USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 944 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 82 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Set 2.1: A 58 ASN : amide:sc= -3.43! C(o=-4.6!,f=-5.2!) USER MOD Set 2.2: A 90 ASN : amide:sc= -1.17 X(o=-4.6,f=-4.4) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 ASN : amide:sc= -0.906 X(o=-0.91,f=-0.75) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 154:sc= 0.263 (180deg=-1.49) USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.377 USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0.513 USER MOD Set 5.2: A 32 LYS NZ :NH3+ -117:sc= 0.69 (180deg=0.283) USER MOD Set 6.1: A 8 THR OG1 : rot 106:sc= 0.686 USER MOD Set 6.2: A 78 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 5 SER OG : rot 45:sc= 0.146 USER MOD Single : A 11 TYR OH : rot -7:sc= 1.4 USER MOD Single : A 15 SER OG : rot 70:sc= 0.278 USER MOD Single : A 21 THR OG1 : rot -18:sc= 1.47 USER MOD Single : A 24 SER OG : rot 50:sc= -0.489 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.21! C(o=-2!,f=-1.2!) USER MOD Single : A 26 SER OG : rot 34:sc= 0.556 USER MOD Single : A 29 ASN : amide:sc= -0.479 K(o=-0.48,f=-5.3!) USER MOD Single : A 30 GLN : amide:sc= -7.03 K(o=-7,f=-12!) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 45 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.055) USER MOD Single : A 48 HIS : no HE2:sc= -8.45! C(o=-8.5!,f=-11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 140:sc= -0.112 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= 0.0599 (180deg=0.0214) USER MOD Single : A 75 ASN : amide:sc= 0.0897 K(o=0.09,f=-1.8!) USER MOD Single : A 84 MET CE :methyl 134:sc= -3.59 (180deg=-7.86!) USER MOD Single : A 85 SER OG : rot 94:sc= 0.00459 USER MOD Single : A 91 TYR OH : rot 141:sc= 0.255 USER MOD Single : A 93 GLN : amide:sc= -1.03 K(o=-1,f=-2.5!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 5:sc= 0.539 USER MOD Single : A 104 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.1) USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= -6.63! (180deg=-8.03!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 114 ASN : amide:sc= 0.307 X(o=0.31,f=-0.022) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.303 0.505 23.234 1.00 0.00 N ATOM 2 CA GLY A 1 12.665 0.730 23.794 1.00 0.00 C ATOM 3 C GLY A 1 13.734 0.833 22.718 1.00 0.00 C ATOM 4 O GLY A 1 14.069 1.933 22.276 1.00 0.00 O ATOM 0 H1 GLY A 1 10.614 0.443 24.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.049 1.297 22.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.293 -0.382 22.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.663 1.645 24.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.914 -0.087 24.471 1.00 0.00 H new ATOM 10 N SER A 2 14.273 -0.316 22.304 1.00 0.00 N ATOM 11 CA SER A 2 15.315 -0.361 21.277 1.00 0.00 C ATOM 12 C SER A 2 14.883 -1.226 20.091 1.00 0.00 C ATOM 13 O SER A 2 14.776 -0.739 18.965 1.00 0.00 O ATOM 14 CB SER A 2 16.616 -0.903 21.873 1.00 0.00 C ATOM 15 OG SER A 2 17.744 -0.441 21.151 1.00 0.00 O ATOM 0 H SER A 2 14.003 -1.231 22.666 1.00 0.00 H new ATOM 0 HA SER A 2 15.479 0.654 20.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.697 -0.595 22.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.597 -1.993 21.864 1.00 0.00 H new ATOM 0 HG SER A 2 18.561 -0.801 21.555 1.00 0.00 H new ATOM 21 N ARG A 3 14.634 -2.510 20.357 1.00 0.00 N ATOM 22 CA ARG A 3 14.209 -3.451 19.322 1.00 0.00 C ATOM 23 C ARG A 3 12.777 -3.917 19.572 1.00 0.00 C ATOM 24 O ARG A 3 12.396 -4.186 20.712 1.00 0.00 O ATOM 25 CB ARG A 3 15.144 -4.660 19.286 1.00 0.00 C ATOM 26 CG ARG A 3 14.991 -5.518 18.040 1.00 0.00 C ATOM 27 CD ARG A 3 15.691 -4.898 16.843 1.00 0.00 C ATOM 28 NE ARG A 3 17.024 -5.463 16.631 1.00 0.00 N ATOM 29 CZ ARG A 3 17.275 -6.542 15.883 1.00 0.00 C ATOM 30 NH1 ARG A 3 16.287 -7.186 15.267 1.00 0.00 N ATOM 31 NH2 ARG A 3 18.523 -6.978 15.751 1.00 0.00 N ATOM 0 H ARG A 3 14.720 -2.922 21.286 1.00 0.00 H new ATOM 0 HA ARG A 3 14.250 -2.938 18.361 1.00 0.00 H new ATOM 0 HB2 ARG A 3 16.175 -4.312 19.352 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.959 -5.277 20.165 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.402 -6.510 18.228 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.932 -5.648 17.815 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.086 -5.053 15.950 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.773 -3.821 16.990 1.00 0.00 H new ATOM 0 HE ARG A 3 17.814 -5.003 17.084 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.326 -6.857 15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.490 -8.008 14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.286 -6.490 16.220 1.00 0.00 H new ATOM 0 HH22 ARG A 3 18.718 -7.801 15.181 1.00 0.00 H new ATOM 45 N THR A 4 11.988 -4.014 18.501 1.00 0.00 N ATOM 46 CA THR A 4 10.597 -4.451 18.612 1.00 0.00 C ATOM 47 C THR A 4 10.056 -4.949 17.265 1.00 0.00 C ATOM 48 O THR A 4 10.796 -5.048 16.286 1.00 0.00 O ATOM 49 CB THR A 4 9.731 -3.309 19.151 1.00 0.00 C ATOM 50 OG1 THR A 4 8.438 -3.772 19.503 1.00 0.00 O ATOM 51 CG2 THR A 4 9.564 -2.182 18.164 1.00 0.00 C ATOM 0 H THR A 4 12.288 -3.797 17.551 1.00 0.00 H new ATOM 0 HA THR A 4 10.558 -5.287 19.310 1.00 0.00 H new ATOM 0 HB THR A 4 10.259 -2.934 20.027 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.905 -3.025 19.846 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.941 -1.403 18.603 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.541 -1.768 17.916 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.089 -2.559 17.258 1.00 0.00 H new ATOM 59 N SER A 5 8.760 -5.266 17.232 1.00 0.00 N ATOM 60 CA SER A 5 8.107 -5.762 16.020 1.00 0.00 C ATOM 61 C SER A 5 7.398 -4.638 15.266 1.00 0.00 C ATOM 62 O SER A 5 6.402 -4.093 15.742 1.00 0.00 O ATOM 63 CB SER A 5 7.101 -6.859 16.374 1.00 0.00 C ATOM 64 OG SER A 5 6.278 -6.473 17.462 1.00 0.00 O ATOM 0 H SER A 5 8.139 -5.187 18.037 1.00 0.00 H new ATOM 0 HA SER A 5 8.881 -6.172 15.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.480 -7.079 15.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.634 -7.776 16.626 1.00 0.00 H new ATOM 0 HG SER A 5 5.976 -5.550 17.333 1.00 0.00 H new ATOM 70 N ARG A 6 7.904 -4.318 14.074 1.00 0.00 N ATOM 71 CA ARG A 6 7.300 -3.281 13.231 1.00 0.00 C ATOM 72 C ARG A 6 6.109 -3.885 12.473 1.00 0.00 C ATOM 73 O ARG A 6 5.481 -4.809 12.991 1.00 0.00 O ATOM 74 CB ARG A 6 8.344 -2.651 12.290 1.00 0.00 C ATOM 75 CG ARG A 6 9.336 -3.621 11.669 1.00 0.00 C ATOM 76 CD ARG A 6 8.683 -4.509 10.624 1.00 0.00 C ATOM 77 NE ARG A 6 8.231 -5.778 11.188 1.00 0.00 N ATOM 78 CZ ARG A 6 8.983 -6.879 11.254 1.00 0.00 C ATOM 79 NH1 ARG A 6 10.244 -6.865 10.830 1.00 0.00 N ATOM 80 NH2 ARG A 6 8.473 -7.998 11.754 1.00 0.00 N ATOM 0 H ARG A 6 8.729 -4.760 13.670 1.00 0.00 H new ATOM 0 HA ARG A 6 6.930 -2.467 13.855 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.818 -2.133 11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.900 -1.896 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.152 -3.062 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.774 -4.242 12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.835 -3.986 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.392 -4.702 9.819 1.00 0.00 H new ATOM 0 HE ARG A 6 7.280 -5.826 11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.645 -6.007 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.810 -7.712 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.509 -8.015 12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.045 -8.841 11.806 1.00 0.00 H new ATOM 94 N ILE A 7 5.761 -3.385 11.277 1.00 0.00 N ATOM 95 CA ILE A 7 4.609 -3.949 10.570 1.00 0.00 C ATOM 96 C ILE A 7 4.707 -3.920 9.040 1.00 0.00 C ATOM 97 O ILE A 7 5.611 -3.327 8.463 1.00 0.00 O ATOM 98 CB ILE A 7 3.297 -3.244 10.978 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.187 -1.844 10.353 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.161 -3.167 12.492 1.00 0.00 C ATOM 101 CD1 ILE A 7 1.970 -1.673 9.458 1.00 0.00 C ATOM 0 H ILE A 7 6.240 -2.623 10.798 1.00 0.00 H new ATOM 0 HA ILE A 7 4.608 -4.995 10.875 1.00 0.00 H new ATOM 0 HB ILE A 7 2.475 -3.847 10.591 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.149 -1.101 11.150 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.087 -1.643 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.228 -2.666 12.748 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.158 -4.174 12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.000 -2.606 12.905 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.957 -0.662 9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.016 -2.392 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.064 -1.842 10.040 1.00 0.00 H new ATOM 113 N THR A 8 3.712 -4.562 8.408 1.00 0.00 N ATOM 114 CA THR A 8 3.582 -4.629 6.948 1.00 0.00 C ATOM 115 C THR A 8 2.416 -3.734 6.534 1.00 0.00 C ATOM 116 O THR A 8 1.433 -3.639 7.273 1.00 0.00 O ATOM 117 CB THR A 8 3.329 -6.082 6.511 1.00 0.00 C ATOM 118 OG1 THR A 8 4.550 -6.786 6.394 1.00 0.00 O ATOM 119 CG2 THR A 8 2.598 -6.225 5.190 1.00 0.00 C ATOM 0 H THR A 8 2.968 -5.054 8.904 1.00 0.00 H new ATOM 0 HA THR A 8 4.499 -4.287 6.468 1.00 0.00 H new ATOM 0 HB THR A 8 2.691 -6.494 7.293 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.648 -7.399 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.463 -7.282 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.623 -5.742 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.181 -5.754 4.399 1.00 0.00 H new ATOM 127 N ALA A 9 2.504 -3.059 5.384 1.00 0.00 N ATOM 128 CA ALA A 9 1.415 -2.179 4.987 1.00 0.00 C ATOM 129 C ALA A 9 0.625 -2.698 3.808 1.00 0.00 C ATOM 130 O ALA A 9 1.125 -2.784 2.693 1.00 0.00 O ATOM 131 CB ALA A 9 1.918 -0.777 4.695 1.00 0.00 C ATOM 0 H ALA A 9 3.290 -3.104 4.736 1.00 0.00 H new ATOM 0 HA ALA A 9 0.737 -2.149 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.081 -0.144 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.388 -0.366 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.647 -0.813 3.885 1.00 0.00 H new ATOM 137 N LEU A 10 -0.634 -2.999 4.073 1.00 0.00 N ATOM 138 CA LEU A 10 -1.550 -3.461 3.051 1.00 0.00 C ATOM 139 C LEU A 10 -2.584 -2.367 2.815 1.00 0.00 C ATOM 140 O LEU A 10 -3.503 -2.196 3.614 1.00 0.00 O ATOM 141 CB LEU A 10 -2.219 -4.748 3.523 1.00 0.00 C ATOM 142 CG LEU A 10 -2.797 -5.643 2.436 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.527 -7.104 2.766 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.285 -5.390 2.299 1.00 0.00 C ATOM 0 H LEU A 10 -1.048 -2.929 5.003 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.025 -3.670 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.489 -5.326 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.021 -4.484 4.212 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.317 -5.411 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.944 -7.737 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.452 -7.269 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.992 -7.353 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.693 -6.033 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.780 -5.608 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.454 -4.346 2.033 1.00 0.00 H new ATOM 156 N TYR A 11 -2.420 -1.614 1.731 1.00 0.00 N ATOM 157 CA TYR A 11 -3.336 -0.519 1.423 1.00 0.00 C ATOM 158 C TYR A 11 -4.115 -0.813 0.145 1.00 0.00 C ATOM 159 O TYR A 11 -3.521 -1.095 -0.899 1.00 0.00 O ATOM 160 CB TYR A 11 -2.557 0.804 1.338 1.00 0.00 C ATOM 161 CG TYR A 11 -3.370 1.985 0.853 1.00 0.00 C ATOM 162 CD1 TYR A 11 -4.508 2.398 1.536 1.00 0.00 C ATOM 163 CD2 TYR A 11 -2.991 2.694 -0.279 1.00 0.00 C ATOM 164 CE1 TYR A 11 -5.245 3.482 1.103 1.00 0.00 C ATOM 165 CE2 TYR A 11 -3.722 3.781 -0.717 1.00 0.00 C ATOM 166 CZ TYR A 11 -4.848 4.171 -0.023 1.00 0.00 C ATOM 167 OH TYR A 11 -5.577 5.255 -0.455 1.00 0.00 O ATOM 0 H TYR A 11 -1.667 -1.740 1.055 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.068 -0.423 2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.155 1.037 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.706 0.667 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.821 1.862 2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.110 2.391 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.128 3.789 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.413 4.323 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.397 5.330 0.076 1.00 0.00 H new ATOM 177 N GLU A 12 -5.454 -0.791 0.239 1.00 0.00 N ATOM 178 CA GLU A 12 -6.294 -1.109 -0.916 1.00 0.00 C ATOM 179 C GLU A 12 -7.359 -0.043 -1.194 1.00 0.00 C ATOM 180 O GLU A 12 -7.694 0.760 -0.324 1.00 0.00 O ATOM 181 CB GLU A 12 -6.955 -2.471 -0.686 1.00 0.00 C ATOM 182 CG GLU A 12 -7.471 -3.141 -1.949 1.00 0.00 C ATOM 183 CD GLU A 12 -6.368 -3.595 -2.889 1.00 0.00 C ATOM 184 OE1 GLU A 12 -5.500 -2.768 -3.238 1.00 0.00 O ATOM 185 OE2 GLU A 12 -6.377 -4.781 -3.282 1.00 0.00 O ATOM 0 H GLU A 12 -5.967 -0.560 1.090 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.652 -1.136 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.235 -3.134 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.785 -2.345 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.078 -4.003 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.125 -2.447 -2.477 1.00 0.00 H new ATOM 192 N ARG A 13 -7.889 -0.063 -2.428 1.00 0.00 N ATOM 193 CA ARG A 13 -8.926 0.875 -2.862 1.00 0.00 C ATOM 194 C ARG A 13 -9.769 0.278 -4.001 1.00 0.00 C ATOM 195 O ARG A 13 -9.252 -0.016 -5.079 1.00 0.00 O ATOM 196 CB ARG A 13 -8.310 2.215 -3.290 1.00 0.00 C ATOM 197 CG ARG A 13 -9.321 3.206 -3.847 1.00 0.00 C ATOM 198 CD ARG A 13 -8.637 4.430 -4.438 1.00 0.00 C ATOM 199 NE ARG A 13 -8.881 4.561 -5.876 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.989 4.260 -6.828 1.00 0.00 C ATOM 201 NH1 ARG A 13 -6.791 3.768 -6.513 1.00 0.00 N ATOM 202 NH2 ARG A 13 -8.307 4.444 -8.105 1.00 0.00 N ATOM 0 H ARG A 13 -7.609 -0.729 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.585 1.059 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.809 2.664 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.545 2.028 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.924 2.720 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.002 3.516 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.994 5.325 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.564 4.367 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.794 4.906 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.543 3.616 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.122 3.544 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.225 4.812 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.633 4.217 -8.836 1.00 0.00 H new ATOM 216 N LEU A 14 -11.076 0.115 -3.748 1.00 0.00 N ATOM 217 CA LEU A 14 -12.013 -0.431 -4.727 1.00 0.00 C ATOM 218 C LEU A 14 -12.901 0.701 -5.263 1.00 0.00 C ATOM 219 O LEU A 14 -13.250 1.627 -4.527 1.00 0.00 O ATOM 220 CB LEU A 14 -12.849 -1.578 -4.077 1.00 0.00 C ATOM 221 CG LEU A 14 -14.387 -1.416 -4.065 1.00 0.00 C ATOM 222 CD1 LEU A 14 -14.797 -0.195 -3.255 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.944 -1.333 -5.481 1.00 0.00 C ATOM 0 H LEU A 14 -11.508 0.360 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.473 -0.861 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.612 -2.505 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.514 -1.697 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.810 -2.301 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.883 -0.102 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.448 -0.306 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.354 0.699 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.027 -1.219 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.508 -0.475 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.695 -2.245 -6.024 1.00 0.00 H new ATOM 235 N SER A 15 -13.236 0.635 -6.550 1.00 0.00 N ATOM 236 CA SER A 15 -14.066 1.664 -7.188 1.00 0.00 C ATOM 237 C SER A 15 -15.433 1.113 -7.607 1.00 0.00 C ATOM 238 O SER A 15 -15.534 0.036 -8.192 1.00 0.00 O ATOM 239 CB SER A 15 -13.339 2.266 -8.397 1.00 0.00 C ATOM 240 OG SER A 15 -14.251 2.822 -9.331 1.00 0.00 O ATOM 0 H SER A 15 -12.947 -0.118 -7.174 1.00 0.00 H new ATOM 0 HA SER A 15 -14.239 2.449 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.647 3.038 -8.