USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 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 96 SER OG : rot 180:sc= -1.05 USER MOD Set 1.2: A 97 HIS : no HE2:sc= -1.01 K(o=-2.1,f=2.1) USER MOD Set 2.1: A 91 SER OG : rot -50:sc= 0.936 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -6.03! C(o=-5.1!,f=-6.6!) USER MOD Set 3.1: A 25 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.6) USER MOD Set 3.2: A 37 MET CE :methyl -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.0835 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= -0.181 (180deg=-0.856) USER MOD Single : A 7 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -76:sc= 0.906 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -0:sc= 0.504 USER MOD Single : A 23 ASN : amide:sc= 1.05 K(o=1.1,f=-0.00083) USER MOD Single : A 24 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 28 ASN : amide:sc= -3.91 X(o=-3.9,f=-4.1!) USER MOD Single : A 33 SER OG : rot 156:sc= -0.143 USER MOD Single : A 39 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.98) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -0.752 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.7!) USER MOD Single : A 57 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.42 (180deg=-1.63!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 75 ASN : amide:sc= 0.275 X(o=0.28,f=-0.16) USER MOD Single : A 76 THR OG1 : rot 61:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= 0.538 K(o=0.54,f=-0.5) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= -0.437 (180deg=-1.38!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.195 18.267 -14.623 1.00 0.00 N ATOM 2 CA SER A 1 -3.742 18.543 -13.234 1.00 0.00 C ATOM 3 C SER A 1 -4.913 18.943 -12.341 1.00 0.00 C ATOM 4 O SER A 1 -6.040 19.099 -12.810 1.00 0.00 O ATOM 5 CB SER A 1 -2.703 19.665 -13.276 1.00 0.00 C ATOM 6 OG SER A 1 -1.442 19.178 -13.700 1.00 0.00 O ATOM 0 H1 SER A 1 -4.010 17.271 -14.857 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.215 18.457 -14.700 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.678 18.880 -15.285 1.00 0.00 H new ATOM 0 HA SER A 1 -3.303 17.638 -12.813 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.039 20.451 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.609 20.115 -12.288 1.00 0.00 H new ATOM 0 HG SER A 1 -0.796 19.915 -13.720 1.00 0.00 H new ATOM 14 N ALA A 2 -4.636 19.111 -11.052 1.00 0.00 N ATOM 15 CA ALA A 2 -5.663 19.497 -10.094 1.00 0.00 C ATOM 16 C ALA A 2 -5.077 20.363 -8.981 1.00 0.00 C ATOM 17 O ALA A 2 -5.057 21.590 -9.086 1.00 0.00 O ATOM 18 CB ALA A 2 -6.345 18.260 -9.522 1.00 0.00 C ATOM 0 H ALA A 2 -3.708 18.986 -10.648 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.412 20.092 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.110 18.564 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.808 17.693 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.606 17.637 -9.019 1.00 0.00 H new ATOM 24 N LEU A 3 -4.602 19.724 -7.915 1.00 0.00 N ATOM 25 CA LEU A 3 -4.017 20.441 -6.785 1.00 0.00 C ATOM 26 C LEU A 3 -2.820 21.279 -7.230 1.00 0.00 C ATOM 27 O LEU A 3 -2.659 21.568 -8.415 1.00 0.00 O ATOM 28 CB LEU A 3 -3.584 19.449 -5.700 1.00 0.00 C ATOM 29 CG LEU A 3 -4.613 18.375 -5.341 1.00 0.00 C ATOM 30 CD1 LEU A 3 -4.344 17.092 -6.114 1.00 0.00 C ATOM 31 CD2 LEU A 3 -4.596 18.110 -3.843 1.00 0.00 C ATOM 0 H LEU A 3 -4.611 18.709 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.774 21.112 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.669 18.956 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.339 20.009 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.602 18.738 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.087 16.342 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.403 17.293 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.349 16.721 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.333 17.344 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.605 17.768 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.838 19.028 -3.308 1.00 0.00 H new ATOM 43 N LEU A 4 -1.979 21.660 -6.271 1.00 0.00 N ATOM 44 CA LEU A 4 -0.792 22.454 -6.562 1.00 0.00 C ATOM 45 C LEU A 4 0.402 21.540 -6.816 1.00 0.00 C ATOM 46 O LEU A 4 0.488 20.451 -6.250 1.00 0.00 O ATOM 47 CB LEU A 4 -0.479 23.403 -5.398 1.00 0.00 C ATOM 48 CG LEU A 4 -1.689 23.859 -4.570 1.00 0.00 C ATOM 49 CD1 LEU A 4 -1.568 23.383 -3.129 1.00 0.00 C ATOM 50 CD2 LEU A 4 -1.829 25.375 -4.620 1.00 0.00 C ATOM 0 H LEU A 4 -2.100 21.430 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.987 23.047 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.230 22.911 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.019 24.286 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.585 23.414 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.436 23.718 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.519 22.294 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.663 23.796 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.692 25.680 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.929 25.837 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.967 25.694 -5.653 1.00 0.00 H new ATOM 62 N LYS A 5 1.315 21.976 -7.679 1.00 0.00 N ATOM 63 CA LYS A 5 2.492 21.177 -8.010 1.00 0.00 C ATOM 64 C LYS A 5 3.176 20.658 -6.748 1.00 0.00 C ATOM 65 O LYS A 5 3.798 19.597 -6.761 1.00 0.00 O ATOM 66 CB LYS A 5 3.480 22.006 -8.834 1.00 0.00 C ATOM 67 CG LYS A 5 4.660 21.206 -9.359 1.00 0.00 C ATOM 68 CD LYS A 5 4.203 20.016 -10.186 1.00 0.00 C ATOM 69 CE LYS A 5 5.384 19.265 -10.780 1.00 0.00 C ATOM 70 NZ LYS A 5 5.825 18.143 -9.906 1.00 0.00 N ATOM 0 H LYS A 5 1.264 22.874 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 5 2.163 20.321 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.952 22.453 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.853 22.826 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.296 21.850 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.266 20.858 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.618 19.341 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.548 20.358 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.110 18.875 -11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.214 19.955 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.335 17.438 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.455 18.508 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.994 17.698 -9.467 1.00 0.00 H new ATOM 84 N ALA A 6 3.042 21.402 -5.658 1.00 0.00 N ATOM 85 CA ALA A 6 3.633 21.003 -4.389 1.00 0.00 C ATOM 86 C ALA A 6 2.909 19.783 -3.827 1.00 0.00 C ATOM 87 O ALA A 6 3.537 18.806 -3.407 1.00 0.00 O ATOM 88 CB ALA A 6 3.593 22.156 -3.397 1.00 0.00 C ATOM 0 H ALA A 6 2.530 22.284 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 6 4.676 20.736 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.039 21.840 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.153 23.001 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.558 22.454 -3.227 1.00 0.00 H new ATOM 94 N ASN A 7 1.581 19.837 -3.845 1.00 0.00 N ATOM 95 CA ASN A 7 0.765 18.736 -3.355 1.00 0.00 C ATOM 96 C ASN A 7 0.799 17.574 -4.341 1.00 0.00 C ATOM 97 O ASN A 7 0.972 16.420 -3.950 1.00 0.00 O ATOM 98 CB ASN A 7 -0.678 19.195 -3.131 1.00 0.00 C ATOM 99 CG ASN A 7 -1.073 19.171 -1.666 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.218 19.147 -0.782 1.00 0.00 O ATOM 101 ND2 ASN A 7 -2.375 19.177 -1.404 1.00 0.00 N ATOM 0 H ASN A 7 1.048 20.633 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 7 1.175 18.401 -2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.799 20.206 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.353 18.552 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.701 19.161 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.049 19.197 -2.169 1.00 0.00 H new ATOM 108 N LYS A 8 0.647 17.887 -5.623 1.00 0.00 N ATOM 109 CA LYS A 8 0.669 16.866 -6.662 1.00 0.00 C ATOM 110 C LYS A 8 2.013 16.147 -6.670 1.00 0.00 C ATOM 111 O LYS A 8 2.073 14.922 -6.766 1.00 0.00 O ATOM 112 CB LYS A 8 0.400 17.491 -8.032 1.00 0.00 C ATOM 113 CG LYS A 8 0.241 16.469 -9.145 1.00 0.00 C ATOM 114 CD LYS A 8 0.624 17.054 -10.494 1.00 0.00 C ATOM 115 CE LYS A 8 2.134 17.103 -10.669 1.00 0.00 C ATOM 116 NZ LYS A 8 2.651 15.902 -11.381 1.00 0.00 N ATOM 0 H LYS A 8 0.508 18.837 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.116 16.141 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.504 18.097 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.220 18.164 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.863 15.599 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.792 16.122 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.183 16.455 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.213 18.059 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.406 18.000 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.610 17.178 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.684 15.975 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.414 15.048 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.216 15.844 -12.324 1.00 0.00 H new ATOM 130 N ASP A 9 3.089 16.918 -6.553 1.00 0.00 N ATOM 131 CA ASP A 9 4.430 16.353 -6.534 1.00 0.00 C ATOM 132 C ASP A 9 4.600 15.442 -5.324 1.00 0.00 C ATOM 133 O ASP A 9 5.151 14.347 -5.429 1.00 0.00 O ATOM 134 CB ASP A 9 5.481 17.465 -6.505 1.00 0.00 C ATOM 135 CG ASP A 9 6.898 16.923 -6.521 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.345 16.399 -5.479 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.560 17.024 -7.575 1.00 0.00 O ATOM 0 H ASP A 9 3.057 17.934 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 9 4.570 15.766 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.336 18.120 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.338 18.073 -5.612 1.00 0.00 H new ATOM 142 N LEU A 10 4.116 15.902 -4.174 1.00 0.00 N ATOM 143 CA LEU A 10 4.209 15.126 -2.945 1.00 0.00 C ATOM 144 C LEU A 10 3.386 13.843 -3.047 1.00 0.00 C ATOM 145 O LEU A 10 3.848 12.766 -2.668 1.00 0.00 O ATOM 146 CB LEU A 10 3.736 15.959 -1.752 1.00 0.00 C ATOM 147 CG LEU A 10 4.695 15.986 -0.559 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.928 14.581 -0.028 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.013 16.637 -0.952 1.00 0.00 C ATOM 0 H LEU A 10 3.657 16.807 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 10 5.254 14.854 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.568 16.983 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.774 15.572 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 10 4.242 16.579 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.612 14.621 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.979 14.151 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.360 13.962 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.684 16.648 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.471 16.070 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.830 17.659 -1.283 1.00 0.00 H new ATOM 161 N ILE A 11 2.160 13.965 -3.552 1.00 0.00 N ATOM 162 CA ILE A 11 1.277 12.812 -3.689 1.00 0.00 C ATOM 163 C ILE A 11 1.840 11.796 -4.684 1.00 0.00 C ATOM 164 O ILE A 11 1.944 10.610 -4.372 1.00 0.00 O ATOM 165 CB ILE A 11 -0.145 13.249 -4.122 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.968 13.642 -2.893 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.855 12.146 -4.900 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.503 14.921 -2.233 1.00 0.00 C ATOM 0 H ILE A 11 1.758 14.847 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 11 1.212 12.335 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.046 14.111 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.012 13.754 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.927 12.832 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.850 12.486 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.281 11.904 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.943 11.258 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.133 15.135 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.531 14.807 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.571 15.743 -2.945 1.00 0.00 H new ATOM 180 N SER A 12 2.198 12.256 -5.880 1.00 0.00 N ATOM 181 CA SER A 12 2.743 11.369 -6.902 1.00 0.00 C ATOM 182 C SER A 12 4.027 10.708 -6.419 1.00 0.00 C ATOM 183 O SER A 12 4.240 9.514 -6.632 1.00 0.00 O ATOM 184 CB SER A 12 3.011 12.145 -8.192 1.00 0.00 C ATOM 185 OG SER A 12 3.932 13.200 -7.973 1.00 0.00 O ATOM 0 H SER A 12 2.121 13.233 -6.164 1.00 0.00 H new ATOM 0 HA SER A 12 2.006 10.591 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.403 11.469 