USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=33 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -159:sc= -0.183 (180deg=-0.75) USER MOD Set 2.1: A 37 TYR OH : rot 82:sc= 0.65 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.985 X(o=-0.34,f=-0.46) USER MOD Set 3.1: A 33 TYR OH : rot 30:sc= -0.349 USER MOD Set 3.2: A 82 LYS NZ :NH3+ -172:sc= 0.311 (180deg=0.282) USER MOD Set 4.1: A 8 THR OG1 : rot 108:sc= 0.218 USER MOD Set 4.2: A 78 THR OG1 : rot -166:sc= -0.219 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 11 TYR OH : rot 126:sc= 1.33 USER MOD Single : A 15 SER OG : rot -154:sc= 0.316 USER MOD Single : A 21 THR OG1 : rot 8:sc= 1.04 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.28! C(o=-2!,f=-1.3!) USER MOD Single : A 26 SER OG : rot 71:sc= 0.0898 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) USER MOD Single : A 30 GLN : amide:sc= -6.89! C(o=-6.9!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -1.94 (180deg=-2.44!) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.13 F(o=-2.1,f=-1.1) USER MOD Single : A 48 HIS : no HD1:sc= -9.74! C(o=-9.7!,f=-13!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -5.56! C(o=-7.7!,f=-5.6!) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.349 K(o=0.35,f=-1.5) USER MOD Single : A 84 MET CE :methyl 141:sc= -3.08 (180deg=-5.44!) USER MOD Single : A 85 SER OG : rot -76:sc= 1.56 USER MOD Single : A 90 ASN : amide:sc= -0.958 X(o=-0.96,f=-0.58) USER MOD Single : A 91 TYR OH : rot -142:sc= 0.745 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.812 F(o=-1.4!,f=-0.81) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= -6.13! (180deg=-6.35!) USER MOD Single : A 106 ASN : amide:sc= 0.0997 K(o=0.1,f=-4.3!) USER MOD Single : A 113 ASN : amide:sc= 0.0033 X(o=0.0033,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.69) 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=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.420 0.753 23.667 1.00 0.00 N ATOM 2 CA GLY A 1 13.611 0.164 24.766 1.00 0.00 C ATOM 3 C GLY A 1 13.689 -1.353 24.797 1.00 0.00 C ATOM 4 O GLY A 1 14.204 -1.933 25.753 1.00 0.00 O ATOM 0 H1 GLY A 1 14.333 1.789 23.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.418 0.486 23.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.076 0.396 22.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.956 0.562 25.720 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.571 0.469 24.651 1.00 0.00 H new ATOM 10 N SER A 2 13.175 -1.993 23.746 1.00 0.00 N ATOM 11 CA SER A 2 13.185 -3.452 23.643 1.00 0.00 C ATOM 12 C SER A 2 12.847 -3.905 22.220 1.00 0.00 C ATOM 13 O SER A 2 12.393 -3.107 21.398 1.00 0.00 O ATOM 14 CB SER A 2 12.193 -4.062 24.636 1.00 0.00 C ATOM 15 OG SER A 2 12.827 -5.028 25.455 1.00 0.00 O ATOM 0 H SER A 2 12.745 -1.521 22.951 1.00 0.00 H new ATOM 0 HA SER A 2 14.190 -3.800 23.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.765 -3.276 25.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.368 -4.524 24.094 1.00 0.00 H new ATOM 0 HG SER A 2 12.175 -5.403 26.083 1.00 0.00 H new ATOM 21 N ARG A 3 13.074 -5.190 21.935 1.00 0.00 N ATOM 22 CA ARG A 3 12.794 -5.746 20.609 1.00 0.00 C ATOM 23 C ARG A 3 11.292 -5.811 20.347 1.00 0.00 C ATOM 24 O ARG A 3 10.548 -6.442 21.101 1.00 0.00 O ATOM 25 CB ARG A 3 13.420 -7.133 20.464 1.00 0.00 C ATOM 26 CG ARG A 3 14.648 -7.148 19.570 1.00 0.00 C ATOM 27 CD ARG A 3 15.684 -6.137 20.035 1.00 0.00 C ATOM 28 NE ARG A 3 16.947 -6.260 19.305 1.00 0.00 N ATOM 29 CZ ARG A 3 17.807 -7.273 19.453 1.00 0.00 C ATOM 30 NH1 ARG A 3 17.549 -8.264 20.303 1.00 0.00 N ATOM 31 NH2 ARG A 3 18.932 -7.294 18.745 1.00 0.00 N ATOM 0 H ARG A 3 13.450 -5.863 22.603 1.00 0.00 H new ATOM 0 HA ARG A 3 13.240 -5.083 19.867 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.693 -7.506 21.451 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.676 -7.819 20.059 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.086 -8.146 19.568 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.356 -6.926 18.544 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.289 -5.129 19.906 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.868 -6.273 21.101 1.00 0.00 H new ATOM 0 HE ARG A 3 17.187 -5.525 18.640 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.688 -8.256 20.850 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.212 -9.032 20.408 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.137 -6.539 18.091 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.590 -8.065 18.856 1.00 0.00 H new ATOM 45 N THR A 4 10.854 -5.142 19.279 1.00 0.00 N ATOM 46 CA THR A 4 9.438 -5.105 18.921 1.00 0.00 C ATOM 47 C THR A 4 9.204 -5.522 17.467 1.00 0.00 C ATOM 48 O THR A 4 10.145 -5.653 16.682 1.00 0.00 O ATOM 49 CB THR A 4 8.874 -3.701 19.163 1.00 0.00 C ATOM 50 OG1 THR A 4 9.388 -2.774 18.219 1.00 0.00 O ATOM 51 CG2 THR A 4 9.185 -3.166 20.544 1.00 0.00 C ATOM 0 H THR A 4 11.461 -4.619 18.648 1.00 0.00 H new ATOM 0 HA THR A 4 8.918 -5.823 19.556 1.00 0.00 H new ATOM 0 HB THR A 4 7.794 -3.805 19.060 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.012 -1.886 18.394 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.759 -2.169 20.652 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.756 -3.828 21.296 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.265 -3.115 20.680 1.00 0.00 H new ATOM 59 N SER A 5 7.933 -5.729 17.125 1.00 0.00 N ATOM 60 CA SER A 5 7.537 -6.134 15.778 1.00 0.00 C ATOM 61 C SER A 5 6.955 -4.959 14.995 1.00 0.00 C ATOM 62 O SER A 5 5.906 -4.425 15.357 1.00 0.00 O ATOM 63 CB SER A 5 6.507 -7.267 15.853 1.00 0.00 C ATOM 64 OG SER A 5 5.643 -7.104 16.966 1.00 0.00 O ATOM 0 H SER A 5 7.152 -5.621 17.772 1.00 0.00 H new ATOM 0 HA SER A 5 8.428 -6.484 15.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.920 -7.290 14.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.022 -8.225 15.926 1.00 0.00 H new ATOM 0 HG SER A 5 4.996 -7.839 16.988 1.00 0.00 H new ATOM 70 N ARG A 6 7.631 -4.574 13.907 1.00 0.00 N ATOM 71 CA ARG A 6 7.157 -3.478 13.061 1.00 0.00 C ATOM 72 C ARG A 6 5.907 -3.937 12.300 1.00 0.00 C ATOM 73 O ARG A 6 5.183 -4.798 12.797 1.00 0.00 O ATOM 74 CB ARG A 6 8.278 -2.992 12.120 1.00 0.00 C ATOM 75 CG ARG A 6 8.467 -3.814 10.853 1.00 0.00 C ATOM 76 CD ARG A 6 9.152 -5.146 11.131 1.00 0.00 C ATOM 77 NE ARG A 6 8.196 -6.240 11.307 1.00 0.00 N ATOM 78 CZ ARG A 6 8.494 -7.531 11.123 1.00 0.00 C ATOM 79 NH1 ARG A 6 9.717 -7.897 10.746 1.00 0.00 N ATOM 80 NH2 ARG A 6 7.565 -8.459 11.313 1.00 0.00 N ATOM 0 H ARG A 6 8.502 -5.003 13.595 1.00 0.00 H new ATOM 0 HA ARG A 6 6.882 -2.622 13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.070 -1.960 11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.217 -2.987 12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.497 -3.995 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.060 -3.245 10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.825 -5.384 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.765 -5.056 12.027 1.00 0.00 H new ATOM 0 HE ARG A 6 7.244 -6.004 11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.437 -7.190 10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.934 -8.884 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.624 -8.188 11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.792 -9.444 11.173 1.00 0.00 H new ATOM 94 N ILE A 7 5.623 -3.378 11.122 1.00 0.00 N ATOM 95 CA ILE A 7 4.428 -3.793 10.389 1.00 0.00 C ATOM 96 C ILE A 7 4.598 -3.801 8.869 1.00 0.00 C ATOM 97 O ILE A 7 5.584 -3.310 8.329 1.00 0.00 O ATOM 98 CB ILE A 7 3.211 -2.907 10.739 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.196 -1.608 9.917 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.170 -2.595 12.228 1.00 0.00 C ATOM 101 CD1 ILE A 7 1.957 -1.448 9.054 1.00 0.00 C ATOM 0 H ILE A 7 6.185 -2.659 10.667 1.00 0.00 H new ATOM 0 HA ILE A 7 4.258 -4.821 10.710 1.00 0.00 H new ATOM 0 HB ILE A 7 2.317 -3.475 10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.268 -0.758 10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.079 -1.582 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.304 -1.970 12.445 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.098 -3.525 12.793 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.079 -2.066 12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.016 -0.509 8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.894 -2.278 8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.070 -1.441 9.688 1.00 0.00 H new ATOM 113 N THR A 8 3.580 -4.344 8.200 1.00 0.00 N ATOM 114 CA THR A 8 3.522 -4.411 6.742 1.00 0.00 C ATOM 115 C THR A 8 2.337 -3.565 6.281 1.00 0.00 C ATOM 116 O THR A 8 1.338 -3.472 6.997 1.00 0.00 O ATOM 117 CB THR A 8 3.366 -5.866 6.284 1.00 0.00 C ATOM 118 OG1 THR A 8 4.618 -6.528 6.295 1.00 0.00 O ATOM 119 CG2 THR A 8 2.785 -6.014 4.893 1.00 0.00 C ATOM 0 H THR A 8 2.767 -4.753 8.660 1.00 0.00 H new ATOM 0 HA THR A 8 4.444 -4.027 6.305 1.00 0.00 H new ATOM 0 HB THR A 8 2.668 -6.311 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.645 -7.165 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.706 -7.072 4.642 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.795 -5.559 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.435 -5.518 4.172 1.00 0.00 H new ATOM 127 N ALA A 9 2.437 -2.919 5.118 1.00 0.00 N ATOM 128 CA ALA A 9 1.344 -2.070 4.666 1.00 0.00 C ATOM 129 C ALA A 9 0.547 -2.667 3.523 1.00 0.00 C ATOM 130 O ALA A 9 1.093 -3.036 2.489 1.00 0.00 O ATOM 131 CB ALA A 9 1.853 -0.694 4.271 1.00 0.00 C ATOM 0 H ALA A 9 3.240 -2.966 4.491 1.00 0.00 H new ATOM 0 HA ALA A 9 0.667 -1.984 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.017 -0.079 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.330 -0.222 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.577 -0.792 3.462 1.00 0.00 H new ATOM 137 N LEU A 10 -0.762 -2.714 3.722 1.00 0.00 N ATOM 138 CA LEU A 10 -1.689 -3.208 2.721 1.00 0.00 C ATOM 139 C LEU A 10 -2.729 -2.126 2.454 1.00 0.00 C ATOM 140 O LEU A 10 -3.644 -1.934 3.250 1.00 0.00 O ATOM 141 CB LEU A 10 -2.362 -4.478 3.237 1.00 0.00 C ATOM 142 CG LEU A 10 -2.919 -5.411 2.173 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.588 -6.853 2.525 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.419 -5.219 2.047 1.00 0.00 C ATOM 0 H LEU A 10 -1.210 -2.409 4.586 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.164 -3.445 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.639 -5.032 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.175 -4.191 3.903 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.461 -5.175 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.990 -7.516 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.506 -6.975 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.030 -7.103 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.809 -5.891 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.896 -5.440 3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.631 -4.188 1.766 1.00 0.00 H new ATOM 156 N TYR A 11 -2.577 -1.406 1.344 1.00 0.00 N ATOM 157 CA TYR A 11 -3.508 -0.327 1.010 1.00 0.00 C ATOM 158 C TYR A 11 -4.238 -0.626 -0.304 1.00 0.00 C ATOM 159 O TYR A 11 -3.600 -0.877 -1.329 1.00 0.00 O ATOM 160 CB TYR A 11 -2.749 1.013 0.983 1.00 0.00 C ATOM 161 CG TYR A 11 -3.528 2.186 0.428 1.00 0.00 C ATOM 162 CD1 TYR A 11 -3.653 2.383 -0.942 1.00 0.00 C ATOM 163 CD2 TYR A 11 -4.121 3.109 1.280 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.349 3.465 -1.444 1.00 0.00 C ATOM 165 CE2 TYR A 11 -4.816 4.194 0.786 1.00 0.00 C ATOM 166 CZ TYR A 11 -4.927 4.368 -0.576 1.00 0.00 C ATOM 167 OH TYR A 11 -5.615 5.450 -1.073 1.00 0.00 O ATOM 0 H TYR A 11 -1.827 -1.547 0.667 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.280 -0.253 1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.435 1.254 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.843 0.887 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.199 1.679 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.037 2.975 2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.440 3.604 -2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.270 4.902 1.463 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.518 5.467 -0.692 1.00 0.00 H new ATOM 177 N GLU A 12 -5.586 -0.645 -0.260 1.00 0.00 N ATOM 178 CA GLU A 12 -6.381 -0.974 -1.457 1.00 0.00 C ATOM 179 C GLU A 12 -7.748 -0.279 -1.501 1.00 0.00 C ATOM 180 O GLU A 12 -8.396 -0.089 -0.472 1.00 0.00 O ATOM 181 CB GLU A 12 -6.604 -2.483 -1.515 1.00 0.00 C ATOM 182 CG GLU A 12 -6.468 -3.073 -2.911 1.00 0.00 C ATOM 183 CD GLU A 12 -7.534 -2.570 -3.867 1.00 0.00 C ATOM 184 OE1 GLU A 12 -8.726 -2.827 -3.616 1.00 0.00 O ATOM 185 OE2 GLU A 12 -7.177 -1.912 -4.864 1.00 0.00 O ATOM 0 H GLU A 12 -6.136 -0.441 0.574 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.809 -0.615 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.889 -2.972 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.599 -2.708 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.484 -2.828 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.525 -4.160 -2.849 1.00 0.00 H new ATOM 192 N ARG A 13 -8.184 0.064 -2.724 1.00 0.00 N ATOM 193 CA ARG A 13 -9.477 0.716 -2.952 1.00 0.00 C ATOM 194 C ARG A 13 -10.351 -0.090 -3.927 1.00 0.00 C ATOM 195 O ARG A 13 -9.863 -0.580 -4.947 1.00 0.00 O ATOM 196 CB ARG A 13 -9.253 2.141 -3.487 1.00 0.00 C ATOM 197 CG ARG A 13 -9.723 2.379 -4.913 1.00 0.00 C ATOM 198 CD ARG A 13 -9.599 3.848 -5.298 1.00 0.00 C ATOM 199 NE ARG A 13 -8.515 4.524 -4.582 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.217 4.300 -4.803 1.00 0.00 C ATOM 201 NH1 ARG A 13 -6.832 3.369 -5.672 1.00 0.00 N ATOM 202 NH2 ARG A 13 -6.305 4.980 -4.118 1.00 0.00 N ATOM 0 H ARG A 13 -7.650 -0.103 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.006 0.765 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.767 2.843 -2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.189 2.370 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.134 1.770 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.760 2.060 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.426 3.926 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.541 4.356 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.767 5.209 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.530 2.821 -6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.839 3.204 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.597 5.670 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.313 4.812 -4.284 1.00 0.00 H new ATOM 216 N