOM 585 C PHE A 34 -3.693 -2.994 9.736 1.00 0.00 C ATOM 586 O PHE A 34 -3.228 -3.593 8.764 1.00 0.00 O ATOM 587 CB PHE A 34 -1.783 -3.044 11.376 1.00 0.00 C ATOM 588 CG PHE A 34 -1.316 -3.223 12.806 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.737 -2.325 13.805 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.480 -4.302 13.146 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.340 -2.517 15.140 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.078 -4.493 14.480 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.513 -3.602 15.478 1.00 0.00 C ATOM 0 H PHE A 34 -3.158 -5.402 10.792 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.868 -2.737 11.839 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.193 -3.692 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.586 -2.018 11.066 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.366 -1.487 13.545 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.146 -4.986 12.380 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.670 -1.831 15.906 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.564 -5.322 14.738 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.211 -3.752 16.504 1.00 0.00 H new ATOM 603 N MET A 35 -4.545 -1.975 9.627 1.00 0.00 N ATOM 604 CA MET A 35 -4.878 -1.298 8.376 1.00 0.00 C ATOM 605 C MET A 35 -3.899 -0.144 8.156 1.00 0.00 C ATOM 606 O MET A 35 -3.365 0.425 9.110 1.00 0.00 O ATOM 607 CB MET A 35 -6.314 -0.749 8.384 1.00 0.00 C ATOM 608 CG MET A 35 -7.359 -1.790 8.785 1.00 0.00 C ATOM 609 SD MET A 35 -9.066 -1.328 8.390 1.00 0.00 S ATOM 610 CE MET A 35 -9.062 -1.676 6.612 1.00 0.00 C ATOM 0 H MET A 35 -5.037 -1.587 10.432 1.00 0.00 H new ATOM 0 HA MET A 35 -4.804 -2.027 7.569 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.369 0.094 9.073 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.555 -0.367 7.392 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.126 -2.731 8.287 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.283 -1.969 9.858 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.072 -1.567 6.218 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.398 -0.976 6.106 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.714 -2.695 6.441 1.00 0.00 H new ATOM 620 N CYS A 36 -3.710 0.246 6.902 1.00 0.00 N ATOM 621 CA CYS A 36 -2.915 1.403 6.514 1.00 0.00 C ATOM 622 C CYS A 36 -3.570 2.120 5.331 1.00 0.00 C ATOM 623 O CYS A 36 -4.231 1.490 4.505 1.00 0.00 O ATOM 624 CB CYS A 36 -1.486 0.927 6.219 1.00 0.00 C ATOM 625 SG CYS A 36 -0.411 2.340 5.843 1.00 0.00 S ATOM 0 H CYS A 36 -4.116 -0.247 6.106 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.866 2.136 7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.093 0.382 7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.493 0.234 5.378 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.833 3.389 6.484 1.00 0.00 H new ATOM 631 N GLU A 37 -3.375 3.428 5.249 1.00 0.00 N ATOM 632 CA GLU A 37 -3.810 4.279 4.156 1.00 0.00 C ATOM 633 C GLU A 37 -2.688 5.248 3.763 1.00 0.00 C ATOM 634 O GLU A 37 -1.840 5.587 4.591 1.00 0.00 O ATOM 635 CB GLU A 37 -5.114 4.999 4.533 1.00 0.00 C ATOM 636 CG GLU A 37 -4.997 5.924 5.752 1.00 0.00 C ATOM 637 CD GLU A 37 -6.351 6.550 6.095 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.708 7.579 5.476 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.052 6.018 6.989 1.00 0.00 O ATOM 0 H GLU A 37 -2.886 3.947 5.978 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.026 3.670 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.451 5.585 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.883 4.252 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.626 5.360 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.270 6.710 5.549 1.00 0.00 H new ATOM 646 N VAL A 38 -2.679 5.687 2.503 1.00 0.00 N ATOM 647 CA VAL A 38 -1.651 6.564 1.922 1.00 0.00 C ATOM 648 C VAL A 38 -2.275 7.617 1.006 1.00 0.00 C ATOM 649 O VAL A 38 -3.242 7.344 0.290 1.00 0.00 O ATOM 650 CB VAL A 38 -0.541 5.753 1.210 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.020 5.055 -0.069 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.678 6.630 0.874 1.00 0.00 C ATOM 0 H VAL A 38 -3.408 5.436 1.835 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.169 7.097 2.742 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.255 4.982 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.191 4.506 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.825 4.362 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.384 5.801 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.435 6.025 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.371 7.443 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.092 7.045 1.793 1.00 0.00 H new ATOM 662 N ARG A 39 -1.715 8.829 1.062 1.00 0.00 N ATOM 663 CA ARG A 39 -2.201 10.036 0.388 1.00 0.00 C ATOM 664 C ARG A 39 -1.028 10.824 -0.216 1.00 0.00 C ATOM 665 O ARG A 39 0.102 10.742 0.271 1.00 0.00 O ATOM 666 CB ARG A 39 -2.987 10.909 1.390 1.00 0.00 C ATOM 667 CG ARG A 39 -4.153 10.157 2.060 1.00 0.00 C ATOM 668 CD ARG A 39 -5.014 11.084 2.923 1.00 0.00 C ATOM 669 NE ARG A 39 -6.034 10.318 3.666 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.261 10.711 3.988 1.00 0.00 C ATOM 671 NH1 ARG A 39 -7.746 11.885 3.642 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.021 9.897 4.684 1.00 0.00 N ATOM 0 H ARG A 39 -0.869 9.003 1.605 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.867 9.747 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.306 11.271 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.377 11.785 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.775 9.695 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.757 9.351 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.380 11.627 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.501 11.827 2.291 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.766 9.381 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.173 12.535 3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.695 12.144 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.665 8.984 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.967 10.178 4.942 1.00 0.00 H new ATOM 686 N VAL A 40 -1.301 11.596 -1.269 1.00 0.00 N ATOM 687 CA VAL A 40 -0.327 12.420 -2.011 1.00 0.00 C ATOM 688 C VAL A 40 -1.002 13.741 -2.401 1.00 0.00 C ATOM 689 O VAL A 40 -2.150 13.740 -2.847 1.00 0.00 O ATOM 690 CB VAL A 40 0.206 11.689 -3.272 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.277 12.521 -3.998 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.831 10.318 -2.946 1.00 0.00 C ATOM 0 H VAL A 40 -2.244 11.672 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 40 0.533 12.611 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.668 11.548 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.627 11.978 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.849 13.474 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.115 12.702 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.187 