USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 623 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 86 THR OG1 : rot -116:sc= 0.847 USER MOD Set 1.2: A 122 LYS NZ :NH3+ -161:sc= 1.56 (180deg=0.704) USER MOD Set 2.1: A 81 TYR OH : rot 110:sc= -1.54 USER MOD Set 2.2: A 91 GLN :FLIP amide:sc= -2.98 F(o=-5.5!,f=-4.5) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 38:sc= 1.38 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.1) USER MOD Single : A 92 TYR OH : rot -96:sc= 0.701 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= -0.0305 (180deg=-0.0772) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -4.68! C(o=-6.7!,f=-4.7!) USER MOD Single : A 107 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -125:sc= 1.78 (180deg=-4.34!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.652) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.68 F(o=-8.3!,f=-1.7) USER MOD Single : A 118 HIS : no HE2:sc= -0.256 K(o=-0.26,f=-9.4!) USER MOD Single : A 121 LYS NZ :NH3+ -169:sc= 0.267 (180deg=0.084) USER MOD Single : A 123 GLN : amide:sc= -0.464 K(o=-0.46,f=-5.4!) USER MOD Single : A 126 HIS : no HE2:sc= -4.45! C(o=-4.5!,f=-7!) USER MOD Single : A 127 ASN :FLIP amide:sc= -4.1! C(o=-5.1!,f=-4.1!) USER MOD Single : A 133 THR OG1 : rot 35:sc= -5.03! USER MOD Single : A 137 MET CE :methyl -149:sc= -0.146 (180deg=-0.818) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot -71:sc= 0.216 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -87:sc= 0.331 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot -40:sc= 0.445 USER MOD Single : A 150 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 46.812 2.390 -0.994 1.00 0.00 N ATOM 2 CA GLY A 77 47.655 1.343 -1.557 1.00 0.00 C ATOM 3 C GLY A 77 47.145 0.890 -2.896 1.00 0.00 C ATOM 4 O GLY A 77 46.790 -0.285 -3.075 1.00 0.00 O ATOM 0 HA2 GLY A 77 48.676 1.712 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 77 47.690 0.495 -0.873 1.00 0.00 H new ATOM 10 N ALA A 78 47.088 1.811 -3.836 1.00 0.00 N ATOM 11 CA ALA A 78 46.637 1.524 -5.171 1.00 0.00 C ATOM 12 C ALA A 78 47.659 2.045 -6.146 1.00 0.00 C ATOM 13 O ALA A 78 48.060 3.224 -6.050 1.00 0.00 O ATOM 14 CB ALA A 78 45.284 2.167 -5.428 1.00 0.00 C ATOM 0 H ALA A 78 47.356 2.784 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 78 46.523 0.447 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 78 44.960 1.939 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 78 44.555 1.777 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 45.366 3.247 -5.308 1.00 0.00 H new ATOM 20 N MET A 79 48.093 1.170 -7.056 1.00 0.00 N ATOM 21 CA MET A 79 49.109 1.476 -8.079 1.00 0.00 C ATOM 22 C MET A 79 50.511 1.606 -7.423 1.00 0.00 C ATOM 23 O MET A 79 50.656 1.458 -6.206 1.00 0.00 O ATOM 24 CB MET A 79 48.719 2.765 -8.903 1.00 0.00 C ATOM 25 CG MET A 79 49.658 3.112 -10.059 1.00 0.00 C ATOM 26 SD MET A 79 49.278 4.662 -10.887 1.00 0.00 S ATOM 27 CE MET A 79 50.597 4.669 -12.106 1.00 0.00 C ATOM 0 H MET A 79 47.746 0.212 -7.108 1.00 0.00 H new ATOM 0 HA MET A 79 49.149 0.649 -8.788 1.00 0.00 H new ATOM 0 HB2 MET A 79 47.713 2.631 -9.302 1.00 0.00 H new ATOM 0 HB3 MET A 79 48.681 3.614 -8.221 1.00 0.00 H new ATOM 0 HG2 MET A 79 50.679 3.158 -9.680 1.00 0.00 H new ATOM 0 HG3 MET A 79 49.626 2.306 -10.792 1.00 0.00 H new ATOM 0 HE1 MET A 79 50.521 5.567 -12.719 1.00 0.00 H new ATOM 0 HE2 MET A 79 51.562 4.656 -11.598 1.00 0.00 H new ATOM 0 HE3 MET A 79 50.510 3.788 -12.742 1.00 0.00 H new ATOM 37 N SER A 80 51.521 1.767 -8.233 1.00 0.00 N ATOM 38 CA SER A 80 52.845 2.054 -7.787 1.00 0.00 C ATOM 39 C SER A 80 53.039 3.587 -7.743 1.00 0.00 C ATOM 40 O SER A 80 52.538 4.310 -8.619 1.00 0.00 O ATOM 41 CB SER A 80 53.804 1.444 -8.765 1.00 0.00 C ATOM 42 OG SER A 80 53.517 0.064 -8.950 1.00 0.00 O ATOM 0 H SER A 80 51.437 1.699 -9.247 1.00 0.00 H new ATOM 0 HA SER A 80 53.019 1.646 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 80 53.740 1.966 -9.720 1.00 0.00 H new ATOM 0 HB3 SER A 80 54.826 1.564 -8.404 1.00 0.00 H new ATOM 0 HG SER A 80 54.151 -0.319 -9.592 1.00 0.00 H new ATOM 48 N TYR A 81 53.743 4.066 -6.744 1.00 0.00 N ATOM 49 CA TYR A 81 53.969 5.503 -6.506 1.00 0.00 C ATOM 50 C TYR A 81 55.070 5.648 -5.498 1.00 0.00 C ATOM 51 O TYR A 81 55.632 4.671 -5.083 1.00 0.00 O ATOM 52 CB TYR A 81 52.684 6.185 -5.964 1.00 0.00 C ATOM 53 CG TYR A 81 52.043 5.428 -4.827 1.00 0.00 C ATOM 54 CD1 TYR A 81 51.159 4.431 -5.115 1.00 0.00 C ATOM 55 CD2 TYR A 81 52.344 5.676 -3.480 1.00 0.00 C ATOM 56 CE1 TYR A 81 50.581 3.695 -4.154 1.00 0.00 C ATOM 57 CE2 TYR A 81 51.759 4.922 -2.488 1.00 0.00 C ATOM 58 CZ TYR A 81 50.871 3.923 -2.850 1.00 0.00 C ATOM 59 OH TYR A 81 50.288 3.144 -1.914 1.00 0.00 O ATOM 0 H TYR A 81 54.191 3.468 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 81 54.239 5.983 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 81 52.929 7.193 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.964 6.286 -6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 81 50.917 4.228 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 81 53.038 6.462 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 81 49.881 2.917 -4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 81 51.988 5.106 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 81 50.962 2.557 -1.511 1.00 0.00 H new ATOM 69 N SER A 82 55.359 6.832 -5.105 1.00 0.00 N ATOM 70 CA SER A 82 56.344 7.065 -4.105 1.00 0.00 C ATOM 71 C SER A 82 55.614 7.529 -2.831 1.00 0.00 C ATOM 72 O SER A 82 54.483 8.049 -2.921 1.00 0.00 O ATOM 73 CB SER A 82 57.311 8.140 -4.607 1.00 0.00 C ATOM 74 OG SER A 82 58.338 8.451 -3.666 1.00 0.00 O ATOM 0 H SER A 82 54.918 7.677 -5.468 1.00 0.00 H new ATOM 0 HA SER A 82 56.917 6.164 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.768 7.803 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 82 56.750 9.046 -4.837 1.00 0.00 H new ATOM 0 HG SER A 82 58.629 7.630 -3.216 1.00 0.00 H new ATOM 80 N LEU A 83 56.229 7.351 -1.671 1.00 0.00 N ATOM 81 CA LEU A 83 55.598 7.724 -0.417 1.00 0.00 C ATOM 82 C LEU A 83 56.674 7.882 0.655 1.00 0.00 C ATOM 83 O LEU A 83 57.840 7.489 0.442 1.00 0.00 O ATOM 84 CB LEU A 83 54.659 6.590 0.029 1.00 0.00 C ATOM 85 CG LEU A 83 53.575 6.938 1.072 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.402 7.647 0.460 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.157 5.736 1.860 1.00 0.00 C ATOM 0 H LEU A 83 57.162 6.951 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 83 55.046 8.654 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.161 6.196 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.271 5.785 0.435 1.00 0.00 H new ATOM 0 HG LEU A 83 54.027 7.639 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 83 51.667 7.870 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 83 52.738 8.576 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 83 51.947 7.010 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.393 6.022 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.753 4.981 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.020 5.328 2.386 1.00 0.00 H new ATOM 99 N TYR A 84 56.293 8.466 1.771 1.00 0.00 N ATOM 100 CA TYR A 84 57.117 8.513 2.964 1.00 0.00 C ATOM 101 C TYR A 84 57.047 7.190 3.624 1.00 0.00 C ATOM 102 O TYR A 84 55.952 6.700 3.950 1.00 0.00 O ATOM 103 CB TYR A 84 56.631 9.596 3.920 1.00 0.00 C ATOM 104 CG TYR A 84 57.533 10.797 4.006 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.057 11.378 2.873 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.861 11.340 5.231 1.00 0.00 C ATOM 107 CE1 TYR A 84 58.893 12.476 2.956 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.694 12.433 5.333 1.00 0.00 C ATOM 109 CZ TYR A 84 59.210 12.998 4.191 1.00 0.00 C ATOM 110 OH TYR A 84 60.040 14.102 4.279 1.00 0.00 O ATOM 0 H TYR A 84 55.390 8.928 1.878 1.00 0.00 H new ATOM 0 HA TYR A 84 58.145 8.750 2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.640 9.923 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.524 9.164 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.811 10.969 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.456 10.899 6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.295 12.922 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 84 58.939 12.842 6.302 1.00 0.00 H new ATOM 0 HH TYR A 84 60.163 14.345 5.220 1.00 0.00 H new ATOM 120 N GLY A 85 58.198 6.595 3.802 1.00 0.00 N ATOM 121 CA GLY A 85 58.271 5.314 4.384 1.00 0.00 C ATOM 122 C GLY A 85 57.662 5.210 5.694 1.00 0.00 C ATOM 123 O GLY A 85 56.947 4.268 5.957 1.00 0.00 O ATOM 0 H GLY A 85 59.099 6.997 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.790 4.599 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.319 5.024 4.461 1.00 0.00 H new ATOM 127 N THR A 86 57.951 6.160 6.503 1.00 0.00 N ATOM 128 CA THR A 86 57.455 6.273 7.881 1.00 0.00 C ATOM 129 C THR A 86 55.913 6.003 7.973 1.00 0.00 C ATOM 130 O THR A 86 55.416 5.551 8.996 1.00 0.00 O ATOM 131 CB THR A 86 57.803 7.698 8.432 1.00 0.00 C ATOM 132 OG1 THR A 86 57.467 7.859 9.821 1.00 0.00 O ATOM 133 CG2 THR A 86 57.104 8.762 7.625 1.00 0.00 C ATOM 0 H THR A 86 58.566 6.930 6.240 1.00 0.00 H new ATOM 0 HA THR A 86 57.943 5.512 8.489 1.00 0.00 H new ATOM 0 HB THR A 86 58.884 7.806 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 86 56.773 8.545 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.357 9.745 8.022 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.423 8.698 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 86 56.026 8.614 7.684 1.00 0.00 H new ATOM 141 