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.075 12.550 -8.577 1.00 0.00 H new ATOM 0 HG SER A 12 3.478 13.943 -7.524 1.00 0.00 H new ATOM 191 N ALA A 13 4.879 11.486 -5.759 1.00 0.00 N ATOM 192 CA ALA A 13 6.135 10.963 -5.239 1.00 0.00 C ATOM 193 C ALA A 13 5.869 9.840 -4.249 1.00 0.00 C ATOM 194 O ALA A 13 6.539 8.805 -4.264 1.00 0.00 O ATOM 195 CB ALA A 13 6.942 12.073 -4.582 1.00 0.00 C ATOM 0 H ALA A 13 4.723 12.477 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 13 6.715 10.562 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.877 11.665 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.158 12.849 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.369 12.501 -3.760 1.00 0.00 H new ATOM 201 N GLY A 14 4.865 10.043 -3.403 1.00 0.00 N ATOM 202 CA GLY A 14 4.504 9.034 -2.431 1.00 0.00 C ATOM 203 C GLY A 14 3.873 7.826 -3.092 1.00 0.00 C ATOM 204 O GLY A 14 3.976 6.707 -2.591 1.00 0.00 O ATOM 0 H GLY A 14 4.296 10.889 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.392 8.725 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.809 9.458 -1.706 1.00 0.00 H new ATOM 208 N LEU A 15 3.222 8.058 -4.231 1.00 0.00 N ATOM 209 CA LEU A 15 2.576 6.983 -4.968 1.00 0.00 C ATOM 210 C LEU A 15 3.611 6.086 -5.639 1.00 0.00 C ATOM 211 O LEU A 15 3.456 4.865 -5.672 1.00 0.00 O ATOM 212 CB LEU A 15 1.635 7.573 -6.025 1.00 0.00 C ATOM 213 CG LEU A 15 0.142 7.481 -5.696 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.477 8.869 -5.637 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.578 6.618 -6.723 1.00 0.00 C ATOM 0 H LEU A 15 3.130 8.979 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 15 2.002 6.379 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.894 8.621 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.814 7.063 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 15 0.033 7.014 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.538 8.785 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.020 9.456 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.357 9.362 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.638 6.564 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.460 7.057 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.152 5.615 -6.718 1.00 0.00 H new ATOM 227 N LYS A 16 4.664 6.693 -6.181 1.00 0.00 N ATOM 228 CA LYS A 16 5.710 5.934 -6.855 1.00 0.00 C ATOM 229 C LYS A 16 6.543 5.142 -5.851 1.00 0.00 C ATOM 230 O LYS A 16 6.856 3.971 -6.076 1.00 0.00 O ATOM 231 CB LYS A 16 6.596 6.870 -7.697 1.00 0.00 C ATOM 232 CG LYS A 16 7.773 7.486 -6.949 1.00 0.00 C ATOM 233 CD LYS A 16 8.038 8.910 -7.403 1.00 0.00 C ATOM 234 CE LYS A 16 9.136 8.966 -8.453 1.00 0.00 C ATOM 235 NZ LYS A 16 10.020 10.151 -8.271 1.00 0.00 N ATOM 0 H LYS A 16 4.814 7.702 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 16 5.236 5.219 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.979 6.312 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.976 7.674 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.570 7.476 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.665 6.880 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.122 9.339 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.322 9.519 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.734 8.056 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.687 8.997 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.755 10.152 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.454 11.021 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.469 10.109 -7.334 1.00 0.00 H new ATOM 249 N GLU A 17 6.889 5.779 -4.737 1.00 0.00 N ATOM 250 CA GLU A 17 7.675 5.120 -3.705 1.00 0.00 C ATOM 251 C GLU A 17 6.899 3.949 -3.116 1.00 0.00 C ATOM 252 O GLU A 17 7.447 2.866 -2.910 1.00 0.00 O ATOM 253 CB GLU A 17 8.046 6.112 -2.601 1.00 0.00 C ATOM 254 CG GLU A 17 9.413 5.857 -1.988 1.00 0.00 C ATOM 255 CD GLU A 17 10.028 7.108 -1.391 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.462 7.641 -0.415 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.078 7.554 -1.902 1.00 0.00 O ATOM 0 H GLU A 17 6.638 6.745 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 17 8.592 4.742 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.023 7.122 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.291 6.068 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.323 5.096 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.080 5.457 -2.752 1.00 0.00 H new ATOM 264 N PHE A 18 5.620 4.180 -2.841 1.00 0.00 N ATOM 265 CA PHE A 18 4.764 3.152 -2.267 1.00 0.00 C ATOM 266 C PHE A 18 4.572 1.979 -3.222 1.00 0.00 C ATOM 267 O PHE A 18 4.615 0.821 -2.806 1.00 0.00 O ATOM 268 CB PHE A 18 3.406 3.743 -1.889 1.00 0.00 C ATOM 269 CG PHE A 18 2.627 2.881 -0.939 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.194 2.450 0.250 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.328 2.498 -1.234 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.482 1.654 1.125 1.00 0.00 C ATOM 273 CE2 PHE A 18 0.610 1.702 -0.362 1.00 0.00 C ATOM 274 CZ PHE A 18 1.188 1.279 0.818 1.00 0.00 C ATOM 0 H PHE A 18 5.154 5.072 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 18 5.258 2.777 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.557 4.724 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.819 3.896 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.205 2.740 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.872 2.826 -2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.936 1.325 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.402 1.411 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.629 0.656 1.501 1.00 0.00 H new ATOM 284 N SER A 19 4.342 2.273 -4.497 1.00 0.00 N ATOM 285 CA SER A 19 4.122 1.232 -5.499 1.00 0.00 C ATOM 286 C SER A 19 5.346 0.337 -5.676 1.00 0.00 C ATOM 287 O SER A 19 5.218 -0.882 -5.792 1.00 0.00 O ATOM 288 CB SER A 19 3.750 1.868 -6.840 1.00 0.00 C ATOM 289 OG SER A 19 4.658 2.902 -7.184 1.00 0.00 O ATOM 0 H SER A 19 4.303 3.224 -4.863 1.00 0.00 H new ATOM 0 HA SER A 19 3.303 0.606 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.749 1.106 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.739 2.271 -6.787 1.00 0.00 H new ATOM 0 HG SER A 19 5.335 2.990 -6.481 1.00 0.00 H new ATOM 295 N VAL A 20 6.532 0.937 -5.693 1.00 0.00 N ATOM 296 CA VAL A 20 7.761 0.169 -5.852 1.00 0.00 C ATOM 297 C VAL A 20 8.028 -0.660 -4.606 1.00 0.00 C ATOM 298 O VAL A 20 8.434 -1.820 -4.684 1.00 0.00 O ATOM 299 CB VAL A 20 8.978 1.078 -6.116 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.155 0.259 -6.625 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.624 2.184 -7.099 1.00 0.00 C ATOM 0 H VAL A 20 6.668 1.944 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 20 7.622 -0.482 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 20 9.267 1.544 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.005 0.917 -6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.427 -0.489 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.877 -0.239 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.498 2.813 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.304 1.743 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.816 2.790 -6.689 1.00 0.00 H new ATOM 311 N LEU A 21 7.790 -0.046 -3.457 1.00 0.00 N ATOM 312 CA LEU A 21 7.992 -0.707 -2.174 1.00 0.00 C ATOM 313 C LEU A 21 7.095 -1.938 -2.044 1.00 0.00 C ATOM 314 O LEU A 21 7.555 -3.017 -1.671 1.00 0.00 O ATOM 315 CB LEU A 21 7.712 0.275 -1.028 1.00 0.00 C ATOM 316 CG LEU A 21 7.491 -0.358 0.350 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.513 -1.454 0.610 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.554 0.705 1.438 1.00 0.00 C ATOM 0 H LEU A 21 7.455 0.915 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 21 9.030 -1.036 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.548 0.971 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.830 0.861 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 21 6.499 -0.810 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.337 -1.889 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.418 -2.228 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.517 -1.031 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.395 0.240 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.532 1.186 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.780 1.452 1.262 1.00 0.00 H new ATOM 330 N LEU A 22 5.812 -1.763 -2.341 1.00 0.00 N ATOM 331 CA LEU A 22 4.845 -2.852 -2.244 1.00 0.00 C ATOM 332 C LEU A 22 5.077 -3.918 -3.312 1.00 0.00 C ATOM 333 O LEU A 22 4.802 -5.097 -3.088 1.00 0.00 O ATOM 334 CB LEU A 22 3.421 -2.308 -2.369 1.00 0.00 C ATOM 335 CG LEU A 22 2.993 -1.332 -1.271 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.563 -0.869 -1.507 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.133 -1.972 0.105 1.00 0.00 C ATOM 0 H LEU A 22 5.416 -0.876 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 22 4.979 -3.317 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.324 -1.809 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.728 -3.149 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 22 3.649 -0.462 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.271 -0.175 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.497 -0.369 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.895 -1.731 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.823 -1.260 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.503 -2.860 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.173 -2.254 0.271 1.00 0.00 H new ATOM 349 N ASN A 23 5.565 -3.505 -4.477 1.00 0.00 N ATOM 350 CA ASN A 23 5.808 -4.440 -5.573 1.00 0.00 C ATOM 351 C ASN A 23 7.166 -5.126 -5.439 1.00 0.00 C ATOM 352 O ASN A 23 7.338 -6.266 -5.871 1.00 0.00 O ATOM 353 CB ASN A 23 5.728 -3.711 -6.916 1.00 0.00 C ATOM 354 CG ASN A 23 4.321 -3.693 -7.481 1.00 0.00 C ATOM 355 OD1 ASN A 23 3.825 -4.705 -7.977 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.669 -2.539 -7.407 1.00 0.00 N ATOM 0 H ASN A 23 5.799 -2.535 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 23 5.036 -5.208 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.080 -2.687 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.397 -4.194 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.718 -2.466 -7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.119 -1.725 -6.988 1.00 0.00 H new ATOM 363 N GLN A 24 8.135 -4.411 -4.876 1.00 0.00 N ATOM 364 CA GLN A 24 9.499 -4.925 -4.715 1.00 0.00 C ATOM 365 C GLN A 24 9.590 -6.211 -3.875 1.00 0.00 C ATOM 366 O GLN A 24 10.648 -6.505 -3.315 1.00 0.00 O ATOM 367 CB GLN A 24 10.391 -3.845 -4.097 1.00 0.00 C ATOM 368 CG GLN A 24 11.129 -3.008 -5.128 1.00 0.00 C ATOM 369 CD GLN A 24 12.461 -2.491 -4.619 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.465 -3.203 -4.636 1.00 0.00 O ATOM 371 NE2 GLN A 24 12.476 -1.245 -4.161 1.00 0.00 N ATOM 0 H GLN A 24 8.003 -3.465 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 24 9.843 -5.187 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.779 -3.189 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.118 -4.319 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.295 -3.606 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.504 -2.164 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.620 -0.690 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.343 -0.843 -3.805 1.00 0.00 H new ATOM 380 N GLN A 25 8.511 -6.991 -3.797 1.00 0.00 N ATOM 381 CA GLN A 25 8.532 -8.241 -3.042 1.00 0.00 C ATOM 382 C GLN A 25 9.009 -9.382 -3.937 1.00 0.00 C ATOM 383 O GLN A 25 9.267 -9.177 -5.124 1.00 0.00 O ATOM 384 CB GLN A 25 7.149 -8.561 -2.470 1.00 0.00 C ATOM 385 CG GLN A 25 6.375 -7.333 -2.018 1.00 0.00 C ATOM 386 CD GLN A 25 7.020 -6.641 -0.833 1.00 0.00 C ATOM 387 OE1 GLN A 25 6.899 -7.092 0.307 1.00 0.00 O ATOM 388 NE2 GLN A 25 7.712 -5.538 -1.096 1.00 0.00 N ATOM 0 H GLN A 25 7.619 -6.780 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 25 9.224 -8.126 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.567 -9.089 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.263 -9.239 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.299 -6.630 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.359 -7.625 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.787 -5.199 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.169 -5.030 -0.339 1.00 0.00 H new ATOM 397 N VAL A 26 9.145 -10.578 -3.372 1.00 0.00 N ATOM 398 CA VAL A 26 9.616 -11.723 -4.144 1.00 0.00 C ATOM 399 C VAL A 26 8.482 -12.669 -4.546 1.00 0.00 C ATOM 400 O VAL A 26 8.551 -13.875 -4.303 1.00 0.00 O ATOM 401 CB VAL A 26 10.686 -12.518 -3.368 1.00 0.00 C ATOM 402 CG1 VAL A 26 11.905 -11.647 -3.102 