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.743 1.495 -8.885 1.00 0.00 H new ATOM 0 HG SER A 15 -14.656 3.630 -8.952 1.00 0.00 H new ATOM 246 N ARG A 16 -16.478 1.879 -7.293 1.00 0.00 N ATOM 247 CA ARG A 16 -17.863 1.517 -7.612 1.00 0.00 C ATOM 248 C ARG A 16 -18.231 1.827 -9.071 1.00 0.00 C ATOM 249 O ARG A 16 -19.308 1.446 -9.532 1.00 0.00 O ATOM 250 CB ARG A 16 -18.817 2.261 -6.678 1.00 0.00 C ATOM 251 CG ARG A 16 -19.413 1.392 -5.584 1.00 0.00 C ATOM 252 CD ARG A 16 -20.933 1.430 -5.614 1.00 0.00 C ATOM 253 NE ARG A 16 -21.507 1.774 -4.311 1.00 0.00 N ATOM 254 CZ ARG A 16 -22.810 1.976 -4.098 1.00 0.00 C ATOM 255 NH1 ARG A 16 -23.681 1.887 -5.101 1.00 0.00 N ATOM 256 NH2 ARG A 16 -23.244 2.271 -2.878 1.00 0.00 N ATOM 0 H ARG A 16 -16.389 2.772 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 16 -17.956 0.440 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -18.283 3.092 -6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.626 2.690 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.070 0.364 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.058 1.733 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.261 2.157 -6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.312 0.458 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.873 1.865 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.355 1.663 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.674 2.043 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -22.582 2.343 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.239 2.426 -2.714 1.00 0.00 H new ATOM 270 N ASP A 17 -17.354 2.538 -9.783 1.00 0.00 N ATOM 271 CA ASP A 17 -17.618 2.919 -11.176 1.00 0.00 C ATOM 272 C ASP A 17 -17.018 1.928 -12.176 1.00 0.00 C ATOM 273 O ASP A 17 -17.224 2.065 -13.382 1.00 0.00 O ATOM 274 CB ASP A 17 -17.076 4.326 -11.464 1.00 0.00 C ATOM 275 CG ASP A 17 -17.061 5.220 -10.238 1.00 0.00 C ATOM 276 OD1 ASP A 17 -16.044 5.218 -9.513 1.00 0.00 O ATOM 277 OD2 ASP A 17 -18.066 5.923 -10.004 1.00 0.00 O ATOM 0 H ASP A 17 -16.457 2.862 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.701 2.908 -11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.064 4.245 -11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.685 4.792 -12.239 1.00 0.00 H new ATOM 282 N ASP A 18 -16.277 0.937 -11.681 1.00 0.00 N ATOM 283 CA ASP A 18 -15.657 -0.062 -12.552 1.00 0.00 C ATOM 284 C ASP A 18 -16.691 -1.035 -13.115 1.00 0.00 C ATOM 285 O ASP A 18 -17.787 -1.180 -12.571 1.00 0.00 O ATOM 286 CB ASP A 18 -14.605 -0.862 -11.786 1.00 0.00 C ATOM 287 CG ASP A 18 -13.588 0.000 -11.063 1.00 0.00 C ATOM 288 OD1 ASP A 18 -13.184 1.047 -11.613 1.00 0.00 O ATOM 289 OD2 ASP A 18 -13.186 -0.384 -9.945 1.00 0.00 O ATOM 0 H ASP A 18 -16.092 0.804 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.191 0.479 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.106 -1.502 -11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.082 -1.518 -12.482 1.00 0.00 H new ATOM 294 N ASP A 19 -16.313 -1.723 -14.194 1.00 0.00 N ATOM 295 CA ASP A 19 -17.179 -2.713 -14.821 1.00 0.00 C ATOM 296 C ASP A 19 -16.755 -4.134 -14.421 1.00 0.00 C ATOM 297 O ASP A 19 -17.161 -5.114 -15.050 1.00 0.00 O ATOM 298 CB ASP A 19 -17.159 -2.557 -16.342 1.00 0.00 C ATOM 299 CG ASP A 19 -18.550 -2.613 -16.942 1.00 0.00 C ATOM 300 OD1 ASP A 19 -19.097 -3.728 -17.065 1.00 0.00 O ATOM 301 OD2 ASP A 19 -19.092 -1.544 -17.290 1.00 0.00 O ATOM 0 H ASP A 19 -15.408 -1.609 -14.651 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.198 -2.547 -14.471 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.691 -1.607 -16.602 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.545 -3.345 -16.778 1.00 0.00 H new ATOM 306 N LEU A 20 -15.932 -4.230 -13.366 1.00 0.00 N ATOM 307 CA LEU A 20 -15.438 -5.518 -12.863 1.00 0.00 C ATOM 308 C LEU A 20 -16.597 -6.452 -12.520 1.00 0.00 C ATOM 309 O LEU A 20 -16.834 -7.435 -13.221 1.00 0.00 O ATOM 310 CB LEU A 20 -14.532 -5.337 -11.624 1.00 0.00 C ATOM 311 CG LEU A 20 -14.443 -3.920 -11.030 1.00 0.00 C ATOM 312 CD1 LEU A 20 -15.755 -3.514 -10.364 1.00 0.00 C ATOM 313 CD2 LEU A 20 -13.300 -3.838 -10.033 1.00 0.00 C ATOM 0 H LEU A 20 -15.593 -3.423 -12.842 1.00 0.00 H new ATOM 0 HA LEU A 20 -14.844 -5.965 -13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.885 -6.011 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.525 -5.658 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.252 -3.225 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.659 -2.508 -9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.558 -3.531 -11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.986 -4.213 -9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.248 -2.830 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.469 -4.552 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.362 -4.073 -10.535 1.00 0.00 H new ATOM 325 N THR A 21 -17.315 -6.124 -11.441 1.00 0.00 N ATOM 326 CA THR A 21 -18.462 -6.901 -10.980 1.00 0.00 C ATOM 327 C THR A 21 -18.053 -8.325 -10.586 1.00 0.00 C ATOM 328 O THR A 21 -17.963 -9.223 -11.426 1.00 0.00 O ATOM 329 CB THR A 21 -19.579 -6.890 -12.041 1.00 0.00 C ATOM 330 OG1 THR A 21 -19.387 -7.895 -13.024 1.00 0.00 O ATOM 331 CG2 THR A 21 -19.694 -5.557 -12.761 1.00 0.00 C ATOM 0 H THR A 21 -17.113 -5.308 -10.863 1.00 0.00 H new ATOM 0 HA THR A 21 -18.857 -6.431 -10.079 1.00 0.00 H new ATOM 0 HB THR A 21 -20.496 -7.079 -11.483 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.457 -8.204 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 21 -20.497 -5.609 -13.496 1.00 0.00 H new ATOM 0 HG22 THR A 21 -19.914 -4.771 -12.038 1.00 0.00 H new ATOM 0 HG23 THR A 21 -18.754 -5.334 -13.265 1.00 0.00 H new ATOM 339 N GLY A 22 -17.796 -8.515 -9.289 1.00 0.00 N ATOM 340 CA GLY A 22 -17.391 -9.818 -8.788 1.00 0.00 C ATOM 341 C GLY A 22 -16.694 -9.749 -7.436 1.00 0.00 C ATOM 342 O GLY A 22 -17.349 -9.758 -6.394 1.00 0.00 O ATOM 0 H GLY A 22 -17.862 -7.787 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.270 -10.457 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.723 -10.287 -9.511 1.00 0.00 H new ATOM 346 N GLU A 23 -15.362 -9.706 -7.459 1.00 0.00 N ATOM 347 CA GLU A 23 -14.559 -9.662 -6.233 1.00 0.00 C ATOM 348 C GLU A 23 -14.270 -8.234 -5.765 1.00 0.00 C ATOM 349 O GLU A 23 -14.642 -7.852 -4.659 1.00 0.00 O ATOM 350 CB GLU A 23 -13.242 -10.426 -6.451 1.00 0.00 C ATOM 351 CG GLU A 23 -12.115 -10.038 -5.497 1.00 0.00 C ATOM 352 CD GLU A 23 -11.229 -8.924 -6.032 1.00 0.00 C ATOM 353 OE1 GLU A 23 -11.018 -8.861 -7.262 1.00 0.00 O ATOM 354 OE2 GLU A 23 -10.746 -8.111 -5.216 1.00 0.00 O ATOM 0 H GLU A 23 -14.812 -9.701 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.142 -10.139 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.436 -11.494 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.907 -10.260 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.546 -9.725 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.501 -10.916 -5.295 1.00 0.00 H new ATOM 361 N SER A 24 -13.561 -7.470 -6.590 1.00 0.00 N ATOM 362 CA SER A 24 -13.160 -6.105 -6.237 1.00 0.00 C ATOM 363 C SER A 24 -14.317 -5.106 -6.123 1.00 0.00 C ATOM 364 O SER A 24 -14.067 -3.923 -5.906 1.00 0.00 O ATOM 365 CB SER A 24 -12.138 -5.587 -7.251 1.00 0.00 C ATOM 366 OG SER A 24 -10.872 -5.399 -6.648 1.00 0.00 O ATOM 0 H SER A 24 -13.249 -7.772 -7.513 1.00 0.00 H new ATOM 0 HA SER A 24 -12.726 -6.176 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.050 -6.294 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.486 -4.645 -7.674 1.00 0.00 H new ATOM 0 HG SER A 24 -10.626 -6.204 -6.146 1.00 0.00 H new ATOM 372 N ASN A 25 -15.568 -5.551 -6.265 1.00 0.00 N ATOM 373 CA ASN A 25 -16.704 -4.631 -6.175 1.00 0.00 C ATOM 374 C ASN A 25 -17.238 -4.494 -4.737 1.00 0.00 C ATOM 375 O ASN A 25 -18.448 -4.494 -4.508 1.00 0.00 O ATOM 376 CB ASN A 25 -17.814 -5.049 -7.162 1.00 0.00 C ATOM 377 CG ASN A 25 -18.827 -6.027 -6.583 1.00 0.00 C ATOM 378 OD1 ASN A 25 -18.388 -7.244 -6.292 1.00 0.00 O flip ATOM 379 ND2 ASN A 25 -19.997 -5.690 -6.406 1.00 0.00 N flip ATOM 0 H ASN A 25 -15.817 -6.524 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.349 -3.641 -6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.340 -4.156 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.353 -5.499 -8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.297 -4.744 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.667 -6.357 -6.023 1.00 0.00 H new ATOM 386 N SER A 26 -16.330 -4.344 -3.766 1.00 0.00 N ATOM 387 CA SER A 26 -16.735 -4.178 -2.369 1.00 0.00 C ATOM 388 C SER A 26 -15.652 -3.472 -1.550 1.00 0.00 C ATOM 389 O SER A 26 -15.560 -2.253 -1.584 1.00 0.00 O ATOM 390 CB SER A 26 -17.102 -5.532 -1.747 1.00 0.00 C ATOM 391 OG SER A 26 -18.473 -5.829 -1.940 1.00 0.00 O ATOM 0 H SER A 26 -15.322 -4.334 -3.920 1.00 0.00 H new ATOM 0 HA SER A 26 -17.621 -3.543 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.491 -6.317 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.877 -5.518 -0.681 1.00 0.00 H new ATOM 0 HG SER A 26 -18.768 -5.467 -2.802 1.00 0.00 H new ATOM 397 N ILE A 27 -14.840 -4.241 -0.827 1.00 0.00 N ATOM 398 CA ILE A 27 -13.756 -3.690 -0.008 1.00 0.00 C ATOM 399 C ILE A 27 -12.894 -4.826 0.545 1.00 0.00 C ATOM 400 O ILE A 27 -11.744 -4.999 0.137 1.00 0.00 O ATOM 401 CB ILE A 27 -14.281 -2.805 1.165 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.455 -1.343 0.729 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.343 -2.868 2.366 1.00 0.00 C ATOM 404 CD1 ILE A 27 -13.346 -0.821 -0.164 1.00 0.00 C ATOM 0 H ILE A 27 -14.912 -5.258 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.159 -3.047 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.254 -3.204 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.405 -1.243 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.515 -0.716 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.735 -2.241 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.267 -3.898 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.355 -2.510 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.548 0.218 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.394 -0.885 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.298 -1.421 -1.073 1.00 0.00 H new ATOM 416 N THR A 28 -13.468 -5.598 1.470 1.00 0.00 N ATOM 417 CA THR A 28 -12.771 -6.724 2.091 1.00 0.00 C ATOM 418 C THR A 28 -12.259 -7.724 1.045 1.00 0.00 C ATOM 419 O THR A 28 -11.280 -8.428 1.291 1.00 0.00 O ATOM 420 CB THR A 28 -13.696 -7.416 3.103 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.059 -7.532 4.361 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.135 -8.802 2.690 1.00 0.00 C ATOM 0 H THR A 28 -14.421 -5.461 1.807 1.00 0.00 H new ATOM 0 HA THR A 28 -11.898 -6.335 2.615 1.00 0.00 H new ATOM 0 HB THR A 28 -14.580 -6.780 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.663 -7.973 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.785 -9.222 3.458 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.677 -8.746 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.259 -9.440 2.568 1.00 0.00 H new ATOM 430 N ASN A 29 -12.922 -7.788 -0.116 1.00 0.00 N ATOM 431 CA ASN A 29 -12.519 -8.711 -1.175 1.00 0.00 C ATOM 432 C ASN A 29 -11.105 -8.398 -1.665 1.00 0.00 C ATOM 433 O ASN A 29 -10.219 -9.252 -1.569 1.00 0.00 O ATOM 434 CB ASN A 29 -13.515 -8.683 -2.339 1.00 0.00 C ATOM 435 CG ASN A 29 -14.953 -8.865 -1.886 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.456 -8.107 -1.058 1.00 0.00 O ATOM 437 ND2 ASN A 29 -15.627 -9.870 -2.434 1.00 0.00 N ATOM 0 H ASN A 29 -13.734 -7.214 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.518 -9.717 -0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.423 -7.734 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.260 -9.470 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.599 -10.036 -2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.173 -10.476 -3.117 1.00 0.00 H new ATOM 444 N GLN A 30 -10.873 -7.175 -2.166 1.00 0.00 N ATOM 445 CA GLN A 30 -9.528 -6.812 -2.623 1.00 0.00 C ATOM 446 C GLN A 30 -8.548 -6.858 -1.444 1.00 0.00 C ATOM 447 O GLN A 30 -7.371 -7.196 -1.617 1.00 0.00 O ATOM 448 CB GLN A 30 -9.487 -5.432 -3.298 1.00 0.00 C ATOM 449 CG GLN A 30 -10.834 -4.912 -3.778 1.00 0.00 C ATOM 450 CD GLN A 30 -11.593 -4.177 -2.693 1.00 0.00 C ATOM 451 OE1 GLN A 30 -12.799 -4.359 -2.548 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.894 -3.333 -1.933 1.00 0.00 N ATOM 0 H GLN A 30 -11.576 -6.443 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.232 -7.541 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.066 -4.713 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.808 -5.481 -4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.681 -4.244 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.436 -5.748 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.893 -3.214 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.360 -2.806 -1.194 1.00 0.00 H new ATOM 461 N LYS A 31 -9.046 -6.555 -0.231 1.00 0.00 N ATOM 462 CA LYS A 31 -8.214 -6.613 0.966 1.00 0.00 C ATOM 463 C LYS A 31 -7.637 -8.020 1.104 1.00 0.00 C ATOM 464 O LYS A 31 -6.422 -8.201 1.208 1.00 0.00 O ATOM 465 CB LYS A 31 -9.023 -6.264 2.221 1.00 0.00 C ATOM 466 CG LYS A 31 -9.714 -4.915 2.161 1.00 0.00 C ATOM 467 CD LYS A 31 -9.625 -4.195 3.493 1.00 0.00 C ATOM 468 CE LYS A 31 -10.874 -4.407 4.334 1.00 0.00 C ATOM 469 NZ LYS A 31 -11.435 -3.123 4.832 1.00 0.00 N ATOM 0 H LYS A 31 -10.011 -6.271 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.411 -5.883 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.774 -7.037 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.358 -6.281 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.257 -4.304 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.760 -5.051 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.753 -4.551 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.479 -3.129 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.627 -4.926 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.636 -5.051 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.455 -3.232 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.963 -2.859 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.280 -2.378 4.123 1.00 0.00 H new ATOM 483 N LYS A 32 -8.531 -9.016 1.067 1.00 0.00 N ATOM 484 CA LYS A 32 -8.139 -10.421 1.156 1.00 0.00 C ATOM 485 C LYS A 32 -7.170 -10.784 0.030 1.00 0.00 C ATOM 486 O LYS A 32 -6.298 -11.634 0.209 1.00 0.00 O ATOM 487 CB LYS A 32 -9.373 -11.322 1.112 1.00 0.00 C ATOM 488 CG LYS A 32 -9.865 -11.730 2.491 1.00 0.00 C ATOM 489 CD LYS A 32 -11.290 -11.261 2.744 1.00 0.00 C ATOM 490 CE LYS A 32 -11.408 -10.514 4.065 1.00 0.00 C ATOM 491 NZ LYS A 32 -10.651 -9.229 4.061 1.00 0.00 N ATOM 0 H LYS A 32 -9.536 -8.869 0.975 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.630 -10.576 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.175 -10.804 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.141 -12.218 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.817 -12.815 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.205 -11.312 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.610 -10.612 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.961 -12.120 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.459 -10.313 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.039 -11.147 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.897 -9.268 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.230 -9.077 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.297 -8.445 4.281 1.00 0.00 H new ATOM 505 N TYR A 33 -7.313 -10.114 -1.123 1.00 0.00 N ATOM 506 CA TYR A 33 -6.427 -10.346 -2.264 1.00 0.00 C ATOM 507 C TYR A 33 -4.980 -10.139 -1.836 1.00 0.00 C ATOM 508 O TYR A 33 -4.171 -11.079 -1.828 1.00 0.00 O ATOM 509 CB TYR A 33 -6.752 -9.380 -3.407 1.00 0.00 C ATOM 510 CG TYR A 33 -5.961 -9.657 -4.661 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.325 -10.669 -5.538 1.00 0.00 C ATOM 512 CD2 TYR A 33 -4.834 -8.908 -4.955 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.582 -10.924 -6.675 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.089 -9.152 -6.084 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.465 -10.162 -6.944 1.00 0.00 C ATOM 516 OH TYR A 33 -3.722 -10.412 -8.074 1.00 0.00 O ATOM 0 H TYR A 33 -8.033 -9.410 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.573 -11.369 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.816 -9.442 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.555 -8.359 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.201 -11.265 -5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.535 -8.117 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.875 -11.716 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.214 -8.556 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.305 -10.767 -8.777 1.00 0.00 H new ATOM 526 N LEU A 34 -4.670 -8.897 -1.451 1.00 0.00 N ATOM 527 CA LEU A 34 -3.334 -8.551 -0.985 1.00 0.00 C ATOM 528 C LEU A 34 -2.906 -9.518 0.109 1.00 0.00 C ATOM 529 O LEU A 34 -1.732 -9.870 0.210 1.00 0.00 O ATOM 530 CB LEU A 34 -3.319 -7.127 -0.435 1.00 0.00 C ATOM 531 CG LEU A 34 -3.276 -5.993 -1.466 1.00 0.00 C ATOM 532 CD1 LEU A 34 -3.669 -6.477 -2.853 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.186 -4.870 -1.016 1.00 0.00 C ATOM 0 H LEU A 34 -5.329 -8.119 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.642 -8.617 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.206 -6.991 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.454 -7.024 0.221 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.251 -5.628 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.626 -5.644 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.980 -7.258 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.683 -6.876 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.157 -4.063 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.207 -5.242 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.851 -4.495 -0.049 1.00 0.00 H new ATOM 545 N GLU A 35 -3.877 -9.957 0.923 1.00 0.00 N ATOM 546 CA GLU A 35 -3.594 -10.900 1.990 1.00 0.00 C ATOM 547 C GLU A 35 -3.027 -12.183 1.403 1.00 0.00 C ATOM 548 O GLU A 35 -1.964 -12.644 1.817 1.00 0.00 O ATOM 549 CB GLU A 35 -4.842 -11.191 2.824 1.00 0.00 C ATOM 550 CG GLU A 35 -4.630 -10.950 4.309 1.00 0.00 C ATOM 551 CD GLU A 35 -4.918 -12.174 5.154 1.00 0.00 C ATOM 552 OE1 GLU A 35 -6.080 -12.345 5.576 1.00 0.00 O ATOM 553 OE2 GLU A 35 -3.979 -12.960 5.398 1.00 0.00 O ATOM 0 H GLU A 35 -4.854 -9.671 0.856 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.855 -10.455 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.662 -10.564 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.143 -12.227 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.601 -10.633 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.272 -10.131 4.634 1.00 0.00 H new ATOM 560 N ASP A 36 -3.728 -12.726 0.404 1.00 0.00 N ATOM 561 CA ASP A 36 -3.290 -13.936 -0.290 1.00 0.00 C ATOM 562 C ASP A 36 -1.848 -13.778 -0.771 1.00 0.00 C ATOM 563 O ASP A 36 -1.096 -14.752 -0.847 1.00 0.00 O ATOM 564 CB ASP A 36 -4.212 -14.223 -1.479 1.00 0.00 C ATOM 565 CG ASP A 36 -4.400 -15.707 -1.754 1.00 0.00 C ATOM 566 OD1 ASP A 36 -3.559 -16.518 -1.309 1.00 0.00 O ATOM 567 OD2 ASP A 36 -5.394 -16.058 -2.420 1.00 0.00 O ATOM 0 H ASP A 36 -4.607 -12.342 0.057 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.337 -14.774 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.185 -13.770 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.804 -13.745 -2.369 1.00 0.00 H new ATOM 572 N TYR A 37 -1.470 -12.536 -1.080 1.00 0.00 N ATOM 573 CA TYR A 37 -0.120 -12.235 -1.539 1.00 0.00 C ATOM 574 C TYR A 37 0.860 -12.221 -0.370 1.00 0.00 C ATOM 575 O TYR A 37 1.800 -13.008 -0.331 1.00 0.00 O ATOM 576 CB TYR A 37 -0.088 -10.879 -2.253 1.00 0.00 C ATOM 577 CG TYR A 37 1.309 -10.350 -2.488 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.995 -9.688 -1.482 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.943 -10.534 -3.703 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.280 -9.223 -1.681 1.00 0.00 C ATOM 581 CE2 TYR A 37 3.227 -10.068 -3.916 1.00 0.00 C ATOM 582 CZ TYR A 37 3.892 -9.414 -2.901 1.00 0.00 C ATOM 583 OH TYR A 37 5.173 -8.955 -3.106 1.00 0.00 O ATOM 0 H TYR A 37 -2.084 -11.724 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 37 0.179 -13.016 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.599 -10.971 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.647 -10.154 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.516 -9.533 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.427 -11.050 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.802 -8.713 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.706 -10.216 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 37 5.456 -9.172 -4.019 1.00 0.00 H new ATOM 593 N ALA A 38 0.641 -11.304 0.571 1.00 0.00 N ATOM 594 CA ALA A 38 1.511 -11.173 1.733 1.00 0.00 C ATOM 595 C ALA A 38 1.769 -12.522 2.405 1.00 0.00 C ATOM 596 O ALA A 38 2.857 -12.750 2.929 1.00 0.00 O ATOM 597 CB ALA A 38 0.921 -10.188 2.723 1.00 0.00 C ATOM 0 H ALA A 38 -0.134 -10.641 0.549 1.00 0.00 H new ATOM 0 HA ALA A 38 2.472 -10.794 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.581 -10.100 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.814 -9.213 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.057 -10.542 3.049 1.00 0.00 H new ATOM 603 N ARG A 39 0.780 -13.422 2.371 1.00 0.00 N ATOM 604 CA ARG A 39 0.951 -14.750 2.967 1.00 0.00 C ATOM 605 C ARG A 39 1.772 -15.636 2.040 1.00 0.00 C ATOM 606 O ARG A 39 2.709 -16.302 2.480 1.00 0.00 O ATOM 607 CB ARG A 39 -0.390 -15.409 3.284 1.00 0.00 C ATOM 608 CG ARG A 39 -1.317 -15.531 2.093 1.00 0.00 C ATOM 609 CD ARG A 39 -2.770 -15.398 2.524 1.00 0.00 C ATOM 610 NE ARG A 39 -3.633 -16.367 1.848 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.908 -16.137 1.522 1.00 0.00 C ATOM 612 NH1 ARG A 39 -5.491 -14.983 1.833 1.00 0.00 N ATOM 613 NH2 ARG A 39 -5.605 -17.070 0.883 1.00 0.00 N ATOM 0 H ARG A 39 -0.132 -13.259 1.945 1.00 0.00 H new ATOM 0 HA ARG A 39 1.483 -14.625 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.207 -16.403 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.890 -14.833 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.078 -14.760 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.164 -16.493 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.843 -15.538 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.121 -14.389 2.310 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.236 -17.276 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.964 -14.262 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.465 -14.819 1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.167 -17.959 0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.579 -16.897 0.633 1.00 0.00 H new ATOM 627 N ARG A 40 1.439 -15.612 0.746 1.00 0.00 N ATOM 628 CA ARG A 40 2.180 -16.388 -0.244 1.00 0.00 C ATOM 629 C ARG A 40 3.619 -15.861 -0.359 1.00 0.00 C ATOM 630 O ARG A 40 4.496 -16.536 -0.900 1.00 0.00 O ATOM 631 CB ARG A 40 1.462 -16.346 -1.604 1.00 0.00 C ATOM 632 CG ARG A 40 1.754 -15.111 -2.441 1.00 0.00 C ATOM 633 CD ARG A 40 1.022 -15.163 -3.772 1.00 0.00 C ATOM 634 NE ARG A 40 1.250 -13.966 -4.582 1.00 0.00 N ATOM 635 CZ ARG A 40 2.391 -13.699 -5.223 1.00 0.00 C ATOM 636 NH1 ARG A 40 3.433 -14.516 -5.113 1.00 0.00 N ATOM 637 NH2 ARG A 40 2.490 -12.609 -5.975 1.00 0.00 N ATOM 0 H ARG A 40 0.666 -15.067 0.365 1.00 0.00 H new ATOM 0 HA ARG A 40 2.224 -17.428 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.744 -17.230 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.387 -16.406 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.454 -14.218 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.827 -15.032 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.348 -16.042 -4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.047 -15.278 -3.591 1.00 0.00 H new ATOM 0 HE ARG A 40 0.489 -13.292 -4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.365 -15.354 -4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.301 -14.305 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.695 -11.976 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.361 -12.405 -6.465 1.00 0.00 H new ATOM 651 N ASN A 41 3.845 -14.646 0.164 1.00 0.00 N ATOM 652 CA ASN A 41 5.154 -14.008 0.139 1.00 0.00 C ATOM 653 C ASN A 41 5.892 -14.201 1.468 1.00 0.00 C ATOM 654 O ASN A 41 7.100 -14.445 1.485 1.00 0.00 O ATOM 655 CB ASN A 41 4.977 -12.518 -0.167 1.00 0.00 C ATOM 656 CG ASN A 41 4.968 -12.239 -1.656 1.00 0.00 C ATOM 657 OD1 ASN A 41 5.929 -11.701 -2.205 1.00 0.00 O ATOM 658 ND2 ASN A 41 3.877 -12.607 -2.318 1.00 0.00 N ATOM 0 H ASN A 41 3.121 -14.085 0.614 1.00 0.00 H new ATOM 0 HA ASN A 41 5.759 -14.473 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.044 -12.166 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.783 -11.954 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.812 -12.447 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.104 -13.050 -1.821 1.00 0.00 H new ATOM 665 N GLY A 42 5.156 -14.101 2.577 1.00 0.00 N ATOM 666 CA GLY A 42 5.749 -14.276 3.898 1.00 0.00 C ATOM 667 C GLY A 42 5.959 -12.965 4.645 1.00 0.00 C ATOM 668 O GLY A 42 7.055 -12.704 5.142 1.00 0.00 O ATOM 0 H GLY A 42 4.156 -13.901 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.107 -14.926 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.708 -14.784 3.793 1.00 0.00 H new ATOM 672 N PHE A 43 4.913 -12.138 4.723 1.00 0.00 N ATOM 673 CA PHE A 43 4.996 -10.849 5.411 1.00 0.00 C ATOM 674 C PHE A 43 4.201 -10.860 6.719 1.00 0.00 C ATOM 675 O PHE A 43 3.106 -11.416 6.785 1.00 0.00 O ATOM 676 CB PHE A 43 4.481 -9.744 4.492 1.00 0.00 C ATOM 677 CG PHE A 43 5.339 -9.526 3.279 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.673 -9.169 3.398 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.803 -9.677 2.019 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.451 -8.969 2.273 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.568 -9.482 0.894 1.00 0.00 C ATOM 682 CZ PHE A 43 6.897 -9.127 1.018 1.00 0.00 C ATOM 0 H PHE A 43 3.999 -12.339 4.318 1.00 0.00 H new ATOM 0 HA PHE A 43 6.040 -10.661 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.469 -9.991 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.419 -8.813 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.109 -9.046 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.764 -9.953 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.489 -8.690 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.131 -9.606 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.501 -8.973 0.136 1.00 0.00 H new ATOM 692 N GLU A 44 4.776 -10.261 7.763 1.00 0.00 N ATOM 693 CA GLU A 44 4.150 -10.214 9.077 1.00 0.00 C ATOM 694 C GLU A 44 3.457 -8.902 9.361 1.00 0.00 C ATOM 695 O GLU A 44 3.645 -7.912 8.658 1.00 0.00 O ATOM 696 CB GLU A 44 5.200 -10.411 10.150 1.00 0.00 C ATOM 697 CG GLU A 44 5.595 -11.846 10.369 1.00 0.00 C ATOM 698 CD GLU A 44 5.736 -12.642 9.083 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.752 -12.461 8.378 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.830 -13.447 8.783 1.00 0.00 O ATOM 0 H GLU A 44 5.684 -9.798 7.718 1.00 0.00 H