9.852 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.668 10.453 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.081 9.678 -2.481 1.00 0.00 H new ATOM 702 N GLU A 41 -0.303 14.864 -2.205 1.00 0.00 N ATOM 703 CA GLU A 41 -0.820 16.211 -2.476 1.00 0.00 C ATOM 704 C GLU A 41 -1.172 16.396 -3.965 1.00 0.00 C ATOM 705 O GLU A 41 -0.368 16.098 -4.851 1.00 0.00 O ATOM 706 CB GLU A 41 0.207 17.254 -2.001 1.00 0.00 C ATOM 707 CG GLU A 41 -0.335 18.688 -2.079 1.00 0.00 C ATOM 708 CD GLU A 41 0.670 19.691 -1.493 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.614 19.968 -0.271 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.519 20.217 -2.252 1.00 0.00 O ATOM 0 H GLU A 41 0.653 14.863 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.748 16.351 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.496 17.033 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.108 17.176 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.546 18.944 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.278 18.754 -1.536 1.00 0.00 H new ATOM 717 N GLY A 42 -2.387 16.891 -4.236 1.00 0.00 N ATOM 718 CA GLY A 42 -2.917 17.109 -5.593 1.00 0.00 C ATOM 719 C GLY A 42 -3.753 15.949 -6.150 1.00 0.00 C ATOM 720 O GLY A 42 -4.232 16.049 -7.281 1.00 0.00 O ATOM 0 H GLY A 42 -3.045 17.158 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.529 18.011 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.082 17.294 -6.269 1.00 0.00 H new ATOM 724 N PHE A 43 -3.963 14.879 -5.370 1.00 0.00 N ATOM 725 CA PHE A 43 -4.771 13.709 -5.738 1.00 0.00 C ATOM 726 C PHE A 43 -5.934 13.526 -4.752 1.00 0.00 C ATOM 727 O PHE A 43 -5.746 13.561 -3.535 1.00 0.00 O ATOM 728 CB PHE A 43 -3.872 12.464 -5.796 1.00 0.00 C ATOM 729 CG PHE A 43 -2.764 12.564 -6.831 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.990 12.156 -8.159 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.521 13.122 -6.477 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.980 12.311 -9.126 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.517 13.283 -7.445 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.745 12.878 -8.771 1.00 0.00 C ATOM 0 H PHE A 43 -3.562 14.802 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.207 13.862 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.428 12.301 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.487 11.592 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.940 11.723 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.339 13.427 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.155 11.993 -10.143 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.432 13.719 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.028 13.002 -9.515 1.00 0.00 H new ATOM 744 N ASN A 44 -7.148 13.348 -5.283 1.00 0.00 N ATOM 745 CA ASN A 44 -8.385 13.283 -4.491 1.00 0.00 C ATOM 746 C ASN A 44 -8.583 11.934 -3.764 1.00 0.00 C ATOM 747 O ASN A 44 -9.243 11.876 -2.725 1.00 0.00 O ATOM 748 CB ASN A 44 -9.563 13.597 -5.430 1.00 0.00 C ATOM 749 CG ASN A 44 -10.902 13.655 -4.698 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.688 12.716 -4.726 1.00 0.00 O ATOM 751 ND2 ASN A 44 -11.199 14.754 -4.026 1.00 0.00 N ATOM 0 H ASN A 44 -7.303 13.244 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.323 14.020 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.383 14.551 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.613 12.837 -6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.086 14.823 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.541 15.533 -4.006 1.00 0.00 H new ATOM 758 N TYR A 45 -7.996 10.851 -4.287 1.00 0.00 N ATOM 759 CA TYR A 45 -8.093 9.501 -3.719 1.00 0.00 C ATOM 760 C TYR A 45 -7.150 9.281 -2.517 1.00 0.00 C ATOM 761 O TYR A 45 -6.102 9.923 -2.397 1.00 0.00 O ATOM 762 CB TYR A 45 -7.824 8.482 -4.837 1.00 0.00 C ATOM 763 CG TYR A 45 -8.055 7.032 -4.450 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.355 6.588 -4.144 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.975 6.130 -4.378 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.576 5.256 -3.751 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.190 4.790 -4.000 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.492 4.352 -3.667 1.00 0.00 C ATOM 769 OH TYR A 45 -8.716 3.071 -3.261 1.00 0.00 O ATOM 0 H TYR A 45 -7.429 10.889 -5.134 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.099 9.366 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.461 8.722 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.792 8.594 -5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.187 7.274 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.977 6.468 -4.614 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.575 4.923 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.361 4.098 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.869 2.662 -2.987 1.00 0.00 H new ATOM 779 N ALA A 46 -7.509 8.329 -1.651 1.00 0.00 N ATOM 780 CA ALA A 46 -6.676 7.814 -0.565 1.00 0.00 C ATOM 781 C ALA A 46 -6.668 6.277 -0.639 1.00 0.00 C ATOM 782 O ALA A 46 -7.691 5.633 -0.389 1.00 0.00 O ATOM 783 CB ALA A 46 -7.224 8.342 0.769 1.00 0.00 C ATOM 0 H ALA A 46 -8.424 7.880 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.644 8.153 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.612 7.965 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.198 9.432 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.252 8.004 0.899 1.00 0.00 H new ATOM 789 N GLY A 47 -5.522 5.699 -1.016 1.00 0.00 N ATOM 790 CA GLY A 47 -5.363 4.250 -1.194 1.00 0.00 C ATOM 791 C GLY A 47 -5.092 3.559 0.132 1.00 0.00 C ATOM 792 O GLY A 47 -4.492 4.163 1.022 1.00 0.00 O ATOM 0 H GLY A 47 -4.671 6.228 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.264 3.835 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.542 4.054 -1.884 1.00 0.00 H new ATOM 796 N MET A 48 -5.528 2.307 0.278 1.00 0.00 N ATOM 797 CA MET A 48 -5.538 1.601 1.561 1.00 0.00 C ATOM 798 C MET A 48 -5.396 0.077 1.456 1.00 0.00 C ATOM 799 O MET A 48 -5.775 -0.541 0.459 1.00 0.00 O ATOM 800 CB MET A 48 -6.793 1.998 2.352 1.00 0.00 C ATOM 801 CG MET A 48 -8.111 1.650 1.644 1.00 0.00 C ATOM 802 SD MET A 48 -9.609 2.071 2.575 1.00 0.00 S ATOM 803 CE MET A 48 -9.503 0.865 3.924 1.00 0.00 C ATOM 0 H MET A 48 -5.887 1.749 -0.497 1.00 0.00 H new ATOM 0 HA MET A 48 -4.643 1.916 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.771 1.502 3.322 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.766 3.071 2.542 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.139 2.167 0.685 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.121 0.581 1.431 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.442 0.855 4.477 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.314 -0.126 3.512 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.689 1.140 4.595 1.00 0.00 H new ATOM 813 N GLY A 49 -4.831 -0.514 2.513 1.00 0.00 N ATOM 814 CA GLY A 49 -4.568 -1.947 2.674 1.00 0.00 C ATOM 815 C GLY A 49 -4.641 -2.403 4.131 1.00 0.00 C ATOM 816 O GLY