N THR A 87 55.185 6.257 6.888 1.00 0.00 N ATOM 142 CA THR A 87 53.770 6.069 6.867 1.00 0.00 C ATOM 143 C THR A 87 53.371 4.649 6.315 1.00 0.00 C ATOM 144 O THR A 87 52.282 4.206 6.525 1.00 0.00 O ATOM 145 CB THR A 87 53.133 7.161 5.994 1.00 0.00 C ATOM 146 OG1 THR A 87 53.911 8.369 6.095 1.00 0.00 O ATOM 147 CG2 THR A 87 51.735 7.465 6.483 1.00 0.00 C ATOM 0 H THR A 87 55.576 6.598 6.010 1.00 0.00 H new ATOM 0 HA THR A 87 53.404 6.136 7.891 1.00 0.00 H new ATOM 0 HB THR A 87 53.101 6.808 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 87 53.507 9.066 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 87 51.291 8.240 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 87 51.126 6.563 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 87 51.778 7.812 7.515 1.00 0.00 H new ATOM 155 N LEU A 88 54.281 3.960 5.635 1.00 0.00 N ATOM 156 CA LEU A 88 54.035 2.618 4.961 1.00 0.00 C ATOM 157 C LEU A 88 53.279 1.570 5.777 1.00 0.00 C ATOM 158 O LEU A 88 52.619 0.697 5.202 1.00 0.00 O ATOM 159 CB LEU A 88 55.347 2.025 4.525 1.00 0.00 C ATOM 160 CG LEU A 88 55.621 1.978 3.043 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.793 0.927 2.376 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.317 3.301 2.437 1.00 0.00 C ATOM 0 H LEU A 88 55.237 4.294 5.514 1.00 0.00 H new ATOM 0 HA LEU A 88 53.379 2.859 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.148 2.591 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.404 1.008 4.912 1.00 0.00 H new ATOM 0 HG LEU A 88 56.673 1.734 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.011 0.915 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.027 -0.047 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.736 1.146 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.516 3.265 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.268 3.545 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.944 4.065 2.897 1.00 0.00 H new ATOM 174 N GLU A 89 53.364 1.647 7.078 1.00 0.00 N ATOM 175 CA GLU A 89 52.679 0.709 7.954 1.00 0.00 C ATOM 176 C GLU A 89 51.147 0.757 7.761 1.00 0.00 C ATOM 177 O GLU A 89 50.446 -0.199 8.064 1.00 0.00 O ATOM 178 CB GLU A 89 53.053 0.990 9.395 1.00 0.00 C ATOM 179 CG GLU A 89 54.519 0.738 9.748 1.00 0.00 C ATOM 180 CD GLU A 89 54.839 1.251 11.129 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.641 0.514 12.110 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.253 2.419 11.259 1.00 0.00 O ATOM 0 H GLU A 89 53.907 2.357 7.569 1.00 0.00 H new ATOM 0 HA GLU A 89 53.000 -0.299 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.816 2.030 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.429 0.374 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.731 -0.330 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 89 55.162 1.227 9.017 1.00 0.00 H new ATOM 189 N GLN A 90 50.642 1.872 7.256 1.00 0.00 N ATOM 190 CA GLN A 90 49.200 2.025 6.993 1.00 0.00 C ATOM 191 C GLN A 90 48.846 1.623 5.614 1.00 0.00 C ATOM 192 O GLN A 90 47.759 1.130 5.337 1.00 0.00 O ATOM 193 CB GLN A 90 48.775 3.463 7.280 1.00 0.00 C ATOM 194 CG GLN A 90 49.488 4.639 6.564 1.00 0.00 C ATOM 195 CD GLN A 90 49.330 4.794 5.046 1.00 0.00 C ATOM 196 OE1 GLN A 90 48.305 4.477 4.473 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.419 5.217 4.402 1.00 0.00 N ATOM 0 H GLN A 90 51.201 2.691 7.016 1.00 0.00 H new ATOM 0 HA GLN A 90 48.656 1.357 7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 90 47.712 3.539 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.881 3.624 8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.142 5.563 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.554 4.556 6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.255 5.472 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.415 5.286 3.384 1.00 0.00 H new ATOM 206 N GLN A 91 49.794 1.819 4.793 1.00 0.00 N ATOM 207 CA GLN A 91 49.652 1.660 3.352 1.00 0.00 C ATOM 208 C GLN A 91 49.224 0.261 2.947 1.00 0.00 C ATOM 209 O GLN A 91 48.210 0.069 2.266 1.00 0.00 O ATOM 210 CB GLN A 91 50.937 2.025 2.614 1.00 0.00 C ATOM 211 CG GLN A 91 50.682 2.283 1.157 1.00 0.00 C ATOM 212 CD GLN A 91 49.704 3.428 0.986 1.00 0.00 C ATOM 213 OE1 GLN A 91 50.211 4.602 0.841 1.00 0.00 O flip ATOM 214 NE2 GLN A 91 48.494 3.233 0.961 1.00 0.00 N flip ATOM 0 H GLN A 91 50.730 2.104 5.082 1.00 0.00 H new ATOM 0 HA GLN A 91 48.860 2.351 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.380 2.911 3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.661 1.217 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.620 2.519 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 91 50.285 1.384 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 91 48.127 2.289 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 91 47.854 4.015 0.822 1.00 0.00 H new ATOM 223 N TYR A 92 50.000 -0.704 3.333 1.00 0.00 N ATOM 224 CA TYR A 92 49.719 -2.060 2.952 1.00 0.00 C ATOM 225 C TYR A 92 48.983 -2.806 3.995 1.00 0.00 C ATOM 226 O TYR A 92 48.389 -3.844 3.727 1.00 0.00 O ATOM 227 CB TYR A 92 50.987 -2.770 2.575 1.00 0.00 C ATOM 228 CG TYR A 92 51.486 -2.231 1.294 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.846 -2.548 0.117 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.517 -1.339 1.264 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.241 -1.990 -1.073 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.914 -0.756 0.092 1.00 0.00 C ATOM 233 CZ TYR A 92 52.273 -1.086 -1.080 1.00 0.00 C ATOM 234 OH TYR A 92 52.639 -0.484 -2.255 1.00 0.00 O ATOM 0 H TYR A 92 50.832 -0.582 3.910 1.00 0.00 H new ATOM 0 HA TYR A 92 49.063 -2.020 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.737 -2.638 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.805 -3.841 2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 92 50.022 -3.246 0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.029 -1.089 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.745 -2.260 -1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.724 -0.042 0.087 1.00 0.00 H new ATOM 0 HH TYR A 92 53.390 -0.973 -2.653 1.00 0.00 H new ATOM 244 N ASN A 93 49.059 -2.274 5.205 1.00 0.00 N ATOM 245 CA ASN A 93 48.508 -2.869 6.457 1.00 0.00 C ATOM 246 C ASN A 93 49.411 -4.006 6.903 1.00 0.00 C ATOM 247 O ASN A 93 49.246 -4.601 7.966 1.00 0.00 O ATOM 248 CB ASN A 93 47.029 -3.332 6.346 1.00 0.00 C ATOM 249 CG ASN A 93 46.080 -2.222 5.925 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.585 -1.463 6.749 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.787 -2.152 4.651 1.00 0.00 N ATOM 0 H ASN A 93 49.521 -1.380 5.370 1.00 0.00 H new ATOM 0 HA ASN A 93 48.493 -2.080 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 93 46.964 -4.148 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.707 -3.730 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 93 45.128 -1.449 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 93 46.218 -2.800 3.992 1.00 0.00 H new ATOM 258 N LYS A 94 50.347 -4.282 6.048 1.00 0.00 N ATOM 259 CA LYS A 94 51.406 -5.175 6.214 1.00 0.00 C ATOM 260 C LYS A 94 52.611 -4.239 6.120 1.00 0.00 C ATOM 261 O LYS A 94 52.855 -3.600 5.094 1.00 0.00 O ATOM 262 CB LYS A 94 51.303 -6.273 5.112 1.00 0.00 C ATOM 263 CG LYS A 94 52.026 -6.062 3.835 1.00 0.00 C ATOM 264 CD LYS A 94 53.363 -6.714 3.930 1.00 0.00 C ATOM 265 CE LYS A 94 53.349 -8.174 3.499 1.00 0.00 C ATOM 266 NZ LYS A 94 52.407 -9.044 4.237 1.00 0.00 N ATOM 0 H LYS A 94 50.372 -3.832 5.133 1.00 0.00 H new ATOM 0 HA LYS A 94 51.445 -5.747 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.657 -7.210 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 94 50.247 -6.409 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 94 51.458 -6.483 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.138 -4.996 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.073 -6.166 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 53.720 -6.648 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 94 53.104 -8.220 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.355 -8.578 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 52.508 -10.025 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 52.617 -8.998 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 51.433 -8.721 4.070 1.00 0.00 H new ATOM 280 N PRO A 95 53.253 -3.997 7.238 1.00 0.00 N ATOM 281 CA PRO A 95 54.278 -2.970 7.339 1.00 0.00 C ATOM 282 C PRO A 95 55.596 -3.390 6.746 1.00 0.00 C ATOM 283 O PRO A 95 55.738 -4.490 6.275 1.00 0.00 O ATOM 284 CB PRO A 95 54.419 -2.791 8.840 1.00 0.00 C ATOM 285 CG PRO A 95 54.134 -4.146 9.390 1.00 0.00 C ATOM 286 CD PRO A 95 53.058 -4.714 8.510 1.00 0.00 C ATOM 0 HA PRO A 95 54.003 -2.068 6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.419 -2.452 9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.718 -2.049 9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 95 55.026 -4.772 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.804 -4.088 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.166 -5.792 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.065 -4.539 8.923 1.00 0.00 H new ATOM 294 N LEU A 96 56.566 -2.507 6.821 1.00 0.00 N ATOM 295 CA LEU A 96 57.928 -2.762 6.380 1.00 0.00 C ATOM 296 C LEU A 96 58.471 -3.981 7.057 1.00 0.00 C ATOM 297 O LEU A 96 59.051 -4.819 6.420 1.00 0.00 O ATOM 298 CB LEU A 96 58.779 -1.560 6.688 1.00 0.00 C ATOM 299 CG LEU A 96 58.489 -0.349 5.856 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.589 0.560 6.570 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.749 0.330 5.468 1.00 