new ATOM 0 HA GLU A 44 3.403 -11.008 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.088 -9.838 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.826 -10.001 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.541 -11.875 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.850 -12.326 11.004 1.00 0.00 H new ATOM 707 N ASN A 45 2.684 -8.912 10.444 1.00 0.00 N ATOM 708 CA ASN A 45 1.968 -7.735 10.906 1.00 0.00 C ATOM 709 C ASN A 45 1.200 -7.052 9.772 1.00 0.00 C ATOM 710 O ASN A 45 1.023 -5.833 9.790 1.00 0.00 O ATOM 711 CB ASN A 45 2.961 -6.744 11.500 1.00 0.00 C ATOM 712 CG ASN A 45 3.747 -7.298 12.673 1.00 0.00 C ATOM 713 OD1 ASN A 45 3.197 -7.563 13.740 1.00 0.00 O ATOM 714 ND2 ASN A 45 5.049 -7.475 12.470 1.00 0.00 N ATOM 0 H ASN A 45 2.539 -9.739 11.024 1.00 0.00 H new ATOM 0 HA ASN A 45 1.247 -8.057 11.657 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.658 -6.431 10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.423 -5.853 11.823 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.636 -7.845 13.217 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.461 -7.240 11.567 1.00 0.00 H new ATOM 721 N ILE A 46 0.765 -7.833 8.783 1.00 0.00 N ATOM 722 CA ILE A 46 0.040 -7.299 7.650 1.00 0.00 C ATOM 723 C ILE A 46 -1.142 -6.468 8.093 1.00 0.00 C ATOM 724 O ILE A 46 -2.204 -6.988 8.444 1.00 0.00 O ATOM 725 CB ILE A 46 -0.457 -8.403 6.717 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.703 -9.289 6.269 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.159 -7.780 5.524 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.275 -10.695 5.893 1.00 0.00 C ATOM 0 H ILE A 46 0.908 -8.842 8.752 1.00 0.00 H new ATOM 0 HA ILE A 46 0.746 -6.669 7.108 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.167 -9.033 7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.195 -8.826 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.440 -9.343 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.513 -8.567 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.006 -7.188 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.462 -7.137 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.148 -11.271 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.191 -11.176 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.439 -10.650 5.071 1.00 0.00 H new ATOM 740 N ARG A 47 -0.937 -5.171 8.057 1.00 0.00 N ATOM 741 CA ARG A 47 -1.967 -4.222 8.437 1.00 0.00 C ATOM 742 C ARG A 47 -2.804 -3.850 7.233 1.00 0.00 C ATOM 743 O ARG A 47 -2.274 -3.608 6.150 1.00 0.00 O ATOM 744 CB ARG A 47 -1.356 -2.980 9.069 1.00 0.00 C ATOM 745 CG ARG A 47 -2.156 -2.478 10.250 1.00 0.00 C ATOM 746 CD ARG A 47 -2.932 -1.226 9.904 1.00 0.00 C ATOM 747 NE ARG A 47 -4.356 -1.371 10.216 1.00 0.00 N ATOM 748 CZ ARG A 47 -5.197 -0.350 10.392 1.00 0.00 C ATOM 749 NH1 ARG A 47 -4.778 0.902 10.255 1.00 0.00 N ATOM 750 NH2 ARG A 47 -6.469 -0.585 10.698 1.00 0.00 N ATOM 0 H ARG A 47 -0.058 -4.743 7.766 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.612 -4.693 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.339 -3.203 9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.287 -2.192 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.846 -3.255 10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.485 -2.272 11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.523 -0.379 10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.812 -1.004 8.844 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.730 -2.316 10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.805 1.091 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.429 1.675 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.801 -1.544 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.113 0.194 10.833 1.00 0.00 H new ATOM 764 N HIS A 48 -4.116 -3.825 7.423 1.00 0.00 N ATOM 765 CA HIS A 48 -5.022 -3.506 6.331 1.00 0.00 C ATOM 766 C HIS A 48 -5.532 -2.073 6.415 1.00 0.00 C ATOM 767 O HIS A 48 -6.209 -1.693 7.372 1.00 0.00 O ATOM 768 CB HIS A 48 -6.194 -4.495 6.290 1.00 0.00 C ATOM 769 CG HIS A 48 -5.832 -5.806 5.676 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.261 -6.189 4.428 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.066 -6.818 6.138 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.777 -7.382 4.145 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.044 -7.789 5.166 1.00 0.00 N ATOM 0 H HIS A 48 -4.572 -4.020 8.314 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.456 -3.597 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.555 -4.663 7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.016 -4.052 5.728 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.861 -5.636 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.564 -6.857 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.950 -7.933 3.233 1.00 0.00 H new ATOM 782 N PHE A 49 -5.207 -1.293 5.386 1.00 0.00 N ATOM 783 CA PHE A 49 -5.629 0.097 5.296 1.00 0.00 C ATOM 784 C PHE A 49 -6.764 0.203 4.285 1.00 0.00 C ATOM 785 O PHE A 49 -6.560 0.144 3.067 1.00 0.00 O ATOM 786 CB PHE A 49 -4.435 0.997 4.940 1.00 0.00 C ATOM 787 CG PHE A 49 -3.280 0.824 5.888 1.00 0.00 C ATOM 788 CD1 PHE A 49 -3.261 1.504 7.090 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.225 -0.026 5.588 1.00 0.00 C ATOM 790 CE1 PHE A 49 -2.217 1.350 7.977 1.00 0.00 C ATOM 791 CE2 PHE A 49 -1.176 -0.184 6.476 1.00 0.00 C ATOM 792 CZ PHE A 49 -1.173 0.505 7.669 1.00 0.00 C ATOM 0 H PHE A 49 -4.645 -1.609 4.595 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.001 0.444 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.105 0.773 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.755 2.039 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.077 2.167 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.223 -0.568 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.217 1.891 8.912 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.359 -0.848 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.354 0.383 8.362 1.00 0.00 H new ATOM 802 N THR A 50 -7.968 0.285 4.838 1.00 0.00 N ATOM 803 CA THR A 50 -9.210 0.321 4.073 1.00 0.00 C ATOM 804 C THR A 50 -9.474 1.644 3.366 1.00 0.00 C ATOM 805 O THR A 50 -8.979 2.703 3.760 1.00 0.00 O ATOM 806 CB THR A 50 -10.375 -0.023 5.000 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.525 -0.401 4.260 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.767 1.111 5.929 1.00 0.00 C ATOM 0 H THR A 50 -8.112 0.329 5.847 1.00 0.00 H new ATOM 0 HA THR A 50 -9.109 -0.417 3.277 1.00 0.00 H new ATOM 0 HB THR A 50 -10.015 -0.853 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.255 -0.617 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.600 0.795 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.918 1.376 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.066 1.978 5.339 1.00 0.00 H new ATOM 816 N ASP A 51 -10.270 1.542 2.302 1.00 0.00 N ATOM 817 CA ASP A 51 -10.644 2.682 1.481 1.00 0.00 C ATOM 818 C ASP A 51 -12.144 2.938 1.514 1.00 0.00 C ATOM 819 O ASP A 51 -12.948 2.007 1.595 1.00 0.00 O ATOM 820 CB ASP A 51 -10.219 2.445 0.039 1.00 0.00 C ATOM 821 CG ASP A 51 -10.989 1.310 -0.600 1.00 0.00 C ATOM 822 OD1 ASP A 51 -10.653 0.138 -0.323 1.00 0.00 O ATOM 823 OD2 ASP A 51 -11.920 1.592 -1.384 1.00 0.00 O ATOM 0 H ASP A 51 -10.673 0.659 1.988 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.136 3.555 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.372 3.357 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.152 2.222 0.007 1.00 0.00 H new ATOM 828 N ASP A 52 -12.503 4.211 1.425 1.00 0.00 N ATOM 829 CA ASP A 52 -13.897 4.623 1.415 1.00 0.00 C ATOM 830 C ASP A 52 -14.006 6.059 0.909 1.00 0.00 C ATOM 831 O ASP A 52 -13.601 6.995 1.598 1.00 0.00 O ATOM 832 CB ASP A 52 -14.500 4.499 2.813 1.00 0.00 C ATOM 833 CG ASP A 52 -15.949 4.939 2.860 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.823 4.157 2.429 1.00 0.00 O ATOM 835 OD2 ASP A 52 -16.210 6.068 3.323 1.00 0.00 O ATOM 0 H ASP A 52 -11.839 4.983 1.358 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.456 3.970 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.427 3.464 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.918 5.101 3.511 1.00 0.00 H new ATOM 840 N GLY A 53 -14.537 6.221 -0.303 1.00 0.00 N ATOM 841 CA GLY A 53 -14.669 7.547 -0.889 1.00 0.00 C ATOM 842 C GLY A 53 -13.342 8.286 -0.937 1.00 0.00 C ATOM 843 O GLY A 53 -13.181 9.322 -0.294 1.00 0.00 O ATOM 0 H GLY A 53 -14.878 5.459 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.071 7.458 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.387 8.129 -0.310 1.00 0.00 H new ATOM 847 N PHE A 54 -12.386 7.740 -1.692 1.00 0.00 N ATOM 848 CA PHE A 54 -11.062 8.335 -1.816 1.00 0.00 C ATOM 849 C PHE A 54 -11.029 9.404 -2.899 1.00 0.00 C ATOM 850 O PHE A 54 -11.702 9.295 -3.925 1.00 0.00 O ATOM 851 CB PHE A 54 -10.011 7.258 -2.138 1.00 0.00 C ATOM 852 CG PHE A 54 -9.425 6.568 -0.931 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.377 7.204 0.299 1.00 0.00 C ATOM 854 CD2 PHE A 54 -8.925 5.274 -1.026 1.00 0.00 C ATOM 855 CE1 PHE A 54 -8.854 6.568 1.402 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.395 4.641 0.083 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.364 5.293 1.298 1.00 0.00 C ATOM 0 H PHE A 54 -12.510 6.881 -2.228 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.828 8.800 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.466 6.507 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.202 7.718 -2.705 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.755 8.211 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.951 4.759 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.830 7.077 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.006 3.637 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.954 4.799 2.166 1.00 0.00 H new ATOM 867 N SER A 55 -10.215 10.424 -2.662 1.00 0.00 N ATOM 868 CA SER A 55 -10.045 11.521 -3.611 1.00 0.00 C ATOM 869 C SER A 55 -9.182 11.062 -4.787 1.00 0.00 C ATOM 870 O SER A 55 -8.593 9.980 -4.744 1.00 0.00 O ATOM 871 CB SER A 55 -9.403 12.730 -2.924 1.00 0.00 C ATOM 872 OG SER A 55 -10.375 13.516 -2.254 1.00 0.00 O ATOM 0 H SER A 55 -9.657 10.516 -1.813 1.00 0.00 H new ATOM 0 HA SER A 55 -11.026 11.817 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.652 12.390 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.886 13.340 -3.665 1.00 0.00 H new ATOM 0 HG SER A 55 -9.938 14.280 -1.823 1.00 0.00 H new ATOM 878 N GLY A 56 -9.117 11.876 -5.840 1.00 0.00 N ATOM 879 CA GLY A 56 -8.331 11.511 -7.005 1.00 0.00 C ATOM 880 C GLY A 56 -7.217 12.492 -7.319 1.00 0.00 C ATOM 881 O GLY A 56 -6.937 12.748 -8.491 1.00 0.00 O ATOM 0 H GLY A 56 -9.592 12.776 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.899 10.523 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.991 11.435 -7.869 1.00 0.00 H new ATOM 885 N VAL A 57 -6.575 13.046 -6.286 1.00 0.00 N ATOM 886 CA VAL A 57 -5.490 13.999 -6.507 1.00 0.00 C ATOM 887 C VAL A 57 -4.108 13.343 -6.395 1.00 0.00 C ATOM 888 O VAL A 57 -3.272 13.551 -7.268 1.00 0.00 O ATOM 889 CB VAL A 57 -5.567 15.200 -5.534 1.00 0.00 C ATOM 890 CG1 VAL A 57 -6.963 15.802 -5.535 1.00 0.00 C ATOM 891 CG2 VAL A 57 -5.158 14.798 -4.123 1.00 0.00 C ATOM 0 H VAL A 57 -6.784 12.854 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.620 14.362 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.863 15.956 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.996 16.645 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.210 16.146 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.685 15.048 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.223 15.664 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.824 14.015 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.133 14.426 -4.133 1.00 0.00 H new ATOM 901 N ASN A 58 -3.882 12.548 -5.330 1.00 0.00 N ATOM 902 CA ASN A 58 -2.591 11.867 -5.108 1.00 0.00 C ATOM 903 C ASN A 58 -2.617 11.020 -3.825 1.00 0.00 C ATOM 904 O ASN A 58 -3.141 9.906 -3.827 1.00 0.00 O ATOM 905 CB ASN A 58 -1.444 12.891 -5.023 1.00 0.00 C ATOM 906 CG ASN A 58 -0.905 13.316 -6.372 1.00 0.00 C ATOM 907 OD1 ASN A 58 -0.528 12.484 -7.195 1.00 0.00 O ATOM 908 ND2 ASN A 58 -0.863 14.624 -6.601 1.00 0.00 N ATOM 0 H ASN A 58 -4.579 12.362 -4.609 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.423 11.206 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.796 13.773 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.631 12.465 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.507 14.975 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.187 15.277 -5.888 1.00 0.00 H new ATOM 915 N PHE A 59 -2.031 11.547 -2.738 1.00 0.00 N ATOM 916 CA PHE A 59 -1.967 10.833 -1.463 1.00 0.00 C ATOM 917 C PHE A 59 -2.742 11.582 -0.371 1.00 0.00 C ATOM 918 O PHE A 59 -3.570 12.443 -0.671 1.00 0.00 O ATOM 919 CB PHE A 59 -0.499 10.637 -1.031 1.00 0.00 C ATOM 920 CG PHE A 59 0.453 10.282 -2.152 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.790 11.214 -3.123 1.00 0.00 C ATOM 922 CD2 PHE A 59 1.018 9.016 -2.231 1.00 0.00 C ATOM 923 CE1 PHE A 59 1.663 10.892 -4.145 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.891 8.692 -3.252 1.00 0.00 C ATOM 925 CZ PHE A 59 2.213 9.630 -4.209 1.00 0.00 C ATOM 0 H PHE A 59 -1.595 12.469 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.430 9.856 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.150 11.553 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.459 9.851 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.364 12.205 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.772 8.275 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.914 11.629 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.321 7.703 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.895 9.377 -5.007 1.00 0.00 H new ATOM 935 N ASN A 60 -2.468 11.239 0.895 1.00 0.00 N ATOM 936 CA ASN A 60 -3.132 11.863 2.044 1.00 0.00 C ATOM 937 C ASN A 60 -4.606 11.463 2.111 1.00 0.00 C ATOM 938 O ASN A 60 -5.497 12.240 1.769 1.00 0.00 O ATOM 939 CB ASN A 60 -2.981 13.391 2.007 1.00 0.00 C ATOM 940 CG ASN A 60 -1.527 13.844 1.978 1.00 0.00 C ATOM 941 OD1 ASN A 60 -0.639 13.082 2.618 1.00 0.00 O flip ATOM 942 ND2 ASN A 60 -1.206 14.875 1.391 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.784 10.526 1.149 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.643 11.499 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.495 13.780 1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.472 13.821 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.915 15.431 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.231 