LEU A 14 -11.651 -0.193 -3.623 1.00 0.00 N ATOM 217 CA LEU A 14 -12.597 -0.899 -4.484 1.00 0.00 C ATOM 218 C LEU A 14 -13.491 0.137 -5.189 1.00 0.00 C ATOM 219 O LEU A 14 -13.865 1.154 -4.602 1.00 0.00 O ATOM 220 CB LEU A 14 -13.385 -1.966 -3.672 1.00 0.00 C ATOM 221 CG LEU A 14 -14.917 -1.847 -3.612 1.00 0.00 C ATOM 222 CD1 LEU A 14 -15.342 -0.505 -3.043 1.00 0.00 C ATOM 223 CD2 LEU A 14 -15.530 -2.087 -4.981 1.00 0.00 C ATOM 0 H LEU A 14 -12.069 0.207 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.074 -1.458 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.143 -2.945 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.009 -1.950 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.289 -2.619 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.430 -0.451 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.945 -0.396 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.956 0.296 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.614 -1.998 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.148 -1.348 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.269 -3.087 -5.326 1.00 0.00 H new ATOM 235 N SER A 15 -13.760 -0.100 -6.471 1.00 0.00 N ATOM 236 CA SER A 15 -14.539 0.835 -7.305 1.00 0.00 C ATOM 237 C SER A 15 -16.021 0.918 -6.931 1.00 0.00 C ATOM 238 O SER A 15 -16.634 -0.060 -6.510 1.00 0.00 O ATOM 239 CB SER A 15 -14.407 0.467 -8.781 1.00 0.00 C ATOM 240 OG SER A 15 -15.123 1.380 -9.594 1.00 0.00 O ATOM 0 H SER A 15 -13.450 -0.937 -6.965 1.00 0.00 H new ATOM 0 HA SER A 15 -14.114 1.821 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.355 0.466 -9.067 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.783 -0.543 -8.943 1.00 0.00 H new ATOM 0 HG SER A 15 -15.375 0.942 -10.434 1.00 0.00 H new ATOM 246 N ARG A 16 -16.583 2.118 -7.110 1.00 0.00 N ATOM 247 CA ARG A 16 -17.991 2.386 -6.812 1.00 0.00 C ATOM 248 C ARG A 16 -18.941 1.931 -7.929 1.00 0.00 C ATOM 249 O ARG A 16 -20.145 1.815 -7.695 1.00 0.00 O ATOM 250 CB ARG A 16 -18.196 3.879 -6.543 1.00 0.00 C ATOM 251 CG ARG A 16 -18.698 4.188 -5.142 1.00 0.00 C ATOM 252 CD ARG A 16 -20.213 4.313 -5.102 1.00 0.00 C ATOM 253 NE ARG A 16 -20.659 5.301 -4.118 1.00 0.00 N ATOM 254 CZ ARG A 16 -21.889 5.821 -4.083 1.00 0.00 C ATOM 255 NH1 ARG A 16 -22.807 5.448 -4.970 1.00 0.00 N ATOM 256 NH2 ARG A 16 -22.204 6.717 -3.154 1.00 0.00 N ATOM 0 H ARG A 16 -16.075 2.928 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.237 1.803 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.252 4.400 -6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -18.906 4.275 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.380 3.400 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -18.247 5.116 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.579 4.595 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -20.650 3.343 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.988 5.612 -3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.575 4.759 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.743 5.851 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.507 7.007 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -23.143 7.115 -3.127 1.00 0.00 H new ATOM 270 N ASP A 17 -18.422 1.686 -9.141 1.00 0.00 N ATOM 271 CA ASP A 17 -19.287 1.261 -10.253 1.00 0.00 C ATOM 272 C ASP A 17 -19.424 -0.262 -10.308 1.00 0.00 C ATOM 273 O ASP A 17 -20.415 -0.777 -10.827 1.00 0.00 O ATOM 274 CB ASP A 17 -18.779 1.789 -11.611 1.00 0.00 C ATOM 275 CG ASP A 17 -17.351 2.307 -11.582 1.00 0.00 C ATOM 276 OD1 ASP A 17 -17.130 3.415 -11.051 1.00 0.00 O ATOM 277 OD2 ASP A 17 -16.455 1.608 -12.099 1.00 0.00 O ATOM 0 H ASP A 17 -17.433 1.772 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.269 1.693 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.849 0.989 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.438 2.590 -11.946 1.00 0.00 H new ATOM 282 N ASP A 18 -18.442 -0.972 -9.742 1.00 0.00 N ATOM 283 CA ASP A 18 -18.441 -2.428 -9.689 1.00 0.00 C ATOM 284 C ASP A 18 -19.089 -3.095 -10.909 1.00 0.00 C ATOM 285 O ASP A 18 -19.977 -3.939 -10.770 1.00 0.00 O ATOM 286 CB ASP A 18 -19.102 -2.905 -8.397 1.00 0.00 C ATOM 287 CG ASP A 18 -18.209 -2.702 -7.190 1.00 0.00 C ATOM 288 OD1 ASP A 18 -16.993 -2.959 -7.305 1.00 0.00 O ATOM 289 OD2 ASP A 18 -18.723 -2.285 -6.131 1.00 0.00 O ATOM 0 H ASP A 18 -17.624 -0.545 -9.307 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.396 -2.736 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -20.038 -2.366 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.353 -3.962 -8.488 1.00 0.00 H new ATOM 294 N ASP A 19 -18.596 -2.755 -12.101 1.00 0.00 N ATOM 295 CA ASP A 19 -19.080 -3.362 -13.341 1.00 0.00 C ATOM 296 C ASP A 19 -18.332 -4.681 -13.605 1.00 0.00 C ATOM 297 O ASP A 19 -18.327 -5.197 -14.724 1.00 0.00 O ATOM 298 CB ASP A 19 -18.898 -2.404 -14.522 1.00 0.00 C ATOM 299 CG ASP A 19 -19.622 -2.870 -15.775 1.00 0.00 C ATOM 300 OD1 ASP A 19 -20.734 -3.426 -15.653 1.00 0.00 O ATOM 301 OD2 ASP A 19 -19.073 -2.679 -16.880 1.00 0.00 O ATOM 0 H ASP A 19 -17.860 -2.061 -12.233 1.00 0.00 H new ATOM 0 HA ASP A 19 -20.144 -3.571 -13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.264 -1.416 -14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.835 -2.300 -14.739 1.00 0.00 H new ATOM 306 N LEU A 20 -17.681 -5.198 -12.556 1.00 0.00 N ATOM 307 CA LEU A 20 -16.898 -6.426 -12.623 1.00 0.00 C ATOM 308 C LEU A 20 -17.664 -7.608 -12.012 1.00 0.00 C ATOM 309 O LEU A 20 -17.612 -8.714 -12.545 1.00 0.00 O ATOM 310 CB LEU A 20 -15.533 -6.245 -11.909 1.00 0.00 C ATOM 311 CG LEU A 20 -15.381 -5.030 -10.958 1.00 0.00 C ATOM 312 CD1 LEU A 20 -15.555 -3.711 -11.700 1.00 0.00 C ATOM 313 CD2 LEU A 20 -16.340 -5.138 -9.778 1.00 0.00 C ATOM 0 H LEU A 20 -17.686 -4.768 -11.631 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.717 -6.646 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.331 -7.149 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.760 -6.173 -12.674 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.365 -5.044 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.442 -2.883 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.800 -3.631 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.548 -3.674 -12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.213 -4.274 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.366 -5.169 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.127 -6.049 -9.218 1.00 0.00 H new ATOM 325 N THR A 21 -18.373 -7.350 -10.900 1.00 0.00 N ATOM 326 CA THR A 21 -19.172 -8.363 -10.185 1.00 0.00 C ATOM 327 C THR A 21 -18.360 -9.608 -9.811 1.00 0.00 C ATOM 328 O THR A 21 -17.902 -10.357 -10.674 1.00 0.00 O ATOM 329 CB THR A 21 -20.417 -8.757 -10.988 1.00 0.00 C ATOM 330 OG1 THR A 21 -20.071 -9.367 -12.217 1.00 0.00 O ATOM 331 CG2 THR A 21 -21.320 -7.582 -11.290 1.00 0.00 C ATOM 0 H THR A 21 -18.409 -6.427 -10.468 1.00 0.00 H new ATOM 0 HA THR A 21 -19.488 -7.896 -9.252 1.00 0.00 H new ATOM 0 HB THR A 21 -20.954 -9.461 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 21 -19.104 -9.522 -12.244 1.00 0.00 H new ATOM 0 HG21 THR A 21 -22.184 -7.924 -11.860 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.657 -7.132 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.771 -6.841 -11.872 1.00 0.00 H new ATOM 339 N GLY A 22 -18.202 -9.822 -8.504 1.00 0.00 N ATOM 340 CA GLY A 22 -17.458 -10.969 -8.012 1.00 0.00 C ATOM 341 C GLY A 22 -16.665 -10.657 -6.752 1.00 0.00 C ATOM 342 O GLY A 22 -17.241 -10.353 -5.708 1.00 0.00 O ATOM 0 H GLY A 22 -18.579 -9.216 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.150 -11.786 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.777 -11.315 -8.789 1.00 0.00 H new ATOM 346 N GLU A 23 -15.340 -10.742 -6.857 1.00 0.00 N ATOM 347 CA GLU A 23 -14.435 -10.478 -5.732 1.00 0.00 C ATOM 348 C GLU A 23 -14.014 -9.001 -5.664 1.00 0.00 C ATOM 349 O GLU A 23 -13.516 -8.543 -4.639 1.00 0.00 O ATOM 350 CB GLU A 23 -13.196 -11.377 -5.855 1.00 0.00 C ATOM 351 CG GLU A 23 -12.088 -11.073 -4.858 1.00 0.00 C ATOM 352 CD GLU A 23 -11.009 -12.138 -4.851 1.00 0.00 C ATOM 353 OE1 GLU A 23 -10.054 -12.019 -5.647 1.00 0.00 O ATOM 354 OE2 GLU A 23 -11.120 -13.093 -4.054 1.00 0.00 O ATOM 0 H GLU A 23 -14.861 -10.995 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.969 -10.703 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.504 -12.415 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.794 -11.283 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.641 -10.108 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.515 -10.986 -3.859 1.00 0.00 H new ATOM 361 N SER A 24 -14.185 -8.268 -6.762 1.00 0.00 N ATOM 362 CA SER A 24 -13.789 -6.857 -6.818 1.00 0.00 C ATOM 363 C SER A 24 -14.903 -5.887 -6.388 1.00 0.00 C ATOM 364 O SER A 24 -14.740 -4.675 -6.529 1.00 0.00 O ATOM 365 CB SER A 24 -13.310 -6.496 -8.232 1.00 0.00 C ATOM 366 OG SER A 24 -13.624 -7.515 -9.167 1.00 0.00 O ATOM 0 H SER A 24 -14.594 -8.624 -7.626 1.00 0.00 H new ATOM 0 HA SER A 24 -12.977 -6.742 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.772 -5.560 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.233 -6.332 -8.221 1.00 0.00 H new ATOM 0 HG SER A 24 -13.307 -7.252 -10.056 1.00 0.00 H new ATOM 372 N ASN A 25 -16.036 -6.397 -5.889 1.00 0.00 N ATOM 373 CA ASN A 25 -17.137 -5.521 -5.491 1.00 0.00 C ATOM 374 C ASN A 25 -17.462 -5.595 -3.988 1.00 0.00 C ATOM 375 O ASN A 25 -18.315 -6.367 -3.550 1.00 0.00 O ATOM 376 CB ASN A 25 -18.379 -5.796 -6.366 1.00 0.00 C ATOM 377 CG ASN A 25 -19.305 -6.874 -5.828 1.00 0.00 C ATOM 378 OD1 ASN A 25 -18.815 -8.105 -5.751 1.00 0.00 O flip ATOM 379 ND2 ASN A 25 -20.455 -6.600 -5.486 1.00 0.00 N flip ATOM 0 H ASN A 25 -16.210 -7.393 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.811 -4.495 -5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.944 -4.870 -6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -18.048 -6.084 -7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.794 -5.641 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.069 -7.332 -5.128 1.00 0.00 H new ATOM 386 N SER A 26 -16.783 -4.746 -3.209 1.00 0.00 N ATOM 387 CA SER A 26 -17.003 -4.657 -1.760 1.00 0.00 C ATOM 388 C SER A 26 -15.949 -3.794 -1.073 1.00 0.00 C ATOM 389 O SER A 26 -16.169 -2.602 -0.884 1.00 0.00 O ATOM 390 CB SER A 26 -17.076 -6.046 -1.113 1.00 0.00 C ATOM 391 OG SER A 26 -18.387 -6.323 -0.650 1.00 0.00 O ATOM 0 H SER A 26 -16.071 -4.106 -3.561 1.00 0.00 H new ATOM 0 HA SER A 26 -17.968 -4.170 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.774 -6.804 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.374 -6.101 -0.281 1.00 0.00 H new ATOM 0 HG SER A 26 -18.981 -6.467 -1.416 1.00 0.00 H new ATOM 397 N ILE A 27 -14.822 -4.408 -0.708 1.00 0.00 N ATOM 398 CA ILE A 27 -13.701 -3.727 -0.039 1.00 0.00 C ATOM 399 C ILE A 27 -12.812 -4.763 0.663 1.00 0.00 C ATOM 400 O ILE A 27 -11.608 -4.847 0.401 1.00 0.00 O ATOM 401 CB ILE A 27 -14.164 -2.633 0.971 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.193 -1.249 0.291 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.269 -2.595 2.207 1.00 0.00 C ATOM 404 CD1 ILE A 27 -12.829 -0.619 0.075 1.00 0.00 C ATOM 0 H ILE A 27 -14.656 -5.402 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.132 -3.210 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.172 -2.890 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.691 -1.344 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.798 -0.574 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.622 -1.821 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.301 -3.562 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.244 -2.375 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.949 0.351 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.333 -0.487 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.225 -1.268 -0.559 1.00 0.00 H new ATOM 416 N THR A 28 -13.424 -5.567 1.538 1.00 0.00 N ATOM 417 CA THR A 28 -12.704 -6.615 2.265 1.00 0.00 C ATOM 418 C THR A 28 -12.197 -7.705 1.309 1.00 0.00 C ATOM 419 O THR A 28 -11.238 -8.412 1.624 1.00 0.00 O ATOM 420 CB THR A 28 -13.607 -7.221 3.352 1.00 0.00 C ATOM 421 OG1 THR A 28 -12.975 -7.166 4.619 1.00 0.00 O ATOM 422 CG2 THR A 28 -13.994 -8.662 3.101 1.00 0.00 C ATOM 0 H THR A 28 -14.418 -5.511 1.760 1.00 0.00 H new ATOM 0 HA THR A 28 -11.834 -6.164 2.743 1.00 0.00 H new ATOM 0 HB THR A 28 -14.513 -6.616 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.567 -7.555 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.631 -9.014 3.913 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.535 -8.734 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.095 -9.277 3.052 1.00 0.00 H new ATOM 430 N ASN A 29 -12.843 -7.838 0.143 1.00 0.00 N ATOM 431 CA ASN A 29 -12.445 -8.841 -0.841 1.00 0.00 C ATOM 432 C ASN A 29 -11.048 -8.541 -1.384 1.00 0.00 C ATOM 433 O ASN A 29 -10.145 -9.373 -1.262 1.00 0.00 O ATOM 434 CB ASN A 29 -13.458 -8.914 -1.983 1.00 0.00 C ATOM 435 CG ASN A 29 -14.862 -9.210 -1.497 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.488 -8.380 -0.842 1.00 0.00 O ATOM 437 ND2 ASN A 29 -15.365 -10.397 -1.818 1.00 0.00 N ATOM 0 H ASN A 29 -13.639 -7.265 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.420 -9.811 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.457 -7.969 -2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.151 -9.687 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.307 -10.650 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.809 -11.056 -2.364 1.00 0.00 H new ATOM 444 N GLN A 30 -10.851 -7.343 -1.956 1.00 0.00 N ATOM 445 CA GLN A 30 -9.525 -6.975 -2.465 1.00 0.00 C ATOM 446 C GLN A 30 -8.538 -6.926 -1.303 1.00 0.00 C ATOM 447 O GLN A 30 -7.357 -7.229 -1.472 1.00 0.00 O ATOM 448 CB GLN A 30 -9.507 -5.638 -3.221 1.00 0.00 C ATOM 449 CG GLN A 30 -10.860 -5.153 -3.711 1.00 0.00 C ATOM 450 CD GLN A 30 -11.623 -4.426 -2.630 1.00 0.00 C ATOM 451 OE1 GLN A 30 -12.785 -4.730 -2.381 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.970 -3.455 -1.991 1.00 0.00 N ATOM 0 H GLN A 30 -11.572 -6.632 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.238 -7.739 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.080 -4.876 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.841 -5.733 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.721 -4.490 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.446 -6.003 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.003 -3.243 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.437 -2.925 -1.256 1.00 0.00 H