0.00 C ATOM 0 H LEU A 96 56.432 -1.569 7.198 1.00 0.00 H new ATOM 0 HA LEU A 96 57.937 -2.941 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.648 -1.300 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.826 -1.831 6.555 1.00 0.00 H new ATOM 0 HG LEU A 96 57.987 -0.665 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.389 1.435 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.652 0.048 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 96 58.056 0.875 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.518 1.208 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.287 0.638 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.369 -0.356 4.890 1.00 0.00 H new ATOM 313 N SER A 97 58.189 -4.128 8.327 1.00 0.00 N ATOM 314 CA SER A 97 58.616 -5.284 9.095 1.00 0.00 C ATOM 315 C SER A 97 58.010 -6.612 8.554 1.00 0.00 C ATOM 316 O SER A 97 58.442 -7.699 8.929 1.00 0.00 O ATOM 317 CB SER A 97 58.229 -5.072 10.547 1.00 0.00 C ATOM 318 OG SER A 97 58.812 -3.868 11.043 1.00 0.00 O ATOM 0 H SER A 97 57.653 -3.448 8.866 1.00 0.00 H new ATOM 0 HA SER A 97 59.698 -5.379 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 97 57.144 -5.023 10.638 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.561 -5.919 11.147 1.00 0.00 H new ATOM 0 HG SER A 97 58.554 -3.741 11.980 1.00 0.00 H new ATOM 324 N ASP A 98 57.045 -6.508 7.657 1.00 0.00 N ATOM 325 CA ASP A 98 56.387 -7.672 7.097 1.00 0.00 C ATOM 326 C ASP A 98 56.525 -7.717 5.563 1.00 0.00 C ATOM 327 O ASP A 98 56.453 -8.779 4.955 1.00 0.00 O ATOM 328 CB ASP A 98 54.910 -7.626 7.471 1.00 0.00 C ATOM 329 CG ASP A 98 54.157 -8.884 7.125 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.714 -9.995 7.217 1.00 0.00 O ATOM 331 OD2 ASP A 98 52.988 -8.782 6.746 1.00 0.00 O ATOM 0 H ASP A 98 56.698 -5.618 7.299 1.00 0.00 H new ATOM 0 HA ASP A 98 56.860 -8.566 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.821 -7.443 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.442 -6.782 6.964 1.00 0.00 H new ATOM 336 N LEU A 99 56.768 -6.570 4.954 1.00 0.00 N ATOM 337 CA LEU A 99 56.752 -6.425 3.512 1.00 0.00 C ATOM 338 C LEU A 99 58.134 -6.737 2.957 1.00 0.00 C ATOM 339 O LEU A 99 59.155 -6.331 3.566 1.00 0.00 O ATOM 340 CB LEU A 99 56.355 -4.952 3.215 1.00 0.00 C ATOM 341 CG LEU A 99 56.083 -4.514 1.761 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.780 -5.068 1.267 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.078 -3.008 1.658 1.00 0.00 C ATOM 0 H LEU A 99 56.984 -5.706 5.452 1.00 0.00 H new ATOM 0 HA LEU A 99 56.045 -7.110 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.458 -4.733 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.150 -4.315 3.604 1.00 0.00 H new ATOM 0 HG LEU A 99 56.883 -4.910 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.613 -4.744 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.810 -6.157 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.968 -4.706 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.885 -2.715 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.299 -2.602 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.047 -2.619 1.971 1.00 0.00 H new ATOM 355 N LEU A 100 58.202 -7.520 1.874 1.00 0.00 N ATOM 356 CA LEU A 100 59.469 -7.732 1.229 1.00 0.00 C ATOM 357 C LEU A 100 59.787 -6.425 0.586 1.00 0.00 C ATOM 358 O LEU A 100 59.022 -5.881 -0.192 1.00 0.00 O ATOM 359 CB LEU A 100 59.460 -8.849 0.192 1.00 0.00 C ATOM 360 CG LEU A 100 60.837 -9.579 -0.096 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.721 -10.521 -1.263 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.994 -8.626 -0.352 1.00 0.00 C ATOM 0 H LEU A 100 57.409 -7.999 1.447 1.00 0.00 H new ATOM 0 HA LEU A 100 60.212 -8.053 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.739 -9.601 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.094 -8.435 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 100 61.059 -10.131 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.682 -11.006 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.966 -11.277 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.431 -9.963 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.902 -9.199 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.769 -8.005 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.141 -7.990 0.521 1.00 0.00 H new ATOM 374 N ILE A 101 60.862 -5.928 0.925 1.00 0.00 N ATOM 375 CA ILE A 101 61.213 -4.636 0.602 1.00 0.00 C ATOM 376 C ILE A 101 62.664 -4.657 0.172 1.00 0.00 C ATOM 377 O ILE A 101 63.425 -5.419 0.732 1.00 0.00 O ATOM 378 CB ILE A 101 60.958 -3.863 1.887 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.726 -3.012 1.738 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.158 -3.072 2.355 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.235 -2.394 2.970 1.00 0.00 C ATOM 0 H ILE A 101 61.568 -6.428 1.465 1.00 0.00 H new ATOM 0 HA ILE A 101 60.660 -4.178 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 101 60.779 -4.589 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.935 -2.224 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.930 -3.626 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.909 -2.544 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 101 62.991 -3.750 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.440 -2.351 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.345 -1.803 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.986 -3.171 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 101 60.007 -1.746 3.385 1.00 0.00 H new ATOM 393 N ARG A 102 63.045 -3.890 -0.837 1.00 0.00 N ATOM 394 CA ARG A 102 64.421 -3.970 -1.369 1.00 0.00 C ATOM 395 C ARG A 102 64.915 -2.644 -1.788 1.00 0.00 C ATOM 396 O ARG A 102 64.145 -1.770 -2.013 1.00 0.00 O ATOM 397 CB ARG A 102 64.484 -4.896 -2.593 1.00 0.00 C ATOM 398 CG ARG A 102 64.044 -6.312 -2.360 1.00 0.00 C ATOM 399 CD ARG A 102 63.801 -7.039 -3.655 1.00 0.00 C ATOM 400 NE ARG A 102 63.349 -8.410 -3.452 1.00 0.00 N ATOM 401 CZ ARG A 102 62.942 -9.219 -4.446 1.00 0.00 C ATOM 402 NH1 ARG A 102 62.924 -8.773 -5.703 1.00 0.00 N ATOM 403 NH2 ARG A 102 62.572 -10.470 -4.182 1.00 0.00 N ATOM 0 H ARG A 102 62.443 -3.213 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 102 65.042 -4.361 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.866 -4.468 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.509 -4.910 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.804 -6.839 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.132 -6.316 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.056 -6.497 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.720 -7.046 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 102 63.341 -8.777 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 102 63.219 -7.819 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 102 62.615 -9.386 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 102 62.597 -10.818 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 102 62.264 -11.081 -4.938 1.00 0.00 H new ATOM 417 N CYS A 103 66.229 -2.512 -1.853 1.00 0.00 N ATOM 418 CA CYS A 103 66.850 -1.374 -2.390 1.00 0.00 C ATOM 419 C CYS A 103 66.366 -1.157 -3.852 1.00 0.00 C ATOM 420 O CYS A 103 65.965 -2.108 -4.532 1.00 0.00 O ATOM 421 CB CYS A 103 68.331 -1.549 -2.398 1.00 0.00 C ATOM 422 SG CYS A 103 69.165 0.036 -2.121 1.00 0.00 S ATOM 0 H CYS A 103 66.882 -3.221 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 103 66.589 -0.513 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.622 -2.259 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.647 -1.970 -3.352 1.00 0.00 H new ATOM 427 N ILE A 104 66.406 0.043 -4.322 1.00 0.00 N ATOM 428 CA ILE A 104 65.915 0.354 -5.637 1.00 0.00 C ATOM 429 C ILE A 104 66.991 0.242 -6.668 1.00 0.00 C ATOM 430 O ILE A 104 66.814 -0.317 -7.747 1.00 0.00 O ATOM 431 CB ILE A 104 65.205 1.736 -5.662 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.384 1.867 -6.906 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.169 2.882 -5.569 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.368 2.914 -6.787 1.00 0.00 C ATOM 0 H ILE A 104 66.779 0.843 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 104 65.162 -0.390 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 104 64.562 1.780 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.037 2.091 -7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.899 0.915 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.619 3.823 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.730 2.811 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.860 2.846 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.796 2.973 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.697 2.678 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.853 3.872 -6.598 1.00 0.00 H new ATOM 446 N ASN A 105 68.110 0.697 -6.284 1.00 0.00 N ATOM 447 CA ASN A 105 69.289 0.687 -7.080 1.00 0.00 C ATOM 448 C ASN A 105 69.940 -0.636 -6.918 1.00 0.00 C ATOM 449 O ASN A 105 70.390 -1.201 -7.891 1.00 0.00 O ATOM 450 CB ASN A 105 70.266 1.798 -6.630 1.00 0.00 C ATOM 451 CG ASN A 105 69.788 2.458 -5.438 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.913 1.754 -4.407 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.215 3.539 -5.457 1.00 0.00 N flip ATOM 0 H ASN A 105 68.250 1.110 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 105 69.026 0.868 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.250 1.367 -6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.386 2.528 -7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.146 4.065 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 105 68.806 3.914 -4.601 1.00 0.00 H new ATOM 460 N CYS A 106 69.922 -1.217 -5.686 1.00 0.00 N ATOM 461 CA CYS A 106 70.668 -2.434 -5.551 1.00 0.00 C ATOM 462 C CYS A 106 69.828 -3.714 -5.505 1.00 0.00 C ATOM 463 O CYS A 106 70.378 -4.825 -5.576 1.00 0.00 O ATOM 464 CB CYS A 106 71.841 -2.413 -4.531 1.00 0.00 C ATOM 465 SG CYS A 106 71.476 -2.486 -2.745 1.00 0.00 S ATOM 0 H CYS A 106 69.435 -0.877 -4.857 1.00 0.00 H new ATOM 0 HA CYS A 106 71.179 -2.477 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 106 72.494 -3.254 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 106 72.415 -1.504 -4.711 1.00 0.00 H new ATOM 470 N GLN A 107 68.495 -3.558 -5.358 1.00 0.00 N ATOM 471 CA GLN A 107 67.526 -4.653 -5.365 1.00 0.00 C ATOM 472 C GLN A 107 67.652 -5.625 -4.211 1.00 0.00 C ATOM 473 O GLN A 107 66.966 -6.641 -4.149 1.00 0.00 O ATOM 474 CB GLN A 107 67.534 -5.364 -6.654 1.00 0.00 C ATOM 475 CG GLN A 107 66.882 -4.591 -7.741 1.00 0.00 C ATOM 476 CD GLN A 107 67.855 -4.230 -8.819 1.00 0.00 C ATOM 477 OE1 GLN A 107 68.081 -4.987 -9.759 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.400 -3.065 -8.722 1.00 0.00 N ATOM 0 H GLN A 107 68.062 -2.643 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 107 66.559 -4.169 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.564 -5.583 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 107 67.025 -6.321 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 107 66.067 -5.177 -8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.441 -3.683 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 107 68.185 -2.466 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 107 69.046 -2.742 -9.443 1.00 0.00 H new ATOM 487 N LYS A 108 68.499 -5.295 -3.312 1.00 0.00 N ATOM 488 CA LYS A 108 68.728 -6.046 -2.126 1.00 0.00 C ATOM 489 C LYS A 108 67.617 -5.800 -1.151 1.00 0.00 C ATOM 490 O LYS A 108 67.315 -4.674 -0.864 1.00 0.00 O ATOM 491 CB LYS A 108 69.984 -5.537 -1.529 1.00 0.00 C ATOM 492 CG LYS A 108 70.234 -6.044 -0.152 1.00 0.00 C ATOM 493 CD LYS A 108 71.203 -5.182 0.540 1.00 0.00 C ATOM 494 CE LYS A 108 70.587 -3.870 0.925 1.00 0.00 C ATOM 495 NZ LYS A 108 71.623 -2.992 1.452 1.00 0.00 N ATOM 0 H LYS A 108 69.080 -4.459 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 108 68.784 -7.111 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.821 -5.817 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.951 -4.448 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.299 -6.074 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.612 -7.065 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.572 -5.689 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 108 72.063 -5.007 -0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 108 70.110 -3.411 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.809 -4.025 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 71.349 -2.661 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.521 -3.513 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.739 -2.174 0.820 1.00 0.00 H new ATOM 509 N PRO A 109 67.018 -6.834 -0.638 1.00 0.00 N ATOM 510 CA PRO A 109 65.975 -6.707 0.340 1.00 0.00 C ATOM 511 C PRO A 109 66.471 -6.085 1.659 1.00 0.00 C ATOM 512 O PRO A 109 67.326 -6.638 2.349 1.00 0.00 O ATOM 513 CB PRO A 109 65.439 -8.113 0.535 1.00 0.00 C ATOM 514 CG PRO A 109 66.212 -8.993 -0.401 1.00 0.00 C ATOM 515 CD PRO A 109 67.324 -8.209 -0.975 1.00 0.00 C ATOM 0 HA PRO A 109 65.197 -6.023 0.000 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.566 -8.438 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.372 -8.156 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.597 -9.863 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.563 -9.365 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.282 -8.515 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.390 -8.347 -2.054 1.00 0.00 H new ATOM 523 N LEU A 110 65.895 -4.957 1.987 1.00 0.00 N ATOM 524 CA LEU A 110 66.281 -4.144 3.125 1.00 0.00 C ATOM 525 C LEU A 110 65.592 -4.623 4.339 1.00 0.00 C ATOM 526 O LEU A 110 64.389 -4.898 4.328 1.00 0.00 O ATOM 527 CB LEU A 110 65.911 -2.689 2.857 1.00 0.00 C ATOM 528 CG LEU A 110 66.281 -2.157 1.496 1.00 0.00 C ATOM 529 CD1 LEU A 110 66.022 -0.679 1.409 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.703 -2.461 1.214 1.00 0.00 C ATOM 0 H LEU A 110 65.119 -4.561 1.456 1.00 0.00 H new ATOM 0 HA LEU A 110 67.358 -4.220 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.835 -2.577 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.391 -2.067 3.612 1.00 0.00 H new ATOM 0 HG LEU A 110 65.659 -2.645 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.297 -0.319 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.964 -0.484 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.617 -0.161 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.969 -2.076 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.332 -1.991 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.855 -3.540 1.235 1.00 0.00 H new ATOM 542 N SER A 111 66.341 -4.753 5.362 1.00 0.00 N ATOM 543 CA SER A 111 65.838 -5.188 6.626 1.00 0.00 C ATOM 544 C SER A 111 65.440 -3.918 7.419 1.00 0.00 C ATOM 545 O SER A 111 65.617 -2.812 6.876 1.00 0.00 O ATOM 546 CB SER A 111 66.923 -6.050 7.300 1.00 0.00 C ATOM 547 OG SER A 111 67.306 -7.133 6.439 1.00 0.00 O ATOM 0 H SER A 111 67.342 -4.559 5.357 1.00 0.00 H new ATOM 0 HA SER A 111 64.950 -5.816 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 111 67.793 -5.436 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.549 -6.443 8.246 1.00 0.00 H new ATOM 0 HG SER A 111 67.997 -7.672 6.878 1.00 0.00 H new ATOM 553 N PRO A 112 64.869 -4.012 8.674 1.00 0.00 N ATOM 554 CA PRO A 112 64.425 -2.821 9.458 1.00 0.00 C ATOM 555 C PRO A 112 65.484 -1.723 9.502 1.00 0.00 C ATOM 556 O PRO A 112 65.163 -0.549 9.502 1.00 0.00 O ATOM 557 CB PRO A 112 64.175 -3.391 10.850 1.00 0.00 C ATOM 558 CG PRO A 112 63.756 -4.790 10.582 1.00 0.00 C ATOM 559 CD PRO A 112 64.607 -5.257 9.436 1.00 0.00 C ATOM 0 HA PRO A 112 63.550 -2.343 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.073 -3.352 11.467 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.401 -2.834 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 112 63.904 -5.418 11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.697 -4.840 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.532 -5.718 9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.090 -5.999 8.828 1.00 0.00 H new ATOM 567 N GLU A 113 66.727 -2.141 9.463 1.00 0.00 N ATOM 568 CA GLU A 113 67.887 -1.264 9.409 1.00 0.00 C ATOM 569 C GLU A 113 67.790 -0.233 8.256 1.00 0.00 C ATOM 570 O GLU A 113 67.966 0.966 8.472 1.00 0.00 O ATOM 571 CB GLU A 113 69.149 -2.125 9.246 1.00 0.00 C ATOM 572 CG GLU A 113 69.073 -3.103 8.072 1.00 0.00 C ATOM 573 CD GLU A 113 70.245 -4.018 7.983 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.384 -3.547 7.874 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.036 -5.241 8.022 1.00 0.00 O ATOM 0 H GLU A 113 66.973 -3.131 9.468 1.00 0.00 H new ATOM 0 HA GLU A 113 67.931 -0.695 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.010 -1.471 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.318 -2.686 10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.164 -3.698 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 113 68.992 -2.538 7.143 1.00 0.00 H new ATOM 582 N GLU A 114 67.461 -0.701 7.061 1.00 0.00 N ATOM 583 CA GLU A 114 67.432 0.124 5.889 1.00 0.00 C ATOM 584 C GLU A 114 66.017 0.615 5.609 1.00 0.00 C ATOM 585 O GLU A 114 65.791 1.493 4.819 1.00 0.00 O ATOM 586 CB GLU A 114 68.025 -0.702 4.791 1.00 0.00 C ATOM 587 CG GLU A 114 69.493 -0.940 5.008 1.00 0.00 C ATOM 588 CD GLU A 114 70.013 -2.207 4.400 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.315 -3.232 4.437 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.178 -2.209 3.931 1.00 0.00 O ATOM 0 H GLU A 114 67.207 -1.674 6.889 1.00 0.00 H new ATOM 0 HA GLU A 114 68.014 1.039 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.505 -1.658 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.875 -0.200 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 114 70.050 -0.099 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.691 -0.958 6.080 1.00 0.00 H new ATOM 597 N LYS A 115 65.086 0.036 6.304 1.00 0.00 N ATOM 598 CA LYS A 115 63.692 0.470 6.313 1.00 0.00 C ATOM 599 C LYS A 115 63.559 1.686 7.169 1.00 0.00 C ATOM 600 O LYS A 115 62.819 2.598 6.855 1.00 0.00 O ATOM 601 CB LYS A 115 62.879 -0.642 6.892 1.00 0.00 C ATOM 602 CG LYS A 115 62.641 -1.773 5.920 1.00 0.00 C ATOM 603 CD LYS A 115 62.062 -3.031 6.559 1.00 0.00 C ATOM 604 CE LYS A 115 61.753 -4.023 5.485 1.00 0.00 C ATOM 605 NZ LYS A 115 61.566 -5.399 5.982 1.00 0.00 N ATOM 0 H LYS A 115 65.262 -0.772 6.900 1.00 0.00 H new ATOM 0 HA LYS A 115 63.353 0.710 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.385 -1.031 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.918 -0.247 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.963 -1.430 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.584 -2.026 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.773 -3.454 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.159 -2.788 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.849 -3.709 4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.562 -4.017 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.841 -6.076 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.158 -5.547 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.567 -5.545 6.231 1.00 0.00 H new ATOM 619 N GLN A 116 64.319 1.719 8.245 1.00 0.00 N ATOM 620 CA GLN A 116 64.320 2.840 9.165 1.00 0.00 C ATOM 621 C GLN A 116 64.942 4.035 8.551 1.00 0.00 C ATOM 622 O GLN A 116 64.801 5.110 9.023 1.00 0.00 O ATOM 623 CB GLN A 116 64.986 2.475 10.468 1.00 0.00 C ATOM 624 CG GLN A 116 64.022 2.325 11.666 1.00 0.00 C ATOM 625 CD GLN A 116 62.949 1.211 11.536 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.538 0.887 10.336 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.519 0.644 12.533 1.00 0.00 N flip ATOM 0 H GLN A 116 64.956 0.967 8.507 1.00 0.00 H new ATOM 0 HA GLN A 116 63.283 3.090 9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.526 1.538 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.726 3.238 10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.613 2.131 12.561 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.513 3.277 11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.854 0.914 13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.826 -0.098 12.438 1.00 0.00 H new ATOM 636 N ARG A 117 65.554 3.830 7.462 1.00 0.00 N ATOM 637 CA ARG A 117 66.097 4.883 6.683 1.00 0.00 C ATOM 638 C ARG A 117 64.932 5.713 6.145 1.00 0.00 C ATOM 639 O ARG A 117 64.928 6.942 6.172 1.00 0.00 O ATOM 640 CB ARG A 117 66.882 4.244 5.552 1.00 0.00 C ATOM 641 CG ARG A 117 68.366 4.236 5.739 1.00 0.00 C ATOM 642 CD ARG A 117 68.885 5.623 5.549 1.00 0.00 C ATOM 643 NE ARG A 117 70.221 5.836 6.148 1.00 0.00 N ATOM 644 CZ ARG A 117 71.101 6.769 5.754 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.076 7.216 4.508 1.00 0.00 N ATOM 646 NH2 ARG A 117 72.088 7.126 6.556 1.00 0.00 N ATOM 0 H ARG A 117 65.702 2.902 7.066 1.00 0.00 H new ATOM 0 HA ARG A 117 66.756 5.534 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 117 66.541 3.216 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.650 4.770 4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 117 68.618 3.872 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.832 3.558 5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 117 68.934 5.842 4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.181 6.330 5.988 1.00 0.00 H new ATOM 0 HE ARG A 117 70.494 5.227 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.388 6.851 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 117 71.744 7.925 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 117 72.181 6.692 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.757 7.835 6.257 1.00 0.00 H new ATOM 660 N HIS A 118 63.917 5.007 5.773 1.00 0.00 N ATOM 661 CA HIS A 118 62.737 5.561 5.193 1.00 0.00 C ATOM 662 C HIS A 118 61.701 5.885 6.251 1.00 0.00 C ATOM 663 O HIS A 118 60.735 6.590 5.995 1.00 0.00 O ATOM 664 CB HIS A 118 62.206 4.567 4.187 1.00 0.00 C ATOM 665 CG HIS A 118 63.230 4.300 3.094 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.691 5.276 2.250 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.970 3.209 2.812 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.683 4.766 1.526 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.878 3.512 1.821 1.00 0.00 N ATOM 0 H HIS A 118 63.884 3.992 5.867 1.00 0.00 H new ATOM 0 HA HIS A 118 62.972 6.503 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.954 3.634 4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.286 4.949 3.744 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.335 6.230 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.867 2.246 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.251 5.318 0.792 1.00 0.00 H new ATOM 677 N LEU A 119 61.889 5.345 7.433 1.00 0.00 N ATOM 678 CA LEU A 119 60.972 5.588 8.532 1.00 0.00 C ATOM 679 C LEU A 119 61.484 6.688 9.443 1.00 0.00 C ATOM 680 O LEU A 119 60.777 7.634 9.736 1.00 0.00 O ATOM 681 CB LEU A 119 60.705 4.322 9.328 1.00 0.00 C ATOM 682 CG LEU A 119 60.380 3.063 8.523 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.800 1.989 9.393 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.460 3.360 7.397 1.00 0.00 C ATOM 0 H LEU A 119 62.671 4.731 7.663 1.00 0.00 H new ATOM 0 HA LEU A 119 60.029 5.916 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.580 4.116 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.875 4.516 10.008 1.00 0.00 H new ATOM 0 HG LEU A 119 61.321 2.699 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.581 1.109 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.516 1.725 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.881 2.351 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 119 59.251 2.443 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.528 3.770 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.924 4.086 6.729 1.00 0.00 H new ATOM 696 N ASP A 120 62.709 6.538 9.896 1.00 0.00 N ATOM 697 CA ASP A 120 63.389 7.547 10.746 1.00 0.00 C ATOM 698 C ASP A 120 63.636 8.830 9.991 1.00 0.00 C ATOM 699 O ASP A 120 63.152 9.902 10.359 1.00 0.00 O ATOM 700 CB ASP A 120 64.743 7.019 11.201 1.00 0.00 C ATOM 701 CG ASP A 120 65.549 8.024 12.001 1.00 0.00 C ATOM 702 OD1 ASP A 120 65.281 8.185 13.211 1.00 0.00 O ATOM 703 OD2 ASP A 120 66.488 8.653 11.441 1.00 0.00 O ATOM 0 H ASP A 120 63.281 5.718 9.696 1.00 0.00 H new ATOM 0 HA ASP A 120 62.736 7.741 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.590 6.125 11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 120 65.319 6.718 10.326 1.00 0.00 H new ATOM 708 N LYS A 121 64.389 8.710 8.914 1.00 0.00 N ATOM 709 CA LYS A 121 64.781 9.866 8.120 1.00 0.00 C ATOM 710 C LYS A 121 63.695 10.191 7.146 1.00 0.00 C ATOM 711 O LYS A 121 63.693 11.251 6.509 1.00 0.00 O ATOM 712 CB LYS A 121 66.093 9.591 7.419 1.00 0.00 C ATOM 713 CG LYS A 121 67.086 8.987 8.362 1.00 0.00 C ATOM 714 CD LYS A 121 68.465 8.895 7.803 1.00 0.00 C ATOM 715 CE LYS A 121 69.319 8.075 8.740 1.00 0.00 C ATOM 716 NZ LYS A 121 69.270 8.571 10.149 1.00 0.00 N ATOM 0 H LYS A 121 64.745 7.820 8.565 1.00 0.00 H new ATOM 0 HA LYS A 121 64.927 10.729 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.927 8.917 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.492 10.519 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.113 9.580 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.749 7.988 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.441 8.435 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.889 9.891 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.987 7.037 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.351 8.089 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.008 8.098 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.431 9.598 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.337 8.362 10.558 1.00 0.00 H new ATOM 730 N LYS A 122 62.779 9.235 7.028 1.00 0.00 N ATOM 731 CA LYS A 122 61.538 9.359 6.288 1.00 0.00 C ATOM 732 C LYS A 122 61.779 9.585 4.807 1.00 0.00 C ATOM 733 O LYS A 122 60.970 10.188 4.117 1.00 0.00 O ATOM 734 CB LYS A 122 60.683 10.448 6.922 1.00 0.00 C ATOM 735 CG LYS A 122 60.537 10.268 8.410 1.00 0.00 C ATOM 736 CD LYS A 122 59.629 11.271 9.056 1.00 0.00 C ATOM 737 CE LYS A 122 59.604 11.060 10.564 1.00 0.00 C ATOM 738 NZ LYS A 122 59.220 9.674 10.947 1.00 0.00 N ATOM 0 H LYS A 122 62.890 8.319 7.464 1.00 0.00 H new ATOM 0 HA LYS A 122 60.991 8.418 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.129 11.421 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.696 10.447 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 122 60.156 9.266 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.522 10.333 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.969 12.281 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.622 11.175 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 122 60.588 11.286 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.903 11.763 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 58.908 9.662 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 58.445 9.347 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 60.039 9.043 10.834 1.00 0.00 H new ATOM 752 N GLN A 123 62.872 9.024 4.333 1.00 0.00 N ATOM 753 CA GLN A 123 63.282 9.127 2.943 1.00 0.00 C ATOM 754 C GLN A 123 62.243 8.484 2.038 1.00 0.00 C ATOM 755 O GLN A 123 61.733 7.393 2.341 1.00 0.00 O ATOM 756 CB GLN A 123 64.630 8.425 2.761 1.00 0.00 C ATOM 757 CG GLN A 123 65.723 8.995 3.632 1.00 0.00 C ATOM 758 CD GLN A 123 67.004 8.211 3.612 1.00 0.00 C ATOM 759 OE1 GLN A 123 67.011 7.013 3.412 1.00 0.00 O ATOM 760 NE2 GLN A 123 68.100 8.886 3.859 1.00 0.00 N ATOM 0 H GLN A 123 63.511 8.475 4.908 1.00 0.00 H new ATOM 0 HA GLN A 123 63.376 10.179 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.513 7.365 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.932 8.499 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.931 10.016 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.361 9.050 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 123 68.054 9.892 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 123 68.999 8.405 3.888 1.00 0.00 H new ATOM 769 N ARG A 124 61.926 9.147 0.953 1.00 0.00 N ATOM 770 CA ARG A 124 60.982 8.622 0.004 1.00 0.00 C ATOM 771 C ARG A 124 61.578 7.494 -0.800 1.00 0.00 C ATOM 772 O ARG A 124 62.788 7.465 -1.083 1.00 0.00 O ATOM 773 CB ARG A 124 60.408 9.712 -0.914 1.00 0.00 C ATOM 774 CG ARG A 124 59.422 10.629 -0.213 1.00 0.00 C ATOM 775 CD ARG A 124 58.894 11.743 -1.113 1.00 0.00 C ATOM 776 NE ARG A 