USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 180:sc= -0.374 USER MOD Set 1.2: A 105 LYS NZ :NH3+ 173:sc= 1.99 (180deg=1.97) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.549 K(o=1.5,f=-0.64) USER MOD Set 2.2: A 84 SER OG : rot 144:sc= 0.931 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= -0.0811 USER MOD Set 3.2: A 32 ASN : amide:sc= 0 X(o=-0.081,f=0.072) USER MOD Single : A 1 ALA N :NH3+ 158:sc= 0.265 (180deg=0.11) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= -0.0702 (180deg=-1.71) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc=-0.000648 (180deg=-0.0764) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -8.6! C(o=-8.6!,f=-20!) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.03! C(o=-4.9!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0457 (180deg=-0.0457) USER MOD Single : A 28 SER OG : rot 180:sc= -0.123 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 32:sc= 0.366 USER MOD Single : A 51 THR OG1 : rot -50:sc= -1.16! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -8:sc= 0.581 USER MOD Single : A 59 MET CE :methyl -179:sc= -1.79 (180deg=-1.88) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.722 K(o=0.72,f=-7.2!) USER MOD Single : A 90 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.16) USER MOD Single : A 91 THR OG1 : rot 104:sc= 0.382 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.22) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.124 -13.096 3.490 1.00 0.00 N ATOM 2 CA ALA A 1 6.826 -11.830 2.780 1.00 0.00 C ATOM 3 C ALA A 1 7.378 -10.646 3.570 1.00 0.00 C ATOM 4 O ALA A 1 8.574 -10.592 3.857 1.00 0.00 O ATOM 5 CB ALA A 1 5.329 -11.686 2.545 1.00 0.00 C ATOM 0 H1 ALA A 1 6.460 -13.833 3.179 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.097 -13.394 3.275 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.025 -12.951 4.515 1.00 0.00 H new ATOM 0 HA ALA A 1 7.313 -11.848 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.131 -10.750 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.974 -12.521 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.809 -11.684 3.503 1.00 0.00 H new ATOM 13 N PHE A 2 6.510 -9.715 3.958 1.00 0.00 N ATOM 14 CA PHE A 2 6.940 -8.590 4.777 1.00 0.00 C ATOM 15 C PHE A 2 7.197 -9.040 6.205 1.00 0.00 C ATOM 16 O PHE A 2 8.352 -9.188 6.601 1.00 0.00 O ATOM 17 CB PHE A 2 5.899 -7.473 4.782 1.00 0.00 C ATOM 18 CG PHE A 2 5.940 -6.591 3.575 1.00 0.00 C ATOM 19 CD1 PHE A 2 5.353 -6.987 2.384 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.546 -5.350 3.643 1.00 0.00 C ATOM 21 CE1 PHE A 2 5.376 -6.161 1.282 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.570 -4.518 2.545 1.00 0.00 C ATOM 23 CZ PHE A 2 5.985 -4.923 1.363 1.00 0.00 C ATOM 0 H PHE A 2 5.518 -9.718 3.721 1.00 0.00 H new ATOM 0 HA PHE A 2 7.862 -8.205 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.907 -7.917 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.045 -6.860 5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.873 -7.952 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.005 -5.030 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.919 -6.480 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.046 -3.551 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.003 -4.273 0.501 1.00 0.00 H new ATOM 32 N ASP A 3 6.103 -9.242 6.964 1.00 0.00 N ATOM 33 CA ASP A 3 6.159 -9.640 8.385 1.00 0.00 C ATOM 34 C ASP A 3 7.277 -8.902 9.115 1.00 0.00 C ATOM 35 O ASP A 3 8.106 -9.489 9.813 1.00 0.00 O ATOM 36 CB ASP A 3 6.257 -11.171 8.556 1.00 0.00 C ATOM 37 CG ASP A 3 7.194 -11.857 7.575 1.00 0.00 C ATOM 38 OD1 ASP A 3 8.408 -11.955 7.855 1.00 0.00 O ATOM 39 OD2 ASP A 3 6.715 -12.295 6.505 1.00 0.00 O ATOM 0 H ASP A 3 5.153 -9.134 6.609 1.00 0.00 H new ATOM 0 HA ASP A 3 5.218 -9.344 8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.590 -11.390 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.261 -11.600 8.448 1.00 0.00 H new ATOM 43 N GLY A 4 7.320 -7.605 8.858 1.00 0.00 N ATOM 44 CA GLY A 4 8.382 -6.764 9.345 1.00 0.00 C ATOM 45 C GLY A 4 8.021 -5.306 9.208 1.00 0.00 C ATOM 46 O GLY A 4 7.005 -4.973 8.590 1.00 0.00 O ATOM 0 H GLY A 4 6.617 -7.113 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.584 -6.996 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.297 -6.970 8.790 1.00 0.00 H new ATOM 50 N THR A 5 8.805 -4.439 9.817 1.00 0.00 N ATOM 51 CA THR A 5 8.528 -3.018 9.772 1.00 0.00 C ATOM 52 C THR A 5 9.409 -2.347 8.724 1.00 0.00 C ATOM 53 O THR A 5 10.615 -2.598 8.658 1.00 0.00 O ATOM 54 CB THR A 5 8.774 -2.370 11.149 1.00 0.00 C ATOM 55 OG1 THR A 5 10.110 -2.640 11.596 1.00 0.00 O ATOM 56 CG2 THR A 5 7.792 -2.908 12.172 1.00 0.00 C ATOM 0 H THR A 5 9.638 -4.693 10.348 1.00 0.00 H new ATOM 0 HA THR A 5 7.480 -2.882 9.505 1.00 0.00 H new ATOM 0 HB THR A 5 8.635 -1.294 11.045 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.253 -2.221 12.470 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.980 -2.440 13.138 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.774 -2.684 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.915 -3.987 12.262 1.00 0.00 H new ATOM 64 N TRP A 6 8.791 -1.567 7.843 1.00 0.00 N ATOM 65 CA TRP A 6 9.513 -0.913 6.749 1.00 0.00 C ATOM 66 C TRP A 6 9.048 0.532 6.607 1.00 0.00 C ATOM 67 O TRP A 6 7.995 0.790 6.031 1.00 0.00 O ATOM 68 CB TRP A 6 9.282 -1.647 5.411 1.00 0.00 C ATOM 69 CG TRP A 6 9.837 -3.046 5.340 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.519 -4.104 6.144 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.793 -3.543 4.393 1.00 0.00 C ATOM 72 NE1 TRP A 6 10.236 -5.213 5.775 1.00 0.00 N ATOM 73 CE2 TRP A 6 11.020 -4.897 4.700 1.00 0.00 C ATOM 74 CE3 TRP A 6 11.486 -2.973 3.322 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.904 -5.690 3.974 1.00 0.00 C ATOM 76 CZ3 TRP A 6 12.363 -3.764 2.599 1.00 0.00 C ATOM 77 CH2 TRP A 6 12.564 -5.109 2.930 1.00 0.00 C ATOM 0 H TRP A 6 7.790 -1.370 7.863 1.00 0.00 H new ATOM 0 HA TRP A 6 10.576 -0.942 6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.210 -1.689 5.219 1.00 0.00 H new ATOM 0 HB3 TRP A 6 9.727 -1.056 4.610 1.00 0.00 H new ATOM 0 HD1 TRP A 6 8.805 -4.071 6.954 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.192 -6.125 6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.340 -1.935 3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.062 -6.728 4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 12.901 -3.336 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.256 -5.699 2.347 1.00 0.00 H new ATOM 87 N LYS A 7 9.854 1.474 7.080 1.00 0.00 N ATOM 88 CA LYS A 7 9.501 2.881 6.993 1.00 0.00 C ATOM 89 C LYS A 7 10.700 3.777 7.282 1.00 0.00 C ATOM 90 O LYS A 7 11.744 3.309 7.738 1.00 0.00 O ATOM 91 CB LYS A 7 8.360 3.201 7.958 1.00 0.00 C ATOM 92 CG LYS A 7 7.538 4.412 7.555 1.00 0.00 C ATOM 93 CD LYS A 7 6.724 4.152 6.298 1.00 0.00 C ATOM 94 CE LYS A 7 5.764 5.300 6.030 1.00 0.00 C ATOM 95 NZ LYS A 7 4.757 4.965 4.992 1.00 0.00 N ATOM 0 H LYS A 7 10.752 1.288 7.526 1.00 0.00 H new ATOM 0 HA LYS A 7 9.173 3.079 5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.703 2.334 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.774 3.369 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.869 4.684 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.200 5.262 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.392 4.024 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.165 3.222 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.253 5.566 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.329 6.177 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.518 5.821 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.147 4.247 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.900 4.593 5.448 1.00 0.00 H new ATOM 105 N VAL A 8 10.542 5.062 6.985 1.00 0.00 N ATOM 106 CA VAL A 8 11.591 6.054 7.181 1.00 0.00 C ATOM 107 C VAL A 8 11.317 6.839 8.465 1.00 0.00 C ATOM 108 O VAL A 8 10.183 6.844 8.949 1.00 0.00 O ATOM 109 CB VAL A 8 11.651 7.039 5.987 1.00 0.00 C ATOM 110 CG1 VAL A 8 12.892 7.915 6.050 1.00 0.00 C ATOM 111 CG2 VAL A 8 11.600 6.287 4.666 1.00 0.00 C ATOM 0 H VAL A 8 9.679 5.446 6.600 1.00 0.00 H new ATOM 0 HA VAL A 8 12.546 5.534 7.254 1.00 0.00 H new ATOM 0 HB VAL A 8 10.778 7.689 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.902 8.594 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.883 8.493 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.782 7.287 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.643 6.998 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.448 5.605 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.672 5.718 4.607 1.00 0.00 H new ATOM 121 N GLY A 9 12.372 7.403 9.058 1.00 0.00 N ATOM 122 CA GLY A 9 12.261 8.104 10.332 1.00 0.00 C ATOM 123 C GLY A 9 11.109 9.093 10.381 1.00 0.00 C ATOM 124 O GLY A 9 10.778 9.732 9.377 1.00 0.00 O ATOM 0 H GLY A 9 13.316 7.386 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.136 7.373 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.193 8.634 10.529 1.00 0.00 H new ATOM 128 N GLY A 10 10.434 9.135 11.522 1.00 0.00 N ATOM 129 CA GLY A 10 9.255 9.962 11.663 1.00 0.00 C ATOM 130 C GLY A 10 7.988 9.171 11.414 1.00 0.00 C ATOM 131 O GLY A 10 6.969 9.378 12.076 1.00 0.00 O ATOM 0 H GLY A 10 10.686 8.606 12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.227 10.389 12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.308 10.795 10.963 1.00 0.00 H new ATOM 135 N LEU A 11 8.059 8.248 10.472 1.00 0.00 N ATOM 136 CA LEU A 11 6.928 7.403 10.141 1.00 0.00 C ATOM 137 C LEU A 11 7.222 5.968 10.566 1.00 0.00 C ATOM 138 O LEU A 11 8.374 5.608 10.799 1.00 0.00 O ATOM 139 CB LEU A 11 6.646 7.456 8.634 1.00 0.00 C ATOM 140 CG LEU A 11 6.740 8.843 7.983 1.00 0.00 C ATOM 141 CD1 LEU A 11 6.410 8.757 6.503 1.00 0.00 C ATOM 142 CD2 LEU A 11 5.819 9.839 8.671 1.00 0.00 C ATOM 0 H LEU A 11 8.896 8.064 