new ATOM 461 N LYS A 31 -9.037 -6.586 -0.105 1.00 0.00 N ATOM 462 CA LYS A 31 -8.192 -6.566 1.081 1.00 0.00 C ATOM 463 C LYS A 31 -7.524 -7.935 1.218 1.00 0.00 C ATOM 464 O LYS A 31 -6.306 -8.036 1.385 1.00 0.00 O ATOM 465 CB LYS A 31 -9.022 -6.240 2.326 1.00 0.00 C ATOM 466 CG LYS A 31 -9.517 -4.804 2.375 1.00 0.00 C ATOM 467 CD LYS A 31 -8.871 -4.051 3.521 1.00 0.00 C ATOM 468 CE LYS A 31 -9.813 -3.034 4.136 1.00 0.00 C ATOM 469 NZ LYS A 31 -9.216 -2.386 5.335 1.00 0.00 N ATOM 0 H LYS A 31 -10.009 -6.326 0.060 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.430 -5.793 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.880 -6.912 2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.421 -6.438 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.292 -4.305 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.601 -4.792 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.553 -4.759 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.975 -3.545 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.060 -2.273 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.746 -3.524 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.943 -1.827 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.849 -3.116 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.438 -1.761 5.041 1.00 0.00 H new ATOM 483 N LYS A 32 -8.339 -8.989 1.088 1.00 0.00 N ATOM 484 CA LYS A 32 -7.853 -10.365 1.145 1.00 0.00 C ATOM 485 C LYS A 32 -6.882 -10.636 -0.004 1.00 0.00 C ATOM 486 O LYS A 32 -5.929 -11.396 0.151 1.00 0.00 O ATOM 487 CB LYS A 32 -9.021 -11.345 1.084 1.00 0.00 C ATOM 488 CG LYS A 32 -9.262 -12.076 2.395 1.00 0.00 C ATOM 489 CD LYS A 32 -10.688 -11.893 2.899 1.00 0.00 C ATOM 490 CE LYS A 32 -11.713 -12.047 1.784 1.00 0.00 C ATOM 491 NZ LYS A 32 -11.665 -13.395 1.149 1.00 0.00 N ATOM 0 H LYS A 32 -9.345 -8.909 0.942 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.327 -10.504 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.926 -10.804 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.832 -12.076 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.059 -13.138 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.562 -11.711 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.892 -12.623 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.789 -10.906 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.711 -11.873 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.537 -11.285 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.414 -13.468 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.739 -13.533 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.809 -14.126 1.875 1.00 0.00 H new ATOM 505 N TYR A 33 -7.127 -9.995 -1.154 1.00 0.00 N ATOM 506 CA TYR A 33 -6.264 -10.145 -2.328 1.00 0.00 C ATOM 507 C TYR A 33 -4.813 -9.863 -1.948 1.00 0.00 C ATOM 508 O TYR A 33 -3.959 -10.759 -1.983 1.00 0.00 O ATOM 509 CB TYR A 33 -6.702 -9.177 -3.434 1.00 0.00 C ATOM 510 CG TYR A 33 -5.978 -9.380 -4.742 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.432 -10.294 -5.681 1.00 0.00 C ATOM 512 CD2 TYR A 33 -4.830 -8.656 -5.030 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.759 -10.480 -6.873 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.154 -8.831 -6.214 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.619 -9.745 -7.136 1.00 0.00 C ATOM 516 OH TYR A 33 -3.944 -9.928 -8.321 1.00 0.00 O ATOM 0 H TYR A 33 -7.918 -9.367 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.349 -11.168 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.773 -9.291 -3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.539 -8.154 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.324 -10.868 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.460 -7.941 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.122 -11.196 -7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.264 -8.256 -6.421 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.577 -10.196 -9.020 1.00 0.00 H new ATOM 526 N LEU A 34 -4.549 -8.615 -1.555 1.00 0.00 N ATOM 527 CA LEU A 34 -3.216 -8.215 -1.135 1.00 0.00 C ATOM 528 C LEU A 34 -2.724 -9.154 -0.038 1.00 0.00 C ATOM 529 O LEU A 34 -1.544 -9.497 0.014 1.00 0.00 O ATOM 530 CB LEU A 34 -3.235 -6.782 -0.607 1.00 0.00 C ATOM 531 CG LEU A 34 -3.262 -5.660 -1.654 1.00 0.00 C ATOM 532 CD1 LEU A 34 -3.622 -6.184 -3.033 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.241 -4.587 -1.222 1.00 0.00 C ATOM 0 H LEU A 34 -5.244 -7.869 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.545 -8.268 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.108 -6.668 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.356 -6.640 0.021 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.261 -5.234 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.630 -5.359 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.885 -6.925 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.609 -6.645 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.260 -3.791 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.237 -5.020 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.931 -4.178 -0.260 1.00 0.00 H new ATOM 545 N GLU A 35 -3.655 -9.580 0.828 1.00 0.00 N ATOM 546 CA GLU A 35 -3.337 -10.501 1.913 1.00 0.00 C ATOM 547 C GLU A 35 -2.732 -11.780 1.345 1.00 0.00 C ATOM 548 O GLU A 35 -1.627 -12.173 1.718 1.00 0.00 O ATOM 549 CB GLU A 35 -4.596 -10.835 2.717 1.00 0.00 C ATOM 550 CG GLU A 35 -4.588 -10.269 4.123 1.00 0.00 C ATOM 551 CD GLU A 35 -5.843 -10.620 4.899 1.00 0.00 C ATOM 552 OE1 GLU A 35 -6.918 -10.086 4.561 1.00 0.00 O ATOM 553 OE2 GLU A 35 -5.750 -11.427 5.847 1.00 0.00 O ATOM 0 H GLU A 35 -4.634 -9.297 0.792 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.615 -10.024 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.468 -10.453 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.705 -11.918 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.717 -10.647 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.487 -9.185 4.074 1.00 0.00 H new ATOM 560 N ASP A 36 -3.466 -12.400 0.413 1.00 0.00 N ATOM 561 CA ASP A 36 -3.028 -13.623 -0.257 1.00 0.00 C ATOM 562 C ASP A 36 -1.619 -13.449 -0.828 1.00 0.00 C ATOM 563 O ASP A 36 -0.839 -14.403 -0.893 1.00 0.00 O ATOM 564 CB ASP A 36 -4.019 -13.982 -1.366 1.00 0.00 C ATOM 565 CG ASP A 36 -4.272 -15.474 -1.458 1.00 0.00 C ATOM 566 OD1 ASP A 36 -5.110 -15.982 -0.684 1.00 0.00 O ATOM 567 OD2 ASP A 36 -3.634 -16.136 -2.301 1.00 0.00 O ATOM 0 H ASP A 36 -4.379 -12.066 0.105 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.998 -14.435 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.963 -13.467 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.637 -13.622 -2.321 1.00 0.00 H new ATOM 572 N TYR A 37 -1.295 -12.213 -1.214 1.00 0.00 N ATOM 573 CA TYR A 37 0.021 -11.894 -1.751 1.00 0.00 C ATOM 574 C TYR A 37 1.038 -11.811 -0.621 1.00 0.00 C ATOM 575 O TYR A 37 2.010 -12.558 -0.594 1.00 0.00 O ATOM 576 CB TYR A 37 -0.014 -10.565 -2.507 1.00 0.00 C ATOM 577 CG TYR A 37 1.360 -9.998 -2.791 1.00 0.00 C ATOM 578 CD1 TYR A 37 2.012 -9.217 -1.849 1.00 0.00 C ATOM 579 CD2 TYR A 37 2.008 -10.259 -3.987 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.271 -8.710 -2.091 1.00 0.00 C ATOM 581 CE2 TYR A 37 3.267 -9.753 -4.241 1.00 0.00 C ATOM 582 CZ TYR A 37 3.895 -8.980 -3.288 1.00 0.00 C ATOM 583 OH TYR A 37 5.151 -8.476 -3.533 1.00 0.00 O ATOM 0 H TYR A 37 -1.931 -11.417 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 37 0.311 -12.685 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.543 -10.706 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.585 -9.840 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.525 -9.002 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.520 -10.869 -4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.765 -8.104 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.757 -9.961 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 37 5.823 -9.055 -3.116 1.00 0.00 H new ATOM 593 N ALA A 38 0.796 -10.881 0.304 1.00 0.00 N ATOM 594 CA ALA A 38 1.673 -10.671 1.453 1.00 0.00 C ATOM 595 C ALA A 38 2.073 -11.994 2.104 1.00 0.00 C ATOM 596 O ALA A 38 3.208 -12.144 2.552 1.00 0.00 O ATOM 597 CB ALA A 38 1.002 -9.757 2.466 1.00 0.00 C ATOM 0 H ALA A 38 -0.010 -10.256 0.277 1.00 0.00 H new ATOM 0 HA ALA A 38 2.585 -10.193 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.666 -9.608 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.787 -8.795 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.072 -10.212 2.806 1.00 0.00 H new ATOM 603 N ARG A 39 1.150 -12.962 2.134 1.00 0.00 N ATOM 604 CA ARG A 39 1.454 -14.276 2.713 1.00 0.00 C ATOM 605 C ARG A 39 2.307 -15.087 1.746 1.00 0.00 C ATOM 606 O ARG A 39 3.321 -15.661 2.142 1.00 0.00 O ATOM 607 CB ARG A 39 0.187 -15.050 3.086 1.00 0.00 C ATOM 608 CG ARG A 39 -0.884 -15.055 2.016 1.00 0.00 C ATOM 609 CD ARG A 39 -2.260 -14.827 2.628 1.00 0.00 C ATOM 610 NE ARG A 39 -3.056 -16.053 2.665 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.385 -16.090 2.527 1.00 0.00 C ATOM 612 NH1 ARG A 39 -5.081 -14.971 2.346 1.00 0.00 N ATOM 613 NH2 ARG A 39 -5.021 -17.255 2.573 1.00 0.00 N ATOM 0 H ARG A 39 0.202 -12.864 1.771 1.00 0.00 H new ATOM 0 HA ARG A 39 2.011 -14.109 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.460 -16.080 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.230 -14.622 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.674 -14.278 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.870 -16.007 1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.146 -14.439 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.791 -14.068 2.053 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.566 -16.936 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.601 -14.072 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.095 -15.012 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.495 -18.118 2.713 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.035 -17.287 2.468 1.00 0.00 H new ATOM 627 N ARG A 40 1.914 -15.097 0.466 1.00 0.00 N ATOM 628 CA ARG A 40 2.679 -15.804 -0.562 1.00 0.00 C ATOM 629 C ARG A 40 4.079 -15.187 -0.705 1.00 0.00 C ATOM 630 O ARG A 40 4.982 -15.798 -1.278 1.00 0.00 O ATOM 631 CB ARG A 40 1.931 -15.767 -1.905 1.00 0.00 C ATOM 632 CG ARG A 40 2.386 -14.668 -2.858 1.00 0.00 C ATOM 633 CD ARG A 40 1.381 -14.451 -3.980 1.00 0.00 C ATOM 634 NE ARG A 40 1.806 -13.404 -4.911 1.00 0.00 N ATOM 635 CZ ARG A 40 1.046 -12.935 -5.907 1.00 0.00 C ATOM 636 NH1 ARG A 40 -0.177 -13.415 -6.109 1.00 0.00 N ATOM 637 NH2 ARG A 40 1.512 -11.979 -6.703 1.00 0.00 N ATOM 0 H ARG A 40 1.077 -14.627 0.122 1.00 0.00 H new ATOM 0 HA ARG A 40 2.791 -16.845 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.052 -16.731 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.866 -15.641 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.522 -13.739 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.355 -14.931 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.241 -15.384 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.415 -14.184 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 40 2.739 -13.008 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.544 -14.148 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.748 -13.051 -6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.449 -11.603 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.933 -11.621 -7.463 1.00 0.00 H new ATOM 651 N ASN A 41 4.238 -13.967 -0.176 1.00 0.00 N ATOM 652 CA ASN A 41 5.507 -13.243 -0.231 1.00 0.00 C ATOM 653 C ASN A 41 6.301 -13.392 1.072 1.00 0.00 C ATOM 654 O ASN A 41 7.530 -13.475 1.049 1.00 0.00 O ATOM 655 CB ASN A 41 5.240 -11.762 -0.527 1.00 0.00 C ATOM 656 CG ASN A 41 5.630 -11.377 -1.938 1.00 0.00 C ATOM 657 OD1 ASN A 41 6.552 -10.590 -2.144 1.00 0.00 O ATOM 658 ND2 ASN A 41 4.927 -11.927 -2.922 1.00 0.00 N ATOM 0 H ASN A 41 3.492 -13.459 0.299 1.00 0.00 H new ATOM 0 HA ASN A 41 6.110 -13.673 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.182 -11.549 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.795 -11.147 0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.145 -11.701 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.170 -12.576 -2.707 1.00 0.00 H new ATOM 665 N GLY A 42 5.591 -13.432 2.200 1.00 0.00 N ATOM 666 CA GLY A 42 6.239 -13.579 3.499 1.00 0.00 C ATOM 667 C GLY A 42 6.299 -12.283 4.298 1.00 0.00 C ATOM 668 O GLY A 42 7.347 -11.939 4.846 1.00 0.00 O ATOM 0 H GLY A 42 4.574 -13.365 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.704 -14.330 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.252 -13.952 3.351 1.00 0.00 H new ATOM 672 N PHE A 43 5.177 -11.564 4.366 1.00 0.00 N ATOM 673 CA PHE A 43 5.109 -10.303 5.103 1.00 0.00 C ATOM 674 C PHE A 43 4.212 -10.424 6.336 1.00 0.00 C ATOM 675 O PHE A 43 3.091 -10.925 6.249 1.00 0.00 O ATOM 676 CB PHE A 43 4.591 -9.198 4.184 1.00 0.00 C ATOM 677 CG PHE A 43 5.416 -9.029 2.944 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.795 -8.936 3.015 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.809 -8.973 1.708 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.553 -8.788 1.870 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.556 -8.826 0.560 1.00 0.00 C ATOM 682 CZ PHE A 43 6.931 -8.733 0.639 1.00 0.00 C ATOM 0 H PHE A 43 4.302 -11.835 3.918 1.00 0.00 H new ATOM 0 HA PHE A 43 6.113 -10.054 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.562 -9.422 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.573 -8.256 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.284 -8.980 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.734 -9.045 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.628 -8.716 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.066 -8.784 -0.402 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.518 -8.618 -0.260 1.00 0.00 H new ATOM 692 N GLU A 44 4.725 -9.981 7.487 1.00 0.00 N ATOM 693 CA GLU A 44 3.991 -10.051 8.746 1.00 0.00 C ATOM 694 C GLU A 44 3.243 -8.768 9.066 1.00 0.00 C ATOM 695 O GLU A 44 3.502 -7.718 8.482 1.00 0.00 O ATOM 696 CB GLU A 44 4.954 -10.329 9.883 1.00 0.00 C ATOM 697 CG GLU A 44 5.325 -11.782 10.034 1.00 0.00 C ATOM 698 CD GLU A 44 5.617 -12.479 8.716 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.787 -12.461 8.282 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.677 -13.046 8.121 1.00 0.00 O ATOM 0 H GLU A 44 5.654 -9.567 7.569 1.00 0.00 H new ATOM 0 HA GLU A 44 3.261 -10.853 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.862 -9.748 