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.114 -13.062 -2.067 1.00 0.00 C ATOM 0 H VAL A 26 8.938 -10.779 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 26 10.053 -11.311 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 26 10.997 -13.365 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.651 -12.223 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.328 -11.314 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.610 -10.779 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.885 -13.619 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.771 -12.234 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.275 -13.723 -2.286 1.00 0.00 H new ATOM 413 N PHE A 27 7.426 -12.113 -5.131 1.00 0.00 N ATOM 414 CA PHE A 27 6.274 -12.920 -5.526 1.00 0.00 C ATOM 415 C PHE A 27 6.668 -13.948 -6.584 1.00 0.00 C ATOM 416 O PHE A 27 6.809 -13.631 -7.764 1.00 0.00 O ATOM 417 CB PHE A 27 5.145 -12.047 -6.077 1.00 0.00 C ATOM 418 CG PHE A 27 4.816 -10.849 -5.235 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.093 -10.988 -4.061 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.213 -9.581 -5.627 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.775 -9.885 -3.293 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.895 -8.474 -4.866 1.00 0.00 C ATOM 423 CZ PHE A 27 4.177 -8.626 -3.696 1.00 0.00 C ATOM 0 H PHE A 27 7.342 -11.118 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 27 5.921 -13.434 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.419 -11.709 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.249 -12.658 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.775 -11.970 -3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.778 -9.457 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.213 -10.006 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.207 -7.491 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.930 -7.762 -3.097 1.00 0.00 H new ATOM 433 N ASN A 28 6.832 -15.187 -6.130 1.00 0.00 N ATOM 434 CA ASN A 28 7.198 -16.303 -6.997 1.00 0.00 C ATOM 435 C ASN A 28 7.066 -17.616 -6.232 1.00 0.00 C ATOM 436 O ASN A 28 6.484 -18.583 -6.724 1.00 0.00 O ATOM 437 CB ASN A 28 8.625 -16.133 -7.526 1.00 0.00 C ATOM 438 CG ASN A 28 9.663 -16.133 -6.419 1.00 0.00 C ATOM 439 OD1 ASN A 28 10.000 -15.085 -5.871 1.00 0.00 O ATOM 440 ND2 ASN A 28 10.177 -17.312 -6.090 1.00 0.00 N ATOM 0 H ASN A 28 6.715 -15.446 -5.150 1.00 0.00 H new ATOM 0 HA ASN A 28 6.521 -16.320 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.847 -16.938 -8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.693 -15.198 -8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.882 -17.374 -5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.867 -18.156 -6.572 1.00 0.00 H new ATOM 447 N ASP A 29 7.591 -17.627 -5.012 1.00 0.00 N ATOM 448 CA ASP A 29 7.517 -18.801 -4.148 1.00 0.00 C ATOM 449 C ASP A 29 6.916 -18.425 -2.793 1.00 0.00 C ATOM 450 O ASP A 29 7.575 -17.786 -1.973 1.00 0.00 O ATOM 451 CB ASP A 29 8.907 -19.413 -3.957 1.00 0.00 C ATOM 452 CG ASP A 29 8.861 -20.924 -3.844 1.00 0.00 C ATOM 453 OD1 ASP A 29 8.647 -21.591 -4.879 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.042 -21.442 -2.723 1.00 0.00 O ATOM 0 H ASP A 29 8.075 -16.831 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 29 6.874 -19.541 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.543 -19.133 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.364 -18.998 -3.059 1.00 0.00 H new ATOM 459 N ALA A 30 5.637 -18.744 -2.595 1.00 0.00 N ATOM 460 CA ALA A 30 4.941 -18.346 -1.373 1.00 0.00 C ATOM 461 C ALA A 30 5.408 -19.114 -0.141 1.00 0.00 C ATOM 462 O ALA A 30 5.244 -20.328 -0.023 1.00 0.00 O ATOM 463 CB ALA A 30 3.440 -18.519 -1.548 1.00 0.00 C ATOM 0 H ALA A 30 5.068 -19.271 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 30 5.182 -17.297 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.930 -18.220 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.096 -17.897 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.217 -19.564 -1.763 1.00 0.00 H new ATOM 469 N LEU A 31 5.998 -18.342 0.767 1.00 0.00 N ATOM 470 CA LEU A 31 6.535 -18.825 2.033 1.00 0.00 C ATOM 471 C LEU A 31 7.129 -17.634 2.776 1.00 0.00 C ATOM 472 O LEU A 31 7.419 -16.622 2.144 1.00 0.00 O ATOM 473 CB LEU A 31 7.608 -19.893 1.798 1.00 0.00 C ATOM 474 CG LEU A 31 8.831 -19.421 1.008 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.103 -20.037 1.569 1.00 0.00 C ATOM 476 CD2 LEU A 31 8.679 -19.763 -0.466 1.00 0.00 C ATOM 0 H LEU A 31 6.118 -17.337 0.638 1.00 0.00 H new ATOM 0 HA LEU A 31 5.740 -19.283 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.942 -20.269 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.155 -20.731 1.269 1.00 0.00 H new ATOM 0 HG LEU A 31 8.903 -18.338 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.961 -19.689 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.221 -19.741 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.040 -21.123 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.558 -19.420 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.579 -20.842 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.791 -19.272 -0.864 1.00 0.00 H new ATOM 488 N VAL A 32 7.317 -17.752 4.098 1.00 0.00 N ATOM 489 CA VAL A 32 7.887 -16.677 4.932 1.00 0.00 C ATOM 490 C VAL A 32 6.967 -16.362 6.112 1.00 0.00 C ATOM 491 O VAL A 32 7.412 -16.337 7.259 1.00 0.00 O ATOM 492 CB VAL A 32 8.188 -15.361 4.164 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.908 -14.628 3.775 1.00 0.00 C ATOM 494 CG2 VAL A 32 9.080 -14.458 5.004 1.00 0.00 C ATOM 0 H VAL A 32 7.079 -18.594 4.622 1.00 0.00 H new ATOM 0 HA VAL A 32 8.844 -17.068 5.279 1.00 0.00 H new ATOM 0 HB VAL A 32 8.708 -15.625 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.161 -13.713 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.303 -15.268 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.344 -14.378 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.285 -13.538 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.576 -14.218 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.018 -14.970 5.217 1.00 0.00 H new ATOM 504 N SER A 33 5.683 -16.128 5.815 1.00 0.00 N ATOM 505 CA SER A 33 4.673 -15.812 6.833 1.00 0.00 C ATOM 506 C SER A 33 3.580 -14.924 6.243 1.00 0.00 C ATOM 507 O SER A 33 3.868 -13.902 5.621 1.00 0.00 O ATOM 508 CB SER A 33 5.300 -15.116 8.048 1.00 0.00 C ATOM 509 OG SER A 33 4.329 -14.385 8.778 1.00 0.00 O ATOM 0 H SER A 33 5.315 -16.152 4.864 1.00 0.00 H new ATOM 0 HA SER A 33 4.236 -16.754 7.164 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.763 -15.859 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.092 -14.444 7.717 1.00 0.00 H new ATOM 0 HG SER A 33 4.629 -14.277 9.704 1.00 0.00 H new ATOM 515 N GLU A 34 2.326 -15.323 6.437 1.00 0.00 N ATOM 516 CA GLU A 34 1.192 -14.566 5.918 1.00 0.00 C ATOM 517 C GLU A 34 0.943 -13.300 6.734 1.00 0.00 C ATOM 518 O GLU A 34 0.755 -12.215 6.180 1.00 0.00 O ATOM 519 CB GLU A 34 -0.067 -15.435 5.923 1.00 0.00 C ATOM 520 CG GLU A 34 -1.289 -14.740 5.347 1.00 0.00 C ATOM 521 CD GLU A 34 -2.539 -15.592 5.437 1.00 0.00 C ATOM 522 OE1 GLU A 34 -3.005 -15.846 6.568 1.00 0.00 O ATOM 523 OE2 GLU A 34 -3.053 -16.007 4.376 1.00 0.00 O ATOM 0 H GLU A 34 2.070 -16.167 6.950 1.00 0.00 H new ATOM 0 HA GLU A 34 1.431 -14.271 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.127 -16.343 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.283 -15.741 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.454 -13.802 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.101 -14.487 4.304 1.00 0.00 H new ATOM 530 N GLU A 35 0.935 -13.450 8.049 1.00 0.00 N ATOM 531 CA GLU A 35 0.699 -12.326 8.948 1.00 0.00 C ATOM 532 C GLU A 35 1.863 -11.341 8.919 1.00 0.00 C ATOM 533 O GLU A 35 1.677 -10.146 9.142 1.00 0.00 O ATOM 534 CB GLU A 35 0.467 -12.825 10.377 1.00 0.00 C ATOM 535 CG GLU A 35 -0.798 -12.273 11.013 1.00 0.00 C ATOM 536 CD GLU A 35 -1.736 -13.365 11.488 1.00 0.00 C ATOM 537 OE1 GLU A 35 -1.323 -14.170 12.348 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.885 -13.415 10.998 1.00 0.00 O ATOM 0 H GLU A 35 1.089 -14.341 8.521 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.195 -11.805 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.415 -13.914 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.324 -12.551 10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.529 -11.638 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.317 -11.642 10.292 1.00 0.00 H new ATOM 545 N ASP A 36 3.061 -11.843 8.640 1.00 0.00 N ATOM 546 CA ASP A 36 4.238 -10.988 8.581 1.00 0.00 C ATOM 547 C ASP A 36 4.099 -9.984 7.449 1.00 0.00 C ATOM 548 O ASP A 36 4.189 -8.776 7.663 1.00 0.00 O ATOM 549 CB ASP A 36 5.505 -11.822 8.394 1.00 0.00 C ATOM 550 CG ASP A 36 6.034 -12.371 9.705 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.216 -12.846 10.522 1.00 0.00 O ATOM 552 OD2 ASP A 36 7.263 -12.323 9.917 1.00 0.00 O ATOM 0 H ASP A 36 3.241 -12.829 8.453 1.00 0.00 H new ATOM 0 HA ASP A 36 4.319 -10.449 9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.296 -12.649 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.274 -11.209 7.923 1.00 0.00 H new ATOM 557 N MET A 37 3.852 -10.488 6.243 1.00 0.00 N ATOM 558 CA MET A 37 3.670 -9.621 5.088 1.00 0.00 C ATOM 559 C MET A 37 2.520 -8.665 5.361 1.00 0.00 C ATOM 560 O MET A 37 2.637 -7.457 5.163 1.00 0.00 O ATOM 561 CB MET A 37 3.383 -10.447 3.832 1.00 0.00 C ATOM 562 CG MET A 37 3.594 -9.677 2.538 1.00 0.00 C ATOM 563 SD MET A 37 5.057 -10.218 1.633 1.00 0.00 S ATOM 564 CE MET A 37 6.339 -9.304 2.487 1.00 0.00 C ATOM 0 H MET A 37 3.774 -11.485 6.043 1.00 0.00 H new ATOM 0 HA MET A 37 4.586 -9.055 4.918 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.026 -11.327 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.354 -10.804 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.716 -9.795 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.684 -8.614 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.297 -9.477 1.997 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.106 -8.240 2.461 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.396 -9.638 3.523 1.00 0.00 H new ATOM 574 N VAL A 38 1.395 -9.229 5.792 1.00 0.00 N ATOM 575 CA VAL A 38 0.206 -8.440 6.066 1.00 0.00 C ATOM 576 C VAL A 38 0.502 -7.339 7.081 1.00 0.00 C ATOM 577 O VAL A 38 0.093 -6.194 6.886 1.00 0.00 O ATOM 578 CB VAL A 38 -0.937 -9.336 6.593 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.101 -8.502 7.108 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.399 -10.298 5.509 1.00 0.00 C ATOM 0 H VAL A 38 1.286 -10.229 5.958 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.106 -7.979 5.129 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.552 -9.917 7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.889 -9.162 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.759 -7.863 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.491 -7.883 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.204 -10.922 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.759 -9.732 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.565 -10.930 5.204 1.00 0.00 H new ATOM 590 N THR A 39 1.219 -7.662 8.155 1.00 0.00 N ATOM 591 CA THR A 39 1.550 -6.655 9.154 1.00 0.00 C ATOM 592 C THR A 39 2.427 -5.566 8.542 1.00 0.00 C ATOM 593 O THR A 39 2.304 -4.392 8.887 1.00 0.00 O ATOM 594 CB THR A 39 2.268 -7.296 10.344 1.00 0.00 C ATOM 595 OG1 THR A 39 1.498 -8.358 10.880 1.00 0.00 O ATOM 596 CG2 THR A 39 2.549 -6.321 11.465 1.00 0.00 C ATOM 0 H THR A 39 1.576 -8.597 8.352 1.00 0.00 H new ATOM 0 HA THR A 39 0.622 -6.204 9.506 1.00 0.00 H new ATOM 0 HB THR A 39 3.218 -7.657 9.951 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.798 -9.207 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.059 -6.838 12.278 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.181 -5.514 11.095 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.609 -5.907 11.831 1.00 0.00 H new ATOM 604 N VAL A 40 3.306 -5.968 7.628 1.00 0.00 N ATOM 605 CA VAL A 40 4.200 -5.027 6.965 1.00 0.00 C ATOM 606 C VAL A 40 3.410 -4.002 6.157 1.00 0.00 C ATOM 607 O VAL A 40 3.643 -2.798 6.268 1.00 0.00 O ATOM 608 CB VAL A 40 5.195 -5.747 6.033 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.173 -4.755 5.422 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.937 -6.842 6.789 1.00 0.00 C ATOM 0 H VAL A 40 3.417 -6.937 7.331 1.00 0.00 H new ATOM 0 HA VAL A 40 4.761 -4.518 7.749 1.00 0.00 H new ATOM 0 HB VAL A 40 4.633 -6.211 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.866 -5.284 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.624 -4.012 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.731 -4.258 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.635 -7.340 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.487 -6.401 7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.221 -7.569 7.172 1.00 0.00 H new ATOM 620 N VAL A 41 2.472 -4.483 5.345 1.00 0.00 N ATOM 621 CA VAL A 41 1.652 -3.598 4.525 1.00 0.00 C ATOM 622 C VAL A 41 0.869 -2.622 5.399 1.00 0.00 C ATOM 623 O VAL A 41 0.865 -1.418 5.149 1.00 0.00 O ATOM 624 CB VAL A 41 0.666 -4.390 3.638 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.121 -3.450 2.737 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.402 -5.433 2.808 1.00 0.00 C ATOM 0 H VAL A 41 2.262 -5.475 5.238 1.00 0.00 H new ATOM 0 HA VAL A 41 2.332 -3.044 3.878 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.036 -4.907 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.809 -4.028 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.685 -2.747 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.567 -2.901 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.687 -5.978 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.132 -4.939 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.915 -6.130 3.471 1.00 0.00 H new ATOM 636 N GLU A 42 0.207 -3.150 6.425 1.00 0.00 N ATOM 637 CA GLU A 42 -0.577 -2.320 7.336 1.00 0.00 C ATOM 638 C GLU A 42 0.322 -1.339 8.083 1.00 0.00 C ATOM 639 O GLU A 42 -0.015 -0.164 8.234 1.00 0.00 O ATOM 640 CB GLU A 42 -1.343 -3.195 8.333 1.00 0.00 C ATOM 641 CG GLU A 42 -2.855 -3.058 8.227 1.00 0.00 C ATOM 642 CD GLU A 42 -3.561 -4.398 8.129 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.633 -4.951 7.012 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.043 -4.892 9.170 1.00 0.00 O ATOM 0 H GLU A 42 0.197 -4.146 6.646 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.294 -1.751 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.069 -4.238 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.033 -2.935 9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.228 -2.518 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.100 -2.458 7.351 1.00 0.00 H new ATOM 651 N ASP A 43 1.464 -1.830 8.552 1.00 0.00 N ATOM 652 CA ASP A 43 2.412 -1.000 9.288 1.00 0.00 C ATOM 653 C ASP A 43 2.914 0.157 8.429 1.00 0.00 C ATOM 654 O ASP A 43 2.888 1.313 8.852 1.00 0.00 O ATOM 655 CB ASP A 43 3.596 -1.844 9.767 1.00 0.00 C ATOM 656 CG ASP A 43 3.402 -2.367 11.177 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.645 -1.600 12.133 1.00 0.00 O ATOM 658 OD2 ASP A 43 3.008 -3.543 11.325 1.00 0.00 O ATOM 0 H ASP A 43 1.756 -2.800 8.436 1.00 0.00 H new ATOM 0 HA ASP A 43 1.893 -0.585 10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.738 -2.684 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.505 -1.245 9.727 1.00 0.00 H new ATOM 663 N TRP A 44 3.372 -0.162 7.222 1.00 0.00 N ATOM 664 CA TRP A 44 3.885 0.854 6.309 1.00 0.00 C ATOM 665 C TRP A 44 2.817 1.895 5.996 1.00 0.00 C ATOM 666 O TRP A 44 3.068 3.099 6.066 1.00 0.00 O ATOM 667 CB TRP A 44 4.363 0.202 5.009 1.00 0.00 C ATOM 668 CG TRP A 44 5.628 -0.585 5.163 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.490 -0.554 6.219 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.174 -1.521 4.226 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.541 -1.412 5.997 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.369 -2.017 4.780 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.767 -1.987 2.973 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.161 -2.957 4.123 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.553 -2.919 2.323 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.738 -3.396 2.898 1.00 0.00 C ATOM 0 H TRP A 44 3.398 -1.113 6.854 1.00 0.00 H new ATOM 0 HA TRP A 44 4.724 1.352 6.795 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.579 -0.456 4.633 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.516 0.977 4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.365 0.056 7.102 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.321 -1.572 6.634 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.855 -1.625 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.075 -3.325 4.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.248 -3.286 1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.330 -4.125 2.364 1.00 0.00 H new ATOM 687 N MET A 45 1.625 1.425 5.644 1.00 0.00 N ATOM 688 CA MET A 45 0.518 2.313 5.311 1.00 0.00 C ATOM 689 C MET A 45 0.239 3.297 6.440 1.00 0.00 C ATOM 690 O MET A 45 0.122 4.500 6.214 1.00 0.00 O ATOM 691 CB MET A 45 -0.739 1.496 5.005 1.00 0.00 C ATOM 692 CG MET A 45 -1.950 2.345 4.655 1.00 0.00 C ATOM 693 SD MET A 45 -3.071 1.519 3.511 1.00 0.00 S ATOM 694 CE MET A 45 -4.296 0.869 4.643 1.00 0.00 C ATOM 0 H MET A 45 1.401 0.432 5.582 1.00 0.00 H new ATOM 0 HA MET A 45 0.800 2.884 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.529 0.820 4.176 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.978 0.877 5.869 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.489 2.596 5.569 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.615 3.284 4.215 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.059 0.330 4.082 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.816 0.190 5.348 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.759 1.691 5.189 1.00 0.00 H new ATOM 704 N ASN A 46 0.135 2.781 7.656 1.00 0.00 N ATOM 705 CA ASN A 46 -0.129 3.618 8.820 1.00 0.00 C ATOM 706 C ASN A 46 1.005 4.610 9.044 1.00 0.00 C ATOM 707 O ASN A 46 0.769 5.782 9.338 1.00 0.00 O ATOM 708 CB ASN A 46 -0.322 2.753 10.066 1.00 0.00 C ATOM 709 CG ASN A 46 -1.333 3.344 11.029 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.337 3.924 10.615 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.071 3.201 12.323 1.00 0.00 N ATOM 0 H ASN A 46 0.229 1.787 7.864 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.045 4.178 8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.649 1.757 9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.635 2.635 10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.714 3.579 13.018 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.227 2.713 12.621 1.00 0.00 H new ATOM 718 N PHE A 47 2.237 4.136 8.897 1.00 0.00 N ATOM 719 CA PHE A 47 3.407 4.984 9.079 1.00 0.00 C ATOM 720 C PHE A 47 3.431 6.092 8.031 1.00 0.00 C ATOM 721 O PHE A 47 3.885 7.206 8.298 1.00 0.00 O ATOM 722 CB PHE A 47 4.688 4.149 8.992 1.00 0.00 C ATOM 723 CG PHE A 47 5.948 4.958 9.119 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.404 5.723 8.058 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.674 4.953 10.298 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.562 6.469 8.171 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.834 5.697 10.417 1.00 0.00 C ATOM 728 CZ PHE A 47 8.277 6.456 9.353 1.00 0.00 C ATOM 0 H PHE A 47 2.450 3.169 8.652 1.00 0.00 H new ATOM 0 HA PHE A 47 3.352 5.440 10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.672 3.393 9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.702 3.619 8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.848 5.737 7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.331 4.362 11.134 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.907 7.061 7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.392 5.684 11.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.181 7.039 9.444 1.00 0.00 H new ATOM 738 N TYR A 48 2.939 5.778 6.837 1.00 0.00 N ATOM 739 CA TYR A 48 2.905 6.745 5.747 1.00 0.00 C ATOM 740 C TYR A 48 1.887 7.846 6.022 1.00 0.00 C ATOM 741 O TYR A 48 2.196 9.030 5.906 1.00 0.00 O ATOM 742 CB TYR A 48 2.577 6.046 4.427 1.00 0.00 C ATOM 743 CG TYR A 48 3.802 5.604 3.659 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.816 6.505 3.359 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.945 4.289 3.237 1.00 0.00 C ATOM 746 CE1 TYR A 48 5.939 6.106 2.658 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.064 3.882 2.536 1.00 0.00 C ATOM 748 CZ TYR A 48 6.058 4.795 2.249 1.00 0.00 C ATOM 749 OH TYR A 48 7.174 4.394 1.551 1.00 0.00 O ATOM 0 H TYR A 48 2.559 4.862 6.600 1.00 0.00 H new ATOM 0 HA TYR A 48 3.892 7.203 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.952 5.176 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.991 6.721 3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.726 7.533 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.169 3.572 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.719 6.818 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.160 2.855 2.215 1.00 0.00 H new ATOM 0 HH TYR A 48 7.943 4.938 1.822 1.00 0.00 H new ATOM 759 N ILE A 49 0.669 7.452 6.387 1.00 0.00 N ATOM 760 CA ILE A 49 -0.386 8.417 6.675 1.00 0.00 C ATOM 761 C ILE A 49 0.029 9.358 7.806 1.00 0.00 C ATOM 762 O ILE A 49 -0.066 10.578 7.677 1.00 0.00 O ATOM 763 CB ILE A 49 -1.713 7.706 7.040 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.434 7.255 5.769 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.619 8.615 7.865 1.00 0.00 C ATOM 766 CD1 ILE A 49 -1.903 5.959 5.196 1.00 0.00 C ATOM 0 H ILE A 49 0.390 6.476 6.490 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.547 9.004 5.771 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.473 6.832 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.496 7.138 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.347 8.038 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.542 8.088 8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.111 8.895 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.853 9.513 7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.463 5.703 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.849 6.077 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.015 5.163 5.932 1.00 0.00 H new ATOM 778 N ASN A 50 0.483 8.783 8.915 1.00 0.00 N ATOM 779 CA ASN A 50 0.905 9.572 10.067 1.00 0.00 C ATOM 780 C ASN A 50 2.049 10.515 9.706 1.00 0.00 C ATOM 781 O ASN A 50 2.052 11.681 10.103 1.00 0.00 O ATOM 782 CB ASN A 50 1.333 8.651 11.211 1.00 0.00 C ATOM 783 CG ASN A 50 0.150 8.054 11.948 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.453 7.082 11.495 1.00 0.00 O ATOM 785 ND2 ASN A 50 -0.190 8.639 13.092 1.00 0.00 N ATOM 0 H ASN A 50 0.568 7.774 9.040 1.00 0.00 H new ATOM 0 HA ASN A 50 0.055 10.175 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.953 7.847 10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.950 9.212 11.914 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.979 8.284 13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.338 9.443 13.430 1.00 0.00 H new ATOM 792 N TYR A 51 3.023 10.007 8.957 1.00 0.00 N ATOM 793 CA TYR A 51 4.172 10.811 8.554 1.00 0.00 C ATOM 794 C TYR A 51 3.755 11.930 7.603 1.00 0.00 C ATOM 795 O TYR A 51 4.113 13.091 7.798 1.00 0.00 O ATOM 796 CB TYR A 51 5.229 9.930 7.887 1.00 0.00 C ATOM 797 CG TYR A 51 6.627 10.499 7.963 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.075 11.417 7.020 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.499 10.121 8.975 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.353 11.940 7.085 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.777 10.640 9.047 1.00 0.00 C ATOM 802 CZ TYR A 51 9.199 11.549 8.101 1.00 0.00 C ATOM 803 OH TYR A 51 10.472 12.068 8.169 1.00 0.00 O ATOM 0 H TYR A 51 3.040 9.045 8.618 1.00 0.00 H new ATOM 0 HA TYR A 51 4.595 11.263 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.220 8.947 8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.961 9.785 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.414 11.727 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.173 9.409 9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.687 12.651 6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.442 10.335 9.841 1.00 0.00 H new ATOM 0 HH TYR A 51 10.938 11.691 8.944 1.00 0.00 H new ATOM 813 N TYR A 52 2.998 11.572 6.572 1.00 0.00 N ATOM 814 CA TYR A 52 2.532 12.543 5.589 1.00 0.00 C ATOM 815 C TYR A 52 1.648 13.598 6.242 1.00 0.00 C ATOM 816 O TYR A 52 1.646 14.761 5.835 1.00 0.00 O ATOM 817 CB TYR A 52 1.766 11.837 4.471 1.00 0.00 C ATOM 818 CG TYR A 52 2.644 11.390 3.323 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.604 12.238 2.788 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.512 10.120 2.775 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.409 11.834 1.740 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.313 9.708 1.729 1.00 0.00 C ATOM 823 CZ TYR A 52 4.259 10.569 1.215 1.00 0.00 C ATOM 824 OH TYR A 52 5.060 10.162 0.172 1.00 0.00 O ATOM 0 H TYR A 52 2.693 10.615 6.395 1.00 0.00 H new ATOM 0 HA TYR A 52 3.404 13.041 5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.254 10.968 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.997 12.508 