124 58.234 11.250 -2.340 1.00 0.00 N ATOM 777 CZ ARG A 124 57.060 11.713 -2.830 1.00 0.00 C ATOM 778 NH1 ARG A 124 56.316 12.558 -2.116 1.00 0.00 N ATOM 779 NH2 ARG A 124 56.640 11.315 -4.024 1.00 0.00 N ATOM 0 H ARG A 124 62.313 10.058 0.706 1.00 0.00 H new ATOM 0 HA ARG A 124 60.149 8.221 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 124 61.228 10.309 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 124 59.914 9.239 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 124 58.583 10.038 0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 124 59.904 11.072 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 124 58.186 12.350 -0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 124 59.721 12.396 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 124 58.699 10.504 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 124 56.630 12.860 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 124 55.433 12.903 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 124 57.201 10.662 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 124 55.756 11.662 -4.395 1.00 0.00 H new ATOM 793 N PHE A 125 60.742 6.562 -1.103 1.00 0.00 N ATOM 794 CA PHE A 125 61.055 5.406 -1.907 1.00 0.00 C ATOM 795 C PHE A 125 59.882 5.149 -2.814 1.00 0.00 C ATOM 796 O PHE A 125 58.972 5.974 -2.879 1.00 0.00 O ATOM 797 CB PHE A 125 61.334 4.157 -1.022 1.00 0.00 C ATOM 798 CG PHE A 125 60.341 3.898 0.093 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.053 4.375 0.038 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.699 3.172 1.199 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.190 4.137 1.017 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.801 2.950 2.185 1.00 0.00 C ATOM 803 CZ PHE A 125 58.576 3.424 2.089 1.00 0.00 C ATOM 0 H PHE A 125 59.772 6.575 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 125 61.959 5.596 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.363 3.279 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.325 4.262 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.738 4.954 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.700 2.776 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.180 4.515 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.090 2.381 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.870 3.237 2.885 1.00 0.00 H new ATOM 813 N HIS A 126 59.865 4.033 -3.453 1.00 0.00 N ATOM 814 CA HIS A 126 58.782 3.687 -4.301 1.00 0.00 C ATOM 815 C HIS A 126 57.913 2.643 -3.554 1.00 0.00 C ATOM 816 O HIS A 126 58.415 1.937 -2.721 1.00 0.00 O ATOM 817 CB HIS A 126 59.349 3.114 -5.597 1.00 0.00 C ATOM 818 CG HIS A 126 58.358 3.078 -6.684 1.00 0.00 C ATOM 819 ND1 HIS A 126 58.510 3.710 -7.883 1.00 0.00 N ATOM 820 CD2 HIS A 126 57.164 2.495 -6.715 1.00 0.00 C ATOM 821 CE1 HIS A 126 57.418 3.506 -8.588 1.00 0.00 C ATOM 822 NE2 HIS A 126 56.559 2.759 -7.925 1.00 0.00 N ATOM 0 H HIS A 126 60.605 3.332 -3.402 1.00 0.00 H new ATOM 0 HA HIS A 126 58.165 4.551 -4.549 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.204 3.713 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.717 2.105 -5.413 1.00 0.00 H new ATOM 0 HD1 HIS A 126 59.325 4.246 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 126 56.735 1.907 -5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 126 57.248 3.899 -9.579 1.00 0.00 H new ATOM 830 N ASN A 127 56.613 2.634 -3.806 1.00 0.00 N ATOM 831 CA ASN A 127 55.636 1.672 -3.239 1.00 0.00 C ATOM 832 C ASN A 127 55.112 0.786 -4.321 1.00 0.00 C ATOM 833 O ASN A 127 54.520 1.266 -5.284 1.00 0.00 O ATOM 834 CB ASN A 127 54.457 2.399 -2.586 1.00 0.00 C ATOM 835 CG ASN A 127 54.779 2.939 -1.227 1.00 0.00 C ATOM 836 OD1 ASN A 127 56.039 3.126 -0.962 1.00 0.00 O flip ATOM 837 ND2 ASN A 127 53.900 3.132 -0.401 1.00 0.00 N flip ATOM 0 H ASN A 127 56.178 3.313 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 127 56.151 1.082 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.142 3.219 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.614 1.713 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 127 52.923 2.973 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 127 54.143 3.452 0.537 1.00 0.00 H new ATOM 844 N ILE A 128 55.346 -0.495 -4.182 1.00 0.00 N ATOM 845 CA ILE A 128 54.970 -1.461 -5.173 1.00 0.00 C ATOM 846 C ILE A 128 53.916 -2.379 -4.556 1.00 0.00 C ATOM 847 O ILE A 128 53.886 -2.548 -3.342 1.00 0.00 O ATOM 848 CB ILE A 128 56.247 -2.263 -5.691 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.268 -1.279 -6.295 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.871 -3.314 -6.729 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.118 -0.515 -5.339 1.00 0.00 C ATOM 0 H ILE A 128 55.809 -0.897 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 128 54.545 -0.971 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 128 56.687 -2.779 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.925 -1.839 -6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.725 -0.563 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.768 -3.839 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.174 -4.027 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.401 -2.829 -7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.791 0.139 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.483 0.085 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.703 -1.210 -4.736 1.00 0.00 H new ATOM 863 N ARG A 129 53.041 -2.925 -5.343 1.00 0.00 N ATOM 864 CA ARG A 129 51.974 -3.737 -4.810 1.00 0.00 C ATOM 865 C ARG A 129 52.535 -5.069 -4.306 1.00 0.00 C ATOM 866 O ARG A 129 52.844 -5.965 -5.082 1.00 0.00 O ATOM 867 CB ARG A 129 50.893 -3.936 -5.882 1.00 0.00 C ATOM 868 CG ARG A 129 49.485 -4.265 -5.393 1.00 0.00 C ATOM 869 CD ARG A 129 49.428 -5.563 -4.665 1.00 0.00 C ATOM 870 NE ARG A 129 48.106 -5.819 -4.086 1.00 0.00 N ATOM 871 CZ ARG A 129 47.688 -6.976 -3.569 1.00 0.00 C ATOM 872 NH1 ARG A 129 48.462 -8.052 -3.613 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.482 -7.055 -3.027 1.00 0.00 N ATOM 0 H ARG A 129 53.039 -2.827 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 129 51.512 -3.234 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 129 50.840 -3.028 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 129 51.217 -4.738 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.135 -3.468 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 129 48.806 -4.299 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.685 -6.372 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 129 50.176 -5.565 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 129 47.445 -5.042 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 129 49.385 -7.999 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 129 48.135 -8.932 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.877 -6.234 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 129 46.158 -7.937 -2.631 1.00 0.00 H new ATOM 887 N GLY A 130 52.728 -5.148 -3.012 1.00 0.00 N ATOM 888 CA GLY A 130 53.172 -6.369 -2.405 1.00 0.00 C ATOM 889 C GLY A 130 54.600 -6.294 -1.920 1.00 0.00 C ATOM 890 O GLY A 130 55.015 -7.105 -1.094 1.00 0.00 O ATOM 0 H GLY A 130 52.583 -4.376 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.520 -6.611 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.079 -7.182 -3.125 1.00 0.00 H new ATOM 894 N ARG A 131 55.367 -5.378 -2.465 1.00 0.00 N ATOM 895 CA ARG A 131 56.766 -5.194 -2.064 1.00 0.00 C ATOM 896 C ARG A 131 57.162 -3.767 -2.326 1.00 0.00 C ATOM 897 O ARG A 131 56.367 -3.020 -2.812 1.00 0.00 O ATOM 898 CB ARG A 131 57.659 -6.067 -2.925 1.00 0.00 C ATOM 899 CG ARG A 131 57.607 -5.694 -4.397 1.00 0.00 C ATOM 900 CD ARG A 131 58.991 -5.576 -4.964 1.00 0.00 C ATOM 901 NE ARG A 131 58.990 -5.341 -6.411 1.00 0.00 N ATOM 902 CZ ARG A 131 59.988 -4.769 -7.105 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.082 -4.332 -6.477 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.889 -4.639 -8.421 1.00 0.00 N ATOM 0 H ARG A 131 55.053 -4.738 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 131 56.872 -5.451 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.687 -5.987 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.362 -7.109 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.046 -6.448 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.077 -4.749 -4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.514 -4.759 -4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.547 -6.488 -4.748 1.00 0.00 H new ATOM 0 HE ARG A 131 58.165 -5.636 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.163 -4.432 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 131 61.837 -3.899 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 131 59.056 -4.973 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 131 60.646 -4.205 -8.949 1.00 0.00 H new ATOM 918 N TRP A 132 58.372 -3.364 -2.006 1.00 0.00 N ATOM 919 CA TRP A 132 58.836 -2.174 -2.631 1.00 0.00 C ATOM 920 C TRP A 132 60.306 -2.153 -3.000 1.00 0.00 C ATOM 921 O TRP A 132 60.997 -3.177 -2.927 1.00 0.00 O ATOM 922 CB TRP A 132 58.370 -0.894 -1.984 1.00 0.00 C ATOM 923 CG TRP A 132 58.738 -0.530 -0.631 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.924 -0.156 0.304 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.067 -0.415 -0.097 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.626 0.176 1.419 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.975 0.012 1.168 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.284 -0.662 -0.586 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.133 0.205 1.979 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.392 -0.494 0.151 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.326 -0.060 1.415 1.00 0.00 C ATOM 0 H TRP A 132 59.011 -3.820 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 132 58.322 -2.214 -3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.702 -0.080 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.281 -0.905 -2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.849 -0.114 0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.222 0.495 2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.379 -1.007 -1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.056 0.548 3.