15.174 1.382 1.00 0.00 H new ATOM 949 N ARG A 61 -4.837 10.232 2.561 1.00 0.00 N ATOM 950 CA ARG A 61 -6.183 9.673 2.697 1.00 0.00 C ATOM 951 C ARG A 61 -6.387 9.157 4.121 1.00 0.00 C ATOM 952 O ARG A 61 -5.430 9.016 4.865 1.00 0.00 O ATOM 953 CB ARG A 61 -6.391 8.514 1.703 1.00 0.00 C ATOM 954 CG ARG A 61 -5.358 8.419 0.575 1.00 0.00 C ATOM 955 CD ARG A 61 -5.938 8.874 -0.756 1.00 0.00 C ATOM 956 NE ARG A 61 -5.769 10.309 -0.972 1.00 0.00 N ATOM 957 CZ ARG A 61 -6.700 11.228 -0.699 1.00 0.00 C ATOM 958 NH1 ARG A 61 -7.879 10.873 -0.196 1.00 0.00 N ATOM 959 NH2 ARG A 61 -6.448 12.510 -0.935 1.00 0.00 N ATOM 0 H ARG A 61 -4.095 9.591 2.843 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.906 10.459 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.384 7.576 2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.381 8.613 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.491 9.031 0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.008 7.391 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.455 8.327 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.999 8.626 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.881 10.631 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.081 9.890 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.581 11.584 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.547 12.790 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.155 13.215 -0.728 1.00 0.00 H new ATOM 973 N PRO A 62 -7.634 8.856 4.518 1.00 0.00 N ATOM 974 CA PRO A 62 -7.945 8.327 5.862 1.00 0.00 C ATOM 975 C PRO A 62 -7.150 7.044 6.158 1.00 0.00 C ATOM 976 O PRO A 62 -6.170 7.065 6.917 1.00 0.00 O ATOM 977 CB PRO A 62 -9.453 8.034 5.781 1.00 0.00 C ATOM 978 CG PRO A 62 -9.734 7.959 4.319 1.00 0.00 C ATOM 979 CD PRO A 62 -8.841 8.987 3.703 1.00 0.00 C ATOM 0 HA PRO A 62 -7.682 9.019 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.705 7.100 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.038 8.820 6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.522 6.965 3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.782 8.168 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.648 8.784 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.268 9.988 3.761 1.00 0.00 H new ATOM 987 N GLY A 63 -7.552 5.935 5.520 1.00 0.00 N ATOM 988 CA GLY A 63 -6.848 4.676 5.693 1.00 0.00 C ATOM 989 C GLY A 63 -5.388 4.817 5.314 1.00 0.00 C ATOM 990 O GLY A 63 -4.511 4.220 5.940 1.00 0.00 O ATOM 0 H GLY A 63 -8.352 5.893 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.929 4.349 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.315 3.906 5.078 1.00 0.00 H new ATOM 994 N PHE A 64 -5.138 5.642 4.294 1.00 0.00 N ATOM 995 CA PHE A 64 -3.793 5.918 3.817 1.00 0.00 C ATOM 996 C PHE A 64 -2.977 6.614 4.905 1.00 0.00 C ATOM 997 O PHE A 64 -1.809 6.294 5.115 1.00 0.00 O ATOM 998 CB PHE A 64 -3.877 6.803 2.575 1.00 0.00 C ATOM 999 CG PHE A 64 -2.557 7.109 1.940 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.607 7.859 2.609 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.271 6.649 0.672 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.393 8.141 2.024 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.060 6.925 0.081 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.116 7.672 0.757 1.00 0.00 C ATOM 0 H PHE A 64 -5.868 6.135 3.779 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.298 4.980 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.515 6.314 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.362 7.741 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.820 8.228 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.006 6.066 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.341 8.728 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.848 6.557 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.836 7.888 0.295 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.612 7.563 5.597 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.963 8.304 6.674 1.00 0.00 C ATOM 1016 C GLN A 65 -2.487 7.345 7.749 1.00 0.00 C ATOM 1017 O GLN A 65 -1.447 7.564 8.363 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.909 9.350 7.268 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.867 10.687 6.544 1.00 0.00 C ATOM 1020 CD GLN A 65 -3.413 11.824 7.440 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -2.235 11.929 7.780 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -4.348 12.683 7.829 1.00 0.00 N ATOM 0 H GLN A 65 -4.580 7.835 5.427 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.101 8.829 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.928 8.963 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.654 9.505 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.194 10.612 5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.858 10.914 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.313 12.559 7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.101 13.467 8.433 1.00 0.00 H new ATOM 1031 N SER A 66 -3.230 6.255 7.937 1.00 0.00 N ATOM 1032 CA SER A 66 -2.838 5.237 8.902 1.00 0.00 C ATOM 1033 C SER A 66 -1.627 4.497 8.341 1.00 0.00 C ATOM 1034 O SER A 66 -0.650 4.249 9.049 1.00 0.00 O ATOM 1035 CB SER A 66 -3.988 4.270 9.175 1.00 0.00 C ATOM 1036 OG SER A 66 -3.782 3.560 10.382 1.00 0.00 O ATOM 0 H SER A 66 -4.097 6.058 7.438 1.00 0.00 H new ATOM 0 HA SER A 66 -2.583 5.705 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.926 4.822 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.080 3.567 8.347 1.00 0.00 H new ATOM 0 HG SER A 66 -4.632 3.479 10.863 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.693 4.196 7.035 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.605 3.543 6.322 1.00 0.00 C ATOM 1044 C LEU A 67 0.675 4.381 6.475 1.00 0.00 C ATOM 1045 O LEU A 67 1.714 3.888 6.936 1.00 0.00 O ATOM 1046 CB LEU A 67 -1.006 3.380 4.839 1.00 0.00 C ATOM 1047 CG LEU A 67 0.034 3.814 3.810 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.229 2.884 3.866 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.576 3.822 2.419 1.00 0.00 C ATOM 0 H LEU A 67 -2.504 4.402 6.452 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.410 2.553 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.247 2.332 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.919 3.950 4.666 1.00 0.00 H new ATOM 0 HG LEU A 67 0.368 4.825 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.969 3.198 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.671 2.919 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.908 1.866 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.176 4.133 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.928 2.821 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.415 4.518 2.393 1.00 0.00 H new ATOM 1061 N ILE A 68 0.573 5.665 6.114 1.00 0.00 N ATOM 1062 CA ILE A 68 1.692 6.594 6.229 1.00 0.00 C ATOM 1063 C ILE A 68 2.090 6.765 7.696 1.00 0.00 C ATOM 1064 O ILE A 68 3.273 6.861 8.010 1.00 0.00 O ATOM 1065 CB ILE A 68 1.348 7.971 5.591 1.00 0.00 C ATOM 1066 CG1 ILE A 68 2.468 8.433 4.650 1.00 0.00 C ATOM 1067 CG2 ILE A 68 1.083 9.030 6.656 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.789 7.457 3.537 1.00 0.00 C ATOM 0 H ILE A 68 -0.279 6.081 5.739 1.00 0.00 H new ATOM 0 HA ILE A 68 2.538 6.176 5.683 1.00 0.00 H new ATOM 0 HB ILE A 68 0.435 7.841 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.185 9.389 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.370 8.607 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.846 9.979 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.243 8.719 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.970 9.150 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.591 7.861 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.106 6.507 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.902 7.300 2.923 1.00 0.00 H new ATOM 1080 N LYS A 69 1.089 6.778 8.588 1.00 0.00 N ATOM 1081 CA LYS A 69 1.325 6.911 10.028 1.00 0.00 C ATOM 1082 C LYS A 69 2.303 5.835 10.502 1.00 0.00 C ATOM 1083 O LYS A 69 3.158 6.086 11.352 1.00 0.00 O ATOM 1084 CB LYS A 69 -0.005 6.826 10.795 1.00 0.00 C ATOM 1085 CG LYS A 69 0.046 5.992 12.069 1.00 0.00 C ATOM 1086 CD LYS A 69 0.318 6.838 13.304 1.00 0.00 C ATOM 1087 CE LYS A 69 1.529 7.742 13.126 1.00 0.00 C ATOM 1088 NZ LYS A 69 1.579 8.821 14.151 1.00 0.00 N ATOM 0 H LYS A 69 0.105 6.697 8.333 1.00 0.00 H new ATOM 0 HA LYS A 69 1.769 7.886 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.326 7.836 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.764 6.408 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.900 5.465 12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.823 5.233 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.558 7.447 13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.477 6.185 14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.439 7.144 13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.505 8.188 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.230 9.568 13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.628 9.222 14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.913 8.427 15.054 1.00 0.00 H new ATOM 1102 N GLU A 70 2.188 4.643 9.925 1.00 0.00 N ATOM 1103 CA GLU A 70 3.084 3.549 10.267 1.00 0.00 C ATOM 1104 C GLU A 70 4.455 3.816 9.660 1.00 0.00 C ATOM 1105 O GLU A 70 5.482 3.527 10.272 1.00 0.00 O ATOM 1106 CB GLU A 70 2.534 2.210 9.763 1.00 0.00 C ATOM 1107 CG GLU A 70 1.196 1.823 10.378 1.00 0.00 C ATOM 1108 CD GLU A 70 1.116 2.135 11.861 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.881 1.528 12.639 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.290 2.988 12.244 1.00 0.00 O ATOM 0 H GLU A 70 1.486 4.413 9.222 1.00 0.00 H new ATOM 0 HA GLU A 70 3.168 3.488 11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.425 2.258 8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.261 1.426 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.396 2.350 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.027 0.757 10.226 1.00 0.00 H new ATOM 1117 N VAL A 71 4.460 4.390 8.452 1.00 0.00 N ATOM 1118 CA VAL A 71 5.707 4.717 7.770 1.00 0.00 C ATOM 1119 C VAL A 71 6.520 5.742 8.566 1.00 0.00 C ATOM 1120 O VAL A 71 7.718 5.560 8.784 1.00 0.00 O ATOM 1121 CB VAL A 71 5.467 5.305 6.357 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.793 5.513 5.647 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.544 4.428 5.520 1.00 0.00 C ATOM 0 H VAL A 71 3.617 4.635 7.933 1.00 0.00 H new ATOM 0 HA VAL A 71 6.253 3.777 7.684 1.00 0.00 H new ATOM 0 HB VAL A 71 4.970 6.267 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.613 5.927 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.409 6.204 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.310 4.558 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.405 4.880 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.988 3.439 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.579 4.337 6.018 1.00 0.00 H new ATOM 1133 N GLU A 72 5.855 6.826 8.985 1.00 0.00 N ATOM 1134 CA GLU A 72 6.509 7.897 9.744 1.00 0.00 C ATOM 1135 C GLU A 72 7.063 7.375 11.065 1.00 0.00 C ATOM 1136 O GLU A 72 8.207 7.658 11.419 1.00 0.00 O ATOM 1137 CB GLU A 72 5.549 9.069 9.992 1.00 0.00 C ATOM 1138 CG GLU A 72 4.090 8.668 10.162 1.00 0.00 C ATOM 1139 CD GLU A 72 3.273 9.722 10.888 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.571 10.001 12.068 1.00 0.00 O ATOM 1141 OE2 GLU A 72 2.334 10.270 10.274 1.00 0.00 O ATOM 0 H GLU A 72 4.863 6.984 8.810 1.00 0.00 H new ATOM 0 HA GLU A 72 7.342 8.261 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.872 9.603 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.626 9.767 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.651 8.486 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.037 7.730 10.714 1.00 0.00 H new ATOM 1148 N ALA A 73 6.253 6.593 11.775 1.00 0.00 N ATOM 1149 CA ALA A 73 6.672 6.006 13.045 1.00 0.00 C ATOM 1150 C ALA A 73 7.823 5.017 12.838 1.00 0.00 C ATOM 1151 O ALA A 73 8.538 4.676 13.782 1.00 0.00 O ATOM 1152 CB ALA A 73 5.494 5.305 13.700 1.00 0.00 C ATOM 0 H ALA A 73 5.303 6.351 11.492 1.00 0.00 H new ATOM 0 HA ALA A 73 7.025 6.806 13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.811 4.869 14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.697 6.026 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.128 4.517 13.042 1.00 0.00 H new ATOM 1158 N GLY A 74 7.981 4.551 11.594 1.00 0.00 N ATOM 1159 CA GLY A 74 9.022 3.598 11.263 1.00 0.00 C ATOM 1160 C GLY A 74 8.606 2.178 11.612 1.00 0.00 C ATOM 1161 O GLY A 74 9.286 1.488 12.373 1.00 0.00 O ATOM 0 H GLY A 74 7.395 4.825 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.250 3.661 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.935 3.854 11.800 1.00 0.00 H new ATOM 1165 N ASN A 75 7.465 1.760 11.057 1.00 0.00 N ATOM 1166 CA ASN A 75 6.903 0.435 11.297 1.00 0.00 C ATOM 1167 C ASN A 75 6.695 -0.319 9.983 1.00 0.00 C ATOM 1168 O ASN A 75 7.134 -1.455 9.836 1.00 0.00 O ATOM 1169 CB ASN A 75 5.558 0.586 12.013 1.00 0.00 C ATOM 1170 CG ASN A 75 5.679 0.599 13.523 1.00 0.00 C ATOM 1171 OD1 ASN A 75 6.750 0.361 14.082 1.00 0.00 O ATOM 1172 ND2 ASN A 75 4.567 0.880 14.192 1.00 0.00 N ATOM 0 H ASN A 75 6.906 2.335 10.427 1.00 0.00 H new ATOM 0 HA ASN A 75 7.600 -0.134 11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.082 1.511 11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.902 -0.232 11.715 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.578 0.905 15.212 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.702 1.071 13.686 1.00 0.00 H new ATOM 1179 N VAL A 76 6.006 0.313 9.037 1.00 0.00 N ATOM 1180 CA VAL A 76 5.725 -0.310 7.745 1.00 0.00 C ATOM 1181 C VAL A 76 7.010 -0.730 7.017 1.00 0.00 C ATOM 1182 O VAL A 76 7.575 0.034 6.236 1.00 0.00 O ATOM 1183 CB VAL A 76 4.908 0.631 6.835 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.661 1.907 6.551 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.538 -0.068 5.540 1.00 0.00 C ATOM 0 H VAL A 76 5.632 1.256 9.140 1.00 0.00 H new ATOM 0 HA VAL A 76 5.139 -1.204 7.956 1.00 0.00 H new ATOM 0 HB VAL A 76 3.991 0.893 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.059 2.549 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.868 2.424 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.601 1.671 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.962 0.611 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.446 -0.366 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.940 -0.952 5.762 1.00 0.00 H new ATOM 1195 N GLU A 77 7.456 -1.957 7.265 1.00 