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.724 13.230 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.770 9.444 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.151 12.506 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.199 8.717 1.316 1.00 0.00 H new ATOM 0 HH TYR A 52 5.454 9.290 0.383 1.00 0.00 H new ATOM 834 N ARG A 53 0.895 13.186 7.256 1.00 0.00 N ATOM 835 CA ARG A 53 0.002 14.095 7.968 1.00 0.00 C ATOM 836 C ARG A 53 0.762 15.305 8.502 1.00 0.00 C ATOM 837 O ARG A 53 0.257 16.427 8.480 1.00 0.00 O ATOM 838 CB ARG A 53 -0.691 13.361 9.119 1.00 0.00 C ATOM 839 CG ARG A 53 -2.202 13.541 9.133 1.00 0.00 C ATOM 840 CD ARG A 53 -2.927 12.207 9.029 1.00 0.00 C ATOM 841 NE ARG A 53 -3.362 11.718 10.334 1.00 0.00 N ATOM 842 CZ ARG A 53 -4.205 10.702 10.502 1.00 0.00 C ATOM 843 NH1 ARG A 53 -4.702 10.063 9.451 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.552 10.324 11.724 1.00 0.00 N ATOM 0 H ARG A 53 0.885 12.227 7.604 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.751 14.449 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.461 12.298 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.282 13.717 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.500 14.047 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.500 14.183 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.793 12.315 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.268 11.471 8.567 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.998 12.182 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.438 10.350 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.348 9.285 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.173 10.812 12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.198 9.545 11.853 1.00 0.00 H new ATOM 858 N GLN A 54 1.978 15.071 8.984 1.00 0.00 N ATOM 859 CA GLN A 54 2.807 16.142 9.526 1.00 0.00 C ATOM 860 C GLN A 54 3.578 16.871 8.422 1.00 0.00 C ATOM 861 O GLN A 54 4.324 17.810 8.698 1.00 0.00 O ATOM 862 CB GLN A 54 3.785 15.581 10.561 1.00 0.00 C ATOM 863 CG GLN A 54 3.320 15.755 11.997 1.00 0.00 C ATOM 864 CD GLN A 54 4.281 15.146 13.000 1.00 0.00 C ATOM 865 OE1 GLN A 54 3.919 14.245 13.756 1.00 0.00 O ATOM 866 NE2 GLN A 54 5.515 15.638 13.011 1.00 0.00 N ATOM 0 H GLN A 54 2.412 14.148 9.010 1.00 0.00 H new ATOM 0 HA GLN A 54 2.145 16.862 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.939 14.520 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.751 16.072 10.439 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.203 16.817 12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.338 15.296 12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.772 16.385 12.366 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.206 15.268 13.664 1.00 0.00 H new ATOM 875 N GLN A 55 3.400 16.434 7.177 1.00 0.00 N ATOM 876 CA GLN A 55 4.086 17.053 6.048 1.00 0.00 C ATOM 877 C GLN A 55 3.133 17.926 5.237 1.00 0.00 C ATOM 878 O GLN A 55 3.298 18.081 4.027 1.00 0.00 O ATOM 879 CB GLN A 55 4.705 15.977 5.152 1.00 0.00 C ATOM 880 CG GLN A 55 6.123 16.296 4.709 1.00 0.00 C ATOM 881 CD GLN A 55 7.134 16.123 5.825 1.00 0.00 C ATOM 882 OE1 GLN A 55 7.085 16.821 6.838 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.059 15.187 5.645 1.00 0.00 N ATOM 0 H GLN A 55 2.789 15.657 6.926 1.00 0.00 H new ATOM 0 HA GLN A 55 4.878 17.690 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.705 15.027 5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.078 15.846 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.394 15.649 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.163 17.322 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.062 14.631 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.766 15.024 6.362 1.00 0.00 H new ATOM 892 N VAL A 56 2.138 18.494 5.910 1.00 0.00 N ATOM 893 CA VAL A 56 1.161 19.352 5.247 1.00 0.00 C ATOM 894 C VAL A 56 0.752 20.516 6.144 1.00 0.00 C ATOM 895 O VAL A 56 0.200 20.313 7.225 1.00 0.00 O ATOM 896 CB VAL A 56 -0.107 18.573 4.835 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.733 19.196 3.596 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.204 17.102 4.597 1.00 0.00 C ATOM 0 H VAL A 56 1.986 18.377 6.912 1.00 0.00 H new ATOM 0 HA VAL A 56 1.647 19.733 4.349 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.822 18.634 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.626 18.635 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.005 20.230 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.017 19.169 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.708 16.579 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.942 17.010 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.601 16.661 5.512 1.00 0.00 H new ATOM 908 N THR A 57 1.028 21.733 5.689 1.00 0.00 N ATOM 909 CA THR A 57 0.689 22.930 6.452 1.00 0.00 C ATOM 910 C THR A 57 0.665 24.166 5.556 1.00 0.00 C ATOM 911 O THR A 57 1.371 25.144 5.809 1.00 0.00 O ATOM 912 CB THR A 57 1.688 23.127 7.593 1.00 0.00 C ATOM 913 OG1 THR A 57 1.531 24.406 8.182 1.00 0.00 O ATOM 914 CG2 THR A 57 3.130 22.999 7.152 1.00 0.00 C ATOM 0 H THR A 57 1.485 21.917 4.796 1.00 0.00 H new ATOM 0 HA THR A 57 -0.309 22.794 6.869 1.00 0.00 H new ATOM 0 HB THR A 57 1.471 22.334 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.741 25.099 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.787 23.150 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.297 22.005 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.346 23.750 6.392 1.00 0.00 H new ATOM 922 N GLY A 58 -0.150 24.117 4.508 1.00 0.00 N ATOM 923 CA GLY A 58 -0.250 25.241 3.592 1.00 0.00 C ATOM 924 C GLY A 58 -1.686 25.582 3.230 1.00 0.00 C ATOM 925 O GLY A 58 -1.924 26.397 2.340 1.00 0.00 O ATOM 0 H GLY A 58 -0.743 23.320 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.223 26.114 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.304 25.012 2.682 1.00 0.00 H new ATOM 929 N GLU A 59 -2.637 24.973 3.950 1.00 0.00 N ATOM 930 CA GLU A 59 -4.076 25.203 3.756 1.00 0.00 C ATOM 931 C GLU A 59 -4.869 23.937 4.057 1.00 0.00 C ATOM 932 O GLU A 59 -4.420 22.829 3.759 1.00 0.00 O ATOM 933 CB GLU A 59 -4.419 25.672 2.336 1.00 0.00 C ATOM 934 CG GLU A 59 -3.760 24.870 1.225 1.00 0.00 C ATOM 935 CD GLU A 59 -3.316 25.741 0.065 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.184 26.388 -0.558 1.00 0.00 O ATOM 937 OE2 GLU A 59 -2.100 25.774 -0.221 1.00 0.00 O ATOM 0 H GLU A 59 -2.429 24.302 4.689 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.350 25.997 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.500 25.628 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.128 26.717 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.897 24.339 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.458 24.116 0.862 1.00 0.00 H new ATOM 944 N PRO A 60 -6.078 24.082 4.631 1.00 0.00 N ATOM 945 CA PRO A 60 -6.938 22.938 4.939 1.00 0.00 C ATOM 946 C PRO A 60 -7.219 22.124 3.687 1.00 0.00 C ATOM 947 O PRO A 60 -7.425 20.912 3.748 1.00 0.00 O ATOM 948 CB PRO A 60 -8.228 23.572 5.475 1.00 0.00 C ATOM 949 CG PRO A 60 -8.168 25.004 5.059 1.00 0.00 C ATOM 950 CD PRO A 60 -6.710 25.359 4.994 1.00 0.00 C ATOM 0 HA PRO A 60 -6.481 22.252 5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.109 23.080 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.290 23.480 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.648 25.149 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.692 25.639 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.515 26.132 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.343 25.735 5.949 1.00 0.00 H new ATOM 958 N GLN A 61 -7.193 22.802 2.544 1.00 0.00 N ATOM 959 CA GLN A 61 -7.413 22.148 1.264 1.00 0.00 C ATOM 960 C GLN A 61 -6.209 21.281 0.933 1.00 0.00 C ATOM 961 O GLN A 61 -6.339 20.217 0.333 1.00 0.00 O ATOM 962 CB GLN A 61 -7.637 23.180 0.153 1.00 0.00 C ATOM 963 CG GLN A 61 -8.306 24.461 0.625 1.00 0.00 C ATOM 964 CD GLN A 61 -9.324 24.989 -0.367 1.00 0.00 C ATOM 965 OE1 GLN A 61 -8.986 25.329 -1.500 1.00 0.00 O ATOM 966 NE2 GLN A 61 -10.581 25.060 0.056 1.00 0.00 N ATOM 0 H GLN A 61 -7.021 23.805 2.481 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.307 21.528 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.676 23.429 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.248 22.730 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.797 24.279 1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.544 25.222 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.817 24.767 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.310 25.407 -0.567 1.00 0.00 H new ATOM 975 N GLU A 62 -5.033 21.742 1.347 1.00 0.00 N ATOM 976 CA GLU A 62 -3.802 21.004 1.111 1.00 0.00 C ATOM 977 C GLU A 62 -3.758 19.757 1.975 1.00 0.00 C ATOM 978 O GLU A 62 -3.343 18.693 1.525 1.00 0.00 O ATOM 979 CB GLU A 62 -2.578 21.874 1.402 1.00 0.00 C ATOM 980 CG GLU A 62 -1.914 22.427 0.151 1.00 0.00 C ATOM 981 CD GLU A 62 -0.405 22.497 0.274 1.00 0.00 C ATOM 982 OE1 GLU A 62 0.207 21.474 0.650 1.00 0.00 O ATOM 983 OE2 GLU A 62 0.165 23.571 -0.008 1.00 0.00 O ATOM 0 H GLU A 62 -4.909 22.622 1.847 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.782 20.714 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.876 22.704 2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.849 21.287 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.177 21.801 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.305 23.424 -0.053 1.00 0.00 H new ATOM 990 N ARG A 63 -4.183 19.899 3.225 1.00 0.00 N ATOM 991 CA ARG A 63 -4.179 18.771 4.150 1.00 0.00 C ATOM 992 C ARG A 63 -5.291 17.780 3.812 1.00 0.00 C ATOM 993 O ARG A 63 -5.037 16.596 3.617 1.00 0.00 O ATOM 994 CB ARG A 63 -4.350 19.265 5.588 1.00 0.00 C ATOM 995 CG ARG A 63 -3.175 20.082 6.100 1.00 0.00 C ATOM 996 CD ARG A 63 -2.836 19.727 7.540 1.00 0.00 C ATOM 997 NE ARG A 63 -3.921 20.069 8.456 1.00 0.00 N ATOM 998 CZ ARG A 63 -4.083 19.514 9.656 1.00 0.00 C ATOM 999 NH1 ARG A 63 -3.230 18.598 10.093 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -5.101 19.882 10.422 1.00 0.00 N ATOM 0 H ARG A 63 -4.531 20.773 3.619 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.220 18.262 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.255 19.869 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.496 18.406 6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.305 19.907 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.411 21.144 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.624 18.660 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.929 20.252 7.839 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.595 20.775 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.443 18.314 9.509 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.360 18.177 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.758 20.589 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.227 19.458 11.341 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.523 18.271 3.767 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.678 17.424 3.476 1.00 0.00 C ATOM 1016 C ASP A 64 -7.567 16.748 2.110 1.00 0.00 C ATOM 1017 O ASP A 64 -7.913 15.576 1.956 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.965 18.248 3.544 1.00 0.00 C ATOM 1019 CG ASP A 64 -10.171 17.407 3.913 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -10.305 17.051 5.104 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.983 17.104 3.013 1.00 0.00 O ATOM 0 H ASP A 64 -6.751 19.252 3.928 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.703 16.639 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.844 19.046 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.139 18.725 2.579 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.099 17.495 1.119 1.00 0.00 N ATOM 1027 CA LYS A 65 -6.968 16.962 -0.236 1.00 0.00 C ATOM 1028 C LYS A 65 -5.750 16.051 -0.374 1.00 0.00 C ATOM 1029 O LYS A 65 -5.803 15.041 -1.074 1.00 0.00 O ATOM 1030 CB LYS A 65 -6.909 18.095 -1.261 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.494 17.719 -2.613 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.991 17.988 -2.666 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.378 18.771 -3.911 1.00 0.00 C ATOM 1034 NZ LYS A 65 -8.497 19.954 -4.121 1.00 0.00 N ATOM 0 H LYS A 65 -6.805 18.466 1.224 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.854 16.358 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.447 18.958 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.871 18.400 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.993 18.286 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.305 16.664 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.532 17.042 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.293 