9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.509 -9.980 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.202 -11.859 10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.512 -12.305 10.539 1.00 0.00 H new ATOM 707 N ASN A 45 2.332 -8.875 10.039 1.00 0.00 N ATOM 708 CA ASN A 45 1.530 -7.745 10.522 1.00 0.00 C ATOM 709 C ASN A 45 0.445 -7.302 9.540 1.00 0.00 C ATOM 710 O ASN A 45 -0.666 -6.982 9.958 1.00 0.00 O ATOM 711 CB ASN A 45 2.428 -6.560 10.886 1.00 0.00 C ATOM 712 CG ASN A 45 3.246 -6.809 12.140 1.00 0.00 C ATOM 713 OD1 ASN A 45 4.507 -7.183 11.959 1.00 0.00 O flip ATOM 714 ND2 ASN A 45 2.750 -6.663 13.257 1.00 0.00 N flip ATOM 0 H ASN A 45 2.129 -9.753 10.517 1.00 0.00 H new ATOM 0 HA ASN A 45 1.015 -8.102 11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.100 -6.350 10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.811 -5.673 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.776 -6.374 13.349 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.313 -6.831 14.091 1.00 0.00 H new ATOM 721 N ILE A 46 0.780 -7.301 8.252 1.00 0.00 N ATOM 722 CA ILE A 46 -0.121 -6.917 7.171 1.00 0.00 C ATOM 723 C ILE A 46 -1.317 -6.096 7.640 1.00 0.00 C ATOM 724 O ILE A 46 -2.385 -6.631 7.951 1.00 0.00 O ATOM 725 CB ILE A 46 -0.583 -8.165 6.425 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.637 -8.909 5.896 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.537 -7.806 5.297 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.336 -10.324 5.476 1.00 0.00 C ATOM 0 H ILE A 46 1.707 -7.574 7.925 1.00 0.00 H new ATOM 0 HA ILE A 46 0.441 -6.267 6.501 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.128 -8.813 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.046 -8.364 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.408 -8.922 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.850 -8.714 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.412 -7.301 5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.034 -7.145 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.247 -10.796 5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.045 -10.884 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.413 -10.317 4.684 1.00 0.00 H new ATOM 740 N ARG A 47 -1.116 -4.787 7.670 1.00 0.00 N ATOM 741 CA ARG A 47 -2.156 -3.851 8.080 1.00 0.00 C ATOM 742 C ARG A 47 -2.994 -3.452 6.884 1.00 0.00 C ATOM 743 O ARG A 47 -2.460 -3.180 5.810 1.00 0.00 O ATOM 744 CB ARG A 47 -1.552 -2.613 8.736 1.00 0.00 C ATOM 745 CG ARG A 47 -2.385 -2.090 9.889 1.00 0.00 C ATOM 746 CD ARG A 47 -2.860 -0.676 9.629 1.00 0.00 C ATOM 747 NE ARG A 47 -3.776 -0.207 10.666 1.00 0.00 N ATOM 748 CZ ARG A 47 -5.054 -0.582 10.761 1.00 0.00 C ATOM 749 NH1 ARG A 47 -5.587 -1.405 9.862 1.00 0.00 N ATOM 750 NH2 ARG A 47 -5.802 -0.126 11.759 1.00 0.00 N ATOM 0 H ARG A 47 -0.234 -4.344 7.413 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.792 -4.346 8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.551 -2.851 9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.443 -1.828 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.245 -2.742 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.796 -2.115 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.000 -0.009 9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.357 -0.633 8.660 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.417 0.448 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.018 -1.756 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.564 -1.685 9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.400 0.508 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.779 -0.410 11.835 1.00 0.00 H new ATOM 764 N HIS A 48 -4.309 -3.439 7.063 1.00 0.00 N ATOM 765 CA HIS A 48 -5.200 -3.100 5.970 1.00 0.00 C ATOM 766 C HIS A 48 -5.655 -1.650 6.016 1.00 0.00 C ATOM 767 O HIS A 48 -6.368 -1.233 6.929 1.00 0.00 O ATOM 768 CB HIS A 48 -6.407 -4.035 5.942 1.00 0.00 C ATOM 769 CG HIS A 48 -6.045 -5.423 5.550 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.351 -5.958 4.322 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.378 -6.378 6.224 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.891 -7.189 4.256 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.294 -7.471 5.402 1.00 0.00 N ATOM 0 H HIS A 48 -4.774 -3.657 7.944 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.629 -3.229 5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.874 -4.049 6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.148 -3.645 5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.983 -6.298 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.985 -7.855 3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.845 -8.357 5.635 1.00 0.00 H new ATOM 782 N PHE A 49 -5.255 -0.902 4.994 1.00 0.00 N ATOM 783 CA PHE A 49 -5.626 0.493 4.858 1.00 0.00 C ATOM 784 C PHE A 49 -6.715 0.596 3.803 1.00 0.00 C ATOM 785 O PHE A 49 -6.463 0.488 2.594 1.00 0.00 O ATOM 786 CB PHE A 49 -4.402 1.348 4.515 1.00 0.00 C ATOM 787 CG PHE A 49 -3.267 1.131 5.473 1.00 0.00 C ATOM 788 CD1 PHE A 49 -3.238 1.803 6.677 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.240 0.246 5.178 1.00 0.00 C ATOM 790 CE1 PHE A 49 -2.211 1.606 7.573 1.00 0.00 C ATOM 791 CE2 PHE A 49 -1.207 0.046 6.074 1.00 0.00 C ATOM 792 CZ PHE A 49 -1.193 0.727 7.272 1.00 0.00 C ATOM 0 H PHE A 49 -4.664 -1.250 4.239 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.013 0.878 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.070 1.114 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.684 2.401 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.032 2.493 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.248 -0.291 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.203 2.140 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.411 -0.644 5.835 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.386 0.572 7.973 1.00 0.00 H new ATOM 802 N THR A 50 -7.937 0.737 4.299 1.00 0.00 N ATOM 803 CA THR A 50 -9.127 0.788 3.467 1.00 0.00 C ATOM 804 C THR A 50 -9.274 2.091 2.717 1.00 0.00 C ATOM 805 O THR A 50 -8.776 3.141 3.130 1.00 0.00 O ATOM 806 CB THR A 50 -10.368 0.542 4.329 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.373 -0.126 3.587 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.976 1.812 4.893 1.00 0.00 C ATOM 0 H THR A 50 -8.129 0.820 5.297 1.00 0.00 H new ATOM 0 HA THR A 50 -9.023 0.005 2.716 1.00 0.00 H new ATOM 0 HB THR A 50 -10.019 -0.070 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.156 -0.275 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.851 1.561 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.242 2.321 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.273 2.468 4.075 1.00 0.00 H new ATOM 816 N ASP A 51 -9.985 1.991 1.604 1.00 0.00 N ATOM 817 CA ASP A 51 -10.250 3.124 0.751 1.00 0.00 C ATOM 818 C ASP A 51 -11.751 3.298 0.599 1.00 0.00 C ATOM 819 O ASP A 51 -12.465 2.342 0.299 1.00 0.00 O ATOM 820 CB ASP A 51 -9.598 2.927 -0.622 1.00 0.00 C ATOM 821 CG ASP A 51 -8.077 2.766 -0.581 1.00 0.00 C ATOM 822 OD1 ASP A 51 -7.538 2.268 0.431 1.00 0.00 O ATOM 823 OD2 ASP A 51 -7.420 3.153 -1.568 1.00 0.00 O ATOM 0 H ASP A 51 -10.392 1.117 1.272 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.825 4.020 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.032 2.046 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.844 3.781 -1.254 1.00 0.00 H new ATOM 828 N ASP A 52 -12.230 4.512 0.824 1.00 0.00 N ATOM 829 CA ASP A 52 -13.653 4.790 0.728 1.00 0.00 C ATOM 830 C ASP A 52 -13.899 6.211 0.247 1.00 0.00 C ATOM 831 O ASP A 52 -13.653 7.174 0.975 1.00 0.00 O ATOM 832 CB ASP A 52 -14.314 4.562 2.086 1.00 0.00 C ATOM 833 CG ASP A 52 -15.799 4.869 2.075 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.573 4.034 1.561 1.00 0.00 O ATOM 835 OD2 ASP A 52 -16.188 5.942 2.576 1.00 0.00 O ATOM 0 H ASP A 52 -11.656 5.317 1.073 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.093 4.111 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.164 3.526 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.824 5.186 2.833 1.00 0.00 H new ATOM 840 N GLY A 53 -14.381 6.328 -0.987 1.00 0.00 N ATOM 841 CA GLY A 53 -14.657 7.634 -1.564 1.00 0.00 C ATOM 842 C GLY A 53 -13.459 8.565 -1.496 1.00 0.00 C ATOM 843 O GLY A 53 -13.572 9.695 -1.019 1.00 0.00 O ATOM 0 H GLY A 53 -14.586 5.539 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.959 7.512 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.497 8.089 -1.039 1.00 0.00 H new ATOM 847 N PHE A 54 -12.309 8.084 -1.969 1.00 0.00 N ATOM 848 CA PHE A 54 -11.085 8.868 -1.960 1.00 0.00 C ATOM 849 C PHE A 54 -11.073 9.871 -3.108 1.00 0.00 C ATOM 850 O PHE A 54 -11.791 9.717 -4.098 1.00 0.00 O ATOM 851 CB PHE A 54 -9.856 7.953 -2.069 1.00 0.00 C ATOM 852 CG PHE A 54 -9.444 7.300 -0.776 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.701 7.910 0.441 1.00 0.00 C ATOM 854 CD2 PHE A 54 -8.802 6.067 -0.773 1.00 0.00 C ATOM 855 CE1 PHE A 54 -9.332 7.308 1.622 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.427 5.476 0.418 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.691 6.094 1.612 1.00 0.00 C ATOM 0 H PHE A 54 -12.205 7.149 -2.364 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.046 9.411 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.063 7.175 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.018 8.536 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.197 8.869 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.595 5.568 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.548 7.793 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.923 4.521 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.396 5.628 2.541 1.00 0.00 H new ATOM 867 N SER A 55 -10.236 10.887 -2.964 1.00 0.00 N ATOM 868 CA SER A 55 -10.091 11.927 -3.980 1.00 0.00 C ATOM 869 C SER A 55 -9.184 11.442 -5.113 1.00 0.00 C ATOM 870 O SER A 55 -8.547 10.392 -4.998 1.00 0.00 O ATOM 871 CB SER A 55 -9.530 13.208 -3.354 1.00 0.00 C ATOM 872 OG SER A 55 -10.572 14.035 -2.865 1.00 0.00 O ATOM 0 H SER A 55 -9.640 11.017 -2.146 1.00 0.00 H new ATOM 0 HA SER A 55 -11.074 12.147 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.852 12.952 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.946 13.753 -4.095 1.00 0.00 H new ATOM 0 HG SER A 55 -10.188 14.845 -2.469 1.00 0.00 H new ATOM 878 N GLY A 56 -9.135 12.199 -6.209 1.00 0.00 N ATOM 879 CA GLY A 56 -8.310 11.811 -7.342 1.00 0.00 C ATOM 880 C GLY A 56 -7.169 12.774 -7.614 1.00 0.00 C ATOM 881 O GLY A 56 -6.849 13.040 -8.772 1.00 0.00 O ATOM 0 H GLY A 56 -9.650 13.071 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.901 10.817 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.936 11.741 -8.231 1.00 0.00 H new ATOM 885 N VAL A 57 -6.554 13.301 -6.552 1.00 0.00 N ATOM 886 CA VAL A 57 -5.443 14.237 -6.704 1.00 0.00 C ATOM 887 C VAL A 57 -4.072 13.556 -6.536 1.00 0.00 C ATOM 888 O VAL A 57 -3.172 13.787 -7.347 1.00 0.00 O ATOM 889 CB VAL A 57 -5.573 15.446 -5.744 1.00 0.00 C ATOM 890 CG1 VAL A 57 -5.697 15.010 -4.291 1.00 0.00 C ATOM 891 CG2 VAL A 57 -4.405 16.401 -5.925 1.00 0.00 C ATOM 0 H VAL A 57 -6.806 13.096 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.499 14.609 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.494 15.969 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.786 15.890 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.582 14.385 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.812 14.442 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.515 17.243 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.472 15.879 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.389 16.766 -6.952 1.00 0.00 H new ATOM 901 N ASN A 58 -3.909 12.721 -5.492 1.00 0.00 N ATOM 902 CA ASN A 58 -2.630 12.026 -5.245 1.00 0.00 C ATOM 903 C ASN A 58 -2.636 11.235 -3.925 1.00 0.00 C ATOM 904 O ASN A 58 -3.177 10.131 -3.874 1.00 0.00 O ATOM 905 CB ASN A 58 -1.440 13.011 -5.291 1.00 0.00 C ATOM 906 CG ASN A 58 -1.776 14.441 -4.865 1.00 0.00 C ATOM 907 OD1 ASN A 58 -2.671 14.608 -3.893 1.00 0.00 O flip ATOM 908 ND2 ASN A 58 -1.224 15.396 -5.411 1.00 0.00 N flip ATOM 0 H ASN A 58 -4.639 12.512 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.508 11.302 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.647 12.631 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.043 13.033 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.543 15.235 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.448 16.348 -5.122 1.00 0.00 H new ATOM 915 N PHE A 59 -2.013 11.779 -2.870 1.00 0.00 N ATOM 916 CA PHE A 59 -1.939 11.095 -1.579 1.00 0.00 C ATOM 917 C PHE A 59 -2.705 11.872 -0.497 1.00 0.00 C ATOM 918 O PHE A 59 -3.534 12.728 -0.811 1.00 0.00 O ATOM 919 CB PHE A 59 -0.469 10.906 -1.158 1.00 0.00 C ATOM 920 CG PHE A 59 0.477 10.564 -2.288 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.787 11.503 -3.260 1.00 0.00 C ATOM 922 CD2 PHE A 59 1.065 9.310 -2.372 1.00 0.00 C ATOM 923 CE1 PHE A 59 1.656 11.199 -4.289 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.937 9.004 -3.399 1.00 0.00 C ATOM 925 CZ PHE A 59 2.232 9.949 -4.358 1.00 0.00 C ATOM 0 H PHE A 59 -1.555 12.690 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.405 10.116 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.123 11.821 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.419 10.115 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.342 12.486 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.838 8.564 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.884 11.941 -5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.388 8.024 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.913 9.710 -5.162 1.00 0.00 H new ATOM 935 N ASN A 60 -2.421 11.562 0.776 1.00 0.00 N ATOM 936 CA ASN A 60 -3.072 12.219 1.916 1.00 0.00 C ATOM 937 C ASN A 60 -4.555 11.853 2.001 1.00 0.00 C ATOM 938 O ASN A 60 -5.435 12.646 1.669 1.00 0.00 O ATOM 939 CB ASN A 60 -2.881 13.742 1.855 1.00 0.00 C ATOM 940 CG ASN A 60 -1.413 14.154 1.865 1.00 0.00 C ATOM 941 OD1 ASN A 60 -0.564 13.374 2.535 1.00 0.00 O flip ATOM 942 ND2 ASN A 60 -1.045 15.171 1.280 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.738 10.853 1.042 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.592 11.855 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.356 14.127 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.388 14.202 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.723 15.744 0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.062 15.442 1.297 1.00 0.00 H new ATOM 949 N ARG A 61 -4.802 10.633 2.465 