0.00 N ATOM 1196 CA GLU A 77 8.662 -2.478 6.621 1.00 0.00 C ATOM 1197 C GLU A 77 8.379 -2.938 5.186 1.00 0.00 C ATOM 1198 O GLU A 77 9.303 -3.263 4.442 1.00 0.00 O ATOM 1199 CB GLU A 77 9.249 -3.633 7.438 1.00 0.00 C ATOM 1200 CG GLU A 77 8.485 -4.940 7.295 1.00 0.00 C ATOM 1201 CD GLU A 77 9.277 -6.152 7.758 1.00 0.00 C ATOM 1202 OE1 GLU A 77 10.522 -6.143 7.632 1.00 0.00 O ATOM 1203 OE2 GLU A 77 8.651 -7.115 8.243 1.00 0.00 O ATOM 0 H GLU A 77 7.004 -2.610 7.905 1.00 0.00 H new ATOM 0 HA GLU A 77 9.389 -1.667 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.283 -3.793 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.268 -3.348 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.561 -4.877 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.203 -5.076 6.251 1.00 0.00 H new ATOM 1210 N THR A 78 7.100 -2.975 4.806 1.00 0.00 N ATOM 1211 CA THR A 78 6.709 -3.408 3.468 1.00 0.00 C ATOM 1212 C THR A 78 5.382 -2.793 3.058 1.00 0.00 C ATOM 1213 O THR A 78 4.552 -2.474 3.905 1.00 0.00 O ATOM 1214 CB THR A 78 6.582 -4.927 3.411 1.00 0.00 C ATOM 1215 OG1 THR A 78 7.464 -5.559 4.322 1.00 0.00 O ATOM 1216 CG2 THR A 78 6.871 -5.478 2.043 1.00 0.00 C ATOM 0 H THR A 78 6.320 -2.710 5.407 1.00 0.00 H new ATOM 0 HA THR A 78 7.487 -3.076 2.780 1.00 0.00 H new ATOM 0 HB THR A 78 5.546 -5.138 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.356 -6.531 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.766 -6.563 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.168 -5.056 1.325 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.888 -5.216 1.753 1.00 0.00 H new ATOM 1224 N LEU A 79 5.180 -2.646 1.754 1.00 0.00 N ATOM 1225 CA LEU A 79 3.938 -2.091 1.242 1.00 0.00 C ATOM 1226 C LEU A 79 3.344 -2.986 0.166 1.00 0.00 C ATOM 1227 O LEU A 79 3.954 -3.219 -0.875 1.00 0.00 O ATOM 1228 CB LEU A 79 4.150 -0.697 0.667 1.00 0.00 C ATOM 1229 CG LEU A 79 2.903 0.205 0.585 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.625 -0.605 0.475 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.816 1.129 1.781 1.00 0.00 C ATOM 0 H LEU A 79 5.858 -2.903 1.037 1.00 0.00 H new ATOM 0 HA LEU A 79 3.247 -2.028 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.901 -0.188 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.564 -0.800 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 79 3.010 0.803 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.770 0.069 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.660 -1.220 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.525 -1.247 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.926 1.753 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.757 0.537 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.702 1.763 1.816 1.00 0.00 H new ATOM 1243 N ILE A 80 2.143 -3.461 0.429 1.00 0.00 N ATOM 1244 CA ILE A 80 1.422 -4.312 -0.501 1.00 0.00 C ATOM 1245 C ILE A 80 0.202 -3.573 -1.057 1.00 0.00 C ATOM 1246 O ILE A 80 -0.728 -3.234 -0.318 1.00 0.00 O ATOM 1247 CB ILE A 80 0.989 -5.630 0.177 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.130 -6.645 0.123 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.259 -6.202 -0.474 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.287 -6.305 1.033 1.00 0.00 C ATOM 0 H ILE A 80 1.638 -3.269 1.294 1.00 0.00 H new ATOM 0 HA ILE A 80 2.091 -4.560 -1.325 1.00 0.00 H new ATOM 0 HB ILE A 80 0.752 -5.414 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.744 -7.628 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.494 -6.716 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.538 -7.129 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.075 -5.484 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.061 -6.403 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.059 -7.069 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.700 -5.337 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.938 -6.263 2.065 1.00 0.00 H new ATOM 1262 N VAL A 81 0.226 -3.324 -2.365 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.860 -2.626 -3.046 1.00 0.00 C ATOM 1264 C VAL A 81 -1.253 -3.361 -4.328 1.00 0.00 C ATOM 1265 O VAL A 81 -0.414 -3.998 -4.971 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.465 -1.180 -3.432 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.678 -0.412 -3.928 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.183 -0.429 -2.269 1.00 0.00 C ATOM 0 H VAL A 81 0.994 -3.599 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.696 -2.598 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 81 0.272 -1.253 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.382 0.603 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.092 -0.912 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.432 -0.375 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.443 0.581 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.516 -0.378 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.085 -0.954 -1.955 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.523 -3.243 -4.713 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.015 -3.869 -5.937 1.00 0.00 C ATOM 1280 C LYS A 82 -2.223 -3.372 -7.148 1.00 0.00 C ATOM 1281 O LYS A 82 -2.004 -4.113 -8.098 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.496 -3.557 -6.127 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.343 -4.789 -6.352 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.195 -5.287 -7.774 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.131 -6.804 -7.832 1.00 0.00 C ATOM 1286 NZ LYS A 82 -6.321 -7.392 -8.507 1.00 0.00 N ATOM 0 H LYS A 82 -3.229 -2.720 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.884 -4.948 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.864 -3.027 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.612 -2.884 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.047 -5.572 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.389 -4.560 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.035 -4.935 -8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.291 -4.867 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.228 -7.108 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.056 -7.202 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.302 -8.427 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.188 -7.017 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.305 -7.144 -9.517 1.00 0.00 H new ATOM 1300 N ASP A 83 -1.801 -2.108 -7.095 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.024 -1.487 -8.172 1.00 0.00 C ATOM 1302 C ASP A 83 -0.615 -0.060 -7.801 1.00 0.00 C ATOM 1303 O ASP A 83 -1.199 0.552 -6.906 1.00 0.00 O ATOM 1304 CB ASP A 83 -1.818 -1.474 -9.481 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.268 -1.084 -9.282 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -3.524 0.089 -8.942 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.147 -1.952 -9.465 1.00 0.00 O ATOM 0 H ASP A 83 -1.987 -1.487 -6.308 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.123 -2.084 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.351 -0.777 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.771 -2.462 -9.939 1.00 0.00 H new ATOM 1312 N MET A 84 0.394 0.463 -8.501 1.00 0.00 N ATOM 1313 CA MET A 84 0.893 1.819 -8.257 1.00 0.00 C ATOM 1314 C MET A 84 -0.175 2.893 -8.511 1.00 0.00 C ATOM 1315 O MET A 84 0.029 4.057 -8.161 1.00 0.00 O ATOM 1316 CB MET A 84 2.111 2.098 -9.143 1.00 0.00 C ATOM 1317 CG MET A 84 3.437 1.729 -8.499 1.00 0.00 C ATOM 1318 SD MET A 84 4.138 3.075 -7.531 1.00 0.00 S ATOM 1319 CE MET A 84 4.059 2.376 -5.887 1.00 0.00 C ATOM 0 H MET A 84 0.884 -0.034 -9.245 1.00 0.00 H new ATOM 0 HA MET A 84 1.171 1.870 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.004 1.544 -10.076 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.126 3.157 -9.401 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.295 0.860 -7.856 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.145 1.438 -9.275 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.007 2.542 -5.375 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.255 2.854 -5.327 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.867 1.305 -5.956 1.00 0.00 H new ATOM 1329 N SER A 85 -1.306 2.513 -9.120 1.00 0.00 N ATOM 1330 CA SER A 85 -2.375 3.467 -9.410 1.00 0.00 C ATOM 1331 C SER A 85 -2.986 4.029 -8.126 1.00 0.00 C ATOM 1332 O SER A 85 -3.425 5.180 -8.099 1.00 0.00 O ATOM 1333 CB SER A 85 -3.461 2.817 -10.272 1.00 0.00 C ATOM 1334 OG SER A 85 -2.896 2.010 -11.291 1.00 0.00 O ATOM 0 H SER A 85 -1.500 1.557 -9.418 1.00 0.00 H new ATOM 0 HA SER A 85 -1.934 4.295 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.112 2.210 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.083 3.591 -10.721 1.00 0.00 H new ATOM 0 HG SER A 85 -2.839 1.082 -10.980 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.004 3.218 -7.061 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.555 3.649 -5.774 1.00 0.00 C ATOM 1342 C ARG A 86 -2.934 4.977 -5.338 1.00 0.00 C ATOM 1343 O ARG A 86 -3.648 5.941 -5.060 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.324 2.580 -4.698 1.00 0.00 C ATOM 1345 CG ARG A 86 -3.959 1.231 -5.014 1.00 0.00 C ATOM 1346 CD ARG A 86 -5.421 1.356 -5.386 1.00 0.00 C ATOM 1347 NE ARG A 86 -6.095 0.063 -5.317 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.319 -0.729 -6.366 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -5.961 -0.355 -7.590 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -6.903 -1.906 -6.188 1.00 0.00 N ATOM 0 H ARG A 86 -2.644 2.264 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.629 3.790 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.251 2.442 -4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.720 2.943 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.417 0.760 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.861 0.575 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.911 2.061 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.509 1.762 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.417 -0.257 -4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.509 0.548 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.138 -0.971 -8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.179 -2.202 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.076 -2.515 -6.987 1.00 0.00 H new ATOM 1364 N LEU A 87 -1.601 5.019 -5.289 1.00 0.00 N ATOM 1365 CA LEU A 87 -0.880 6.234 -4.896 1.00 0.00 C ATOM 1366 C LEU A 87 -0.733 7.218 -6.060 1.00 0.00 C ATOM 1367 O LEU A 87 -0.481 8.405 -5.838 1.00 0.00 O ATOM 1368 CB LEU A 87 0.499 5.870 -4.338 1.00 0.00 C ATOM 1369 CG LEU A 87 0.485 5.159 -2.981 1.00 0.00 C ATOM 1370 CD1 LEU A 87 0.311 3.661 -3.162 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.760 5.458 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 -0.999 4.228 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.468 6.728 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.009 5.232 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.089 6.782 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.362 5.536 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.304 3.175 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.631 3.463 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.136 3.268 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.731 4.944 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.622 5.112 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.842 6.532 -2.040 1.00 0.00 H new ATOM 1383 N GLY A 88 -0.900 6.735 -7.294 1.00 0.00 N ATOM 1384 CA GLY A 88 -0.791 7.606 -8.452 1.00 0.00 C ATOM 1385 C GLY A 88 0.268 7.160 -9.437 1.00 0.00 C ATOM 1386 O GLY A 88 1.262 6.541 -9.055 1.00 0.00 O ATOM 0 H GLY A 88 -1.108 5.760 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.755 7.648 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.563 8.618 -8.117 1.00 0.00 H new ATOM 1390 N ARG A 89 0.058 7.491 -10.711 1.00 0.00 N ATOM 1391 CA ARG A 89 1.007 7.137 -11.762 1.00 0.00 C ATOM 1392 C ARG A 89 2.253 8.026 -11.694 1.00 0.00 C ATOM 1393 O ARG A 89 3.291 7.681 -12.256 1.00 0.00 O ATOM 1394 CB ARG A 89 0.347 7.244 -13.140 1.00 0.00 C ATOM 1395 CG ARG A 89 -0.687 6.158 -13.406 1.00 0.00 C ATOM 1396 CD ARG A 89 -0.328 5.318 -14.622 1.00 0.00 C ATOM 1397 NE ARG A 89 -1.445 5.205 -15.562 1.00 0.00 N ATOM 1398 CZ ARG A 89 -1.385 4.545 -16.721 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -0.267 3.924 -17.090 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -2.448 4.506 -17.516 1.00 0.00 N ATOM 0 H ARG A 89 -0.761 8.003 -11.038 1.00 0.00 H new ATOM 0 HA ARG A 89 1.317 6.104 -11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.131 8.219 -13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.119 7.195 -13.908 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.769 5.513 -12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.664 6.617 -13.557 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.529 5.762 -15.129 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.025 4.322 -14.298 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.324 5.659 -15.316 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.554 3.950 -16.485 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.231 3.422 -17.977 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.308 4.980 -17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.404 4.002 -18.402 1.00 0.00 H new ATOM 1414 N ASN A 90 2.139 9.166 -10.993 1.00 0.00 N ATOM 1415 CA ASN A 90 3.253 10.109 -10.833 1.00 0.00 C ATOM 1416 C ASN A 90 4.409 9.463 -10.065 1.00 0.00 C ATOM 1417 O ASN A 90 4.577 9.682 -8.864 1.00 0.00 O ATOM 1418 CB ASN A 90 2.792 11.381 -10.105 1.00 0.00 C ATOM 1419 CG ASN A 90 1.774 11.100 -9.009 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.568 11.107 -9.254 1.00 0.00 O ATOM 1421 ND2 ASN A 90 2.254 10.844 -7.797 1.00 0.00 N ATOM 0 H ASN A 90 1.280 9.456 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 90 3.602 10.381 -11.829 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.659 11.879 -9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.358 12.071 -10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.615 10.643 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.261 10.848 -7.636 1.00 0.00 H new ATOM 1428 N TYR A 91 5.197 8.665 -10.779 1.00 0.00 N ATOM 1429 CA TYR A 91 6.344 7.957 -10.209 1.00 0.00 C ATOM 1430 C TYR A 91 7.339 8.897 -9.508 1.00 0.00 C ATOM 1431 O TYR A 91 8.189 8.436 -8.743 1.00 0.00 O ATOM 1432 CB TYR A 91 7.025 7.156 -11.321 1.00 0.00 C ATOM 1433 CG TYR A 91 8.230 6.340 -10.896 1.00 0.00 C ATOM 1434 CD1 TYR A 91 9.503 6.893 -10.910 