9.919 1.00 0.00 H new ATOM 0 HA LEU A 11 6.047 7.764 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.347 6.791 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.646 7.060 8.457 1.00 0.00 H new ATOM 0 HG LEU A 11 7.765 9.197 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.481 9.749 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.115 8.086 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.397 8.374 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.908 10.812 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.788 9.491 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.099 9.929 9.721 1.00 0.00 H new ATOM 153 N LYS A 12 6.190 5.143 10.611 1.00 0.00 N ATOM 154 CA LYS A 12 6.352 3.731 10.931 1.00 0.00 C ATOM 155 C LYS A 12 5.392 2.902 10.095 1.00 0.00 C ATOM 156 O LYS A 12 4.352 3.403 9.665 1.00 0.00 O ATOM 157 CB LYS A 12 6.144 3.453 12.428 1.00 0.00 C ATOM 158 CG LYS A 12 4.826 3.963 12.996 1.00 0.00 C ATOM 159 CD LYS A 12 4.904 5.429 13.396 1.00 0.00 C ATOM 160 CE LYS A 12 5.886 5.653 14.536 1.00 0.00 C ATOM 161 NZ LYS A 12 5.408 5.052 15.809 1.00 0.00 N ATOM 0 H LYS A 12 5.227 5.426 10.430 1.00 0.00 H new ATOM 0 HA LYS A 12 7.377 3.448 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.203 2.377 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.963 3.908 12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.037 3.831 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.550 3.365 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.205 6.025 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.915 5.777 13.695 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.852 5.223 14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.041 6.723 14.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.025 5.355 16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.434 5.365 15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.430 4.015 15.733 1.00 0.00 H new ATOM 171 N LEU A 13 5.800 1.686 9.769 1.00 0.00 N ATOM 172 CA LEU A 13 5.024 0.831 8.885 1.00 0.00 C ATOM 173 C LEU A 13 5.274 -0.627 9.230 1.00 0.00 C ATOM 174 O LEU A 13 6.409 -1.048 9.411 1.00 0.00 O ATOM 175 CB LEU A 13 5.403 1.116 7.423 1.00 0.00 C ATOM 176 CG LEU A 13 4.365 0.745 6.349 1.00 0.00 C ATOM 177 CD1 LEU A 13 4.758 1.340 5.004 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.221 -0.765 6.220 1.00 0.00 C ATOM 0 H LEU A 13 6.668 1.268 10.105 1.00 0.00 H new ATOM 0 HA LEU A 13 3.962 1.041 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.621 2.180 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.326 0.581 7.201 1.00 0.00 H new ATOM 0 HG LEU A 13 3.405 1.157 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.014 1.069 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.810 2.426 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.732 0.952 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.481 -0.996 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.181 -1.199 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.898 -1.183 7.174 1.00 0.00 H new ATOM 189 N THR A 14 4.200 -1.382 9.352 1.00 0.00 N ATOM 190 CA THR A 14 4.276 -2.785 9.700 1.00 0.00 C ATOM 191 C THR A 14 3.225 -3.571 8.928 1.00 0.00 C ATOM 192 O THR A 14 2.081 -3.136 8.811 1.00 0.00 O ATOM 193 CB THR A 14 4.043 -2.991 11.208 1.00 0.00 C ATOM 194 OG1 THR A 14 4.869 -2.096 11.967 1.00 0.00 O ATOM 195 CG2 THR A 14 4.335 -4.430 11.615 1.00 0.00 C ATOM 0 H THR A 14 3.250 -1.039 9.212 1.00 0.00 H new ATOM 0 HA THR A 14 5.273 -3.141 9.441 1.00 0.00 H new ATOM 0 HB THR A 14 2.995 -2.778 11.417 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.710 -2.236 12.924 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.162 -4.548 12.685 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.678 -5.104 11.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.374 -4.669 11.387 1.00 0.00 H new ATOM 203 N ILE A 15 3.621 -4.718 8.405 1.00 0.00 N ATOM 204 CA ILE A 15 2.716 -5.597 7.673 1.00 0.00 C ATOM 205 C ILE A 15 2.889 -7.029 8.173 1.00 0.00 C ATOM 206 O ILE A 15 4.002 -7.442 8.493 1.00 0.00 O ATOM 207 CB ILE A 15 2.973 -5.548 6.143 1.00 0.00 C ATOM 208 CG1 ILE A 15 2.962 -4.102 5.641 1.00 0.00 C ATOM 209 CG2 ILE A 15 1.925 -6.366 5.397 1.00 0.00 C ATOM 210 CD1 ILE A 15 3.256 -3.964 4.161 1.00 0.00 C ATOM 0 H ILE A 15 4.576 -5.069 8.474 1.00 0.00 H new ATOM 0 HA ILE A 15 1.697 -5.253 7.850 1.00 0.00 H new ATOM 0 HB ILE A 15 3.956 -5.978 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.987 -3.662 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.698 -3.527 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.122 -6.319 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.969 -7.403 5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.934 -5.961 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.230 -2.911 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.244 -4.372 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.506 -4.510 3.589 1.00 0.00 H new ATOM 221 N THR A 16 1.789 -7.755 8.316 1.00 0.00 N ATOM 222 CA THR A 16 1.834 -9.123 8.818 1.00 0.00 C ATOM 223 C THR A 16 0.947 -10.030 7.962 1.00 0.00 C ATOM 224 O THR A 16 -0.136 -9.621 7.541 1.00 0.00 O ATOM 225 CB THR A 16 1.390 -9.178 10.290 1.00 0.00 C ATOM 226 OG1 THR A 16 2.081 -8.165 11.037 1.00 0.00 O ATOM 227 CG2 THR A 16 1.677 -10.543 10.894 1.00 0.00 C ATOM 0 H THR A 16 0.852 -7.419 8.091 1.00 0.00 H new ATOM 0 HA THR A 16 2.863 -9.478 8.757 1.00 0.00 H new ATOM 0 HB THR A 16 0.315 -9.002 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.797 -8.199 11.974 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.354 -10.556 11.935 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.136 -11.308 10.337 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.747 -10.745 10.844 1.00 0.00 H new ATOM 235 N GLN A 17 1.514 -11.164 7.537 1.00 0.00 N ATOM 236 CA GLN A 17 0.890 -12.052 6.546 1.00 0.00 C ATOM 237 C GLN A 17 1.575 -13.426 6.585 1.00 0.00 C ATOM 238 O GLN A 17 2.648 -13.571 7.168 1.00 0.00 O ATOM 239 CB GLN A 17 1.029 -11.518 5.112 1.00 0.00 C ATOM 240 CG GLN A 17 1.591 -10.122 4.996 1.00 0.00 C ATOM 241 CD GLN A 17 3.063 -10.041 5.377 1.00 0.00 C ATOM 242 OE1 GLN A 17 3.585 -8.967 5.634 1.00 0.00 O ATOM 243 NE2 GLN A 17 3.750 -11.175 5.393 1.00 0.00 N ATOM 0 H GLN A 17 2.420 -11.494 7.870 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.167 -12.115 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.669 -12.198 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.048 -11.538 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.466 -9.770 3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.018 -9.451 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.285 -12.056 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.743 -11.166 5.625 1.00 0.00 H new ATOM 250 N GLU A 18 0.978 -14.404 5.913 1.00 0.00 N ATOM 251 CA GLU A 18 1.511 -15.762 5.820 1.00 0.00 C ATOM 252 C GLU A 18 0.778 -16.535 4.711 1.00 0.00 C ATOM 253 O GLU A 18 -0.017 -17.429 5.005 1.00 0.00 O ATOM 254 CB GLU A 18 1.334 -16.470 7.167 1.00 0.00 C ATOM 255 CG GLU A 18 -0.047 -16.255 7.784 1.00 0.00 C ATOM 256 CD GLU A 18 -0.215 -16.945 9.118 1.00 0.00 C ATOM 257 OE1 GLU A 18 0.713 -17.662 9.541 1.00 0.00 O ATOM 258 OE2 GLU A 18 -1.283 -16.786 9.744 1.00 0.00 O ATOM 0 H GLU A 18 0.099 -14.276 5.411 1.00 0.00 H new ATOM 0 HA GLU A 18 2.572 -15.722 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.502 -17.539 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.094 -16.112 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.219 -15.186 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.807 -16.621 7.094 1.00 0.00 H new ATOM 263 N GLY A 19 0.854 -16.022 3.472 1.00 0.00 N ATOM 264 CA GLY A 19 -0.060 -16.492 2.430 1.00 0.00 C ATOM 265 C GLY A 19 -1.440 -16.000 2.790 1.00 0.00 C ATOM 266 O GLY A 19 -2.161 -16.691 3.506 1.00 0.00 O ATOM 0 H GLY A 19 1.517 -15.305 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.241 -16.112 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.044 -17.580 2.367 1.00 0.00 H new ATOM 270 N ASN A 20 -1.518 -14.682 2.794 1.00 0.00 N ATOM 271 CA ASN A 20 -2.403 -14.045 3.743 1.00 0.00 C ATOM 272 C ASN A 20 -3.019 -12.748 3.316 1.00 0.00 C ATOM 273 O ASN A 20 -2.948 -12.303 2.182 1.00 0.00 O ATOM 274 CB ASN A 20 -1.706 -13.778 5.047 1.00 0.00 C ATOM 275 CG ASN A 20 -2.526 -14.156 6.271 1.00 0.00 C ATOM 276 OD1 ASN A 20 -3.674 -14.777 6.063 1.00 0.00 O flip ATOM 277 ND2 ASN A 20 -2.119 -13.891 7.398 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.001 -14.055 2.177 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.208 -14.775 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.767 -14.331 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.454 -12.719 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.227 -13.410 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.672 -14.151 8.214 1.00 0.00 H new ATOM 283 N LYS A 21 -3.634 -12.173 4.316 1.00 0.00 N ATOM 284 CA LYS A 21 -4.252 -10.900 4.253 1.00 0.00 C ATOM 285 C LYS A 21 -3.252 -9.913 4.796 1.00 0.00 C ATOM 286 O LYS A 21 -2.612 -10.165 5.819 1.00 0.00 O ATOM 287 CB LYS A 21 -5.475 -10.950 5.148 1.00 0.00 C ATOM 288 CG LYS A 21 -6.341 -9.703 5.122 1.00 0.00 C ATOM 289 CD LYS A 21 -7.728 -9.983 5.679 1.00 0.00 C ATOM 290 CE LYS A 21 -7.666 -10.544 7.090 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.013 -10.912 7.596 1.00 0.00 N ATOM 0 H LYS A 21 -3.714 -12.611 5.234 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.550 -10.619 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.086 -11.804 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.149 -11.127 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.865 -8.915 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.425 -9.337 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.312 -9.063 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.245 -10.689 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.020 -11.422 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.217 -9.807 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.930 -11.291 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.622 -10.069 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.432 -11.634 6.976 1.00 0.00 H new ATOM 301 N PHE A 22 -2.942 -8.931 3.991 1.00 0.00 N ATOM 302 CA PHE A 22 -1.833 -8.067 4.272 1.00 0.00 C ATOM 303 C PHE A 22 -2.347 -6.767 4.841 1.00 0.00 C ATOM 304 O PHE A 22 -3.142 -6.068 4.218 1.00 0.00 O ATOM 305 CB PHE A 22 -1.005 -7.808 3.002 1.00 0.00 C ATOM 306 CG PHE A 22 -0.295 -9.022 2.451 1.00 0.00 C ATOM 307 CD1 PHE A 22 -0.867 -10.277 2.540 1.00 0.00 C ATOM 308 CD2 PHE A 22 0.949 -8.902 1.856 1.00 0.00 C ATOM 309 CE1 PHE A 22 -0.223 -11.394 2.051 1.00 0.00 C ATOM 310 CE2 PHE A 22 1.605 -10.016 1.362 1.00 0.00 C ATOM 311 CZ PHE A 22 1.018 -11.265 1.460 1.00 0.00 C ATOM 0 H PHE A 22 -3.447 -8.711 3.132 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.182 -8.550 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.664 -7.408 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.264 -7.038 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.837 -10.385 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.412 -7.930 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.688 -12.366 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.575 -9.910 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.529 -12.136 1.076 1.00 0.00 H new ATOM 320 N THR A 23 -1.958 -6.499 6.062 1.00 0.00 N ATOM 321 CA THR A 23 -2.382 -5.307 6.745 1.00 0.00 C ATOM 322 C THR A 23 -1.211 -4.347 6.862 1.00 0.00 C ATOM 323 O THR A 23 -0.125 -4.726 7.295 1.00 0.00 O ATOM 324 CB THR A 23 -2.974 -5.662 8.131 1.00 0.00 C ATOM 325 OG1 THR A 23 -4.404 -5.698 8.052 1.00 0.00 O ATOM 326 CG2 THR A 23 -2.550 -4.675 9.215 1.00 0.00 C ATOM 0 H THR A 23 -1.340 -7.100 6.608 1.00 0.00 H new ATOM 0 HA THR A 23 -3.169 -4.816 6.173 1.00 0.00 H new ATOM 0 HB THR A 23 -2.585 -6.642 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.775 -5.925 8.930 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.992 -4.969 10.167 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.464 -4.676 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.892 -3.674 8.950 1.00 0.00 H new ATOM 334 N VAL A 24 -1.410 -3.141 6.370 1.00 0.00 N ATOM 335 CA VAL A 24 -0.358 -2.153 6.335 1.00 0.00 C ATOM 336 C VAL A 24 -0.574 -1.131 7.432 1.00 0.00 C ATOM 337 O VAL A 24 -1.681 -0.631 7.611 1.00 0.00 O ATOM 338 CB VAL A 24 -0.304 -1.434 4.967 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.798 -0.386 4.944 1.00 0.00 C ATOM 340 CG2 VAL A 24 -0.109 -2.437 3.840 1.00 0.00 C ATOM 0 H VAL A 24 -2.300 -2.822 5.986 1.00 0.00 H new ATOM 0 HA VAL A 24 0.590 -2.669 6.489 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.257 -0.927 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.814 0.104 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.611 0.356 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.760 -0.866 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.074 -1.910 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.826 -2.977 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.939 -3.143 3.834 1.00 0.00 H new ATOM 350 N LYS A 25 0.482 -0.821 8.152 1.00 0.00 N ATOM 351 CA LYS A 25 0.415 0.154 9.218 1.00 0.00 C ATOM 352 C LYS A 25 0.999 1.466 8.732 1.00 0.00 C ATOM 353 O LYS A 25 2.203 1.578 8.536 1.00 0.00 O ATOM 354 CB LYS A 25 1.194 -0.354 10.432 1.00 0.00 C ATOM 355 CG LYS A 25 1.416 0.694 11.506 1.00 0.00 C ATOM 356 CD LYS A 25 2.392 0.197 12.557 1.00 0.00 C ATOM 357 CE LYS A 25 2.756 1.295 13.537 1.00 0.00 C ATOM 358 NZ LYS A 25 3.848 0.880 14.455 1.00 0.00 N ATOM 0 H LYS A 25 1.405 -1.234 8.017 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.624 0.310 9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.658 -1.198 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.162 -0.729 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.798 1.609 11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.465 0.945 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.953 -0.643 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.295 -0.173 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.063 2.185 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.876 1.568 14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.067 1.659 15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.547 0.046 14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.696 0.644 13.901 1.00 0.00 H new ATOM 368 N GLU A 26 0.135 2.424 8.463 1.00 0.00 N ATOM 369 CA GLU A 26 0.564 3.713 7.963 1.00 0.00 C ATOM 370 C GLU A 26 0.463 4.752 9.069 1.00 0.00 C ATOM 371 O GLU A 26 -0.479 4.741 9.865 1.00 0.00 O ATOM 372 CB GLU A 26 -0.281 4.122 6.753 1.00 0.00 C ATOM 373 CG GLU A 26 0.195 5.393 6.065 1.00 0.00 C ATOM 374 CD GLU