18.544 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.322 18.118 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.413 19.100 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.053 20.734 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.094 20.253 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.728 19.702 -4.774 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.659 16.402 0.297 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.445 15.593 0.237 1.00 0.00 C ATOM 1050 C ALA A 66 -3.601 14.322 1.064 1.00 0.00 C ATOM 1051 O ALA A 66 -3.122 13.254 0.681 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.243 16.392 0.718 1.00 0.00 C ATOM 0 H ALA A 66 -4.589 17.233 0.884 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.279 15.309 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.349 15.771 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.113 17.270 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.405 16.708 1.748 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.286 14.446 2.195 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.520 13.310 3.076 1.00 0.00 C ATOM 1060 C LEU A 67 -5.532 12.361 2.452 1.00 0.00 C ATOM 1061 O LEU A 67 -5.395 11.141 2.546 1.00 0.00 O ATOM 1062 CB LEU A 67 -5.019 13.782 4.443 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.923 14.237 5.408 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.531 14.930 6.618 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.073 13.053 5.841 1.00 0.00 C ATOM 0 H LEU A 67 -4.689 15.324 2.523 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.576 12.782 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.716 14.606 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.579 12.971 4.909 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.282 14.951 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.736 15.247 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.098 15.802 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.195 14.239 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.298 13.393 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.702 12.317 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.609 12.599 4.966 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.543 12.930 1.802 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.568 12.130 1.150 1.00 0.00 C ATOM 1079 C GLN A 68 -6.974 11.400 -0.046 1.00 0.00 C ATOM 1080 O GLN A 68 -7.277 10.232 -0.292 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.733 13.020 0.712 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.788 12.296 -0.107 1.00 0.00 C ATOM 1083 CD GLN A 68 -11.194 12.765 0.213 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.436 13.958 0.399 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -12.132 11.826 0.277 1.00 0.00 N ATOM 0 H GLN A 68 -6.672 13.938 1.714 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.946 11.391 1.857 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.204 13.446 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.341 13.852 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.589 12.451 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.715 11.224 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.887 10.849 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.097 12.082 0.487 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.109 12.094 -0.776 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.453 11.510 -1.934 1.00 0.00 C ATOM 1096 C GLU A 69 -4.493 10.418 -1.487 1.00 0.00 C ATOM 1097 O GLU A 69 -4.310 9.415 -2.177 1.00 0.00 O ATOM 1098 CB GLU A 69 -4.700 12.583 -2.722 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.515 13.195 -3.848 1.00 0.00 C ATOM 1100 CD GLU A 69 -5.032 12.762 -5.219 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -3.998 13.291 -5.678 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -5.687 11.893 -5.833 1.00 0.00 O ATOM 0 H GLU A 69 -5.847 13.061 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.212 11.075 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.390 13.373 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.792 12.146 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.561 12.913 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.468 14.282 -3.777 1.00 0.00 H new ATOM 1109 N LEU A 70 -3.888 10.618 -0.319 1.00 0.00 N ATOM 1110 CA LEU A 70 -2.953 9.645 0.229 1.00 0.00 C ATOM 1111 C LEU A 70 -3.684 8.358 0.591 1.00 0.00 C ATOM 1112 O LEU A 70 -3.292 7.269 0.174 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.264 10.222 1.467 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.743 10.071 1.500 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.337 8.633 1.209 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.089 11.028 0.512 1.00 0.00 C ATOM 0 H LEU A 70 -4.029 11.443 0.263 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.198 9.420 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.509 11.282 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.680 9.739 2.352 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.396 10.324 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.749 8.549 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.772 7.973 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.697 8.346 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.994 10.906 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.444 10.810 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.348 12.054 0.774 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.755 8.487 1.365 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.542 7.329 1.771 1.00 0.00 C ATOM 1130 C ARG A 71 -6.075 6.595 0.547 1.00 0.00 C ATOM 1131 O ARG A 71 -6.144 5.366 0.523 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.704 7.761 2.666 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.279 8.130 4.077 1.00 0.00 C ATOM 1134 CD ARG A 71 -7.368 7.809 5.088 1.00 0.00 C ATOM 1135 NE ARG A 71 -7.548 8.885 6.059 1.00 0.00 N ATOM 1136 CZ ARG A 71 -8.182 8.737 7.220 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -8.697 7.560 7.557 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -8.301 9.766 8.047 1.00 0.00 N ATOM 0 H ARG A 71 -5.098 9.379 1.723 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.896 6.655 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.204 8.616 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.434 6.953 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.369 7.590 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.042 9.193 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.308 7.632 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.116 6.887 5.612 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.166 9.804 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.608 6.764 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.182 7.452 8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.907 10.672 7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.787 9.652 8.936 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.448 7.363 -0.471 1.00 0.00 N ATOM 1153 CA GLN A 72 -6.971 6.795 -1.705 1.00 0.00 C ATOM 1154 C GLN A 72 -5.866 6.094 -2.486 1.00 0.00 C ATOM 1155 O GLN A 72 -6.042 4.969 -2.955 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.612 7.888 -2.563 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.210 7.373 -3.861 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.492 6.593 -3.643 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.467 5.386 -3.401 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.624 7.282 -3.726 1.00 0.00 N ATOM 0 H GLN A 72 -6.397 8.382 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.732 6.058 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.393 8.381 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.861 8.644 -2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.409 8.215 -4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.483 6.736 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.599 8.281 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.519 6.812 -3.587 1.00 0.00 H new ATOM 1169 N GLU A 73 -4.722 6.761 -2.620 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.591 6.190 -3.341 1.00 0.00 C ATOM 1171 C GLU A 73 -3.002 5.006 -2.574 1.00 0.00 C ATOM 1172 O GLU A 73 -2.366 4.130 -3.157 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.522 7.261 -3.602 1.00 0.00 C ATOM 1174 CG GLU A 73 -1.583 7.510 -2.431 1.00 0.00 C ATOM 1175 CD GLU A 73 -0.625 8.657 -2.682 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -1.073 9.822 -2.655 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.575 8.390 -2.906 1.00 0.00 O ATOM 0 H GLU A 73 -4.556 7.693 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.947 5.823 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.932 6.964 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.018 8.197 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.171 7.722 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.013 6.603 -2.229 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.240 4.977 -1.264 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.752 3.890 -0.425 1.00 0.00 C ATOM 1186 C LEU A 74 -3.660 2.685 -0.560 1.00 0.00 C ATOM 1187 O LEU A 74 -3.194 1.573 -0.772 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.668 4.331 1.039 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.409 5.120 1.430 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.449 4.242 2.217 1.00 0.00 C ATOM 1191 CD2 LEU A 74 -0.713 5.694 0.202 1.00 0.00 C ATOM 0 H LEU A 74 -3.767 5.693 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.750 3.618 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.542 4.943 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.728 3.444 1.670 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.722 5.951 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.436 4.819 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.939 3.889 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.154 3.388 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.174 6.247 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.421 4.882 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.394 6.365 -0.322 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.961 2.908 -0.448 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.916 1.820 -0.584 1.00 0.00 C ATOM 1205 C ASN A 75 -5.909 1.300 -2.019 1.00 0.00 C ATOM 1206 O ASN A 75 -6.239 0.143 -2.273 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.321 2.284 -0.195 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.502 2.382 1.308 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.468 1.376 2.017 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.696 3.600 1.801 1.00 0.00 N ATOM 0 H ASN A 75 -5.376 3.822 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.624 1.013 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.517 3.257 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.056 1.590 -0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.824 3.730 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.717 4.406 1.176 1.00 0.00 H new ATOM 1217 N THR A 76 -5.526 2.171 -2.953 1.00 0.00 N ATOM 1218 CA THR A 76 -5.467 1.809 -4.366 1.00 0.00 C ATOM 1219 C THR A 76 -4.154 1.104 -4.694 1.00 0.00 C ATOM 1220 O THR A 76 -4.114 0.219 -5.548 1.00 0.00 O ATOM 1221 CB THR A 76 -5.626 3.054 -5.242 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.839 3.722 -4.947 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.620 2.750 -6.725 1.00 0.00 C ATOM 0 H THR A 76 -5.252 3.133 -2.754 1.00 0.00 H new ATOM 0 HA THR A 76 -6.288 1.122 -4.573 1.00 0.00 H new ATOM 0 HB THR A 76 -4.763 3.679 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.836 4.007 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.737 3.677 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.676 2.278 -6.996 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.443 2.076 -6.962 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.085 1.493 -4.006 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.777 0.883 -4.221 1.00 0.00 C ATOM 1233 C LEU A 77 -1.657 -0.407 -3.416 1.00 0.00 C ATOM 1234 O LEU A 77 -1.011 -1.364 -3.842 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.659 1.853 -3.822 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.296 2.917 -4.866 1.00 0.00 C ATOM 1237 CD1 LEU A 77 1.013 3.594 -4.496 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.200 2.305 -6.257 1.00 0.00 C ATOM 0 H LEU A 77 -3.098 2.226 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.677 0.651 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.953 2.359 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.236 