1.00 0.00 C ATOM 1435 CD2 TYR A 91 8.098 5.009 -10.513 1.00 0.00 C ATOM 1436 CE1 TYR A 91 10.609 6.150 -10.556 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.203 4.257 -10.151 1.00 0.00 C ATOM 1438 CZ TYR A 91 10.455 4.834 -10.178 1.00 0.00 C ATOM 1439 OH TYR A 91 11.559 4.094 -9.827 1.00 0.00 O ATOM 0 H TYR A 91 5.059 8.489 -11.774 1.00 0.00 H new ATOM 0 HA TYR A 91 5.981 7.284 -9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.290 6.483 -11.762 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.335 7.847 -12.105 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.629 7.925 -11.204 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.118 4.555 -10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.592 6.597 -10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.085 3.227 -9.850 1.00 0.00 H new ATOM 0 HH TYR A 91 11.337 3.516 -9.068 1.00 0.00 H new ATOM 1449 N LEU A 92 7.225 10.209 -9.746 1.00 0.00 N ATOM 1450 CA LEU A 92 8.112 11.179 -9.108 1.00 0.00 C ATOM 1451 C LEU A 92 7.842 11.223 -7.606 1.00 0.00 C ATOM 1452 O LEU A 92 8.739 10.990 -6.794 1.00 0.00 O ATOM 1453 CB LEU A 92 7.919 12.574 -9.707 1.00 0.00 C ATOM 1454 CG LEU A 92 8.307 12.710 -11.177 1.00 0.00 C ATOM 1455 CD1 LEU A 92 7.246 12.076 -12.058 1.00 0.00 C ATOM 1456 CD2 LEU A 92 8.510 14.172 -11.545 1.00 0.00 C ATOM 0 H LEU A 92 6.531 10.618 -10.372 1.00 0.00 H new ATOM 0 HA LEU A 92 9.141 10.866 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.872 12.858 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.505 13.286 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 92 9.250 12.188 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.533 12.179 -13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.151 11.019 -11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.291 12.574 -11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.786 14.248 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.585 14.723 -11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.304 14.595 -10.930 1.00 0.00 H new ATOM 1468 N GLN A 93 6.587 11.511 -7.253 1.00 0.00 N ATOM 1469 CA GLN A 93 6.165 11.577 -5.856 1.00 0.00 C ATOM 1470 C GLN A 93 6.051 10.178 -5.258 1.00 0.00 C ATOM 1471 O GLN A 93 6.544 9.930 -4.157 1.00 0.00 O ATOM 1472 CB GLN A 93 4.823 12.302 -5.746 1.00 0.00 C ATOM 1473 CG GLN A 93 4.939 13.817 -5.708 1.00 0.00 C ATOM 1474 CD GLN A 93 5.774 14.324 -4.547 1.00 0.00 C ATOM 1475 OE1 GLN A 93 6.999 14.214 -4.552 1.00 0.00 O ATOM 1476 NE2 GLN A 93 5.112 14.890 -3.544 1.00 0.00 N ATOM 0 H GLN A 93 5.842 11.703 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 93 6.919 12.131 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.198 12.017 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.312 11.964 -4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.379 14.165 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.941 14.250 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.095 14.961 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.621 15.254 -2.738 1.00 0.00 H new ATOM 1485 N VAL A 94 5.415 9.258 -5.993 1.00 0.00 N ATOM 1486 CA VAL A 94 5.266 7.880 -5.517 1.00 0.00 C ATOM 1487 C VAL A 94 6.645 7.300 -5.192 1.00 0.00 C ATOM 1488 O VAL A 94 6.839 6.656 -4.153 1.00 0.00 O ATOM 1489 CB VAL A 94 4.545 6.955 -6.536 1.00 0.00 C ATOM 1490 CG1 VAL A 94 3.952 5.750 -5.823 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.455 7.694 -7.305 1.00 0.00 C ATOM 0 H VAL A 94 5.001 9.440 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 94 4.641 7.919 -4.625 1.00 0.00 H new ATOM 0 HB VAL A 94 5.290 6.621 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.449 5.109 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.748 5.189 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.233 6.087 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.977 7.010 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.711 8.075 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.897 8.526 -7.854 1.00 0.00 H new ATOM 1501 N GLY A 95 7.612 7.571 -6.076 1.00 0.00 N ATOM 1502 CA GLY A 95 8.967 7.109 -5.856 1.00 0.00 C ATOM 1503 C GLY A 95 9.549 7.717 -4.605 1.00 0.00 C ATOM 1504 O GLY A 95 10.067 7.000 -3.760 1.00 0.00 O ATOM 0 H GLY A 95 7.474 8.101 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.976 6.022 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.587 7.369 -6.714 1.00 0.00 H new ATOM 1508 N PHE A 96 9.432 9.046 -4.477 1.00 0.00 N ATOM 1509 CA PHE A 96 9.921 9.757 -3.295 1.00 0.00 C ATOM 1510 C PHE A 96 9.536 8.985 -2.036 1.00 0.00 C ATOM 1511 O PHE A 96 10.347 8.805 -1.131 1.00 0.00 O ATOM 1512 CB PHE A 96 9.334 11.180 -3.253 1.00 0.00 C ATOM 1513 CG PHE A 96 9.194 11.758 -1.868 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.142 11.384 -1.040 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.114 12.677 -1.395 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.016 11.916 0.226 1.00 0.00 C ATOM 1517 CE2 PHE A 96 9.992 13.212 -0.127 1.00 0.00 C ATOM 1518 CZ PHE A 96 8.942 12.831 0.683 1.00 0.00 C ATOM 0 H PHE A 96 9.002 9.648 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 96 11.007 9.833 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.969 11.839 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.354 11.169 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.414 10.668 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.938 12.980 -2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.194 11.617 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.718 13.928 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.845 13.249 1.674 1.00 0.00 H new ATOM 1528 N TYR A 97 8.290 8.517 -2.003 1.00 0.00 N ATOM 1529 CA TYR A 97 7.790 7.751 -0.873 1.00 0.00 C ATOM 1530 C TYR A 97 8.590 6.469 -0.689 1.00 0.00 C ATOM 1531 O TYR A 97 9.042 6.172 0.407 1.00 0.00 O ATOM 1532 CB TYR A 97 6.311 7.415 -1.070 1.00 0.00 C ATOM 1533 CG TYR A 97 5.406 8.578 -0.762 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.208 8.997 0.546 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.766 9.269 -1.778 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.394 10.071 0.831 1.00 0.00 C ATOM 1537 CE2 TYR A 97 3.949 10.343 -1.501 1.00 0.00 C ATOM 1538 CZ TYR A 97 3.765 10.742 -0.195 1.00 0.00 C ATOM 1539 OH TYR A 97 2.952 11.813 0.084 1.00 0.00 O ATOM 0 H TYR A 97 7.610 8.658 -2.750 1.00 0.00 H new ATOM 0 HA TYR A 97 7.901 8.362 0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.149 7.096 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.045 6.573 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.699 8.473 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.910 8.961 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.249 10.386 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.455 10.870 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 97 2.587 12.173 -0.751 1.00 0.00 H new ATOM 1549 N THR A 98 8.751 5.704 -1.765 1.00 0.00 N ATOM 1550 CA THR A 98 9.481 4.436 -1.693 1.00 0.00 C ATOM 1551 C THR A 98 11.015 4.602 -1.657 1.00 0.00 C ATOM 1552 O THR A 98 11.713 3.686 -1.220 1.00 0.00 O ATOM 1553 CB THR A 98 9.087 3.544 -2.872 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.257 4.224 -4.104 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.652 3.073 -2.803 1.00 0.00 C ATOM 0 H THR A 98 8.390 5.935 -2.691 1.00 0.00 H new ATOM 0 HA THR A 98 9.198 3.973 -0.748 1.00 0.00 H new ATOM 0 HB THR A 98 9.746 2.678 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.663 5.101 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.433 2.445 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.501 2.499 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.986 3.936 -2.804 1.00 0.00 H new ATOM 1563 N GLU A 99 11.546 5.735 -2.143 1.00 0.00 N ATOM 1564 CA GLU A 99 13.005 5.941 -2.181 1.00 0.00 C ATOM 1565 C GLU A 99 13.562 6.736 -1.000 1.00 0.00 C ATOM 1566 O GLU A 99 14.619 6.385 -0.486 1.00 0.00 O ATOM 1567 CB GLU A 99 13.433 6.609 -3.489 1.00 0.00 C ATOM 1568 CG GLU A 99 12.720 7.917 -3.786 1.00 0.00 C ATOM 1569 CD GLU A 99 13.670 9.095 -3.904 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.412 9.362 -2.935 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.672 9.753 -4.965 1.00 0.00 O ATOM 0 H GLU A 99 10.998 6.513 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 99 13.429 4.939 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.507 6.794 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.255 5.917 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.158 7.816 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.997 8.118 -2.996 1.00 0.00 H new ATOM 1578 N VAL A 100 12.896 7.819 -0.593 1.00 0.00 N ATOM 1579 CA VAL A 100 13.393 8.639 0.520 1.00 0.00 C ATOM 1580 C VAL A 100 12.546 8.497 1.791 1.00 0.00 C ATOM 1581 O VAL A 100 13.080 8.479 2.900 1.00 0.00 O ATOM 1582 CB VAL A 100 13.500 10.132 0.131 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.145 10.714 -0.235 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.138 10.932 1.254 1.00 0.00 C ATOM 0 H VAL A 100 12.024 8.147 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 100 14.390 8.257 0.739 1.00 0.00 H new ATOM 0 HB VAL A 100 14.137 10.198 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.260 11.764 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.731 10.167 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.470 10.629 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.205 11.980 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.530 10.844 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.138 10.546 1.453 1.00 0.00 H new ATOM 1594 N LEU A 101 11.230 8.432 1.620 1.00 0.00 N ATOM 1595 CA LEU A 101 10.294 8.332 2.744 1.00 0.00 C ATOM 1596 C LEU A 101 10.354 6.976 3.460 1.00 0.00 C ATOM 1597 O LEU A 101 10.595 6.915 4.660 1.00 0.00 O ATOM 1598 CB LEU A 101 8.866 8.575 2.244 1.00 0.00 C ATOM 1599 CG LEU A 101 7.948 9.335 3.202 1.00 0.00 C ATOM 1600 CD1 LEU A 101 7.885 8.634 4.553 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.424 10.770 3.371 1.00 0.00 C ATOM 0 H LEU A 101 10.780 8.447 0.705 1.00 0.00 H new ATOM 0 HA LEU A 101 10.588 9.092 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.918 9.127 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.410 7.610 2.021 1.00 0.00 H new ATOM 0 HG LEU A 101 6.945 9.351 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.227 9.190 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.498 7.623 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.885 8.586 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.759 11.296 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.436 10.772 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.418 11.272 2.403 1.00 0.00 H new ATOM 1613 N PHE A 102 10.078 5.907 2.717 1.00 0.00 N ATOM 1614 CA PHE A 102 10.034 4.540 3.254 1.00 0.00 C ATOM 1615 C PHE A 102 11.382 4.003 3.792 1.00 0.00 C ATOM 1616 O PHE A 102 11.389 3.186 4.704 1.00 0.00 O ATOM 1617 CB PHE A 102 9.504 3.596 2.173 1.00 0.00 C ATOM 1618 CG PHE A 102 8.035 3.761 1.859 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.379 4.942 2.157 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.312 2.734 1.259 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.042 5.103 1.868 1.00 0.00 C ATOM 1622 CE2 PHE A 102 5.970 2.891 0.969 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.334 4.078 1.273 1.00 0.00 C ATOM 0 H PHE A 102 9.877 5.960 1.718 1.00 0.00 H new ATOM 0 HA PHE A 102 9.372 4.580 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.077 3.753 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.682 2.568 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.923 5.750 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.805 1.804 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.547 6.032 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.419 2.086 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.286 4.204 1.046 1.00 0.00 H new ATOM 1633 N PRO A 103 12.535 4.408 3.230 1.00 0.00 N ATOM 1634 CA PRO A 103 13.862 3.924 3.668 1.00 0.00 C ATOM 1635 C PRO A 103 14.023 3.781 5.187 1.00 0.00 C ATOM 1636 O PRO A 103 14.732 2.888 5.653 1.00 0.00 O ATOM 1637 CB PRO A 103 14.786 5.012 3.149 1.00 0.00 C ATOM 1638 CG PRO A 103 14.134 5.490 1.902 1.00 0.00 C ATOM 1639 CD PRO A 103 12.650 5.341 2.101 1.00 0.00 C ATOM 0 HA PRO A 103 14.057 2.918 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.896 5.819 3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.785 4.623 2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.395 6.530 1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.469 4.908 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.179 6.298 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.165 4.948 1.207 1.00 0.00 H new ATOM 1647 N GLN A 104 13.378 4.668 5.947 1.00 0.00 N ATOM 1648 CA GLN A 104 13.462 4.647 7.421 1.00 0.00 C ATOM 1649 C GLN A 104 13.270 3.241 7.990 1.00 0.00 C ATOM 1650 O GLN A 104 13.891 2.884 8.991 1.00 0.00 O ATOM 1651 CB GLN A 104 12.427 5.580 8.073 1.00 0.00 C ATOM 1652 CG GLN A 104 11.835 6.617 7.137 1.00 0.00 C ATOM 1653 CD GLN A 104 10.812 7.515 7.808 1.00 0.00 C ATOM 1654 OE1 GLN A 104 9.614 7.240 7.772 1.00 0.00 O ATOM 1655 NE2 GLN A 104 11.279 8.599 8.420 1.00 0.00 N ATOM 0 H GLN A 104 12.790 5.413 5.573 1.00 0.00 H new ATOM 0 HA GLN A 104 14.466 4.998 7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.618 4.975 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.897 6.093 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.639 7.232 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.366 6.110 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 104 12.281 8.789 8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.635 9.240 8.884 1.00 0.00 H new ATOM 1664 N LYS A 105 12.390 2.456 7.366 1.00 0.00 N ATOM 1665 CA LYS A 105 12.104 1.103 7.839 1.00 0.00 C ATOM 1666 C LYS A 105 12.461 0.021 6.807 1.00 0.00 C ATOM 1667 O LYS A 105 12.122 -1.147 7.008 1.00 0.00 O ATOM 1668 CB LYS A 105 10.616 0.972 8.221 1.00 0.00 C ATOM 1669 CG LYS A 105 9.910 2.292 8.526 1.00 0.00 C ATOM 1670 CD LYS A 105 8.721 2.531 7.618 1.00 0.00 C ATOM 1671 CE LYS A 105 9.160 3.027 6.258 1.00 0.00 C ATOM 1672 NZ LYS A 105 8.291 2.516 5.160 1.00 0.00 N ATOM 0 H LYS A 105 11.866 2.733 6.536 1.00 0.00 H new ATOM 0 HA LYS A 105 12.733 0.943 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.089 0.475 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.536 0.324 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.578 2.292 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 105 10.618 3.114 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.155 