A 26 1.630 5.294 5.591 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.546 5.293 6.437 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.854 5.198 4.367 1.00 0.00 O ATOM 0 H GLU A 26 -0.874 2.332 8.583 1.00 0.00 H new ATOM 0 HA GLU A 26 1.603 3.645 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.279 3.307 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.313 4.260 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.452 5.605 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.101 6.232 6.754 1.00 0.00 H new ATOM 381 N SER A 27 1.465 5.601 9.155 1.00 0.00 N ATOM 382 CA SER A 27 1.523 6.626 10.178 1.00 0.00 C ATOM 383 C SER A 27 2.308 7.817 9.659 1.00 0.00 C ATOM 384 O SER A 27 3.340 7.649 9.006 1.00 0.00 O ATOM 385 CB SER A 27 2.186 6.082 11.443 1.00 0.00 C ATOM 386 OG SER A 27 1.581 4.870 11.858 1.00 0.00 O ATOM 0 H SER A 27 2.262 5.601 8.519 1.00 0.00 H new ATOM 0 HA SER A 27 0.507 6.937 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.247 5.917 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.112 6.820 12.242 1.00 0.00 H new ATOM 0 HG SER A 27 2.025 4.543 12.668 1.00 0.00 H new ATOM 391 N SER A 28 1.787 9.013 9.883 1.00 0.00 N ATOM 392 CA SER A 28 2.434 10.217 9.395 1.00 0.00 C ATOM 393 C SER A 28 2.092 11.423 10.262 1.00 0.00 C ATOM 394 O SER A 28 0.963 11.921 10.234 1.00 0.00 O ATOM 395 CB SER A 28 2.031 10.483 7.940 1.00 0.00 C ATOM 396 OG SER A 28 2.376 9.387 7.106 1.00 0.00 O ATOM 0 H SER A 28 0.921 9.174 10.398 1.00 0.00 H new ATOM 0 HA SER A 28 3.512 10.061 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.957 10.663 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.525 11.386 7.582 1.00 0.00 H new ATOM 0 HG SER A 28 2.107 9.580 6.184 1.00 0.00 H new ATOM 401 N ASN A 29 3.113 11.921 10.962 1.00 0.00 N ATOM 402 CA ASN A 29 3.034 13.141 11.776 1.00 0.00 C ATOM 403 C ASN A 29 2.101 13.005 12.979 1.00 0.00 C ATOM 404 O ASN A 29 2.536 13.162 14.122 1.00 0.00 O ATOM 405 CB ASN A 29 2.611 14.342 10.920 1.00 0.00 C ATOM 406 CG ASN A 29 3.643 14.684 9.863 1.00 0.00 C ATOM 407 OD1 ASN A 29 4.812 14.910 10.170 1.00 0.00 O ATOM 408 ND2 ASN A 29 3.215 14.741 8.613 1.00 0.00 N ATOM 0 H ASN A 29 4.034 11.483 10.981 1.00 0.00 H new ATOM 0 HA ASN A 29 4.038 13.306 12.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.658 14.125 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.452 15.207 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.863 14.979 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.237 14.547 8.400 1.00 0.00 H new ATOM 414 N PHE A 30 0.821 12.771 12.730 1.00 0.00 N ATOM 415 CA PHE A 30 -0.170 12.709 13.799 1.00 0.00 C ATOM 416 C PHE A 30 -1.421 11.964 13.347 1.00 0.00 C ATOM 417 O PHE A 30 -2.545 12.402 13.596 1.00 0.00 O ATOM 418 CB PHE A 30 -0.532 14.125 14.281 1.00 0.00 C ATOM 419 CG PHE A 30 -0.747 15.131 13.176 1.00 0.00 C ATOM 420 CD1 PHE A 30 -1.553 14.841 12.085 1.00 0.00 C ATOM 421 CD2 PHE A 30 -0.138 16.375 13.237 1.00 0.00 C ATOM 422 CE1 PHE A 30 -1.743 15.766 11.079 1.00 0.00 C ATOM 423 CE2 PHE A 30 -0.326 17.302 12.232 1.00 0.00 C ATOM 424 CZ PHE A 30 -1.129 16.998 11.153 1.00 0.00 C ATOM 0 H PHE A 30 0.442 12.620 11.795 1.00 0.00 H new ATOM 0 HA PHE A 30 0.268 12.158 14.631 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.438 14.068 14.884 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.263 14.486 14.933 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.038 13.878 12.022 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.490 16.621 14.080 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.372 15.525 10.235 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.156 18.267 12.291 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.277 17.724 10.367 1.00 0.00 H new ATOM 433 N ARG A 31 -1.223 10.829 12.701 1.00 0.00 N ATOM 434 CA ARG A 31 -2.339 10.025 12.226 1.00 0.00 C ATOM 435 C ARG A 31 -1.881 8.599 11.958 1.00 0.00 C ATOM 436 O ARG A 31 -0.793 8.377 11.418 1.00 0.00 O ATOM 437 CB ARG A 31 -2.943 10.645 10.958 1.00 0.00 C ATOM 438 CG ARG A 31 -2.025 10.603 9.744 1.00 0.00 C ATOM 439 CD ARG A 31 -2.397 11.666 8.718 1.00 0.00 C ATOM 440 NE ARG A 31 -3.803 11.598 8.316 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.328 10.641 7.548 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.557 9.714 6.994 1.00 0.00 N ATOM 443 NH2 ARG A 31 -5.632 10.621 7.319 1.00 0.00 N ATOM 0 H ARG A 31 -0.302 10.442 12.493 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.109 10.003 12.997 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.869 10.123 10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.207 11.682 11.164 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.993 10.751 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.078 9.617 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.189 12.653 9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.766 11.551 7.837 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.426 