A 49 -4.876 -1.603 5.037 1.00 0.00 O ATOM 0 H GLY A 49 -4.528 0.025 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.290 -2.513 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.580 -2.177 2.275 1.00 0.00 H new ATOM 820 N ASN A 50 -4.420 -3.697 4.361 1.00 0.00 N ATOM 821 CA ASN A 50 -4.426 -4.328 5.684 1.00 0.00 C ATOM 822 C ASN A 50 -3.509 -5.561 5.723 1.00 0.00 C ATOM 823 O ASN A 50 -3.253 -6.186 4.694 1.00 0.00 O ATOM 824 CB ASN A 50 -5.879 -4.663 6.062 1.00 0.00 C ATOM 825 CG ASN A 50 -6.024 -5.523 7.315 1.00 0.00 C ATOM 826 OD1 ASN A 50 -5.899 -5.055 8.437 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.278 -6.809 7.150 1.00 0.00 N ATOM 0 H ASN A 50 -4.225 -4.358 3.609 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.023 -3.637 6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.427 -3.732 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.349 -5.180 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.371 -7.419 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.381 -7.192 6.210 1.00 0.00 H new ATOM 834 N SER A 51 -3.030 -5.909 6.914 1.00 0.00 N ATOM 835 CA SER A 51 -2.197 -7.093 7.186 1.00 0.00 C ATOM 836 C SER A 51 -2.056 -7.371 8.700 1.00 0.00 C ATOM 837 O SER A 51 -2.643 -6.676 9.536 1.00 0.00 O ATOM 838 CB SER A 51 -0.811 -6.928 6.531 1.00 0.00 C ATOM 839 OG SER A 51 -0.120 -8.170 6.490 1.00 0.00 O ATOM 0 H SER A 51 -3.214 -5.358 7.752 1.00 0.00 H new ATOM 0 HA SER A 51 -2.699 -7.956 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.926 -6.537 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.224 -6.199 7.090 1.00 0.00 H new ATOM 0 HG SER A 51 0.076 -8.405 5.559 1.00 0.00 H new ATOM 845 N THR A 52 -1.251 -8.380 9.061 1.00 0.00 N ATOM 846 CA THR A 52 -0.813 -8.672 10.439 1.00 0.00 C ATOM 847 C THR A 52 0.342 -7.759 10.866 1.00 0.00 C ATOM 848 O THR A 52 0.517 -7.522 12.059 1.00 0.00 O ATOM 849 CB THR A 52 -0.424 -10.153 10.553 1.00 0.00 C ATOM 850 OG1 THR A 52 -1.563 -10.928 10.243 1.00 0.00 O ATOM 851 CG2 THR A 52 0.026 -10.564 11.955 1.00 0.00 C ATOM 0 H THR A 52 -0.872 -9.039 8.381 1.00 0.00 H new ATOM 0 HA THR A 52 -1.642 -8.472 11.118 1.00 0.00 H new ATOM 0 HB THR A 52 0.412 -10.313 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.319 -10.335 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.285 -11.623 11.958 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.898 -9.977 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.783 -10.386 12.664 1.00 0.00 H new ATOM 859 N ASN A 53 1.094 -7.206 9.906 1.00 0.00 N ATOM 860 CA ASN A 53 2.267 -6.353 10.139 1.00 0.00 C ATOM 861 C ASN A 53 2.071 -4.954 9.536 1.00 0.00 C ATOM 862 O ASN A 53 1.551 -4.811 8.429 1.00 0.00 O ATOM 863 CB ASN A 53 3.512 -6.999 9.506 1.00 0.00 C ATOM 864 CG ASN A 53 3.756 -8.450 9.914 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.672 -8.825 11.078 1.00 0.00 O ATOM 866 ND2 ASN A 53 4.077 -9.304 8.958 1.00 0.00 N ATOM 0 H ASN A 53 0.897 -7.344 8.915 1.00 0.00 H new ATOM 0 HA ASN A 53 2.398 -6.253 11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.417 -6.952 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.388 -6.408 9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.257 -10.282 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.145 -8.985 7.991 1.00 0.00 H new ATOM 873 N LYS A 54 2.565 -3.912 10.214 1.00 0.00 N ATOM 874 CA LYS A 54 2.490 -2.519 9.738 1.00 0.00 C ATOM 875 C LYS A 54 3.228 -2.277 8.403 1.00 0.00 C ATOM 876 O LYS A 54 2.806 -1.444 7.601 1.00 0.00 O ATOM 877 CB LYS A 54 3.037 -1.589 10.837 1.00 0.00 C ATOM 878 CG LYS A 54 2.133 -1.547 12.081 1.00 0.00 C ATOM 879 CD LYS A 54 2.619 -0.464 13.056 1.00 0.00 C ATOM 880 CE LYS A 54 1.750 -0.373 14.321 1.00 0.00 C ATOM 881 NZ LYS A 54 1.975 -1.517 15.244 1.00 0.00 N ATOM 0 H LYS A 54 3.032 -4.008 11.116 1.00 0.00 H new ATOM 0 HA LYS A 54 1.442 -2.300 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.033 -1.923 11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.143 -0.581 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.104 -1.344 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.137 -2.519 12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.650 -0.674 13.342 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.619 0.501 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.967 0.559 14.842 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.699 -0.341 14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.116 -2.102 15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.769 -2.092 14.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.197 -1.158 16.194 1.00 0.00 H new ATOM 895 N LYS A 55 4.302 -3.025 8.132 1.00 0.00 N ATOM 896 CA LYS A 55 5.092 -2.926 6.890 1.00 0.00 C ATOM 897 C LYS A 55 4.372 -3.549 5.682 1.00 0.00 C ATOM 898 O LYS A 55 4.308 -2.948 4.608 1.00 0.00 O ATOM 899 CB LYS A 55 6.458 -3.591 7.131 1.00 0.00 C ATOM 900 CG LYS A 55 7.333 -2.772 8.097 1.00 0.00 C ATOM 901 CD LYS A 55 8.619 -3.520 8.474 1.00 0.00 C ATOM 902 CE LYS A 55 9.448 -2.661 9.440 1.00 0.00 C ATOM 903 NZ LYS A 55 10.603 -3.408 10.000 1.00 0.00 N ATOM 0 H LYS A 55 4.657 -3.730 8.778 1.00 0.00 H new ATOM 0 HA LYS A 55 5.227 -1.873 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.308 -4.592 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.978 -3.707 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.589 -1.818 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.765 -2.547 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.374 -4.475 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.199 -3.741 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.809 -1.775 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.811 -2.315 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.192 -2.764 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.257 -4.181 10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.170 -3.803 9.223 1.00 0.00 H new ATOM 917 N ASP A 56 3.751 -4.715 5.873 1.00 0.00 N ATOM 918 CA ASP A 56 2.908 -5.367 4.862 1.00 0.00 C ATOM 919 C ASP A 56 1.611 -4.581 4.611 1.00 0.00 C ATOM 920 O ASP A 56 1.149 -4.493 3.475 1.00 0.00 O ATOM 921 CB ASP A 56 2.582 -6.796 5.311 1.00 0.00 C ATOM 922 CG ASP A 56 3.790 -7.742 5.227 1.00 0.00 C ATOM 923 OD1 ASP A 56 4.191 -8.103 4.095 1.00 0.00 O ATOM 924 OD2 ASP A 56 4.322 -8.132 6.293 1.00 0.00 O ATOM 0 H ASP A 56 3.819 -5.241 6.744 1.00 0.00 H new ATOM 0 HA ASP A 56 3.462 -5.393 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.216 -6.774 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.775 -7.190 4.693 1.00 0.00 H new ATOM 929 N ALA A 57 1.061 -3.942 5.652 1.00 0.00 N ATOM 930 CA ALA A 57 -0.112 -3.075 5.537 1.00 0.00 C ATOM 931 C ALA A 57 0.197 -1.808 4.719 1.00 0.00 C ATOM 932 O ALA A 57 -0.570 -1.469 3.816 1.00 0.00 O ATOM 933 CB ALA A 57 -0.627 -2.759 6.947 1.00 0.00 C ATOM 0 H ALA A 57 1.422 -4.015 6.603 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.899 -3.590 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.502 -2.113 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.899 -3.686 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.154 -2.253 7.515 1.00 0.00 H new ATOM 939 N GLN A 58 1.338 -1.154 4.974 1.00 0.00 N ATOM 940 CA GLN A 58 1.843 -0.047 4.150 1.00 0.00 C ATOM 941 C GLN A 58 2.095 -0.478 2.703 1.00 0.00 C ATOM 942 O GLN A 58 1.757 0.260 1.782 1.00 0.00 O ATOM 943 CB GLN A 58 3.157 0.496 4.730 1.00 0.00 C ATOM 944 CG GLN A 58 2.985 1.434 5.929 1.00 0.00 C ATOM 945 CD GLN A 58 4.347 1.785 6.526 1.00 0.00 C ATOM 946 OE1 GLN A 58 5.114 2.571 5.982 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.716 1.187 7.639 1.00 0.00 N ATOM 0 H GLN A 58 1.942 -1.380 5.764 1.00 0.00 H new ATOM 0 HA GLN A 58 1.075 0.726 4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.782 -0.345 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.694 1.027 3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.471 2.344 5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.360 0.958 6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.085 0.531 8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.633 1.379 8.041 1.00 0.00 H new ATOM 956 N SER A 59 2.655 -1.668 2.478 1.00 0.00 N ATOM 957 CA SER A 59 2.886 -2.191 1.123 1.00 0.00 C ATOM 958 C SER A 59 1.569 -2.423 0.365 1.00 0.00 C ATOM 959 O SER A 59 1.471 -2.111 -0.822 1.00 0.00 O ATOM 960 CB SER A 59 3.704 -3.490 1.175 1.00 0.00 C ATOM 961 OG SER A 59 4.989 -3.278 1.744 1.00 0.00 O ATOM 0 H SER A 59 2.961 -2.295 3.222 1.00 0.00 H new ATOM 0 HA SER A 59 3.453 -1.436 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.166 -4.236 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.814 -3.892 0.168 1.00 0.00 H new ATOM 0 HG SER A 59 4.900 -3.134 2.709 1.00 0.00 H new ATOM 967 N ASN A 60 0.521 -2.891 1.052 1.00 0.00 N ATOM 968 CA ASN A 60 -0.808 -3.068 0.460 1.00 0.00 C ATOM 969 C ASN A 60 -1.514 -1.719 0.214 1.00 0.00 C ATOM 970 O ASN A 60 -2.148 -1.544 -0.829 1.00 0.00 O ATOM 971 CB ASN A 60 -1.640 -4.026 1.337 1.00 0.00 C ATOM 972 CG ASN A 60 -1.137 -5.474 1.304 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.434 -5.903 0.396 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.504 -6.289 2.278 1.00 0.00 N ATOM 0 H ASN A 60 0.571 -3.158 2.035 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.698 -3.522 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.627 -3.668 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.678 -4.002 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.202 -7.263 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.089 -5.944 3.039 1.00 0.00 H new ATOM 981 N ALA A 61 -1.349 -0.734 1.108 1.00 0.00 N ATOM 982 CA ALA A 61 -1.827 0.639 0.907 1.00 0.00 C ATOM 983 C ALA A 61 -1.149 1.325 -0.288 1.00 0.00 C ATOM 984 O ALA A 61 -1.827 1.935 -1.116 1.00 0.00 O ATOM 985 CB ALA A 61 -1.606 1.431 2.202 1.00 0.00 C ATOM 0 H ALA A 61 -0.875 -0.871 2.000 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.890 0.607 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.957 2.454 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.160 0.961 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.544 1.441 2.446 1.00 0.00 H new ATOM 991 N ALA A 62 0.171 1.162 -0.421 1.00 0.00 N ATOM 992 CA ALA A 62 0.937 1.632 -1.571 1.00 0.00 C ATOM 993 C ALA A 62 0.457 0.963 -2.866 1.00 0.00 C ATOM 994 O ALA A 62 0.139 1.663 -3.828 1.00 0.00 O ATOM 995 CB ALA A 62 2.427 1.384 -1.297 1.00 0.00 C ATOM 0 H ALA A 62 0.743 0.692 0.281 1.00 0.00 H new ATOM 0 HA ALA A 62 0.782 2.702 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.016 1.729 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.728 1.928 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.597 0.318 -1.147 1.00 0.00 H new ATOM 1001 N ARG A 63 0.318 -0.371 -2.876 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.160 -1.119 -4.046 1.00 0.00 C ATOM 1003 C ARG A 63 -1.538 -0.654 -4.521 1.00 0.00 C ATOM 1004 O ARG A 63 -1.752 -0.560 -5.730 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.164 -2.632 -3.745 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.477 -3.510 -4.971 1.00 0.00 C ATOM 1007 CD ARG A 63 0.555 -3.377 -6.103 1.00 0.00 C ATOM 1008 NE ARG A 63 0.099 -4.033 -7.339 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.671 -3.497 -8.280 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -1.224 -2.305 -8.151 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.899 -4.168 -9.387 1.00 0.00 N ATOM 0 H ARG A 63 0.534 -0.961 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 63 0.533 -0.918 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.810 -2.916 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.899 -2.836 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.527 -4.553 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.462 -3.245 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.744 -2.322 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.501 -3.816 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 63 0.404 -4.995 -7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.066 -1.759 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.809 -1.931 -8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.486 -5.092 -9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.489 -3.765 -10.115 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.439 -0.319 -3.598 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.783 0.184 -3.891 1.00 0.00 C ATOM 1027 C ASP A 64 -3.778 1.625 -4.433 1.00 0.00 C ATOM 1028 O ASP A 64 -4.508 1.919 -5.380 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.635 0.062 -2.621 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.102 0.426 -2.878 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.797 -0.343 -3.583 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.546 1.483 -2.372 1.00 0.00 O ATOM 0 H ASP A 64 -2.250 -0.392 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.214 -0.421 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.576 -0.958 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.229 0.715 -1.848 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.911 2.508 -3.915 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.758 3.861 -4.460 1.00 0.00 C ATOM 1039 C PHE A 65 -2.041 3.861 -5.819 1.00 0.00 C ATOM 1040 O PHE A 65 -2.441 4.590 -6.723 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.045 4.767 -3.451 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.080 6.232 -3.852 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.239 6.997 -3.626 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.978 6.820 -4.499 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.296 8.341 -4.040 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.032 8.165 -4.907 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.192 8.925 -4.681 1.00 0.00 C ATOM 0 H PHE A 65 -2.306 2.307 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.757 4.261 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.511 4.651 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.008 4.447 