1.606 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.052 3.260 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.148 4.117 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.190 2.719 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.832 2.491 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.964 1.557 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.469 3.144 5.047 1.00 0.00 H new ATOM 1686 N ASN A 106 13.132 0.399 5.705 1.00 0.00 N ATOM 1687 CA ASN A 106 13.500 -0.565 4.661 1.00 0.00 C ATOM 1688 C ASN A 106 12.234 -1.216 4.110 1.00 0.00 C ATOM 1689 O ASN A 106 11.765 -2.235 4.620 1.00 0.00 O ATOM 1690 CB ASN A 106 14.472 -1.606 5.218 1.00 0.00 C ATOM 1691 CG ASN A 106 14.855 -2.662 4.203 1.00 0.00 C ATOM 1692 OD1 ASN A 106 14.204 -3.700 4.093 1.00 0.00 O ATOM 1693 ND2 ASN A 106 15.920 -2.402 3.457 1.00 0.00 N ATOM 0 H ASN A 106 13.427 1.357 5.518 1.00 0.00 H new ATOM 0 HA ASN A 106 14.008 -0.051 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.373 -1.103 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.020 -2.090 6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.229 -3.076 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.430 -1.527 3.583 1.00 0.00 H new ATOM 1700 N VAL A 107 11.655 -0.565 3.107 1.00 0.00 N ATOM 1701 CA VAL A 107 10.396 -0.999 2.512 1.00 0.00 C ATOM 1702 C VAL A 107 10.524 -1.790 1.219 1.00 0.00 C ATOM 1703 O VAL A 107 11.416 -1.565 0.399 1.00 0.00 O ATOM 1704 CB VAL A 107 9.481 0.194 2.237 1.00 0.00 C ATOM 1705 CG1 VAL A 107 9.780 0.785 0.859 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.029 -0.245 2.362 1.00 0.00 C ATOM 0 H VAL A 107 12.045 0.277 2.684 1.00 0.00 H new ATOM 0 HA VAL A 107 9.976 -1.671 3.261 1.00 0.00 H new ATOM 0 HB VAL A 107 9.665 0.978 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.121 1.634 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.818 1.117 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.615 0.026 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.374 0.604 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.824 -1.035 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.847 -0.619 3.370 1.00 0.00 H new ATOM 1716 N ARG A 108 9.553 -2.675 1.040 1.00 0.00 N ATOM 1717 CA ARG A 108 9.427 -3.482 -0.150 1.00 0.00 C ATOM 1718 C ARG A 108 8.040 -3.235 -0.717 1.00 0.00 C ATOM 1719 O ARG A 108 7.058 -3.842 -0.287 1.00 0.00 O ATOM 1720 CB ARG A 108 9.645 -4.965 0.152 1.00 0.00 C ATOM 1721 CG ARG A 108 10.344 -5.713 -0.969 1.00 0.00 C ATOM 1722 CD ARG A 108 9.417 -5.923 -2.155 1.00 0.00 C ATOM 1723 NE ARG A 108 8.608 -7.133 -2.009 1.00 0.00 N ATOM 1724 CZ ARG A 108 8.839 -8.278 -2.657 1.00 0.00 C ATOM 1725 NH1 ARG A 108 9.855 -8.387 -3.510 1.00 0.00 N ATOM 1726 NH2 ARG A 108 8.045 -9.322 -2.452 1.00 0.00 N ATOM 0 H ARG A 108 8.824 -2.850 1.732 1.00 0.00 H new ATOM 0 HA ARG A 108 10.192 -3.204 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.234 -5.059 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.680 -5.434 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.225 -5.155 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.693 -6.678 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 108 8.761 -5.059 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 108 10.007 -5.989 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 108 7.814 -7.100 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.469 -7.590 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.019 -9.268 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.262 -9.248 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.217 -10.198 -2.945 1.00 0.00 H new ATOM 1740 N PHE A 109 7.958 -2.298 -1.651 1.00 0.00 N ATOM 1741 CA PHE A 109 6.680 -1.927 -2.232 1.00 0.00 C ATOM 1742 C PHE A 109 6.250 -2.930 -3.295 1.00 0.00 C ATOM 1743 O PHE A 109 7.074 -3.428 -4.064 1.00 0.00 O ATOM 1744 CB PHE A 109 6.765 -0.532 -2.842 1.00 0.00 C ATOM 1745 CG PHE A 109 5.479 0.234 -2.763 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.413 -0.081 -3.587 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.345 1.275 -1.866 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.233 0.631 -3.518 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.173 1.996 -1.789 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.112 1.674 -2.617 1.00 0.00 C ATOM 0 H PHE A 109 8.758 -1.784 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 109 5.935 -1.928 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.546 0.032 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.064 -0.618 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.506 -0.894 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.170 1.528 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.407 0.375 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.083 2.810 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.191 2.236 -2.560 1.00 0.00 H new ATOM 1760 N LEU A 110 4.955 -3.228 -3.324 1.00 0.00 N ATOM 1761 CA LEU A 110 4.414 -4.178 -4.282 1.00 0.00 C ATOM 1762 C LEU A 110 3.215 -3.599 -5.018 1.00 0.00 C ATOM 1763 O LEU A 110 2.257 -3.120 -4.408 1.00 0.00 O ATOM 1764 CB LEU A 110 4.035 -5.485 -3.573 1.00 0.00 C ATOM 1765 CG LEU A 110 3.164 -6.472 -4.365 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.704 -6.046 -4.347 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.668 -6.623 -5.795 1.00 0.00 C ATOM 0 H LEU A 110 4.263 -2.824 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 110 5.185 -4.390 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.954 -5.996 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.511 -5.233 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 110 3.237 -7.445 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.109 -6.762 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.347 -6.013 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.608 -5.057 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.033 -7.327 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.640 -5.655 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.692 -6.995 -5.782 1.00 0.00 H new ATOM 1779 N ALA A 111 3.280 -3.686 -6.336 1.00 0.00 N ATOM 1780 CA ALA A 111 2.213 -3.224 -7.208 1.00 0.00 C ATOM 1781 C ALA A 111 1.793 -4.388 -8.089 1.00 0.00 C ATOM 1782 O ALA A 111 2.483 -4.735 -9.046 1.00 0.00 O ATOM 1783 CB ALA A 111 2.664 -2.026 -8.029 1.00 0.00 C ATOM 0 H ALA A 111 4.078 -4.081 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 111 1.359 -2.888 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.848 -1.699 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.947 -1.213 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.520 -2.307 -8.642 1.00 0.00 H new ATOM 1789 N ILE A 112 0.703 -5.038 -7.714 1.00 0.00 N ATOM 1790 CA ILE A 112 0.239 -6.228 -8.428 1.00 0.00 C ATOM 1791 C ILE A 112 -0.098 -5.995 -9.914 1.00 0.00 C ATOM 1792 O ILE A 112 0.311 -6.787 -10.762 1.00 0.00 O ATOM 1793 CB ILE A 112 -0.969 -6.866 -7.705 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.495 -7.547 -6.419 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.681 -7.863 -8.607 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.435 -7.373 -5.248 1.00 0.00 C ATOM 0 H ILE A 112 0.121 -4.766 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 112 1.087 -6.913 -8.418 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.681 -6.080 -7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.364 -8.612 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.483 -7.149 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.527 -8.297 -8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.039 -7.353 -9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.988 -8.654 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.028 -7.884 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.548 -6.312 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.408 -7.797 -5.496 1.00 0.00 H new ATOM 1808 N ASN A 113 -0.862 -4.949 -10.228 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.265 -4.686 -11.618 1.00 0.00 C ATOM 1810 C ASN A 113 -0.344 -3.695 -12.341 1.00 0.00 C ATOM 1811 O ASN A 113 -0.812 -2.908 -13.164 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.707 -4.170 -11.657 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.725 -5.246 -11.331 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -3.553 -6.411 -11.687 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -4.797 -4.859 -10.653 1.00 0.00 N ATOM 0 H ASN A 113 -1.214 -4.273 -9.550 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.186 -5.636 -12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -2.814 -3.349 -10.948 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.917 -3.766 -12.647 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -5.518 -5.538 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -4.901 -3.883 -10.377 1.00 0.00 H new ATOM 1822 N ASN A 114 0.959 -3.744 -12.053 1.00 0.00 N ATOM 1823 CA ASN A 114 1.926 -2.851 -12.706 1.00 0.00 C ATOM 1824 C ASN A 114 3.325 -3.023 -12.119 1.00 0.00 C ATOM 1825 O ASN A 114 3.477 -3.277 -10.925 1.00 0.00 O ATOM 1826 CB ASN A 114 1.490 -1.389 -12.573 1.00 0.00 C ATOM 1827 CG ASN A 114 1.337 -0.699 -13.918 1.00 0.00 C ATOM 1828 OD1 ASN A 114 2.313 -0.226 -14.497 1.00 0.00 O ATOM 1829 ND2 ASN A 114 0.109 -0.637 -14.422 1.00 0.00 N ATOM 0 H ASN A 114 1.369 -4.388 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 114 1.957 -3.121 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.542 -1.344 -12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.222 -0.849 -11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.051 -0.184 -15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.674 -1.042 -13.909 1.00 0.00 H new ATOM 1836 N SER A 115 4.349 -2.871 -12.963 1.00 0.00 N ATOM 1837 CA SER A 115 5.735 -3.001 -12.515 1.00 0.00 C ATOM 1838 C SER A 115 6.080 -1.898 -11.517 1.00 0.00 C ATOM 1839 O SER A 115 6.203 -0.729 -11.885 1.00 0.00 O ATOM 1840 CB SER A 115 6.699 -2.956 -13.701 1.00 0.00 C ATOM 1841 OG SER A 115 7.071 -4.261 -14.105 1.00 0.00 O ATOM 0 H SER A 115 4.244 -2.659 -13.955 1.00 0.00 H new ATOM 0 HA SER A 115 5.840 -3.968 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.230 -2.433 -14.535 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.589 -2.389 -13.429 1.00 0.00 H new ATOM 0 HG SER A 115 7.686 -4.205 -14.866 1.00 0.00 H new ATOM 1847 N ILE A 116 6.215 -2.282 -10.248 1.00 0.00 N ATOM 1848 CA ILE A 116 6.525 -1.339 -9.177 1.00 0.00 C ATOM 1849 C ILE A 116 7.878 -0.649 -9.386 1.00 0.00 C ATOM 1850 O ILE A 116 7.972 0.575 -9.307 1.00 0.00 O ATOM 1851 CB ILE A 116 6.479 -2.040 -7.793 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.757 -1.153 -6.772 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.875 -2.410 -7.301 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.538 0.080 -6.366 1.00 0.00 C ATOM 0 H ILE A 116 6.113 -3.248 -9.936 1.00 0.00 H new ATOM 0 HA ILE A 116 5.759 -0.564 -9.203 1.00 0.00 H new ATOM 0 HB ILE A 116 5.920 -2.969 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.799 -0.843 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.541 -1.743 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.801 -2.898 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.344 -3.089 -8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.479 -1.507 -7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.960 0.655 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.485 -0.220 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.731 0.694 -7.245 1.00 0.00 H new ATOM 1866 N ASP A 117 8.920 -1.435 -9.646 1.00 0.00 N ATOM 1867 CA ASP A 117 10.259 -0.887 -9.854 1.00 0.00 C ATOM 1868 C ASP A 117 11.222 -1.953 -10.388 1.00 0.00 C ATOM 1869 O ASP A 117 12.424 -1.900 -10.119 1.00 0.00 O ATOM 1870 CB ASP A 117 10.800 -0.314 -8.539 1.00 0.00 C ATOM 1871 CG ASP A 117 11.269 1.119 -8.682 1.00 0.00 C ATOM 1872 OD1 ASP A 117 12.296 1.345 -9.356 1.00 0.00 O ATOM 1873 OD2 ASP A 117 10.610 2.015 -8.118 1.00 0.00 O ATOM 0 H ASP A 117 8.864 -2.451 -9.718 1.00 0.00 H new ATOM 0 HA ASP A 117 10.185 -0.093 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.022 -0.364 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.628 -0.931 -8.191 1.00 0.00 H new ATOM 1878 N SER A 118 10.696 -2.921 -11.142 1.00 0.00 N ATOM 1879 CA SER A 118 11.523 -3.985 -11.697 1.00 0.00 C ATOM 1880 C SER A 118 12.099 -3.574 -13.058 1.00 0.00 C ATOM 1881 O SER A 118 12.128 -2.388 -13.389 1.00 0.00 O ATOM 1882 CB SER A 118 10.713 -5.279 -11.821 1.00 0.00 C ATOM 1883 OG SER A 118 11.529 -6.414 -11.583 1.00 0.00 O ATOM 0 H SER A 118 9.706 -2.987 -11.379 1.00 0.00 H new ATOM 0 HA SER A 118 12.357 -4.162 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.887 -5.265 -11.110 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.275 -5.344 -12.817 1.00 0.00 H new ATOM 0 HG SER A 118 10.990 -7.228 -11.666 1.00 0.00 H new ATOM 1889 N ASN A 119 12.559 -4.554 -13.840 1.00 0.00 N ATOM 1890 CA ASN A 119 13.132 -4.281 -15.158 1.00 0.00 C ATOM 1891 C ASN A 119 12.317 -4.947 -16.259 1.00 0.00 C ATOM 1892 O ASN A 119 11.790 -4.275 -17.147 1.00 0.00 O ATOM 1893 CB ASN A 119 14.580 -4.761 -15.226 1.00 0.00 C ATOM 1894 CG ASN A 119 15.521 -3.682 -15.705 1.00 0.00 C ATOM 1895 OD1 ASN A 119 16.035 -3.736 -16.821 1.00 0.00 O ATOM 1896 ND2 ASN A 119 15.752 -2.693 -14.855 1.00 0.00 N ATOM 0 H ASN A 119 12.545 -5.541 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 119 13.107 -3.202 -15.312 1.00 0.00 H new ATOM 0 HB2 ASN A 119 14.894 -5.102 -14.239 1.00 0.00 H new ATOM 0 HB3 ASN A 119 14.645 -5.619 -15.895 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.380 -1.933 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.302 -2.692 -13.940 1.00 0.00 H new ATOM 1903 N ASN A 120 12.225 -6.271 -16.193 1.00 0.00 N ATOM 1904 CA ASN A 120 11.479 -7.042 -17.182 1.00 0.00 C ATOM 1905 C ASN A 120 9.975 -6.818 -17.027 1.00 0.00 C ATOM 1906 O ASN A 120 9.400 -7.308 -16.032 1.00 0.00 O ATOM 1907 CB ASN A 120 11.808 -8.529 -17.064 1.00 0.00 C ATOM 1908 CG ASN A 120 10.981 -9.390 -18.003 1.00 0.00 C ATOM 1909 OD1 ASN A 120 9.985 -9.989 -17.597 1.00 0.00 O ATOM 1910 ND2 ASN A 120 11.389 -9.459 -19.266 1.00 0.00 N ATOM 1911 OXT ASN A 120 9.386 -6.151 -17.902 1.00 0.00 O ATOM 0 H ASN A 120 12.659 -6.835 -15.462 1.00 0.00 H new ATOM 0 HA ASN A 120 11.777 -6.697 -18.172 1.00 0.00 H new ATOM 0 HB2 ASN A 120 12.866 -8.680 -17.277 1.00 0.00 H new ATOM 0 HB3 ASN A 120 11.639 -8.854 -16.037 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.871 -10.024 -19.939 1.00 0.00 H new ATOM 0 HD22 ASN A 120 12.220 -8.947 -19.562 1.00 0.00 H new TER 1918 ASN A 120