12.335 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.550 9.727 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.972 8.988 6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.233 11.336 7.729 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.036 9.891 6.732 1.00 0.00 H new ATOM 454 N ASN A 32 -2.681 7.642 12.398 1.00 0.00 N ATOM 455 CA ASN A 32 -2.352 6.234 12.245 1.00 0.00 C ATOM 456 C ASN A 32 -3.502 5.507 11.559 1.00 0.00 C ATOM 457 O ASN A 32 -4.671 5.709 11.900 1.00 0.00 O ATOM 458 CB ASN A 32 -2.056 5.595 13.608 1.00 0.00 C ATOM 459 CG ASN A 32 -0.752 6.084 14.225 1.00 0.00 C ATOM 460 OD1 ASN A 32 -0.573 7.276 14.483 1.00 0.00 O ATOM 461 ND2 ASN A 32 0.169 5.167 14.471 1.00 0.00 N ATOM 0 H ASN A 32 -3.570 7.816 12.868 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.457 6.149 11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.878 5.811 14.291 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.013 4.512 13.494 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.060 5.438 14.887 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.012 4.189 14.245 1.00 0.00 H new ATOM 467 N ILE A 33 -3.177 4.753 10.522 1.00 0.00 N ATOM 468 CA ILE A 33 -4.187 4.104 9.697 1.00 0.00 C ATOM 469 C ILE A 33 -3.686 2.759 9.173 1.00 0.00 C ATOM 470 O ILE A 33 -2.552 2.643 8.715 1.00 0.00 O ATOM 471 CB ILE A 33 -4.593 5.012 8.506 1.00 0.00 C ATOM 472 CG1 ILE A 33 -5.440 4.238 7.488 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.361 5.615 7.840 1.00 0.00 C ATOM 474 CD1 ILE A 33 -5.860 5.060 6.289 1.00 0.00 C ATOM 0 H ILE A 33 -2.217 4.574 10.229 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.062 3.931 10.324 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.201 5.828 8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.875 3.372 7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.332 3.858 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.670 6.248 7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.811 6.214 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.720 4.815 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.455 4.443 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.454 5.911 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.974 5.418 5.765 1.00 0.00 H new ATOM 485 N ASP A 34 -4.532 1.742 9.253 1.00 0.00 N ATOM 486 CA ASP A 34 -4.186 0.418 8.753 1.00 0.00 C ATOM 487 C ASP A 34 -4.951 0.106 7.478 1.00 0.00 C ATOM 488 O ASP A 34 -6.147 0.379 7.371 1.00 0.00 O ATOM 489 CB ASP A 34 -4.453 -0.675 9.796 1.00 0.00 C ATOM 490 CG ASP A 34 -5.891 -0.708 10.284 1.00 0.00 C ATOM 491 OD1 ASP A 34 -6.387 0.329 10.773 1.00 0.00 O ATOM 492 OD2 ASP A 34 -6.527 -1.780 10.197 1.00 0.00 O ATOM 0 H ASP A 34 -5.465 1.808 9.660 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.117 0.429 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.201 -1.645 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.792 -0.522 10.649 1.00 0.00 H new ATOM 496 N VAL A 35 -4.255 -0.481 6.521 1.00 0.00 N ATOM 497 CA VAL A 35 -4.866 -0.888 5.269 1.00 0.00 C ATOM 498 C VAL A 35 -4.874 -2.404 5.181 1.00 0.00 C ATOM 499 O VAL A 35 -3.820 -3.029 5.104 1.00 0.00 O ATOM 500 CB VAL A 35 -4.107 -0.318 4.048 1.00 0.00 C ATOM 501 CG1 VAL A 35 -4.872 -0.596 2.761 1.00 0.00 C ATOM 502 CG2 VAL A 35 -3.851 1.173 4.214 1.00 0.00 C ATOM 0 H VAL A 35 -3.258 -0.688 6.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.883 -0.496 5.252 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.141 -0.820 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.321 -0.187 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.988 -1.672 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.855 -0.128 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.316 1.550 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.802 1.697 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.251 1.342 5.108 1.00 0.00 H new ATOM 512 N VAL A 36 -6.046 -3.000 5.288 1.00 0.00 N ATOM 513 CA VAL A 36 -6.153 -4.450 5.270 1.00 0.00 C ATOM 514 C VAL A 36 -6.738 -4.951 3.946 1.00 0.00 C ATOM 515 O VAL A 36 -7.729 -4.413 3.445 1.00 0.00 O ATOM 516 CB VAL A 36 -6.988 -4.966 6.466 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.344 -4.279 6.527 1.00 0.00 C ATOM 518 CG2 VAL A 36 -7.156 -6.475 6.405 1.00 0.00 C ATOM 0 H VAL A 36 -6.934 -2.508 5.388 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.144 -4.851 5.364 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.443 -4.721 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.908 -4.662 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.203 -3.204 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.894 -4.478 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.747 -6.810 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.666 -6.747 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.176 -6.952 6.433 1.00 0.00 H new ATOM 528 N PHE A 37 -6.084 -5.953 3.371 1.00 0.00 N ATOM 