1.273 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.088 3.665 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.258 4.346 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.913 4.072 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.809 2.850 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.058 3.080 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.569 1.533 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.159 1.863 -6.527 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.298 -0.421 -2.252 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.287 -1.589 -1.377 1.00 0.00 C ATOM 1252 C ALA A 78 -3.319 -2.624 -1.826 1.00 0.00 C ATOM 1253 O ALA A 78 -3.229 -3.799 -1.470 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.547 -1.173 0.063 1.00 0.00 C ATOM 0 H ALA A 78 -2.835 0.368 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.300 -2.048 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.536 -2.055 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.771 -0.479 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.520 -0.687 0.131 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.312 -2.171 -2.588 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.381 -3.051 -3.057 1.00 0.00 C ATOM 1262 C ASN A 79 -4.827 -4.206 -3.890 1.00 0.00 C ATOM 1263 O ASN A 79 -5.126 -5.368 -3.616 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.394 -2.258 -3.888 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.798 -2.340 -3.320 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.688 -2.942 -3.920 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.003 -1.733 -2.157 1.00 0.00 N ATOM 0 H ASN A 79 -4.399 -1.202 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.876 -3.467 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.084 -1.214 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.396 -2.636 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.927 -1.754 -1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.236 -1.245 -1.694 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.011 -3.916 -4.916 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.432 -4.960 -5.766 1.00 0.00 C ATOM 1276 C PRO A 80 -2.405 -5.810 -5.023 1.00 0.00 C ATOM 1277 O PRO A 80 -2.237 -6.995 -5.313 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.761 -4.174 -6.896 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.486 -2.829 -6.318 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.588 -2.564 -5.329 1.00 0.00 C ATOM 0 HA PRO A 80 -4.187 -5.665 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.841 -4.659 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.411 -4.104 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.512 -2.807 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.470 -2.066 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.234 -1.977 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.409 -2.007 -5.782 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.717 -5.194 -4.067 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.697 -5.881 -3.282 1.00 0.00 C ATOM 1290 C PHE A 81 -1.319 -6.872 -2.303 1.00 0.00 C ATOM 1291 O PHE A 81 -0.863 -8.010 -2.180 1.00 0.00 O ATOM 1292 CB PHE A 81 0.145 -4.855 -2.514 1.00 0.00 C ATOM 1293 CG PHE A 81 1.230 -5.457 -1.658 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.659 -6.761 -1.854 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.818 -4.712 -0.651 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.654 -7.306 -1.064 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.814 -5.252 0.142 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.232 -6.550 -0.065 1.00 0.00 C ATOM 0 H PHE A 81 -1.849 -4.214 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.062 -6.439 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.601 -4.169 -3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.515 -4.263 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.210 -7.358 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.495 -3.695 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.979 -8.323 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.264 -4.658 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.010 -6.973 0.553 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.351 -6.431 -1.595 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.017 -7.275 -0.612 1.00 0.00 C ATOM 1310 C LEU A 82 -3.798 -8.409 -1.268 1.00 0.00 C ATOM 1311 O LEU A 82 -3.793 -9.538 -0.770 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.952 -6.435 0.264 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.388 -6.047 1.632 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.447 -5.339 2.464 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.872 -7.275 2.365 1.00 0.00 C ATOM 0 H LEU A 82 -2.745 -5.494 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.242 -7.723 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.210 -5.524 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.878 -6.989 0.415 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.554 -5.362 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.028 -5.070 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.773 -4.436 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.300 -6.002 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.475 -6.979 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.688 -7.983 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.083 -7.744 1.778 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.462 -8.125 -2.384 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.229 -9.148 -3.079 1.00 0.00 C ATOM 1329 C ALA A 83 -4.299 -10.108 -3.802 1.00 0.00 C ATOM 1330 O ALA A 83 -4.567 -11.306 -3.889 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.201 -8.510 -4.060 1.00 0.00 C ATOM 0 H ALA A 83 -4.484 -7.204 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.802 -9.710 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.766 -9.289 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.888 -7.858 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.646 -7.924 -4.793 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.196 -9.573 -4.313 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.220 -10.382 -5.019 1.00 0.00 C ATOM 1339 C LYS A 84 -1.542 -11.352 -4.059 1.00 0.00 C ATOM 1340 O LYS A 84 -1.268 -12.495 -4.416 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.172 -9.491 -5.691 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.088 -10.270 -6.423 1.00 0.00 C ATOM 1343 CD LYS A 84 -0.246 -10.163 -7.932 1.00 0.00 C ATOM 1344 CE LYS A 84 -0.933 -11.390 -8.508 1.00 0.00 C ATOM 1345 NZ LYS A 84 0.049 -12.416 -8.956 1.00 0.00 N ATOM 0 H LYS A 84 -2.959 -8.583 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.739 -10.953 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.671 -8.828 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.706 -8.859 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.892 -9.893 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.128 -11.318 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.825 -9.272 -8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.734 -10.043 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.593 -11.823 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.559 -11.094 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.459 -13.237 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.663 -12.011 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.630 -12.717 -8.147 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.276 -10.894 -2.837 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.630 -11.741 -1.842 1.00 0.00 C ATOM 1361 C TYR A 85 -1.573 -12.827 -1.348 1.00 0.00 C ATOM 1362 O TYR A 85 -1.183 -13.988 -1.220 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.129 -10.917 -0.656 1.00 0.00 C ATOM 1364 CG TYR A 85 0.963 -11.617 0.124 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.126 -12.046 -0.507 1.00 0.00 C ATOM 1366 CD2 TYR A 85 0.828 -11.862 1.485 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.121 -12.697 0.197 1.00 0.00 C ATOM 1368 CE2 TYR A 85 1.819 -12.514 2.195 1.00 0.00 C ATOM 1369 CZ TYR A 85 2.962 -12.928 1.547 1.00 0.00 C ATOM 1370 OH TYR A 85 3.949 -13.578 2.251 1.00 0.00 O ATOM 0 H TYR A 85 -1.496 -9.951 -2.516 1.00 0.00 H new ATOM 0 HA TYR A 85 0.224 -12.213 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.245 -9.959 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.965 -10.702 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.253 -11.867 -1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.066 -11.538 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.018 -13.023 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.698 -12.698 3.252 1.00 0.00 H new ATOM 0 HH TYR A 85 3.681 -13.660 3.190 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.813 -12.449 -1.068 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.803 -13.402 -0.583 1.00 0.00 C ATOM 1382 C ARG A 86 -4.018 -14.527 -1.589 1.00 0.00 C ATOM 1383 O ARG A 86 -3.888 -15.705 -1.251 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.128 -12.694 -0.290 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.639 -12.925 1.121 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.440 -14.214 1.221 1.00 0.00 C ATOM 1387 NE ARG A 86 -5.819 -15.174 2.128 1.00 0.00 N ATOM 1388 CZ ARG A 86 -6.466 -16.195 2.683 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.753 -16.394 2.426 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -5.825 -17.021 3.498 1.00 0.00 N ATOM 0 H ARG A 86 -3.157 -11.494 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.425 -13.839 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.002 -11.623 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.879 -13.038 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.797 -12.964 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.262 -12.084 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.449 -13.988 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.535 -14.660 0.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.830 -15.055 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.252 -15.762 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.243 -17.179 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.836 -16.873 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.321 -17.804 3.924 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.338 -14.163 -2.826 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.558 -15.152 -3.872 1.00 0.00 C ATOM 1406 C ASP A 87 -3.284 -15.949 -4.120 1.00 0.00 C ATOM 1407 O ASP A 87 -3.325 -17.154 -4.352 1.00 0.00 O ATOM 1408 CB ASP A 87 -5.016 -14.476 -5.166 1.00 0.00 C ATOM 1409 CG ASP A 87 -5.781 -15.421 -6.071 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -5.168 -16.385 -6.576 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -6.993 -15.199 -6.273 1.00 0.00 O ATOM 0 H ASP A 87 -4.450 -13.195 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.342 -15.833 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.646 -13.620 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.147 -14.091 -5.699 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.153 -15.257 -4.069 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.853 -15.881 -4.285 1.00 0.00 C ATOM 1418 C PHE A 88 -0.549 -16.910 -3.197 1.00 0.00 C ATOM 1419 O PHE A 88 -0.022 -17.987 -3.476 1.00 0.00 O ATOM 1420 CB PHE A 88 0.235 -14.805 -4.308 1.00 0.00 C ATOM 1421 CG PHE A 88 1.608 -15.321 -4.624 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.362 -15.978 -3.663 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.151 -15.139 -5.887 1.00 0.00 C ATOM 1424 CE1 PHE A 88 3.626 -16.443 -3.958 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.415 -15.605 -6.185 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.153 -16.257 -5.219 1.00 0.00 C ATOM 0 H PHE A 88 -2.110 -14.256 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.874 -16.400 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.034 -14.048 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.260 -14.310 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.955 -16.127 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.578 -14.627 -6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.204 -16.953 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.826 -15.460 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.143 -16.622 -5.450 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.871 -16.562 -1.954 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.620 -17.445 -0.820 1.00 0.00 C ATOM 1438 C LEU A 89 -1.600 -18.617 -0.765 1.00 0.00 C ATOM 1439 O LEU A 