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.089 6.551 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.088 6.237 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.189 8.923 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.180 8.615 -5.395 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.234 9.956 -5.000 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.039 2.998 -6.009 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.376 2.799 -7.314 1.00 0.00 C ATOM 1059 C VAL A 66 -1.367 2.269 -8.353 1.00 0.00 C ATOM 1060 O VAL A 66 -1.345 2.707 -9.501 1.00 0.00 O ATOM 1061 CB VAL A 66 0.840 1.858 -7.194 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.441 1.462 -8.551 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.929 2.554 -6.373 1.00 0.00 C ATOM 0 H VAL A 66 -0.659 2.413 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.012 3.771 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 66 0.485 0.946 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.292 0.800 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.687 0.948 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.771 2.357 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.793 1.896 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.226 3.477 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.544 2.785 -5.380 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.292 1.400 -7.939 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.396 0.953 -8.789 1.00 0.00 C ATOM 1075 C ASN A 67 -4.236 2.159 -9.258 1.00 0.00 C ATOM 1076 O ASN A 67 -4.387 2.351 -10.462 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.185 -0.162 -8.070 1.00 0.00 C ATOM 1078 CG ASN A 67 -5.693 -0.011 -8.179 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -6.314 -0.400 -9.160 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -6.299 0.597 -7.183 1.00 0.00 N ATOM 0 H ASN A 67 -2.296 0.987 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.023 0.501 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.894 -1.127 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.905 -0.172 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.306 0.753 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.762 0.913 -6.376 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.660 3.053 -8.353 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.332 4.316 -8.704 1.00 0.00 C ATOM 1089 C TYR A 68 -4.519 5.180 -9.688 1.00 0.00 C ATOM 1090 O TYR A 68 -5.073 5.650 -10.682 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.689 5.077 -7.417 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.907 6.569 -7.596 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.116 7.059 -8.125 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.877 7.466 -7.253 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.306 8.446 -8.289 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.059 8.852 -7.416 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.282 9.349 -7.921 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.475 10.693 -8.032 1.00 0.00 O ATOM 0 H TYR A 68 -4.546 2.920 -7.348 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.251 4.074 -9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.594 4.641 -6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.891 4.926 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.900 6.371 -8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.943 7.089 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.234 8.819 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.265 9.536 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.425 10.898 -7.908 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.199 5.306 -9.492 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.312 6.032 -10.413 1.00 0.00 C ATOM 1110 C LEU A 69 -2.247 5.407 -11.820 1.00 0.00 C ATOM 1111 O LEU A 69 -2.060 6.140 -12.789 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.907 6.170 -9.807 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.783 7.008 -8.518 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.659 6.893 -8.005 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -1.158 8.480 -8.751 1.00 0.00 C ATOM 0 H LEU A 69 -2.715 4.906 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.745 7.024 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.527 5.170 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.254 6.609 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.482 6.622 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.768 7.479 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.888 5.848 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.346 7.270 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.057 9.033 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.495 8.910 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.189 8.542 -9.099 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.464 4.095 -11.964 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.641 3.437 -13.278 1.00 0.00 C ATOM 1129 C VAL A 70 -4.016 3.763 -13.877 1.00 0.00 C ATOM 1130 O VAL A 70 -4.099 4.052 -15.070 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.437 1.902 -13.212 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.693 1.200 -14.557 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -1.013 1.551 -12.763 1.00 0.00 C ATOM 0 H VAL A 70 -2.523 3.452 -11.175 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.864 3.839 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.169 1.547 -12.487 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.533 0.128 -14.444 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.720 1.383 -14.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.007 1.592 -15.308 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.900 0.468 -12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.296 1.967 -13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.830 1.969 -11.773 1.00 0.00 H new ATOM 1143 N ARG A 71 -5.082 3.787 -13.060 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.443 4.128 -13.530 1.00 0.00 C ATOM 1145 C ARG A 71 -6.543 5.558 -14.091 1.00 0.00 C ATOM 1146 O ARG A 71 -7.311 5.796 -15.023 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.516 3.943 -12.437 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.551 2.586 -11.717 1.00 0.00 C ATOM 1149 CD ARG A 71 -7.520 1.358 -12.635 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.375 0.131 -11.837 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.536 -1.121 -12.244 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.893 -1.425 -13.474 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.325 -2.091 -11.383 1.00 0.00 N ATOM 0 H ARG A 71 -5.031 3.573 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.637 3.422 -14.337 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.373 4.721 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.493 4.112 -12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.701 2.532 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.453 