1.00 0.00 N ATOM 950 CA ARG A 61 -6.152 10.090 2.635 1.00 0.00 C ATOM 951 C ARG A 61 -6.298 9.579 4.068 1.00 0.00 C ATOM 952 O ARG A 61 -5.305 9.369 4.742 1.00 0.00 O ATOM 953 CB ARG A 61 -6.393 8.940 1.641 1.00 0.00 C ATOM 954 CG ARG A 61 -5.337 8.815 0.541 1.00 0.00 C ATOM 955 CD ARG A 61 -5.753 9.542 -0.728 1.00 0.00 C ATOM 956 NE ARG A 61 -6.488 8.671 -1.647 1.00 0.00 N ATOM 957 CZ ARG A 61 -6.516 8.831 -2.973 1.00 0.00 C ATOM 958 NH1 ARG A 61 -5.821 9.803 -3.552 1.00 0.00 N ATOM 959 NH2 ARG A 61 -7.234 8.007 -3.727 1.00 0.00 N ATOM 0 H ARG A 61 -4.065 9.983 2.738 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.887 10.871 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.434 8.002 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.369 9.079 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.390 9.221 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.168 7.762 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.374 10.399 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.867 9.931 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.012 7.892 -1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.259 10.436 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.849 9.916 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.765 7.251 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.255 8.130 -4.739 1.00 0.00 H new ATOM 973 N PRO A 62 -7.526 9.366 4.559 1.00 0.00 N ATOM 974 CA PRO A 62 -7.754 8.862 5.924 1.00 0.00 C ATOM 975 C PRO A 62 -7.062 7.507 6.139 1.00 0.00 C ATOM 976 O PRO A 62 -6.092 7.407 6.904 1.00 0.00 O ATOM 977 CB PRO A 62 -9.281 8.736 6.014 1.00 0.00 C ATOM 978 CG PRO A 62 -9.754 8.736 4.601 1.00 0.00 C ATOM 979 CD PRO A 62 -8.775 9.584 3.835 1.00 0.00 C ATOM 0 HA PRO A 62 -7.343 9.518 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.571 7.819 6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.713 9.565 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.788 7.723 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.763 9.142 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.699 9.273 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.064 10.635 3.834 1.00 0.00 H new ATOM 987 N GLY A 63 -7.534 6.474 5.429 1.00 0.00 N ATOM 988 CA GLY A 63 -6.920 5.157 5.526 1.00 0.00 C ATOM 989 C GLY A 63 -5.451 5.214 5.143 1.00 0.00 C ATOM 990 O GLY A 63 -4.605 4.564 5.762 1.00 0.00 O ATOM 0 H GLY A 63 -8.328 6.529 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.020 4.779 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.443 4.458 4.873 1.00 0.00 H new ATOM 994 N PHE A 64 -5.160 6.029 4.128 1.00 0.00 N ATOM 995 CA PHE A 64 -3.804 6.238 3.639 1.00 0.00 C ATOM 996 C PHE A 64 -2.943 6.887 4.720 1.00 0.00 C ATOM 997 O PHE A 64 -1.790 6.510 4.916 1.00 0.00 O ATOM 998 CB PHE A 64 -3.867 7.136 2.405 1.00 0.00 C ATOM 999 CG PHE A 64 -2.543 7.441 1.776 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.578 8.151 2.466 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.272 7.027 0.489 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.364 8.439 1.884 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.064 7.311 -0.101 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.103 8.019 0.597 1.00 0.00 C ATOM 0 H PHE A 64 -5.866 6.564 3.622 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.354 5.280 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.505 6.660 1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.346 8.075 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.779 8.484 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.018 6.473 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.382 8.993 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.865 6.981 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.848 8.242 0.136 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.521 7.863 5.423 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.823 8.564 6.495 1.00 0.00 C ATOM 1016 C GLN A 65 -2.380 7.570 7.556 1.00 0.00 C ATOM 1017 O GLN A 65 -1.331 7.740 8.172 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.705 9.659 7.104 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.577 11.003 6.398 1.00 0.00 C ATOM 1020 CD GLN A 65 -3.828 12.178 7.324 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -4.948 12.383 7.792 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -2.786 12.958 7.593 1.00 0.00 N ATOM 0 H GLN A 65 -4.476 8.185 5.266 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.941 9.050 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.746 9.337 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.444 9.783 8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.578 11.090 5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.284 11.042 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.875 12.751 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.897 13.763 8.209 1.00 0.00 H new ATOM 1031 N SER A 66 -3.159 6.499 7.721 1.00 0.00 N ATOM 1032 CA SER A 66 -2.802 5.444 8.661 1.00 0.00 C ATOM 1033 C SER A 66 -1.591 4.711 8.095 1.00 0.00 C ATOM 1034 O SER A 66 -0.614 4.455 8.801 1.00 0.00 O ATOM 1035 CB SER A 66 -3.972 4.482 8.869 1.00 0.00 C ATOM 1036 OG SER A 66 -3.753 3.639 9.987 1.00 0.00 O ATOM 0 H SER A 66 -4.033 6.343 7.219 1.00 0.00 H new ATOM 0 HA SER A 66 -2.563 5.871 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.891 5.050 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.110 3.875 7.974 1.00 0.00 H new ATOM 0 HG SER A 66 -4.518 3.036 10.097 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.657 4.428 6.786 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.569 3.785 6.063 1.00 0.00 C ATOM 1044 C LEU A 67 0.721 4.603 6.252 1.00 0.00 C ATOM 1045 O LEU A 67 1.756 4.080 6.691 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.965 3.678 4.572 1.00 0.00 C ATOM 1047 CG LEU A 67 0.092 4.113 3.562 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.264 3.157 3.600 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.508 4.173 2.168 1.00 0.00 C ATOM 0 H LEU A 67 -2.469 4.641 6.206 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.386 2.781 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.234 2.643 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.860 4.279 4.411 1.00 0.00 H new ATOM 0 HG LEU A 67 0.448 5.109 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.015 3.473 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.700 3.156 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.922 2.152 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.256 4.485 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.882 3.188 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.329 4.890 2.156 1.00 0.00 H new ATOM 1061 N ILE A 68 0.635 5.902 5.944 1.00 0.00 N ATOM 1062 CA ILE A 68 1.765 6.813 6.093 1.00 0.00 C ATOM 1063 C ILE A 68 2.175 6.929 7.564 1.00 0.00 C ATOM 1064 O ILE A 68 3.362 7.010 7.869 1.00 0.00 O ATOM 1065 CB ILE A 68 1.440 8.218 5.508 1.00 0.00 C ATOM 1066 CG1 ILE A 68 2.533 8.675 4.530 1.00 0.00 C ATOM 1067 CG2 ILE A 68 1.262 9.255 6.614 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.844 7.687 3.423 1.00 0.00 C ATOM 0 H ILE A 68 -0.213 6.344 5.588 1.00 0.00 H new ATOM 0 HA ILE A 68 2.601 6.399 5.529 1.00 0.00 H new ATOM 0 HB ILE A 68 0.499 8.131 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.228 9.620 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.446 8.870 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.036 10.225 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.442 8.954 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.181 9.327 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.626 8.093 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.184 6.747 3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.946 7.509 2.831 1.00 0.00 H new ATOM 1080 N LYS A 69 1.186 6.924 8.470 1.00 0.00 N ATOM 1081 CA LYS A 69 1.458 7.018 9.906 1.00 0.00 C ATOM 1082 C LYS A 69 2.412 5.910 10.344 1.00 0.00 C ATOM 1083 O LYS A 69 3.275 6.116 11.197 1.00 0.00 O ATOM 1084 CB LYS A 69 0.166 6.944 10.721 1.00 0.00 C ATOM 1085 CG LYS A 69 0.382 7.242 12.197 1.00 0.00 C ATOM 1086 CD LYS A 69 -0.026 6.081 13.095 1.00 0.00 C ATOM 1087 CE LYS A 69 0.420 4.737 12.545 1.00 0.00 C ATOM 1088 NZ LYS A 69 -0.731 3.827 12.308 1.00 0.00 N ATOM 0 H LYS A 69 0.196 6.856 8.232 1.00 0.00 H new ATOM 0 HA LYS A 69 1.926 7.985 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.556 7.652 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.268 5.950 10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.433 7.476 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.190 8.128 12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.403 6.225 14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.110 6.080 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.962 4.888 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.114 4.271 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.396 2.843 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.424 3.936 13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.180 4.064 11.400 1.00 0.00 H new ATOM 1102 N GLU A 70 2.267 4.737 9.738 1.00 0.00 N ATOM 1103 CA GLU A 70 3.142 3.618 10.048 1.00 0.00 C ATOM 1104 C GLU A 70 4.513 3.886 9.443 1.00 0.00 C ATOM 1105 O GLU A 70 5.538 3.579 10.049 1.00 0.00 O ATOM 1106 CB GLU A 70 2.569 2.304 9.507 1.00 0.00 C ATOM 1107 CG GLU A 70 1.231 1.922 10.123 1.00 0.00 C ATOM 1108 CD GLU A 70 1.369 1.025 11.341 1.00 0.00 C ATOM 1109 OE1 GLU A 70 2.289 1.255 12.154 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.551 0.093 11.485 1.00 0.00 O ATOM 0 H GLU A 70 1.556 4.539 9.034 1.00 0.00 H new ATOM 0 HA GLU A 70 3.226 3.519 11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.451 2.386 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.285 1.503 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.696 2.829 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.624 1.415 9.373 1.00 0.00 H new ATOM 1117 N VAL A 71 4.519 4.486 8.246 1.00 0.00 N ATOM 1118 CA VAL A 71 5.768 4.821 7.566 1.00 0.00 C ATOM 1119 C VAL A 71 6.581 5.845 8.368 1.00 0.00 C ATOM 1120 O VAL A 71 7.788 5.679 8.545 1.00 0.00 O ATOM 1121 CB VAL A 71 5.528 5.404 6.150 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.845 5.543 5.410 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.552 4.561 5.339 1.00 0.00 C ATOM 0 H VAL A 71 3.676 4.747 7.734 1.00 0.00 H new ATOM 0 HA VAL A 71 6.319 3.885 7.480 1.00 0.00 H new ATOM 0 HB VAL A 71 5.078 6.389 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.663 5.953 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.505 6.211 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.315 4.564 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.415 5.009 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.949 3.552 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.593 4.518 5.855 1.00 0.00 H new ATOM 1133 N GLU A 72 5.914 6.904 8.846 1.00 0.00 N ATOM 1134 CA GLU A 72 6.584 7.956 9.624 1.00 0.00 C ATOM 1135 C GLU A 72 7.177 7.384 10.905 1.00 0.00 C ATOM 1136 O GLU A 72 8.333 7.649 11.236 1.00 0.00 O ATOM 1137 CB GLU A 72 5.630 9.117 9.948 1.00 0.00 C ATOM 1138 CG GLU A 72 4.182 8.704 10.160 1.00 0.00 C ATOM 1139 CD GLU A 72 3.404 9.698 11.005 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.317 10.878 10.606 1.00 0.00 O ATOM 1141 OE2 GLU A 72 2.879 9.295 12.063 1.00 0.00 O ATOM 0 H GLU A 72 4.915 7.055 8.709 1.00 0.00 H new ATOM 0 HA GLU A 72 7.392 8.351 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.985 9.623 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.672 9.843 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.694 8.597 9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.155 7.726 10.640 1.00 0.00 H new ATOM 1148 N ALA A 73 6.389 6.573 11.606 1.00 0.00 N ATOM 1149 CA ALA A 73 6.841 5.930 12.836 1.00 0.00 C ATOM 1150 C ALA A 73 7.923 4.880 12.544 1.00 0.00 C ATOM 1151 O ALA A 73 8.563 4.363 13.461 1.00 0.00 O ATOM 1152 CB ALA A 73 5.657 5.288 13.539 1.00 0.00 C ATOM 0 H ALA A 73 5.431 6.345 11.342 1.00 0.00 H new ATOM 0 HA ALA A 73 7.279 6.688 13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.996 4.808 14.457 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.919 6.053 13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.206 4.542 12.885 1.00 0.00 H new ATOM 1158 N GLY A 74 8.109 4.563 11.257 1.00 0.00 N ATOM 1159 CA GLY A 74 9.090 3.577 10.849 1.00 0.00 C ATOM 1160 C GLY A 74 8.662 2.168 11.223 1.00 0.00 C ATOM 1161 O GLY A 74 9.408 1.427 11.864 1.00 0.00 O ATOM 0 H GLY A 74 7.587 4.981 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.240 3.637 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.048 3.802 11.317 1.00 0.00 H new ATOM 1165 N ASN A 75 7.435 1.821 10.828 1.00 0.00 N ATOM 1166 CA ASN A 75 6.841 0.522 11.111 1.00 0.00 C ATOM 1167 C ASN A 75 6.567 -0.255 9.827 1.00 0.00 C ATOM 1168 O ASN A 75 6.842 -1.450 9.753 1.00 0.00 O ATOM 1169 CB ASN A 75 5.529 0.742 11.866 1.00 0.00 C ATOM 1170 CG ASN A 75 5.738 1.108 13.323 1.00 0.00 C ATOM 1171 OD1 ASN A 75 6.867 1.282 13.781 1.00 0.00 O ATOM 1172 ND2 ASN A 75 4.643 1.241 14.058 1.00 0.00 N ATOM 0 H ASN A 75 6.824 2.443 10.298 1.00 0.00 H new ATOM 0 HA ASN A 75 7.538 -0.062 11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.963 1.534 11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.926 -0.164 11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.718 1.497 15.043 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.726 1.088 13.639 1.00 0.00 H new ATOM 1179 N VAL A 76 6.010 0.426 8.825 1.00 0.00 N ATOM 1180 CA VAL A 76 5.681 -0.204 7.548 1.00 0.00 C ATOM 1181 C VAL A 76 6.933 -0.684 6.800 1.00 0.00 C ATOM 1182 O VAL A 76 7.450 0.004 5.921 1.00 0.00 O ATOM 1183 CB VAL A 76 4.881 0.759 6.644 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.695 1.985 6.296 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.418 0.050 5.385 1.00 0.00 C ATOM 0 H VAL A 76 5.777 1.418 8.875 1.00 0.00 H new ATOM 0 HA VAL A 76 5.068 -1.075 7.781 1.00 0.00 H new ATOM 0 HB VAL A 76 4.002 1.087 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.106 2.644 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.968 2.512 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.599 1.683 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.856 0.745 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.284 -0.314 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.780 -0.792 5.655 1.00 0.00 H new ATOM 1195 N GLU A 77 7.403 -1.877 7.144 1.00 0.00 N ATOM 1196 CA GLU A 77 8.584 -2.453 6.498 1.00 0.00 C ATOM 1197 C GLU A 77 8.286 -2.912 5.063 1.00 0.00 C ATOM 1198 O GLU A 77 9.203 -3.270 4.322 1.00 0.00 O ATOM 1199 CB GLU A 77 9.114 -3.627 7.318 1.00 0.00 C ATOM 1200 CG GLU A 77 8.139 -4.786 7.416 1.00 0.00 C ATOM 1201 CD GLU A 77 8.802 -6.129 7.188 1.00 0.00 C ATOM 1202 OE1 GLU A 77 9.364 -6.338 6.092 1.00 0.00 O ATOM 1203 OE2 GLU A 77 8.757 -6.973 8.104 1.00 0.00 O ATOM 0 H GLU A 77 6.988 -2.466 7.865 1.00 0.00 H new ATOM 0 HA GLU A 77 9.342 -1.671 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.043 -3.981 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.355 -3.279 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.671 -4.779 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.344 -4.649 6.683 1.00 0.00 H new ATOM 1210 N THR A 78 7.004 -2.915 4.679 1.00 0.00 N ATOM 1211 CA THR A 78 6.600 -3.346 3.339 1.00 0.00 C ATOM 1212 C THR A 78 5.302 -2.683 2.906 1.00 0.00 C ATOM 1213 O THR A 78 4.477 -2.325 3.739 1.00 0.00 O ATOM 1214 CB THR A 78 6.409 -4.861 3.289 1.00 0.00 C ATOM 1215 OG1 THR A 78 7.138 -5.513 4.317 1.00 0.00 O ATOM 1216 CG2 THR A 78 6.840 -5.450 1.974 1.00 0.00 C ATOM 0 H THR A 78 6.231 -2.624 5.277 1.00 0.00 H new ATOM 0 HA THR A 78 7.399 -3.049 2.660 1.00 0.00 H new ATOM 0 HB THR A 78 5.340 -5.023 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.173 -6.475 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.684 -6.529 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.252 -5.010 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.897 -5.239 1.810 1.00 0.00 H new ATOM 1224 N LEU A 79 5.116 -2.548 1.595 1.00 0.00 N ATOM 1225 CA LEU A 79 3.896 -1.962 1.060 1.00 0.00 C ATOM 1226 C LEU A 79 3.319 -2.840 -0.040 1.00 0.00 C ATOM 1227 O LEU A 79 3.976 -3.118 -1.042 1.00 0.00 O ATOM 1228 CB LEU A 79 4.132 -0.559 0.508 1.00 0.00 C ATOM 1229 CG LEU A 79 2.882 0.342 0.389 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.599 -0.468 0.311 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.792 1.308 1.550 1.00 0.00 C ATOM 0 H LEU A 79 5.793 -2.836 0.889 1.00 0.00 H new ATOM 0 HA LEU A 79 3.189 -1.892 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.858 -0.056 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.585 -0.650 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 79 2.993 0.901 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.747 0.207 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.632 -1.119 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.496 -1.074 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.903 1.929 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.730 0.750 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.678 1.943 1.565 1.00 0.00 H new ATOM 1243 N ILE A 80 2.085 -3.258 0.163 1.00 0.00 N ATOM 1244 CA ILE A 80 1.378 -4.094 -0.792 1.00 0.00 C ATOM 1245 C ILE A 80 0.124 -3.373 -1.298 1.00 0.00 C ATOM 1246 O ILE A 80 -0.837 -3.168 -0.549 1.00 0.00 O ATOM 1247 CB ILE A 80 0.995 -5.452 -0.162 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.238 -6.326 0.037 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.020 -6.177 -1.025 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.221 -5.777 1.049 1.00 0.00 C ATOM 0 H ILE A 80 1.542 -3.028 0.995 1.00 0.00 H new ATOM 0 HA ILE A 80 2.042 -4.286 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 80 0.547 -5.257 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.923 -7.320 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.745 -6.442 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.276 -7.131 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.919 -5.567 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.404 -6.355 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.072 -6.452 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.567 -4.795 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.732 -5.687 2.019 1.00 0.00 H new ATOM 1262 N VAL A 81 0.154 -2.979 -2.572 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.962 -2.271 -3.198 1.00 0.00 C ATOM 1264 C VAL A 81 -1.424 -2.993 -4.463 1.00 0.00 C ATOM 1265 O VAL A 81 -0.618 -3.613 -5.166 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.572 -0.826 -3.594 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.800 -0.031 -4.014 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.153 -0.101 -2.463 1.00 0.00 C ATOM 0 H VAL A 81 0.946 -3.140 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.764 -2.245 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 81 0.112 -0.901 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.502 0.981 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.271 -0.515 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.507 0.011 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.408 0.909 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.495 -0.051 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.064 -0.642 -2.209 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.716 -2.877 -4.773 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.266 -3.483 -5.976 1.00 0.00 C ATOM 1280 C LYS A 82 -2.512 -2.967 -7.202 1.00 0.00 C ATOM 1281 O LYS A 82 -2.236 -3.721 -8.130 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.750 -3.152 -6.096 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.615 -4.366 -6.353 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.397 -4.905 -7.753 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.118 -6.398 -7.736 1.00 0.00 C ATOM 1286 NZ LYS A 82 -5.950 -7.140 -8.724 1.00 0.00 N ATOM 0 H LYS A 82 -3.396 -2.370 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.152 -4.565 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.082 -2.666 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.891 -2.436 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.386 -5.141 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.665 -4.103 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.278 -4.705 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.562 -4.383 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.063 -6.571 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.309 -6.790 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.826 -8.163 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.951 -6.891 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.655 -6.884 -9.688 1.00 0.00 H new ATOM 1300 N ASP A 83 -2.169 -1.671 -7.186 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.426 -1.057 -8.287 1.00 0.00 C ATOM 1302 C ASP A 83 -0.915 0.336 -7.916 1.00 0.00 C ATOM 1303 O ASP A 83 -1.379 0.947 -6.951 1.00 0.00 O ATOM 1304 CB ASP A 83 -2.275 -0.991 -9.562 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.759 -0.845 -9.287 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -4.194 0.279 -8.980 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.484 -1.856 -9.382 1.00 0.00 O ATOM 0 H ASP A 83 -2.395 -1.032 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.562 -1.692 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.941 -0.150 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.108 -1.895 -10.148 1.00 0.00 H new ATOM 1312 N MET A 84 0.059 0.821 -8.691 1.00 0.00 N ATOM 1313 CA MET A 84 0.669 2.131 -8.463 1.00 0.00 C ATOM 1314 C MET A 84 -0.305 3.291 -8.699 1.00 0.00 C ATOM 1315 O MET A 84 0.030 4.440 -8.406 1.00 0.00 O ATOM 1316 CB MET A 84 1.896 2.301 -9.365 1.00 0.00 C ATOM 1317 CG MET A 84 3.199 1.886 -8.705 1.00 0.00 C ATOM 1318 SD MET A 84 3.992 3.245 -7.829 1.00 0.00 S ATOM 1319 CE MET A 84 3.607 2.820 -6.135 1.00 0.00 C ATOM 0 H MET A 84 0.445 0.318 -9.490 1.00 0.00 H new ATOM 0 HA MET A 84 0.963 2.163 -7.414 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.754 1.713 -10.271 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.970 3.345 -9.671 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.006 1.072 -8.007 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.880 1.500 -9.464 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.466 3.040 -5.501 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.749 3.403 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.371 1.758 -6.071 1.00 0.00 H new ATOM 1329 N SER A 85 -1.507 3.004 -9.212 1.00 0.00 N ATOM 1330 CA SER A 85 -2.491 4.058 -9.451 1.00 0.00 C ATOM 1331 C SER A 85 -3.081 4.549 -8.128 1.00 0.00 C ATOM 1332 O SER A 85 -3.607 5.661 -8.049 1.00 0.00 O ATOM 1333 CB SER A 85 -3.600 3.567 -10.386 1.00 0.00 C ATOM 1334 OG SER A 85 -4.602 2.858 -9.680 1.00 0.00 O ATOM 0 H SER A 85 -1.816 2.065 -9.465 1.00 0.00 H new ATOM 0 HA SER A 85 -1.985 4.893 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.048 4.418 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.171 2.923 -11.154 1.00 0.00 H new ATOM 0 HG SER A 85 -4.271 1.964 -9.452 1.00 0.00 H new ATOM 1340 N ARG A 86 -2.980 3.710 -7.091 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.488 4.047 -5.765 1.00 0.00 C ATOM 1342 C ARG A 86 -2.845 5.334 -5.251 1.00 0.00 C ATOM 1343 O ARG A 86 -3.544 6.268 -4.855 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.239 2.885 -4.787 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.346 1.828 -4.769 1.00 0.00 C ATOM 1346 CD ARG A 86 -4.580 1.215 -6.139 1.00 0.00 C ATOM 1347 NE ARG A 86 -5.829 0.452 -6.189 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.790 0.633 -7.103 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -6.646 1.525 -8.079 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -7.903 -0.086 -7.041 1.00 0.00 N ATOM 0 H ARG A 86 -2.548 2.788 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.563 4.213 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.297 2.403 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.123 3.290 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.083 1.042 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.272 2.280 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.606 2.004 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.745 0.562 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.977 -0.266 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.794 2.083 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.387 1.651 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.025 -0.774 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.637 0.050 -7.736 1.00 0.00 H new ATOM 1364 N LEU A 87 -1.515 5.382 -5.273 1.00 0.00 N ATOM 1365 CA LEU A 87 -0.779 6.565 -4.825 1.00 0.00 C ATOM 1366 C LEU A 87 -0.710 7.622 -5.926 1.00 0.00 C ATOM 1367 O LEU A 87 -0.715 8.821 -5.637 1.00 0.00 O ATOM 1368 CB LEU A 87 0.631 6.171 -4.382 1.00 0.00 C ATOM 1369 CG LEU A 87 0.713 5.448 -3.033 1.00 0.00 C ATOM 1370 CD1 LEU A 87 0.404 3.968 -3.198 1.00 0.00 C ATOM 1371 CD2 LEU A 87 2.087 5.640 -2.406 1.00 0.00 C ATOM 0 H LEU A 87 -0.924 4.616 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.313 6.995 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.069 5.530 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.244 7.071 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.033 5.881 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.468 3.473 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.602 3.849 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.124 3.520 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.126 5.120 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.850 5.235 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.270 6.703 -2.249 1.00 0.00 H new ATOM 1383 N GLY A 88 -0.658 7.179 -7.185 1.00 0.00 N ATOM 1384 CA GLY A 88 -0.604 8.115 -8.294 1.00 0.00 C ATOM 1385 C GLY A 88 0.371 7.705 -9.379 1.00 0.00 C ATOM 1386 O GLY A 88 1.255 6.876 -9.156 1.00 0.00 O ATOM 0 H GLY A 88 -0.652 6.195 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.599 8.211 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.324 9.099 -7.917 1.00 0.00 H new ATOM 1390 N ARG A 89 0.214 8.306 -10.556 1.00 0.00 N ATOM 1391 CA ARG A 89 1.089 8.026 -11.691 1.00 0.00 C ATOM 1392 C ARG A 89 2.406 8.782 -11.549 1.00 0.00 C ATOM 1393 O ARG A 89 3.442 8.330 -12.035 1.00 0.00 O ATOM 1394 CB ARG A 89 0.410 8.423 -13.004 1.00 0.00 C ATOM 1395 CG ARG A 89 -0.450 7.327 -13.615 1.00 0.00 C ATOM 1396 CD ARG A 89 -1.491 6.816 -12.637 1.00 0.00 C ATOM 1397 NE ARG A 89 -2.725 7.598 -12.683 1.00 0.00 N ATOM 1398 CZ ARG A 89 -3.487 7.857 -11.618 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -3.155 7.388 -10.417 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -4.589 8.585 -11.756 1.00 0.00 N ATOM 0 H ARG A 89 -0.515 8.993 -10.749 1.00 0.00 H new ATOM 0 HA ARG A 89 1.292 6.955 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.211 9.302 -12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.176 8.713 -13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.946 7.709 -14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.186 6.501 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.716 5.773 -12.861 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.083 6.845 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.023 7.969 -13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.312 6.825 -10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.744 7.591 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.851 8.945 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.173 8.785 -10.944 1.00 0.00 H new ATOM 1414 N ASN A 90 2.347 9.943 -10.885 1.00 0.00 N ATOM 1415 CA ASN A 90 3.524 10.786 -10.675 1.00 0.00 C ATOM 1416 C ASN A 90 4.631 10.025 -9.943 1.00 0.00 C ATOM 1417 O ASN A 90 4.696 10.026 -8.714 1.00 0.00 O ATOM 1418 CB ASN A 90 3.160 12.059 -9.892 1.00 0.00 C ATOM 1419 CG ASN A 90 2.055 11.840 -8.868 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.914 12.243 -9.082 1.00 0.00 O ATOM 1421 ND2 ASN A 90 2.391 11.203 -7.749 1.00 0.00 N ATOM 0 H ASN A 90 1.489 10.319 -10.482 1.00 0.00 H new ATOM 0 HA ASN A 90 3.894 11.073 -11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.049 12.431 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.848 12.832 -10.594 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.689 11.033 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.350 10.885 -7.612 1.00 0.00 H new ATOM 1428 N TYR A 91 5.502 9.381 -10.715 1.00 0.00 N ATOM 1429 CA TYR A 91 6.616 8.614 -10.164 1.00 0.00 C ATOM 1430 C TYR A 91 7.615 9.516 -9.422 1.00 0.00 C ATOM 1431 O TYR A 91 8.443 9.026 -8.655 1.00 0.00 O ATOM 1432 CB TYR A 91 7.290 7.820 -11.286 1.00 0.00 C ATOM 1433 CG TYR A 91 8.499 7.006 -10.871 1.00 0.00 C ATOM 1434 CD1 TYR A 91 9.761 7.579 -10.819 1.00 0.00 C ATOM 1435 CD2 TYR A 91 8.377 5.658 -10.559 1.00 0.00 C ATOM 1436 CE1 