89 -1.242 -19.710 -0.324 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.692 -16.653 0.487 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.074 -17.350 1.699 1.00 0.00 C ATOM 1442 CD1 LEU A 89 1.443 -17.374 1.583 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -0.501 -16.661 2.985 1.00 0.00 C ATOM 0 H LEU A 89 -1.307 -15.674 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 89 0.380 -17.859 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.191 -15.696 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.738 -16.436 0.706 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.433 -18.379 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.867 -17.874 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.730 -17.913 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.820 -16.353 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.052 -17.171 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.171 -15.622 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.587 -16.695 3.073 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.835 -18.387 -1.198 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.858 -19.431 -1.177 1.00 0.00 C ATOM 1457 C LYS A 90 -3.876 -20.244 -2.471 1.00 0.00 C ATOM 1458 O LYS A 90 -4.433 -21.341 -2.516 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.235 -18.808 -0.939 1.00 0.00 C ATOM 1460 CG LYS A 90 -6.228 -19.757 -0.286 1.00 0.00 C ATOM 1461 CD LYS A 90 -6.214 -19.619 1.227 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.752 -20.868 1.904 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.123 -22.106 1.368 1.00 0.00 N ATOM 0 H LYS A 90 -3.153 -17.491 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.613 -20.112 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.121 -17.925 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.641 -18.470 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.230 -19.553 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.987 -20.784 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.196 -19.429 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.814 -18.757 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.572 -20.805 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.832 -20.920 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.015 -22.801 2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.725 -22.506 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.188 -21.878 0.974 1.00 0.00 H new ATOM 1477 N SER A 91 -3.290 -19.693 -3.526 1.00 0.00 N ATOM 1478 CA SER A 91 -3.262 -20.353 -4.828 1.00 0.00 C ATOM 1479 C SER A 91 -2.714 -21.777 -4.753 1.00 0.00 C ATOM 1480 O SER A 91 -3.298 -22.700 -5.319 1.00 0.00 O ATOM 1481 CB SER A 91 -2.422 -19.537 -5.814 1.00 0.00 C ATOM 1482 OG SER A 91 -1.102 -19.355 -5.331 1.00 0.00 O ATOM 0 H SER A 91 -2.825 -18.785 -3.506 1.00 0.00 H new ATOM 0 HA SER A 91 -4.294 -20.414 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.393 -20.044 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.890 -18.566 -5.978 1.00 0.00 H new ATOM 0 HG SER A 91 -1.134 -19.031 -4.407 1.00 0.00 H new ATOM 1488 N HIS A 92 -1.576 -21.951 -4.089 1.00 0.00 N ATOM 1489 CA HIS A 92 -0.946 -23.267 -3.992 1.00 0.00 C ATOM 1490 C HIS A 92 -1.506 -24.110 -2.848 1.00 0.00 C ATOM 1491 O HIS A 92 -1.307 -23.802 -1.673 1.00 0.00 O ATOM 1492 CB HIS A 92 0.570 -23.117 -3.828 1.00 0.00 C ATOM 1493 CG HIS A 92 0.971 -22.179 -2.728 1.00 0.00 C ATOM 1494 ND1 HIS A 92 1.529 -22.603 -1.541 1.00 0.00 N ATOM 1495 CD2 HIS A 92 0.892 -20.829 -2.638 1.00 0.00 C ATOM 1496 CE1 HIS A 92 1.772 -21.556 -0.771 1.00 0.00 C ATOM 1497 NE2 HIS A 92 1.393 -20.467 -1.413 1.00 0.00 N ATOM 0 H HIS A 92 -1.072 -21.203 -3.612 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.172 -23.791 -4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 92 1.004 -24.098 -3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.994 -22.763 -4.767 1.00 0.00 H new ATOM 0 HD1 HIS A 92 1.724 -23.573 -1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.505 -20.160 -3.393 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.207 -21.587 0.217 1.00 0.00 H new ATOM 1506 N GLU A 93 -2.194 -25.188 -3.215 1.00 0.00 N ATOM 1507 CA GLU A 93 -2.777 -26.108 -2.243 1.00 0.00 C ATOM 1508 C GLU A 93 -2.467 -27.554 -2.624 1.00 0.00 C ATOM 1509 O GLU A 93 -2.522 -27.917 -3.799 1.00 0.00 O ATOM 1510 CB GLU A 93 -4.291 -25.914 -2.154 1.00 0.00 C ATOM 1511 CG GLU A 93 -4.954 -26.811 -1.120 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.191 -27.506 -1.654 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -7.174 -26.805 -1.975 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.177 -28.751 -1.752 1.00 0.00 O ATOM 0 H GLU A 93 -2.362 -25.447 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.337 -25.892 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.503 -24.873 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.733 -26.109 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.238 -27.561 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.225 -26.215 -0.249 1.00 0.00 H new ATOM 1521 N LEU A 94 -2.145 -28.379 -1.629 1.00 0.00 N ATOM 1522 CA LEU A 94 -1.831 -29.783 -1.877 1.00 0.00 C ATOM 1523 C LEU A 94 -3.026 -30.677 -1.545 1.00 0.00 C ATOM 1524 O LEU A 94 -3.954 -30.255 -0.855 1.00 0.00 O ATOM 1525 CB LEU A 94 -0.602 -30.231 -1.069 1.00 0.00 C ATOM 1526 CG LEU A 94 -0.300 -29.447 0.218 1.00 0.00 C ATOM 1527 CD1 LEU A 94 0.195 -28.042 -0.100 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -1.518 -29.406 1.135 1.00 0.00 C ATOM 0 H LEU A 94 -2.095 -28.101 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.602 -29.883 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.732 -31.281 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.272 -30.171 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 94 0.497 -29.969 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.401 -27.510 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.107 -28.103 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.569 -27.506 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.275 -28.845 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.346 -28.921 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.804 -30.422 1.406 1.00 0.00 H new ATOM 1540 N PRO A 95 -3.022 -31.928 -2.042 1.00 0.00 N ATOM 1541 CA PRO A 95 -4.109 -32.879 -1.803 1.00 0.00 C ATOM 1542 C PRO A 95 -3.976 -33.605 -0.466 1.00 0.00 C ATOM 1543 O PRO A 95 -3.099 -34.451 -0.292 1.00 0.00 O ATOM 1544 CB PRO A 95 -3.951 -33.860 -2.959 1.00 0.00 C ATOM 1545 CG PRO A 95 -2.485 -33.888 -3.226 1.00 0.00 C ATOM 1546 CD PRO A 95 -1.960 -32.512 -2.886 1.00 0.00 C ATOM 0 HA PRO A 95 -5.082 -32.390 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.325 -34.849 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.508 -33.532 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.995 -34.651 -2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.285 -34.132 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.011 -32.567 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.789 -31.916 -3.783 1.00 0.00 H new ATOM 1554 N SER A 96 -4.859 -33.274 0.472 1.00 0.00 N ATOM 1555 CA SER A 96 -4.850 -33.898 1.791 1.00 0.00 C ATOM 1556 C SER A 96 -6.183 -34.589 2.064 1.00 0.00 C ATOM 1557 O SER A 96 -6.230 -35.789 2.334 1.00 0.00 O ATOM 1558 CB SER A 96 -4.573 -32.851 2.871 1.00 0.00 C ATOM 1559 OG SER A 96 -4.667 -33.416 4.168 1.00 0.00 O ATOM 0 H SER A 96 -5.591 -32.576 0.342 1.00 0.00 H new ATOM 0 HA SER A 96 -4.058 -34.646 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.578 -32.430 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.284 -32.030 2.776 1.00 0.00 H new ATOM 0 HG SER A 96 -4.485 -32.726 4.839 1.00 0.00 H new ATOM 1565 N HIS A 97 -7.265 -33.821 1.983 1.00 0.00 N ATOM 1566 CA HIS A 97 -8.604 -34.354 2.211 1.00 0.00 C ATOM 1567 C HIS A 97 -9.672 -33.408 1.655 1.00 0.00 C ATOM 1568 O HIS A 97 -10.664 -33.121 2.323 1.00 0.00 O ATOM 1569 CB HIS A 97 -8.836 -34.588 3.705 1.00 0.00 C ATOM 1570 CG HIS A 97 -8.360 -33.462 4.569 1.00 0.00 C ATOM 1571 ND1 HIS A 97 -9.077 -32.298 4.754 1.00 0.00 N ATOM 1572 CD2 HIS A 97 -7.231 -33.325 5.304 1.00 0.00 C ATOM 1573 CE1 HIS A 97 -8.410 -31.495 5.563 1.00 0.00 C ATOM 1574 NE2 HIS A 97 -7.286 -32.095 5.911 1.00 0.00 N ATOM 0 H HIS A 97 -7.241 -32.826 1.761 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.683 -35.306 1.687 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -9.901 -34.743 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.327 -35.504 4.004 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -9.982 -32.090 4.332 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.435 -34.049 5.396 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.729 -30.515 5.885 1.00 0.00 H new ATOM 1583 N PRO A 98 -9.479 -32.905 0.420 1.00 0.00 N ATOM 1584 CA PRO A 98 -10.421 -31.988 -0.221 1.00 0.00 C ATOM 1585 C PRO A 98 -11.878 -32.441 -0.089 1.00 0.00 C ATOM 1586 O PRO A 98 -12.716 -31.700 0.423 1.00 0.00 O ATOM 1587 CB PRO A 98 -9.994 -31.974 -1.698 1.00 0.00 C ATOM 1588 CG PRO A 98 -8.867 -32.952 -1.826 1.00 0.00 C ATOM 1589 CD PRO A 98 -8.326 -33.183 -0.445 1.00 0.00 C ATOM 0 HA PRO A 98 -10.389 -31.005 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.826 -32.254 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.677 -30.976 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.216 -33.887 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.091 -32.561 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.966 -34.204 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -7.489 -32.521 -0.225 1.00 0.00 H new ATOM 1597 N PRO A 99 -12.206 -33.662 -0.552 1.00 0.00 N ATOM 1598 CA PRO A 99 -13.574 -34.189 -0.482 1.00 0.00 C ATOM 1599 C PRO A 99 -14.105 -34.239 0.951 1.00 0.00 C ATOM 1600 O PRO A 99 -13.612 -35.010 1.775 1.00 0.00 O ATOM 1601 CB PRO A 99 -13.454 -35.607 -1.058 1.00 0.00 C ATOM 1602 CG PRO A 99 -12.000 -35.929 -1.016 1.00 0.00 C ATOM 1603 CD PRO A 99 -11.285 -34.621 -1.183 1.00 0.00 C ATOM 0 HA PRO A 99 -14.276 -33.557 -1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.032 -36.320 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.837 -35.651 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.732 -36.403 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.731 -36.626 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.311 -34.627 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -11.113 -34.385 -2.233 1.00 0.00 H new ATOM 1611 N PRO A 100 -15.124 -33.416 1.269 1.00 0.00 N ATOM 1612 CA PRO A 100 -15.715 -33.378 2.609 1.00 0.00 C ATOM 1613 C PRO A 100 -16.619 -34.576 2.877 1.00 0.00 C ATOM 1614 O PRO A 100 -17.711 -34.677 2.316 1.00 0.00 O ATOM 1615 CB PRO A 100 -16.530 -32.086 2.593 1.00 0.00 C ATOM 1616 CG PRO A 100 -16.914 -31.903 1.166 1.00 0.00 C ATOM 1617 CD PRO A 100 -15.777 -32.461 0.351 1.00 0.00 C ATOM 0 HA PRO A 100 -14.959 -33.414 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.409 -32.163 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.943 -31.243 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -17.845 -32.424 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.076 -30.849 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.136 -32.955 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.090 -31.677 0.033 1.00 0.00 H new ATOM 1625 N SER A 101 -16.153 -35.483 3.738 1.00 0.00 N ATOM 1626 CA SER A 101 -16.906 -36.690 4.098 1.00 0.00 C ATOM 1627 C SER A 101 -16.657 -37.825 3.105 1.00 0.00 C ATOM 1628 O SER A 101 -16.757 -39.000 3.460 1.00 0.00 O ATOM 1629 CB SER A 101 -18.408 -36.396 4.189 1.00 0.00 C ATOM 1630 OG SER A 101 -18.988 -37.043 5.308 1.00 0.00 O ATOM 0 H SER A 101 -15.249 -35.404 4.204 1.00 0.00 H new ATOM 0 HA SER A 101 -16.550 -37.009 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.567 -35.320 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.903 -36.728 3.276 1.00 0.00 H new ATOM 0 HG SER A 101 -19.946 -36.838 5.344 1.00 0.00 H new ATOM 1636 N SER A 102 -16.333 -37.476 1.863 1.00 0.00 N ATOM 1637 CA SER A 102 -16.073 -38.475 0.833 1.00 0.00 C ATOM 1638 C SER A 102 -14.588 -38.532 0.492 1.00 0.00 C ATOM 1639 O SER A 102 -13.772 -38.097 1.330 1.00 0.00 O ATOM 1640 CB SER A 102 -16.885 -38.164 -0.426 1.00 0.00 C ATOM 1641 OG SER A 102 -17.275 -39.354 -1.090 1.00 0.00 O ATOM 1642 OXT SER A 102 -14.254 -39.014 -0.612 1.00 0.00 O ATOM 0 H SER A 102 -16.245 -36.510 1.547 1.00 0.00 H new ATOM 0 HA SER A 102 -16.376 -39.447 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 102 -17.770 -37.587 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 102 -16.293 -37.545 -1.100 1.00 0.00 H new ATOM 0 HG SER A 102 -17.794 -39.127 -1.890 1.00 0.00 H new TER 1648 SER A 102