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.356 -0.713 -0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.233 0.078 1.985 1.00 0.00 H new ATOM 942 N THR A 133 60.777 -0.966 -3.412 1.00 0.00 N ATOM 943 CA THR A 133 62.105 -0.731 -3.750 1.00 0.00 C ATOM 944 C THR A 133 62.465 0.722 -3.163 1.00 0.00 C ATOM 945 O THR A 133 61.745 1.715 -3.377 1.00 0.00 O ATOM 946 CB THR A 133 62.212 -0.868 -5.276 1.00 0.00 C ATOM 947 OG1 THR A 133 63.512 -0.960 -5.732 1.00 0.00 O ATOM 948 CG2 THR A 133 61.432 0.192 -5.970 1.00 0.00 C ATOM 0 H THR A 133 60.185 -0.141 -3.507 1.00 0.00 H new ATOM 0 HA THR A 133 62.825 -1.434 -3.331 1.00 0.00 H new ATOM 0 HB THR A 133 61.759 -1.826 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.054 -1.450 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.528 0.067 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.382 0.115 -5.688 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.814 1.172 -5.683 1.00 0.00 H new ATOM 956 N GLY A 134 63.498 0.745 -2.335 1.00 0.00 N ATOM 957 CA GLY A 134 63.917 1.884 -1.526 1.00 0.00 C ATOM 958 C GLY A 134 65.352 2.226 -1.740 1.00 0.00 C ATOM 959 O GLY A 134 65.860 2.021 -2.772 1.00 0.00 O ATOM 0 H GLY A 134 64.098 -0.069 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.299 2.748 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.751 1.660 -0.472 1.00 0.00 H new ATOM 963 N ARG A 135 66.006 2.735 -0.781 1.00 0.00 N ATOM 964 CA ARG A 135 67.429 2.941 -0.893 1.00 0.00 C ATOM 965 C ARG A 135 68.026 2.549 0.388 1.00 0.00 C ATOM 966 O ARG A 135 67.791 3.210 1.394 1.00 0.00 O ATOM 967 CB ARG A 135 67.864 4.394 -1.195 1.00 0.00 C ATOM 968 CG ARG A 135 67.564 4.962 -2.570 1.00 0.00 C ATOM 969 CD ARG A 135 66.138 5.432 -2.723 1.00 0.00 C ATOM 970 NE ARG A 135 65.946 6.042 -4.034 1.00 0.00 N ATOM 971 CZ ARG A 135 64.920 6.788 -4.416 1.00 0.00 C ATOM 972 NH1 ARG A 135 63.951 7.106 -3.571 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.889 7.243 -5.646 1.00 0.00 N ATOM 0 H ARG A 135 65.598 3.027 0.107 1.00 0.00 H new ATOM 0 HA ARG A 135 67.764 2.346 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.393 5.043 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.940 4.459 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.237 5.796 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.772 4.202 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.455 4.591 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 135 65.899 6.152 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 135 66.676 5.877 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 135 63.986 6.775 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 135 63.169 7.682 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 135 65.647 7.021 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 135 64.107 7.819 -5.957 1.00 0.00 H new ATOM 987 N CYS A 136 68.762 1.462 0.395 1.00 0.00 N ATOM 988 CA CYS A 136 69.419 1.060 1.607 1.00 0.00 C ATOM 989 C CYS A 136 70.423 2.124 2.056 1.00 0.00 C ATOM 990 O CYS A 136 70.656 3.051 1.358 1.00 0.00 O ATOM 991 CB CYS A 136 70.130 -0.251 1.425 1.00 0.00 C ATOM 992 SG CYS A 136 71.698 -0.241 0.497 1.00 0.00 S ATOM 0 H CYS A 136 68.917 0.854 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 136 68.653 0.943 2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.328 -0.666 2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.447 -0.936 0.923 1.00 0.00 H new ATOM 997 N MET A 137 71.067 1.913 3.169 1.00 0.00 N ATOM 998 CA MET A 137 72.006 2.902 3.764 1.00 0.00 C ATOM 999 C MET A 137 73.048 3.332 2.778 1.00 0.00 C ATOM 1000 O MET A 137 73.273 4.507 2.585 1.00 0.00 O ATOM 1001 CB MET A 137 72.673 2.310 4.990 1.00 0.00 C ATOM 1002 CG MET A 137 71.702 1.898 6.056 1.00 0.00 C ATOM 1003 SD MET A 137 72.469 0.974 7.404 1.00 0.00 S ATOM 1004 CE MET A 137 72.952 -0.518 6.527 1.00 0.00 C ATOM 0 H MET A 137 70.975 1.055 3.714 1.00 0.00 H new ATOM 0 HA MET A 137 71.428 3.781 4.050 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.262 1.443 4.691 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.368 3.040 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.221 2.788 6.463 1.00 0.00 H new ATOM 0 HG3 MET A 137 70.918 1.288 5.607 1.00 0.00 H new ATOM 0 HE1 MET A 137 72.920 -1.367 7.209 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.265 -0.692 5.699 1.00 0.00 H new ATOM 0 HE3 MET A 137 73.964 -0.401 6.140 1.00 0.00 H new ATOM 1014 N SER A 138 73.604 2.391 2.126 1.00 0.00 N ATOM 1015 CA SER A 138 74.635 2.642 1.141 1.00 0.00 C ATOM 1016 C SER A 138 74.103 3.498 -0.038 1.00 0.00 C ATOM 1017 O SER A 138 74.791 4.410 -0.532 1.00 0.00 O ATOM 1018 CB SER A 138 75.163 1.307 0.643 1.00 0.00 C ATOM 1019 OG SER A 138 75.564 0.499 1.752 1.00 0.00 O ATOM 0 H SER A 138 73.371 1.405 2.245 1.00 0.00 H new ATOM 0 HA SER A 138 75.441 3.211 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.393 0.793 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.008 1.467 -0.026 1.00 0.00 H new ATOM 0 HG SER A 138 75.902 -0.361 1.425 1.00 0.00 H new ATOM 1025 N CYS A 139 72.865 3.259 -0.423 1.00 0.00 N ATOM 1026 CA CYS A 139 72.296 3.871 -1.534 1.00 0.00 C ATOM 1027 C CYS A 139 71.504 5.144 -1.187 1.00 0.00 C ATOM 1028 O CYS A 139 71.416 6.055 -1.971 1.00 0.00 O ATOM 1029 CB CYS A 139 71.475 2.846 -2.210 1.00 0.00 C ATOM 1030 SG CYS A 139 72.385 1.392 -2.835 1.00 0.00 S ATOM 0 H CYS A 139 72.240 2.614 0.061 1.00 0.00 H new ATOM 0 HA CYS A 139 73.076 4.233 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.710 2.502 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 139 70.957 3.315 -3.046 1.00 0.00 H new ATOM 1035 N SER A 140 70.961 5.199 -0.018 1.00 0.00 N ATOM 1036 CA SER A 140 70.250 6.345 0.437 1.00 0.00 C ATOM 1037 C SER A 140 71.250 7.470 0.688 1.00 0.00 C ATOM 1038 O SER A 140 70.920 8.658 0.620 1.00 0.00 O ATOM 1039 CB SER A 140 69.466 5.960 1.683 1.00 0.00 C ATOM 1040 OG SER A 140 70.304 5.380 2.644 1.00 0.00 O ATOM 0 H SER A 140 70.999 4.437 0.659 1.00 0.00 H new ATOM 0 HA SER A 140 69.536 6.703 -0.304 1.00 0.00 H new ATOM 0 HB2 SER A 140 68.984 6.844 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.673 5.261 1.417 1.00 0.00 H new ATOM 0 HG SER A 140 70.573 4.486 2.347 1.00 0.00 H new ATOM 1046 N ARG A 141 72.486 7.068 0.971 1.00 0.00 N ATOM 1047 CA ARG A 141 73.584 7.976 1.060 1.00 0.00 C ATOM 1048 C ARG A 141 74.028 8.346 -0.351 1.00 0.00 C ATOM 1049 O ARG A 141 73.990 9.513 -0.743 1.00 0.00 O ATOM 1050 CB ARG A 141 74.744 7.354 1.842 1.00 0.00 C ATOM 1051 CG ARG A 141 74.474 7.163 3.326 1.00 0.00 C ATOM 1052 CD ARG A 141 75.643 6.480 4.017 1.00 0.00 C ATOM 1053 NE ARG A 141 75.489 6.477 5.474 1.00 0.00 N ATOM 1054 CZ ARG A 141 75.939 5.532 6.310 1.00 0.00 C ATOM 1055 NH1 ARG A 141 76.518 4.417 5.840 1.00 0.00 N ATOM 1056 NH2 ARG A 141 75.809 5.703 7.622 1.00 0.00 N ATOM 0 H ARG A 141 72.737 6.094 1.143 1.00 0.00 H new ATOM 0 HA ARG A 141 73.270 8.873 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 141 74.984 6.386 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.625 7.985 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 141 74.289 8.131 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.571 6.567 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 141 75.728 5.454 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 141 76.570 6.988 3.751 1.00 0.00 H new ATOM 0 HE ARG A 141 74.994 7.266 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 141 76.620 4.280 4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 141 76.856 3.706 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 141 75.369 6.549 7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 141 76.149 4.988 8.266 1.00 0.00 H new ATOM 1070 N SER A 142 74.396 7.359 -1.138 1.00 0.00 N ATOM 1071 CA SER A 142 74.856 7.619 -2.475 1.00 0.00 C ATOM 1072 C SER A 142 74.272 6.664 -3.537 1.00 0.00 C ATOM 1073 O SER A 142 74.827 5.609 -3.809 1.00 0.00 O ATOM 1074 CB SER A 142 76.392 7.651 -2.504 1.00 0.00 C ATOM 1075 OG SER A 142 76.946 6.549 -1.780 1.00 0.00 O ATOM 0 H SER A 142 74.384 6.374 -0.872 1.00 0.00 H new ATOM 0 HA SER A 142 74.476 8.601 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 142 76.740 7.623 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 142 76.747 8.587 -2.074 1.00 0.00 H new ATOM 0 HG SER A 142 77.924 6.593 -1.816 1.00 0.00 H new ATOM 1081 N SER A 143 73.107 7.000 -4.045 1.00 0.00 N ATOM 1082 CA SER A 143 72.505 6.285 -5.160 1.00 0.00 C ATOM 1083 C SER A 143 72.708 7.084 -6.429 1.00 0.00 C ATOM 1084 O SER A 143 73.211 6.596 -7.436 1.00 0.00 O ATOM 1085 CB SER A 143 71.019 6.081 -4.890 1.00 0.00 C ATOM 1086 OG SER A 143 70.432 7.283 -4.376 1.00 0.00 O ATOM 0 H SER A 143 72.545 7.778 -3.699 1.00 0.00 H new ATOM 0 HA SER A 143 72.976 5.309 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 143 70.513 5.787 