TYR A 91 10.866 6.837 -10.461 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.481 4.903 -10.201 1.00 0.00 C ATOM 1438 CZ TYR A 91 10.723 5.501 -10.153 1.00 0.00 C ATOM 1439 OH TYR A 91 11.827 4.762 -9.794 1.00 0.00 O ATOM 0 H TYR A 91 5.457 9.376 -11.734 1.00 0.00 H new ATOM 0 HA TYR A 91 6.230 7.914 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.553 7.147 -11.725 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.593 8.515 -12.069 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.880 8.624 -11.063 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.404 5.191 -10.596 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.841 7.301 -10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.371 3.856 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 91 11.756 3.862 -10.174 1.00 0.00 H new ATOM 1449 N LEU A 92 7.513 10.836 -9.625 1.00 0.00 N ATOM 1450 CA LEU A 92 8.390 11.786 -8.940 1.00 0.00 C ATOM 1451 C LEU A 92 8.060 11.793 -7.448 1.00 0.00 C ATOM 1452 O LEU A 92 8.928 11.565 -6.605 1.00 0.00 O ATOM 1453 CB LEU A 92 8.232 13.197 -9.513 1.00 0.00 C ATOM 1454 CG LEU A 92 8.607 13.348 -10.988 1.00 0.00 C ATOM 1455 CD1 LEU A 92 7.521 12.760 -11.870 1.00 0.00 C ATOM 1456 CD2 LEU A 92 8.842 14.811 -11.334 1.00 0.00 C ATOM 0 H LEU A 92 6.835 11.265 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 92 9.424 11.474 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.196 13.510 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.846 13.880 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 92 9.533 12.802 -11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.801 12.874 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.399 11.701 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.581 13.281 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.108 14.898 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.933 15.381 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.654 15.204 -10.722 1.00 0.00 H new ATOM 1468 N GLN A 93 6.781 12.026 -7.140 1.00 0.00 N ATOM 1469 CA GLN A 93 6.300 12.032 -5.760 1.00 0.00 C ATOM 1470 C GLN A 93 6.210 10.600 -5.240 1.00 0.00 C ATOM 1471 O GLN A 93 6.703 10.291 -4.153 1.00 0.00 O ATOM 1472 CB GLN A 93 4.923 12.700 -5.681 1.00 0.00 C ATOM 1473 CG GLN A 93 4.968 14.219 -5.618 1.00 0.00 C ATOM 1474 CD GLN A 93 5.822 14.745 -4.478 1.00 0.00 C ATOM 1475 OE1 GLN A 93 7.128 14.837 -4.706 1.00 0.00 O flip ATOM 1476 NE2 GLN A 93 5.313 15.070 -3.406 1.00 0.00 N flip ATOM 0 H GLN A 93 6.058 12.214 -7.834 1.00 0.00 H new ATOM 0 HA GLN A 93 7.000 12.597 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.337 12.401 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.401 12.327 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.355 14.604 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.953 14.602 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.305 14.983 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.899 15.426 -2.651 1.00 0.00 H new ATOM 1485 N VAL A 94 5.595 9.725 -6.042 1.00 0.00 N ATOM 1486 CA VAL A 94 5.456 8.314 -5.685 1.00 0.00 C ATOM 1487 C VAL A 94 6.827 7.722 -5.362 1.00 0.00 C ATOM 1488 O VAL A 94 6.986 6.995 -4.376 1.00 0.00 O ATOM 1489 CB VAL A 94 4.785 7.507 -6.825 1.00 0.00 C ATOM 1490 CG1 VAL A 94 4.859 6.009 -6.566 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.337 7.943 -7.001 1.00 0.00 C ATOM 0 H VAL A 94 5.186 9.972 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 94 4.816 8.249 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 94 5.332 7.713 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.379 5.474 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.903 5.703 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.348 5.776 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.879 7.367 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.790 7.771 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.304 9.004 -7.250 1.00 0.00 H new ATOM 1501 N GLY A 95 7.821 8.066 -6.185 1.00 0.00 N ATOM 1502 CA GLY A 95 9.169 7.590 -5.959 1.00 0.00 C ATOM 1503 C GLY A 95 9.719 8.119 -4.659 1.00 0.00 C ATOM 1504 O GLY A 95 10.193 7.350 -3.836 1.00 0.00 O ATOM 0 H GLY A 95 7.710 8.666 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.176 6.500 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.811 7.901 -6.783 1.00 0.00 H new ATOM 1508 N PHE A 96 9.622 9.437 -4.460 1.00 0.00 N ATOM 1509 CA PHE A 96 10.090 10.061 -3.223 1.00 0.00 C ATOM 1510 C PHE A 96 9.665 9.213 -2.025 1.00 0.00 C ATOM 1511 O PHE A 96 10.448 8.973 -1.112 1.00 0.00 O ATOM 1512 CB PHE A 96 9.522 11.485 -3.095 1.00 0.00 C ATOM 1513 CG PHE A 96 9.368 11.963 -1.674 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.264 11.596 -0.916 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.327 12.778 -1.098 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.125 12.032 0.386 1.00 0.00 C ATOM 1517 CE2 PHE A 96 10.192 13.218 0.205 1.00 0.00 C ATOM 1518 CZ PHE A 96 9.089 12.844 0.947 1.00 0.00 C ATOM 0 H PHE A 96 9.225 10.088 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 96 11.178 10.124 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.176 12.174 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.550 11.522 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.505 10.962 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.191 13.074 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.262 11.738 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.948 13.853 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.981 13.187 1.965 1.00 0.00 H new ATOM 1528 N TYR A 97 8.419 8.748 -2.051 1.00 0.00 N ATOM 1529 CA TYR A 97 7.893 7.916 -0.980 1.00 0.00 C ATOM 1530 C TYR A 97 8.646 6.590 -0.887 1.00 0.00 C ATOM 1531 O TYR A 97 9.079 6.196 0.184 1.00 0.00 O ATOM 1532 CB TYR A 97 6.403 7.641 -1.198 1.00 0.00 C ATOM 1533 CG TYR A 97 5.527 8.826 -0.881 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.430 9.311 0.415 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.803 9.464 -1.877 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.635 10.398 0.710 1.00 0.00 C ATOM 1537 CE2 TYR A 97 4.005 10.552 -1.591 1.00 0.00 C ATOM 1538 CZ TYR A 97 3.924 11.016 -0.296 1.00 0.00 C ATOM 1539 OH TYR A 97 3.128 12.099 -0.005 1.00 0.00 O ATOM 0 H TYR A 97 7.757 8.935 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 97 8.029 8.460 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.243 7.346 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.101 6.798 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.986 8.829 1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.865 9.103 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.570 10.763 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.447 11.038 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 97 2.697 12.418 -0.825 1.00 0.00 H new ATOM 1549 N THR A 98 8.773 5.896 -2.013 1.00 0.00 N ATOM 1550 CA THR A 98 9.438 4.589 -2.040 1.00 0.00 C ATOM 1551 C THR A 98 10.982 4.662 -2.050 1.00 0.00 C ATOM 1552 O THR A 98 11.637 3.653 -1.786 1.00 0.00 O ATOM 1553 CB THR A 98 8.960 3.802 -3.269 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.510 4.337 -4.462 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.453 3.785 -3.424 1.00 0.00 C ATOM 0 H THR A 98 8.427 6.212 -2.919 1.00 0.00 H new ATOM 0 HA THR A 98 9.162 4.088 -1.112 1.00 0.00 H new ATOM 0 HB THR A 98 9.304 2.781 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.192 3.818 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.185 3.212 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.002 3.324 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.086 4.806 -3.527 1.00 0.00 H new ATOM 1563 N GLU A 99 11.565 5.820 -2.399 1.00 0.00 N ATOM 1564 CA GLU A 99 13.033 5.943 -2.486 1.00 0.00 C ATOM 1565 C GLU A 99 13.667 6.706 -1.324 1.00 0.00 C ATOM 1566 O GLU A 99 14.719 6.301 -0.839 1.00 0.00 O ATOM 1567 CB GLU A 99 13.447 6.607 -3.803 1.00 0.00 C ATOM 1568 CG GLU A 99 12.481 6.370 -4.950 1.00 0.00 C ATOM 1569 CD GLU A 99 13.085 5.562 -6.084 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.177 5.932 -6.567 1.00 0.00 O ATOM 1571 OE2 GLU A 99 12.465 4.558 -6.489 1.00 0.00 O ATOM 0 H GLU A 99 11.054 6.674 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 99 13.406 4.920 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.544 7.680 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.432 6.237 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.599 5.852 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.144 7.332 -5.337 1.00 0.00 H new ATOM 1578 N VAL A 100 13.073 7.824 -0.909 1.00 0.00 N ATOM 1579 CA VAL A 100 13.640 8.626 0.183 1.00 0.00 C ATOM 1580 C VAL A 100 12.815 8.531 1.474 1.00 0.00 C ATOM 1581 O VAL A 100 13.372 8.491 2.572 1.00 0.00 O ATOM 1582 CB VAL A 100 13.810 10.105 -0.230 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.503 10.693 -0.729 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.375 10.931 0.916 1.00 0.00 C ATOM 0 H VAL A 100 12.209 8.195 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 100 14.624 8.204 0.388 1.00 0.00 H new ATOM 0 HB VAL A 100 14.524 10.137 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.657 11.734 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.158 10.129 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.754 10.638 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.484 11.968 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.697 10.883 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.349 10.535 1.204 1.00 0.00 H new ATOM 1594 N LEU A 101 11.492 8.519 1.331 1.00 0.00 N ATOM 1595 CA LEU A 101 10.577 8.457 2.478 1.00 0.00 C ATOM 1596 C LEU A 101 10.610 7.097 3.190 1.00 0.00 C ATOM 1597 O LEU A 101 10.981 7.011 4.355 1.00 0.00 O ATOM 1598 CB LEU A 101 9.145 8.743 2.007 1.00 0.00 C ATOM 1599 CG LEU A 101 8.189 9.290 3.071 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.222 8.420 4.320 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.538 10.730 3.414 1.00 0.00 C ATOM 0 H LEU A 101 11.022 8.552 0.426 1.00 0.00 H new ATOM 0 HA LEU A 101 10.908 9.210 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.189 9.457 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.724 7.821 1.607 1.00 0.00 H new ATOM 0 HG LEU A 101 7.178 9.269 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.536 8.825 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.921 7.404 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.233 8.407 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.848 11.101 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.557 10.776 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.460 11.347 2.519 1.00 0.00 H new ATOM 1613 N PHE A 102 10.184 6.054 2.481 1.00 0.00 N ATOM 1614 CA PHE A 102 10.109 4.688 3.017 1.00 0.00 C ATOM 1615 C PHE A 102 11.452 4.124 3.533 1.00 0.00 C ATOM 1616 O PHE A 102 11.458 3.317 4.453 1.00 0.00 O ATOM 1617 CB PHE A 102 9.541 3.754 1.946 1.00 0.00 C ATOM 1618 CG PHE A 102 8.064 3.930 1.676 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.427 5.119 1.983 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.315 2.906 1.107 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.083 5.289 1.729 1.00 0.00 C ATOM 1622 CE2 PHE A 102 5.968 3.071 0.853 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.351 4.265 1.163 1.00 0.00 C ATOM 0 H PHE A 102 9.878 6.129 1.511 1.00 0.00 H new ATOM 0 HA PHE A 102 9.455 4.742 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.088 3.913 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.721 2.723 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.991 5.926 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.793 1.969 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.602 6.225 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.398 2.266 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.298 4.398 0.963 1.00 0.00 H new ATOM 1633 N PRO A 103 12.602 4.503 2.943 1.00 0.00 N ATOM 1634 CA PRO A 103 13.927 3.993 3.354 1.00 0.00 C ATOM 1635 C PRO A 103 14.111 3.840 4.865 1.00 0.00 C ATOM 1636 O PRO A 103 14.838 2.951 5.311 1.00 0.00 O ATOM 1637 CB PRO A 103 14.850 5.078 2.832 1.00 0.00 C ATOM 1638 CG PRO A 103 14.200 5.536 1.579 1.00 0.00 C ATOM 1639 CD PRO A 103 12.717 5.420 1.800 1.00 0.00 C ATOM 0 HA PRO A 103 14.103 2.988 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.952 5.893 3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.852 4.692 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.479 6.565 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.515 4.925 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.268 6.389 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.211 5.026 0.919 1.00 0.00 H new ATOM 1647 N GLN A 104 13.463 4.707 5.644 1.00 0.00 N ATOM 1648 CA GLN A 104 13.569 4.662 7.113 1.00 0.00 C ATOM 1649 C GLN A 104 13.410 3.243 7.658 1.00 0.00 C ATOM 1650 O GLN A 104 14.073 2.873 8.626 1.00 0.00 O ATOM 1651 CB GLN A 104 12.533 5.565 7.791 1.00 0.00 C ATOM 1652 CG GLN A 104 12.194 6.815 7.000 1.00 0.00 C ATOM 1653 CD GLN A 104 11.613 7.926 7.855 1.00 0.00 C ATOM 1654 OE1 GLN A 104 10.415 7.951 8.130 1.00 0.00 O ATOM 1655 NE2 GLN A 104 12.461 8.857 8.276 1.00 0.00 N ATOM 0 H GLN A 104 12.860 5.449 5.289 1.00 0.00 H new ATOM 0 HA GLN A 104 14.570 5.025 7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.620 4.993 7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.908 5.858 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.095 7.179 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.481 6.559 6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.448 8.799 8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.125 9.630 8.850 1.00 0.00 H new ATOM 1664 N LYS A 105 12.515 2.461 7.050 1.00 0.00 N ATOM 1665 CA LYS A 105 12.261 1.094 7.504 1.00 0.00 C ATOM 1666 C LYS A 105 12.562 0.042 6.428 1.00 0.00 C ATOM 1667 O LYS A 105 12.182 -1.117 6.591 1.00 0.00 O ATOM 1668 CB LYS A 105 10.796 0.938 7.959 1.00 0.00 C ATOM 1669 CG LYS A 105 10.040 2.248 8.176 1.00 0.00 C ATOM 1670 CD LYS A 105 8.852 2.384 7.245 1.00 0.00 C ATOM 1671 CE LYS A 105 9.285 2.812 5.860 1.00 0.00 C ATOM 1672 NZ LYS A 105 8.294 2.437 4.815 1.00 0.00 N ATOM 0 H LYS A 105 11.957 2.750 6.246 1.00 0.00 H new ATOM 0 HA LYS A 105 12.938 0.921 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.262 0.348 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.779 0.369 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.698 2.301 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 105 10.718 3.087 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.323 