2.540 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.436 1.312 -13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.693 1.442 -13.340 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.121 0.258 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.057 -0.684 -14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.006 -2.402 -13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.044 -1.872 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.442 -3.063 -11.671 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.739 6.496 -13.574 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.639 7.886 -14.079 1.00 0.00 C ATOM 1169 C ILE A 72 -4.460 8.114 -15.049 1.00 0.00 C ATOM 1170 O ILE A 72 -4.224 9.246 -15.465 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.664 8.913 -12.919 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.416 8.832 -12.017 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.957 8.751 -12.094 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.218 10.069 -11.138 1.00 0.00 C ATOM 0 H ILE A 72 -5.126 6.315 -12.779 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.531 8.053 -14.683 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.648 9.906 -13.368 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.495 7.952 -11.379 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.534 8.695 -12.642 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.964 9.478 -11.282 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.822 8.917 -12.736 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.001 7.744 -11.680 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.322 9.944 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.107 10.950 -11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.083 10.195 -10.487 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.724 7.056 -15.415 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.646 7.033 -16.421 1.00 0.00 C ATOM 1188 C ASN A 73 -1.349 7.768 -15.995 1.00 0.00 C ATOM 1189 O ASN A 73 -0.502 8.080 -16.834 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.164 7.490 -17.801 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.418 6.737 -18.241 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -4.389 5.540 -18.502 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.550 7.413 -18.340 1.00 0.00 N ATOM 0 H ASN A 73 -3.871 6.139 -14.994 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.341 5.990 -16.504 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.380 8.558 -17.768 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.380 7.346 -18.544 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.403 6.938 -18.635 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.570 8.409 -18.122 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.168 8.017 -14.693 1.00 0.00 N ATOM 1201 CA GLU A 74 0.015 8.669 -14.103 1.00 0.00 C ATOM 1202 C GLU A 74 1.131 7.673 -13.707 1.00 0.00 C ATOM 1203 O GLU A 74 2.238 8.086 -13.355 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.422 9.535 -12.909 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.291 10.739 -13.309 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.567 11.704 -14.261 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.520 12.210 -13.892 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.079 11.975 -15.372 1.00 0.00 O ATOM 0 H GLU A 74 -1.865 7.762 -13.993 1.00 0.00 H new ATOM 0 HA GLU A 74 0.459 9.304 -14.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.977 8.915 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.465 9.895 -12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.203 10.381 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.592 11.279 -12.411 1.00 0.00 H new ATOM 1215 N VAL A 75 0.862 6.366 -13.810 1.00 0.00 N ATOM 1216 CA VAL A 75 1.823 5.251 -13.711 1.00 0.00 C ATOM 1217 C VAL A 75 1.496 4.246 -14.825 1.00 0.00 C ATOM 1218 O VAL A 75 0.325 3.967 -15.077 1.00 0.00 O ATOM 1219 CB VAL A 75 1.757 4.544 -12.331 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.683 3.321 -12.263 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.208 5.442 -11.173 1.00 0.00 C ATOM 0 H VAL A 75 -0.088 6.034 -13.975 1.00 0.00 H new ATOM 0 HA VAL A 75 2.833 5.646 -13.819 1.00 0.00 H new ATOM 0 HB VAL A 75 0.707 4.270 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.603 2.859 -11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.391 2.601 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.713 3.634 -12.434 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.139 4.890 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.240 5.754 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.567 6.322 -11.124 1.00 0.00 H new ATOM 1231 N LYS A 76 2.517 3.685 -15.483 1.00 0.00 N ATOM 1232 CA LYS A 76 2.351 2.553 -16.408 1.00 0.00 C ATOM 1233 C LYS A 76 2.395 1.227 -15.632 1.00 0.00 C ATOM 1234 O LYS A 76 3.356 0.963 -14.907 1.00 0.00 O ATOM 1235 CB LYS A 76 3.443 2.572 -17.494 1.00 0.00 C ATOM 1236 CG LYS A 76 3.421 3.855 -18.344 1.00 0.00 C ATOM 1237 CD LYS A 76 4.376 3.789 -19.545 1.00 0.00 C ATOM 1238 CE LYS A 76 5.846 3.660 -19.118 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.759 3.647 -20.292 1.00 0.00 N ATOM 0 H LYS A 76 3.482 4.001 -15.391 1.00 0.00 H new ATOM 0 HA LYS A 76 1.381 2.645 -16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.420 2.472 -17.021 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.315 1.708 -18.146 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.406 4.031 -18.701 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.690 4.705 -17.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.107 2.940 -20.173 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.254 4.686 -20.152 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.109 4.489 -18.461 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.979 2.744 -18.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.743 3.559 -19.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.524 2.841 -20.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.650 4.532 -20.827 1.00 0.00 H new ATOM 1253 N SER A 77 1.399 0.360 -15.806 1.00 0.00 N ATOM 1254 CA SER A 77 1.307 -0.933 -15.103 1.00 0.00 C ATOM 1255 C SER A 77 2.557 -1.812 -15.277 1.00 0.00 C ATOM 1256 O SER A 77 2.992 -2.464 -14.326 1.00 0.00 O ATOM 1257 CB SER A 77 0.060 -1.691 -15.578 1.00 0.00 C ATOM 1258 OG SER A 77 0.025 -1.782 -16.998 1.00 0.00 O ATOM 0 H SER A 77 0.622 0.531 -16.444 1.00 0.00 H new ATOM 0 HA SER A 77 1.233 -0.710 -14.039 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.053 -2.692 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.836 -1.183 -15.221 1.00 0.00 H new ATOM 0 HG SER A 77 -0.778 -2.271 -17.275 1.00 0.00 H new ATOM 1264 N GLU A 78 3.208 -1.745 -16.446 1.00 0.00 N ATOM 1265 CA GLU A 78 4.418 -2.508 -16.783 1.00 0.00 C ATOM 1266 C GLU A 78 5.617 -2.208 -15.860 1.00 0.00 C ATOM 1267 O GLU A 78 6.538 -3.021 -15.764 1.00 0.00 O ATOM 1268 CB GLU A 78 4.814 -2.244 -18.246 1.00 0.00 C ATOM 1269 CG GLU A 78 3.723 -2.645 -19.249 1.00 0.00 C ATOM 1270 CD GLU A 78 4.222 -2.499 -20.694 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.132 -1.383 -21.260 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.702 -3.500 -21.278 1.00 0.00 O ATOM 0 H GLU A 78 2.898 -1.140 -17.207 1.00 0.00 H new ATOM 0 HA GLU A 78 4.167 -3.559 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.040 -1.185 -18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.727 -2.794 -18.473 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.419 -3.676 -19.