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 143 70.881 5.268 -4.177 1.00 0.00 H new ATOM 0 HG SER A 143 70.529 7.303 -3.401 1.00 0.00 H new ATOM 1092 N ARG A 144 72.371 8.354 -6.319 1.00 0.00 N ATOM 1093 CA ARG A 144 72.448 9.318 -7.400 1.00 0.00 C ATOM 1094 C ARG A 144 73.894 9.565 -7.797 1.00 0.00 C ATOM 1095 O ARG A 144 74.192 9.905 -8.930 1.00 0.00 O ATOM 1096 CB ARG A 144 71.785 10.612 -6.941 1.00 0.00 C ATOM 1097 CG ARG A 144 70.342 10.405 -6.506 1.00 0.00 C ATOM 1098 CD ARG A 144 69.764 11.624 -5.823 1.00 0.00 C ATOM 1099 NE ARG A 144 69.695 12.790 -6.700 1.00 0.00 N ATOM 1100 CZ ARG A 144 69.613 14.054 -6.279 1.00 0.00 C ATOM 1101 NH1 ARG A 144 69.570 14.323 -4.974 1.00 0.00 N ATOM 1102 NH2 ARG A 144 69.565 15.049 -7.164 1.00 0.00 N ATOM 0 H ARG A 144 72.025 8.756 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 144 71.930 8.931 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 144 72.354 11.034 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 144 71.816 11.340 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 144 69.735 10.158 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG A 144 70.289 9.553 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 144 68.763 11.390 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 144 70.371 11.867 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 144 69.711 12.627 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 144 69.600 13.562 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 144 69.507 15.290 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 144 69.591 14.845 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 144 69.502 16.015 -6.842 1.00 0.00 H new ATOM 1116 N THR A 145 74.780 9.375 -6.856 1.00 0.00 N ATOM 1117 CA THR A 145 76.192 9.546 -7.090 1.00 0.00 C ATOM 1118 C THR A 145 76.824 8.199 -7.529 1.00 0.00 C ATOM 1119 O THR A 145 78.028 8.093 -7.754 1.00 0.00 O ATOM 1120 CB THR A 145 76.858 10.026 -5.794 1.00 0.00 C ATOM 1121 OG1 THR A 145 75.987 10.984 -5.156 1.00 0.00 O ATOM 1122 CG2 THR A 145 78.186 10.701 -6.090 1.00 0.00 C ATOM 0 H THR A 145 74.544 9.097 -5.903 1.00 0.00 H new ATOM 0 HA THR A 145 76.343 10.282 -7.880 1.00 0.00 H new ATOM 0 HB THR A 145 77.034 9.166 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 145 76.400 11.298 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 145 78.641 11.034 -5.157 1.00 0.00 H new ATOM 0 HG22 THR A 145 78.851 9.994 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 145 78.020 11.561 -6.740 1.00 0.00 H new ATOM 1130 N ARG A 146 76.010 7.184 -7.652 1.00 0.00 N ATOM 1131 CA ARG A 146 76.490 5.881 -8.025 1.00 0.00 C ATOM 1132 C ARG A 146 75.807 5.389 -9.270 1.00 0.00 C ATOM 1133 O ARG A 146 75.045 6.129 -9.911 1.00 0.00 O ATOM 1134 CB ARG A 146 76.333 4.876 -6.879 1.00 0.00 C ATOM 1135 CG ARG A 146 77.335 5.050 -5.745 1.00 0.00 C ATOM 1136 CD ARG A 146 78.764 4.950 -6.261 1.00 0.00 C ATOM 1137 NE ARG A 146 78.977 3.720 -7.034 1.00 0.00 N ATOM 1138 CZ ARG A 146 79.666 3.647 -8.184 1.00 0.00 C ATOM 1139 NH1 ARG A 146 80.300 4.713 -8.660 1.00 0.00 N ATOM 1140 NH2 ARG A 146 79.708 2.510 -8.854 1.00 0.00 N ATOM 0 H ARG A 146 75.003 7.237 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 146 77.555 5.973 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 146 75.325 4.962 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 146 76.430 3.868 -7.281 1.00 0.00 H new ATOM 0 HG2 ARG A 146 77.184 6.018 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 146 77.165 4.288 -4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 146 78.987 5.815 -6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 146 79.457 4.976 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 146 78.572 2.857 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 146 80.266 5.596 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 146 80.821 4.648 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 146 79.218 1.690 -8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 146 80.231 2.452 -9.728 1.00 0.00 H new ATOM 1154 N ARG A 147 76.092 4.168 -9.634 1.00 0.00 N ATOM 1155 CA ARG A 147 75.511 3.581 -10.789 1.00 0.00 C ATOM 1156 C ARG A 147 74.167 3.070 -10.383 1.00 0.00 C ATOM 1157 O ARG A 147 74.037 2.325 -9.427 1.00 0.00 O ATOM 1158 CB ARG A 147 76.389 2.471 -11.271 1.00 0.00 C ATOM 1159 CG ARG A 147 76.454 2.247 -12.776 1.00 0.00 C ATOM 1160 CD ARG A 147 75.158 1.772 -13.398 1.00 0.00 C ATOM 1161 NE ARG A 147 75.368 1.481 -14.818 1.00 0.00 N ATOM 1162 CZ ARG A 147 74.569 1.837 -15.850 1.00 0.00 C ATOM 1163 NH1 ARG A 147 73.501 2.612 -15.655 1.00 0.00 N ATOM 1164 NH2 ARG A 147 74.888 1.457 -17.082 1.00 0.00 N ATOM 0 H ARG A 147 76.736 3.559 -9.130 1.00 0.00 H new ATOM 0 HA ARG A 147 75.408 4.298 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 147 77.401 2.659 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 147 76.052 1.545 -10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 147 76.752 3.179 -13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 147 77.233 1.515 -12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 147 74.802 0.880 -12.883 1.00 0.00 H new ATOM 0 HD3 ARG A 147 74.388 2.535 -13.283 1.00 0.00 H new ATOM 0 HE ARG A 147 76.208 0.953 -15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 147 73.277 2.945 -14.717 1.00 0.00 H new ATOM 0 HH12 ARG A 147 72.908 2.872 -16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 147 75.729 0.902 -17.243 1.00 0.00 H new ATOM 0 HH22 ARG A 147 74.292 1.720 -17.867 1.00 0.00 H new ATOM 1178 N GLU A 148 73.221 3.399 -11.171 1.00 0.00 N ATOM 1179 CA GLU A 148 71.789 3.218 -10.884 1.00 0.00 C ATOM 1180 C GLU A 148 71.403 1.725 -10.837 1.00 0.00 C ATOM 1181 O GLU A 148 70.317 1.360 -10.395 1.00 0.00 O ATOM 1182 CB GLU A 148 71.000 3.916 -11.993 1.00 0.00 C ATOM 1183 CG GLU A 148 69.580 4.323 -11.649 1.00 0.00 C ATOM 1184 CD GLU A 148 69.538 5.456 -10.658 1.00 0.00 C ATOM 1185 OE1 GLU A 148 70.211 6.486 -10.887 1.00 0.00 O ATOM 1186 OE2 GLU A 148 68.798 5.380 -9.673 1.00 0.00 O ATOM 0 H GLU A 148 73.393 3.823 -12.083 1.00 0.00 H new ATOM 0 HA GLU A 148 71.562 3.645 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 148 71.549 4.808 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 148 70.967 3.254 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 148 69.058 4.619 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 148 69.047 3.465 -11.240 1.00 0.00 H new ATOM 1193 N THR A 149 72.303 0.881 -11.284 1.00 0.00 N ATOM 1194 CA THR A 149 72.037 -0.529 -11.390 1.00 0.00 C ATOM 1195 C THR A 149 73.345 -1.318 -11.245 1.00 0.00 C ATOM 1196 O THR A 149 73.447 -2.475 -11.652 1.00 0.00 O ATOM 1197 CB THR A 149 71.348 -0.786 -12.750 1.00 0.00 C ATOM 1198 OG1 THR A 149 70.954 -2.156 -12.918 1.00 0.00 O ATOM 1199 CG2 THR A 149 72.249 -0.351 -13.898 1.00 0.00 C ATOM 0 H THR A 149 73.239 1.155 -11.584 1.00 0.00 H new ATOM 0 HA THR A 149 71.374 -0.865 -10.593 1.00 0.00 H new ATOM 0 HB THR A 149 70.438 -0.186 -12.760 1.00 0.00 H new ATOM 0 HG1 THR A 149 71.650 -2.743 -12.555 1.00 0.00 H new ATOM 0 HG21 THR A 149 71.746 -0.540 -14.847 1.00 0.00 H new ATOM 0 HG22 THR A 149 72.465 0.714 -13.808 1.00 0.00 H new ATOM 0 HG23 THR A 149 73.181 -0.915 -13.863 1.00 0.00 H new ATOM 1207 N GLN A 150 74.301 -0.672 -10.579 1.00 0.00 N ATOM 1208 CA GLN A 150 75.634 -1.238 -10.277 1.00 0.00 C ATOM 1209 C GLN A 150 76.244 -1.965 -11.466 1.00 0.00 C ATOM 1210 O GLN A 150 76.402 -3.187 -11.460 1.00 0.00 O ATOM 1211 CB GLN A 150 75.619 -2.169 -9.055 1.00 0.00 C ATOM 1212 CG GLN A 150 75.188 -1.530 -7.737 1.00 0.00 C ATOM 1213 CD GLN A 150 73.711 -1.221 -7.622 1.00 0.00 C ATOM 1214 OE1 GLN A 150 73.316 -0.278 -6.932 1.00 0.00 O ATOM 1215 NE2 GLN A 150 72.896 -1.976 -8.292 1.00 0.00 N ATOM 0 H GLN A 150 74.178 0.276 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 150 76.260 -0.377 -10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 150 74.952 -3.005 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 150 76.619 -2.584 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 150 75.468 -2.196 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 150 75.748 -0.605 -7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.259 -2.747 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 150 71.892 -1.798 -8.259 1.00 0.00 H new ATOM 1224 N LEU A 151 76.550 -1.237 -12.476 1.00 0.00 N ATOM 1225 CA LEU A 151 77.075 -1.793 -13.672 1.00 0.00 C ATOM 1226 C LEU A 151 78.086 -0.796 -14.147 1.00 0.00 C ATOM 1227 O LEU A 151 79.251 -0.871 -13.725 1.00 0.00 O ATOM 1228 CB LEU A 151 75.913 -1.996 -14.696 1.00 0.00 C ATOM 1229 CG LEU A 151 76.149 -2.911 -15.929 1.00 0.00 C ATOM 1230 CD1 LEU A 151 74.836 -3.143 -16.651 1.00 0.00 C ATOM 1231 CD2 LEU A 151 77.157 -2.323 -16.905 1.00 0.00 C ATOM 1232 OXT LEU A 151 77.701 0.136 -14.843 1.00 0.00 O ATOM 0 H LEU A 151 76.442 -0.223 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 151 77.537 -2.771 -13.535 1.00 0.00 H new ATOM 0 HB2 LEU A 151 75.058 -2.394 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 151 75.625 -1.012 -15.066 1.00 0.00 H new ATOM 0 HG LEU A 151 76.555 -3.852 -15.558 1.00 0.00 H new ATOM 0 HD11 LEU A 151 75.005 -3.785 -17.515 1.00 0.00 H new ATOM 0 HD12 LEU A 151 74.129 -3.623 -15.975 1.00 0.00 H new ATOM 0 HD13 LEU A 151 74.429 -2.188 -16.983 1.00 0.00 H new ATOM 0 HD21 LEU A 151 77.285 -3.002 -17.748 1.00 0.00 H new ATOM 0 HD22 LEU A 151 76.795 -1.360 -17.266 1.00 0.00 H new ATOM 0 HD23 LEU A 151 78.114 -2.185 -16.401 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.357 -0.367 -1.794 1.00 0.00 ZN