1.433 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.151 3.113 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.433 3.892 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.247 2.356 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.699 2.612 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.056 1.429 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.433 3.008 4.932 1.00 0.00 H new ATOM 1686 N ASN A 106 13.226 0.434 5.329 1.00 0.00 N ATOM 1687 CA ASN A 106 13.535 -0.508 4.244 1.00 0.00 C ATOM 1688 C ASN A 106 12.237 -1.154 3.752 1.00 0.00 C ATOM 1689 O ASN A 106 11.816 -2.202 4.245 1.00 0.00 O ATOM 1690 CB ASN A 106 14.539 -1.558 4.720 1.00 0.00 C ATOM 1691 CG ASN A 106 14.993 -2.487 3.615 1.00 0.00 C ATOM 1692 OD1 ASN A 106 14.499 -3.605 3.487 1.00 0.00 O ATOM 1693 ND2 ASN A 106 15.945 -2.028 2.813 1.00 0.00 N ATOM 0 H ASN A 106 13.556 1.386 5.170 1.00 0.00 H new ATOM 0 HA ASN A 106 13.993 0.026 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.408 -1.055 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.089 -2.146 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.296 -2.610 2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.326 -1.093 2.957 1.00 0.00 H new ATOM 1700 N VAL A 107 11.586 -0.467 2.820 1.00 0.00 N ATOM 1701 CA VAL A 107 10.292 -0.882 2.278 1.00 0.00 C ATOM 1702 C VAL A 107 10.365 -1.707 0.999 1.00 0.00 C ATOM 1703 O VAL A 107 11.226 -1.503 0.143 1.00 0.00 O ATOM 1704 CB VAL A 107 9.426 0.345 1.979 1.00 0.00 C ATOM 1705 CG1 VAL A 107 9.822 0.944 0.634 1.00 0.00 C ATOM 1706 CG2 VAL A 107 7.947 -0.023 2.005 1.00 0.00 C ATOM 0 H VAL A 107 11.941 0.399 2.415 1.00 0.00 H new ATOM 0 HA VAL A 107 9.864 -1.517 3.054 1.00 0.00 H new ATOM 0 HB VAL A 107 9.593 1.095 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.202 1.816 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.870 1.242 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.677 0.202 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.348 0.862 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.749 -0.787 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.685 -0.408 2.991 1.00 0.00 H new ATOM 1716 N ARG A 108 9.381 -2.585 0.866 1.00 0.00 N ATOM 1717 CA ARG A 108 9.214 -3.407 -0.312 1.00 0.00 C ATOM 1718 C ARG A 108 7.844 -3.091 -0.889 1.00 0.00 C ATOM 1719 O ARG A 108 6.834 -3.658 -0.469 1.00 0.00 O ATOM 1720 CB ARG A 108 9.343 -4.899 0.015 1.00 0.00 C ATOM 1721 CG ARG A 108 10.253 -5.656 -0.939 1.00 0.00 C ATOM 1722 CD ARG A 108 11.670 -5.759 -0.400 1.00 0.00 C ATOM 1723 NE ARG A 108 11.734 -6.539 0.835 1.00 0.00 N ATOM 1724 CZ ARG A 108 12.658 -6.365 1.781 1.00 0.00 C ATOM 1725 NH1 ARG A 108 13.616 -5.453 1.632 1.00 0.00 N ATOM 1726 NH2 ARG A 108 12.627 -7.109 2.879 1.00 0.00 N ATOM 0 H ARG A 108 8.673 -2.744 1.582 1.00 0.00 H new ATOM 0 HA ARG A 108 9.998 -3.187 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.724 -5.008 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.352 -5.353 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 108 9.854 -6.656 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.267 -5.152 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.311 -6.219 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.061 -4.758 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 108 11.028 -7.261 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.648 -4.880 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.318 -5.327 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.898 -7.812 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.332 -6.978 3.604 1.00 0.00 H new ATOM 1740 N PHE A 109 7.811 -2.144 -1.822 1.00 0.00 N ATOM 1741 CA PHE A 109 6.556 -1.713 -2.414 1.00 0.00 C ATOM 1742 C PHE A 109 6.089 -2.684 -3.489 1.00 0.00 C ATOM 1743 O PHE A 109 6.902 -3.253 -4.221 1.00 0.00 O ATOM 1744 CB PHE A 109 6.699 -0.323 -3.023 1.00 0.00 C ATOM 1745 CG PHE A 109 5.452 0.502 -2.907 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.379 0.285 -3.755 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.357 1.494 -1.951 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.233 1.044 -3.652 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.215 2.261 -1.841 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.150 2.036 -2.693 1.00 0.00 C ATOM 0 H PHE A 109 8.637 -1.664 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 109 5.813 -1.687 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.520 0.199 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.967 -0.420 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.441 -0.488 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.186 1.672 -1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.402 0.864 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.154 3.035 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.255 2.634 -2.610 1.00 0.00 H new ATOM 1760 N LEU A 110 4.775 -2.875 -3.576 1.00 0.00 N ATOM 1761 CA LEU A 110 4.206 -3.784 -4.557 1.00 0.00 C ATOM 1762 C LEU A 110 2.988 -3.184 -5.255 1.00 0.00 C ATOM 1763 O LEU A 110 2.035 -2.739 -4.615 1.00 0.00 O ATOM 1764 CB LEU A 110 3.853 -5.119 -3.889 1.00 0.00 C ATOM 1765 CG LEU A 110 2.957 -6.071 -4.695 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.495 -5.674 -4.572 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.387 -6.122 -6.157 1.00 0.00 C ATOM 0 H LEU A 110 4.089 -2.412 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 110 4.957 -3.959 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.782 -5.640 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.359 -4.906 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 110 3.071 -7.072 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.881 -6.363 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.194 -5.713 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.360 -4.661 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.736 -6.803 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.317 -5.125 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.417 -6.474 -6.221 1.00 0.00 H new ATOM 1779 N ALA A 111 3.038 -3.213 -6.581 1.00 0.00 N ATOM 1780 CA ALA A 111 1.961 -2.724 -7.434 1.00 0.00 C ATOM 1781 C ALA A 111 1.546 -3.856 -8.366 1.00 0.00 C ATOM 1782 O ALA A 111 2.219 -4.133 -9.358 1.00 0.00 O ATOM 1783 CB ALA A 111 2.413 -1.492 -8.205 1.00 0.00 C ATOM 0 H ALA A 111 3.835 -3.580 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 111 1.103 -2.422 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.598 -1.139 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.694 -0.707 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.271 -1.747 -8.827 1.00 0.00 H new ATOM 1789 N ILE A 112 0.484 -4.558 -7.994 1.00 0.00 N ATOM 1790 CA ILE A 112 0.031 -5.732 -8.753 1.00 0.00 C ATOM 1791 C ILE A 112 -0.401 -5.452 -10.208 1.00 0.00 C ATOM 1792 O ILE A 112 -0.143 -6.277 -11.085 1.00 0.00 O ATOM 1793 CB ILE A 112 -1.104 -6.465 -8.002 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.540 -7.151 -6.757 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.790 -7.483 -8.902 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.443 -7.070 -5.548 1.00 0.00 C ATOM 0 H ILE A 112 -0.083 -4.341 -7.174 1.00 0.00 H new ATOM 0 HA ILE A 112 0.915 -6.366 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.850 -5.729 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.351 -8.200 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.421 -6.700 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.584 -7.983 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.217 -6.975 -9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.062 -8.221 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.972 -7.580 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.613 -6.025 -5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.397 -7.547 -5.774 1.00 0.00 H new ATOM 1808 N ASN A 113 -1.084 -4.336 -10.469 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.564 -4.041 -11.831 1.00 0.00 C ATOM 1810 C ASN A 113 -0.577 -3.213 -12.670 1.00 0.00 C ATOM 1811 O ASN A 113 -1.002 -2.380 -13.472 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.915 -3.320 -11.768 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.808 -3.663 -12.944 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -4.550 -4.644 -12.911 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -3.739 -2.853 -13.995 1.00 0.00 N ATOM 0 H ASN A 113 -1.317 -3.629 -9.772 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.667 -5.004 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.422 -3.585 -10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.748 -2.243 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -4.315 -3.034 -14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.110 -2.050 -13.980 1.00 0.00 H new ATOM 1822 N ASN A 114 0.731 -3.448 -12.504 1.00 0.00 N ATOM 1823 CA ASN A 114 1.750 -2.714 -13.273 1.00 0.00 C ATOM 1824 C ASN A 114 3.157 -2.959 -12.726 1.00 0.00 C ATOM 1825 O ASN A 114 3.332 -3.616 -11.701 1.00 0.00 O ATOM 1826 CB ASN A 114 1.462 -1.208 -13.263 1.00 0.00 C ATOM 1827 CG ASN A 114 1.179 -0.654 -14.649 1.00 0.00 C ATOM 1828 OD1 ASN A 114 2.032 -0.704 -15.535 1.00 0.00 O ATOM 1829 ND2 ASN A 114 -0.021 -0.118 -14.843 1.00 0.00 N ATOM 0 H ASN A 114 1.109 -4.134 -11.850 1.00 0.00 H new ATOM 0 HA ASN A 114 1.704 -3.087 -14.296 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.607 -1.010 -12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.315 -0.682 -12.834 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.264 0.272 -15.754 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.699 -0.097 -14.081 1.00 0.00 H new ATOM 1836 N SER A 115 4.155 -2.405 -13.415 1.00 0.00 N ATOM 1837 CA SER A 115 5.549 -2.539 -13.002 1.00 0.00 C ATOM 1838 C SER A 115 5.910 -1.422 -12.022 1.00 0.00 C ATOM 1839 O SER A 115 6.092 -0.269 -12.418 1.00 0.00 O ATOM 1840 CB SER A 115 6.474 -2.509 -14.222 1.00 0.00 C ATOM 1841 OG SER A 115 6.048 -3.431 -15.210 1.00 0.00 O ATOM 0 H SER A 115 4.021 -1.857 -14.265 1.00 0.00 H new ATOM 0 HA SER A 115 5.680 -3.499 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.493 -1.504 -14.643 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.493 -2.745 -13.915 1.00 0.00 H new ATOM 0 HG SER A 115 6.655 -3.390 -15.979 1.00 0.00 H new ATOM 1847 N ILE A 116 5.978 -1.774 -10.737 1.00 0.00 N ATOM 1848 CA ILE A 116 6.280 -0.813 -9.673 1.00 0.00 C ATOM 1849 C ILE A 116 7.629 -0.112 -9.869 1.00 0.00 C ATOM 1850 O ILE A 116 7.735 1.097 -9.662 1.00 0.00 O ATOM 1851 CB ILE A 116 6.233 -1.492 -8.277 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.502 -0.595 -7.271 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.632 -1.834 -7.775 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.286 0.634 -6.857 1.00 0.00 C ATOM 0 H ILE A 116 5.827 -2.727 -10.405 1.00 0.00 H new ATOM 0 HA ILE A 116 5.505 -0.048 -9.727 1.00 0.00 H new ATOM 0 HB ILE A 116 5.682 -2.427 -8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.553 -0.279 -7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.267 -1.180 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.562 -2.308 -6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.113 -2.517 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.223 -0.922 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.701 1.216 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.224 0.328 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.498 1.243 -7.736 1.00 0.00 H new ATOM 1866 N ASP A 117 8.656 -0.871 -10.249 1.00 0.00 N ATOM 1867 CA ASP A 117 9.993 -0.309 -10.447 1.00 0.00 C ATOM 1868 C ASP A 117 10.957 -1.359 -11.007 1.00 0.00 C ATOM 1869 O ASP A 117 11.818 -1.044 -11.828 1.00 0.00 O ATOM 1870 CB ASP A 117 10.539 0.225 -9.119 1.00 0.00 C ATOM 1871 CG ASP A 117 11.051 1.649 -9.227 1.00 0.00 C ATOM 1872 OD1 ASP A 117 11.700 1.975 -10.244 1.00 0.00 O ATOM 1873 OD2 ASP A 117 10.807 2.436 -8.290 1.00 0.00 O ATOM 0 H ASP A 117 8.589 -1.873 -10.426 1.00 0.00 H new ATOM 0 HA ASP A 117 9.911 0.506 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.754 0.182 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.346 -0.422 -8.776 1.00 0.00 H new ATOM 1878 N SER A 118 10.807 -2.604 -10.538 1.00 0.00 N ATOM 1879 CA SER A 118 11.659 -3.718 -10.958 1.00 0.00 C ATOM 1880 C SER A 118 11.865 -3.754 -12.474 1.00 0.00 C ATOM 1881 O SER A 118 10.947 -3.471 -13.245 1.00 0.00 O ATOM 1882 CB SER A 118 11.063 -5.045 -10.482 1.00 0.00 C ATOM 1883 OG SER A 118 12.054 -5.865 -9.887 1.00 0.00 O ATOM 0 H SER A 118 10.093 -2.865 -9.858 1.00 0.00 H new ATOM 0 HA SER A 118 12.636 -3.567 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.266 -4.852 -9.763 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.612 -5.568 -11.325 1.00 0.00 H new ATOM 0 HG SER A 118 11.648 -6.706 -9.590 1.00 0.00 H new ATOM 1889 N ASN A 119 13.084 -4.108 -12.887 1.00 0.00 N ATOM 1890 CA ASN A 119 13.434 -4.185 -14.304 1.00 0.00 C ATOM 1891 C ASN A 119 13.479 -5.631 -14.783 1.00 0.00 C ATOM 1892 O ASN A 119 12.758 -6.015 -15.705 1.00 0.00 O ATOM 1893 CB ASN A 119 14.789 -3.524 -14.552 1.00 0.00 C ATOM 1894 CG ASN A 119 14.672 -2.271 -15.380 1.00 0.00 C ATOM 1895 OD1 ASN A 119 15.146 -2.211 -16.514 1.00 0.00 O ATOM 1896 ND2 ASN A 119 14.038 -1.257 -14.810 1.00 0.00 N ATOM 0 H ASN A 119 13.848 -4.347 -12.255 1.00 0.00 H new ATOM 0 HA ASN A 119 12.663 -3.657 -14.865 1.00 0.00 H new ATOM 0 HB2 ASN A 119 15.253 -3.283 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 119 15.448 -4.230 -15.057 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.926 -0.378 -15.314 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.662 -1.356 -13.867 1.00 0.00 H new ATOM 1903 N ASN A 120 14.342 -6.421 -14.153 1.00 0.00 N ATOM 1904 CA ASN A 120 14.503 -7.827 -14.507 1.00 0.00 C ATOM 1905 C ASN A 120 13.333 -8.661 -13.982 1.00 0.00 C ATOM 1906 O ASN A 120 13.437 -9.199 -12.858 1.00 0.00 O ATOM 1907 CB ASN A 120 15.834 -8.361 -13.966 1.00 0.00 C ATOM 1908 CG ASN A 120 17.002 -8.074 -14.893 1.00 0.00 C ATOM 1909 OD1 ASN A 120 17.004 -7.082 -15.623 1.00 0.00 O ATOM 1910 ND2 ASN A 120 18.008 -8.943 -14.867 1.00 0.00 N ATOM 1911 OXT ASN A 120 12.317 -8.762 -14.700 1.00 0.00 O ATOM 0 H ASN A 120 14.944 -6.109 -13.391 1.00 0.00 H new ATOM 0 HA ASN A 120 14.511 -7.908 -15.594 1.00 0.00 H new ATOM 0 HB2 ASN A 120 16.031 -7.914 -12.992 1.00 0.00 H new ATOM 0 HB3 ASN A 120 15.753 -9.437 -13.813 1.00 0.00 H new ATOM 0 HD21 ASN A 120 18.821 -8.800 -15.467 1.00 0.00 H new ATOM 0 HD22 ASN A 120 17.967 -9.752 -14.247 1.00 0.00 H new TER 1918 ASN A 120