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.841 -2.022 -19.101 1.00 0.00 H new ATOM 1279 N GLU A 79 5.598 -1.074 -15.148 1.00 0.00 N ATOM 1280 CA GLU A 79 6.634 -0.677 -14.188 1.00 0.00 C ATOM 1281 C GLU A 79 6.344 -1.145 -12.748 1.00 0.00 C ATOM 1282 O GLU A 79 7.249 -1.153 -11.914 1.00 0.00 O ATOM 1283 CB GLU A 79 6.762 0.855 -14.186 1.00 0.00 C ATOM 1284 CG GLU A 79 7.192 1.469 -15.527 1.00 0.00 C ATOM 1285 CD GLU A 79 8.579 0.988 -15.983 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.586 1.296 -15.302 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.676 0.327 -17.044 1.00 0.00 O ATOM 0 H GLU A 79 4.844 -0.392 -15.226 1.00 0.00 H new ATOM 0 HA GLU A 79 7.558 -1.158 -14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.803 1.285 -13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.484 1.144 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.456 1.217 -16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.200 2.555 -15.438 1.00 0.00 H new ATOM 1294 N VAL A 80 5.102 -1.535 -12.443 1.00 0.00 N ATOM 1295 CA VAL A 80 4.625 -1.785 -11.069 1.00 0.00 C ATOM 1296 C VAL A 80 5.137 -3.141 -10.541 1.00 0.00 C ATOM 1297 O VAL A 80 4.865 -4.165 -11.176 1.00 0.00 O ATOM 1298 CB VAL A 80 3.081 -1.720 -10.977 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.594 -1.953 -9.537 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.552 -0.354 -11.453 1.00 0.00 C ATOM 0 H VAL A 80 4.385 -1.690 -13.151 1.00 0.00 H new ATOM 0 HA VAL A 80 5.031 -0.992 -10.441 1.00 0.00 H new ATOM 0 HB VAL A 80 2.697 -2.509 -11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.506 -1.901 -9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.919 -2.936 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.012 -1.187 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.465 -0.338 -11.377 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.971 0.436 -10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.845 -0.191 -12.490 1.00 0.00 H new ATOM 1310 N PRO A 81 5.845 -3.183 -9.390 1.00 0.00 N ATOM 1311 CA PRO A 81 6.343 -4.420 -8.795 1.00 0.00 C ATOM 1312 C PRO A 81 5.244 -5.154 -8.013 1.00 0.00 C ATOM 1313 O PRO A 81 4.333 -4.540 -7.455 1.00 0.00 O ATOM 1314 CB PRO A 81 7.493 -3.988 -7.882 1.00 0.00 C ATOM 1315 CG PRO A 81 7.046 -2.611 -7.403 1.00 0.00 C ATOM 1316 CD PRO A 81 6.313 -2.038 -8.616 1.00 0.00 C ATOM 0 HA PRO A 81 6.675 -5.128 -9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.631 -4.680 -7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.440 -3.941 -8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.392 -2.680 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.894 -1.990 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.477 -1.411 -8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.977 -1.411 -9.211 1.00 0.00 H new ATOM 1324 N ALA A 82 5.356 -6.484 -7.954 1.00 0.00 N ATOM 1325 CA ALA A 82 4.439 -7.383 -7.247 1.00 0.00 C ATOM 1326 C ALA A 82 5.144 -8.689 -6.816 1.00 0.00 C ATOM 1327 O ALA A 82 6.240 -8.998 -7.289 1.00 0.00 O ATOM 1328 CB ALA A 82 3.227 -7.654 -8.155 1.00 0.00 C ATOM 0 H ALA A 82 6.117 -6.983 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 82 4.098 -6.910 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.533 -8.322 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.725 -6.713 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.563 -8.119 -9.082 1.00 0.00 H new ATOM 1334 N VAL A 83 4.501 -9.472 -5.943 1.00 0.00 N ATOM 1335 CA VAL A 83 5.013 -10.723 -5.361 1.00 0.00 C ATOM 1336 C VAL A 83 5.269 -11.867 -6.367 1.00 0.00 C ATOM 1337 O VAL A 83 5.941 -12.843 -6.032 1.00 0.00 O ATOM 1338 CB VAL A 83 4.038 -11.161 -4.242 1.00 0.00 C ATOM 1339 CG1 VAL A 83 2.818 -11.957 -4.737 1.00 0.00 C ATOM 1340 CG2 VAL A 83 4.782 -11.910 -3.143 1.00 0.00 C ATOM 0 H VAL A 83 3.566 -9.243 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 83 6.006 -10.511 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 83 3.625 -10.240 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.188 -12.223 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.245 -11.348 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.155 -12.865 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.078 -12.209 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.256 -12.797 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.544 -11.261 -2.712 1.00 0.00 H new ATOM 1350 N GLY A 84 4.753 -11.746 -7.598 1.00 0.00 N ATOM 1351 CA GLY A 84 4.858 -12.748 -8.666 1.00 0.00 C ATOM 1352 C GLY A 84 3.570 -13.559 -8.832 1.00 0.00 C ATOM 1353 O GLY A 84 2.961 -13.987 -7.849 1.00 0.00 O ATOM 0 H GLY A 84 4.233 -10.918 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.095 -12.250 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.684 -13.424 -8.447 1.00 0.00 H new ATOM 1357 N ILE A 85 3.154 -13.772 -10.083 1.00 0.00 N ATOM 1358 CA ILE A 85 1.913 -14.472 -10.472 1.00 0.00 C ATOM 1359 C ILE A 85 2.226 -15.482 -11.590 1.00 0.00 C ATOM 1360 O ILE A 85 2.931 -15.143 -12.543 1.00 0.00 O ATOM 1361 CB ILE A 85 0.828 -13.448 -10.913 1.00 0.00 C ATOM 1362 CG1 ILE A 85 0.567 -12.393 -9.807 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -0.479 -14.178 -11.296 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -0.510 -11.350 -10.138 1.00 0.00 C ATOM 0 H ILE A 85 3.689 -13.451 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 85 1.516 -15.018 -9.616 1.00 0.00 H new ATOM 0 HB ILE A 85 1.199 -12.920 -11.791 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.278 -12.912 -8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.501 -11.873 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.228 -13.447 -11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.284 -14.865 -12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.848 -14.738 -10.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.617 -10.659 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.219 -10.797 -11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.461 -11.853 -10.317 1.00 0.00 H new ATOM 1376 N VAL A 86 1.682 -16.701 -11.496 1.00 0.00 N ATOM 1377 CA VAL A 86 1.774 -17.758 -12.523 1.00 0.00 C ATOM 1378 C VAL A 86 0.373 -18.375 -12.710 1.00 0.00 C ATOM 1379 O VAL A 86 -0.110 -19.033 -11.784 1.00 0.00 O ATOM 1380 CB VAL A 86 2.811 -18.848 -12.144 1.00 0.00 C ATOM 1381 CG1 VAL A 86 2.891 -19.941 -13.227 1.00 0.00 C ATOM 1382 CG2 VAL A 86 4.222 -18.261 -11.948 1.00 0.00 C ATOM 0 H VAL A 86 1.147 -16.993 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 86 2.119 -17.316 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 86 2.467 -19.277 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.626 -20.691 -12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.915 -20.414 -13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.189 -19.493 -14.175 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.915 -19.060 -11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.550 -17.787 -12.873 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.200 -17.521 -11.148 1.00 0.00 H new ATOM 1392 N PRO A 87 -0.301 -18.159 -13.862 1.00 0.00 N ATOM 1393 CA PRO A 87 -1.630 -18.706 -14.133 1.00 0.00 C ATOM 1394 C PRO A 87 -1.657 -20.246 -14.124 1.00 0.00 C ATOM 1395 O PRO A 87 -0.690 -20.867 -14.576 1.00 0.00 O ATOM 1396 CB PRO A 87 -2.037 -18.161 -15.508 1.00 0.00 C ATOM 1397 CG PRO A 87 -1.232 -16.871 -15.629 1.00 0.00 C ATOM 1398 CD PRO A 87 0.071 -17.225 -14.917 1.00 0.00 C ATOM 0 HA PRO A 87 -2.325 -18.405 -13.349 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.794 -18.862 -16.306 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.109 -17.972 -15.564 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.063 -16.594 -16.670 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.738 -16.031 -15.154 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.785 -17.676 -15.606 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.546 -16.335 -14.504 1.00 0.00 H new ATOM 1406 N PRO A 88 -2.749 -20.878 -13.646 1.00 0.00 N ATOM 1407 CA PRO A 88 -2.892 -22.331 -13.636 1.00 0.00 C ATOM 1408 C PRO A 88 -3.082 -22.868 -15.070 1.00 0.00 C ATOM 1409 O PRO A 88 -3.929 -22.344 -15.799 1.00 0.00 O ATOM 1410 CB PRO A 88 -4.114 -22.613 -12.752 1.00 0.00 C ATOM 1411 CG PRO A 88 -4.963 -21.350 -12.898 1.00 0.00 C ATOM 1412 CD PRO A 88 -3.921 -20.247 -13.053 1.00 0.00 C ATOM 0 HA PRO A 88 -2.005 -22.831 -13.247 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.654 -23.499 -13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.827 -22.785 -11.715 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.622 -21.406 -13.764 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.596 -21.187 -12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.295 -19.444 -13.689 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.678 -19.802 -12.088 1.00 0.00 H new ATOM 1420 N PRO A 89 -2.337 -23.912 -15.491 1.00 0.00 N ATOM 1421 CA PRO A 89 -2.419 -24.460 -16.847 1.00 0.00 C ATOM 1422 C PRO A 89 -3.713 -25.253 -17.098 1.00 0.00 C ATOM 1423 O PRO A 89 -4.114 -25.428 -18.246 1.00 0.00 O ATOM 1424 CB PRO A 89 -1.175 -25.342 -16.997 1.00 0.00 C ATOM 1425 CG PRO A 89 -0.916 -25.827 -15.572 1.00 0.00 C ATOM 1426 CD PRO A 89 -1.319 -24.620 -14.725 1.00 0.00 C ATOM 0 HA PRO A 89 -2.449 -23.661 -17.588 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.351 -26.174 -17.679 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.328 -24.780 -17.391 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.511 -26.708 -15.330 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.129 -26.097 -15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.708 -24.935 -13.757 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.461 -23.977 -14.529 1.00 0.00 H new ATOM 1434 N SER A 90 -4.396 -25.698 -16.040 1.00 0.00 N ATOM 1435 CA SER A 90 -5.718 -26.345 -16.081 1.00 0.00 C ATOM 1436 C SER A 90 -6.893 -25.346 -15.978 1.00 0.00 C ATOM 1437 O SER A 90 -8.061 -25.748 -16.041 1.00 0.00 O ATOM 1438 CB SER A 90 -5.782 -27.384 -14.948 1.00 0.00 C ATOM 1439 OG SER A 90 -5.411 -26.817 -13.693 1.00 0.00 O ATOM 0 H SER A 90 -4.032 -25.616 -15.091 1.00 0.00 H new ATOM 0 HA SER A 90 -5.830 -26.825 -17.053 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.792 -27.788 -14.881 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.120 -28.218 -15.181 1.00 0.00 H new ATOM 0 HG SER A 90 -5.464 -27.503 -12.995 1.00 0.00 H new ATOM 1445 N GLY A 91 -6.602 -24.044 -15.837 1.00 0.00 N ATOM 1446 CA GLY A 91 -7.579 -22.965 -15.641 1.00 0.00 C ATOM 1447 C GLY A 91 -7.979 -22.759 -14.167 1.00 0.00 C ATOM 1448 O GLY A 91 -7.702 -23.622 -13.326 1.00 0.00 O ATOM 0 H GLY A 91 -5.641 -23.702 -15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.165 -22.035 -16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.473 -23.184 -16.225 1.00 0.00 H new ATOM 1452 N PRO A 92 -8.618 -21.618 -13.835 1.00 0.00 N ATOM 1453 CA PRO A 92 -9.013 -21.281 -12.471 1.00 0.00 C ATOM 1454 C PRO A 92 -10.156 -22.188 -11.995 1.00 0.00 C ATOM 1455 O PRO A 92 -11.136 -22.404 -12.706 1.00 0.00 O ATOM 1456 CB PRO A 92 -9.419 -19.803 -12.515 1.00 0.00 C ATOM 1457 CG PRO A 92 -9.886 -19.602 -13.957 1.00 0.00 C ATOM 1458 CD PRO A 92 -8.974 -20.539 -14.747 1.00 0.00 C ATOM 0 HA PRO A 92 -8.205 -21.436 -11.756 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.214 -19.584 -11.802 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.582 -19.150 -12.270 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.937 -19.863 -14.081 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.775 -18.566 -14.277 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.483 -20.926 -15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.085 -20.015 -15.097 1.00 0.00 H new ATOM 1466 N SER A 93 -10.025 -22.723 -10.779 1.00 0.00 N ATOM 1467 CA SER A 93 -10.942 -23.706 -10.176 1.00 0.00 C ATOM 1468 C SER A 93 -10.668 -23.898 -8.668 1.00 0.00 C ATOM 1469 O SER A 93 -9.623 -23.488 -8.151 1.00 0.00 O ATOM 1470 CB SER A 93 -10.861 -25.055 -10.922 1.00 0.00 C ATOM 1471 OG SER A 93 -9.545 -25.603 -10.937 1.00 0.00 O ATOM 0 H SER A 93 -9.251 -22.478 -10.161 1.00 0.00 H new ATOM 0 HA SER A 93 -11.954 -23.313 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.540 -25.766 -10.451 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.204 -24.918 -11.948 1.00 0.00 H new ATOM 0 HG SER A 93 -9.551 -26.456 -11.420 1.00 0.00 H new ATOM 1477 N SER A 94 -11.601 -24.521 -7.941 1.00 0.00 N ATOM 1478 CA SER A 94 -11.510 -24.792 -6.495 1.00 0.00 C ATOM 1479 C SER A 94 -12.505 -25.886 -6.049 1.00 0.00 C ATOM 1480 O SER A 94 -13.447 -26.224 -6.778 1.00 0.00 O ATOM 1481 CB SER A 94 -11.715 -23.496 -5.681 1.00 0.00 C ATOM 1482 OG SER A 94 -12.985 -22.893 -5.913 1.00 0.00 O ATOM 0 H SER A 94 -12.470 -24.863 -8.352 1.00 0.00 H new ATOM 0 HA SER A 94 -10.506 -25.169 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.613 -23.719 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.929 -22.785 -5.934 1.00 0.00 H new ATOM 0 HG SER A 94 -13.064 -22.079 -5.373 1.00 0.00 H new ATOM 1488 N GLY A 95 -12.293 -26.460 -4.854 1.00 0.00 N ATOM 1489 CA GLY A 95 -13.120 -27.531 -4.275 1.00 0.00 C ATOM 1490 C GLY A 95 -12.665 -27.944 -2.875 1.00 0.00 C ATOM 1491 O GLY A 95 -13.387 -27.638 -1.901 1.00 0.00 O ATOM 1492 OXT GLY A 95 -11.584 -28.563 -2.762 1.00 0.00 O ATOM 0 H GLY A 95 -11.521 -26.184 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.157 -27.199 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.092 -28.400 -4.932 1.00 0.00 H new TER 1496 GLY A 95