529 CA PHE A 37 -6.483 -6.532 2.092 1.00 0.00 C ATOM 530 C PHE A 37 -6.015 -7.973 2.024 1.00 0.00 C ATOM 531 O PHE A 37 -4.968 -8.305 2.559 1.00 0.00 O ATOM 532 CB PHE A 37 -5.899 -5.729 0.923 1.00 0.00 C ATOM 533 CG PHE A 37 -4.454 -5.339 1.101 1.00 0.00 C ATOM 534 CD1 PHE A 37 -4.113 -4.201 1.819 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.441 -6.095 0.540 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.793 -3.832 1.976 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.117 -5.731 0.696 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.793 -4.598 1.414 1.00 0.00 C ATOM 0 H PHE A 37 -5.258 -6.390 3.780 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.570 -6.498 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.995 -6.316 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.493 -4.826 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.891 -3.596 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.688 -6.981 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.543 -2.944 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.336 -6.333 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.759 -4.312 1.536 1.00 0.00 H new ATOM 547 N GLU A 38 -6.822 -8.847 1.455 1.00 0.00 N ATOM 548 CA GLU A 38 -6.507 -10.266 1.470 1.00 0.00 C ATOM 549 C GLU A 38 -5.917 -10.697 0.136 1.00 0.00 C ATOM 550 O GLU A 38 -6.232 -10.124 -0.909 1.00 0.00 O ATOM 551 CB GLU A 38 -7.763 -11.079 1.783 1.00 0.00 C ATOM 552 CG GLU A 38 -7.483 -12.524 2.158 1.00 0.00 C ATOM 553 CD GLU A 38 -8.751 -13.322 2.358 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.617 -12.882 3.139 1.00 0.00 O ATOM 555 OE2 GLU A 38 -8.887 -14.393 1.731 1.00 0.00 O ATOM 0 H GLU A 38 -7.692 -8.606 0.981 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.766 -10.449 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.300 -10.599 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.422 -11.060 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.883 -12.990 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.891 -12.551 3.073 1.00 0.00 H new ATOM 560 N LEU A 39 -4.963 -11.617 0.212 1.00 0.00 N ATOM 561 CA LEU A 39 -4.213 -12.074 -0.948 1.00 0.00 C ATOM 562 C LEU A 39 -5.136 -12.539 -2.074 1.00 0.00 C ATOM 563 O LEU A 39 -5.809 -13.566 -1.961 1.00 0.00 O ATOM 564 CB LEU A 39 -3.276 -13.211 -0.530 1.00 0.00 C ATOM 565 CG LEU A 39 -1.786 -12.933 -0.718 1.00 0.00 C ATOM 566 CD1 LEU A 39 -0.970 -14.157 -0.339 1.00 0.00 C ATOM 567 CD2 LEU A 39 -1.492 -12.511 -2.145 1.00 0.00 C ATOM 0 H LEU A 39 -4.688 -12.068 1.084 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.632 -11.235 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.456 -13.440 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.537 -14.103 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.503 -12.111 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.090 -13.945 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.156 -14.409 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.258 -14.996 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.425 -12.318 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.789 -13.306 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.050 -11.604 -2.379 1.00 0.00 H new ATOM 578 N GLY A 40 -5.129 -11.788 -3.171 1.00 0.00 N ATOM 579 CA GLY A 40 -5.930 -12.131 -4.326 1.00 0.00 C ATOM 580 C GLY A 40 -7.415 -11.942 -4.096 1.00 0.00 C ATOM 581 O GLY A 40 -8.221 -12.767 -4.526 1.00 0.00 O ATOM 0 H GLY A 40 -4.575 -10.938 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.618 -11.518 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.740 -13.169 -4.597 1.00 0.00 H new ATOM 585 N VAL A 41 -7.786 -10.861 -3.422 1.00 0.00 N ATOM 586 CA VAL A 41 -9.192 -10.582 -3.164 1.00 0.00 C ATOM 587 C VAL A 41 -9.565 -9.201 -3.695 1.00 0.00 C ATOM 588 O VAL A 41 -8.795 -8.252 -3.557 1.00 0.00 O ATOM 589 CB VAL A 41 -9.517 -10.678 -1.655 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.940 -10.228 -1.360 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.306 -12.100 -1.162 1.00 0.00 C ATOM 0 H VAL A 41 -7.138 -10.168 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.783 -11.335 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.838 -10.009 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.133 -10.309 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.066 -9.192 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.642 -10.860 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.538 -12.155 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.961 -12.776 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.268 -12.390 -1.322 1.00 0.00 H new ATOM 601 N ASP A 42 -10.733 -9.102 -4.318 1.00 0.00 N ATOM 602 CA ASP A 42 -11.232 -7.823 -4.813 1.00 0.00 C ATOM 603 C ASP A 42 -12.368 -7.358 -3.916 1.00 0.00 C ATOM 604 O ASP A 42 -13.148 -8.175 -3.426 1.00 0.00 O ATOM 605 CB ASP A 42 -11.702 -7.925 -6.272 1.00 0.00 C ATOM 606 CG ASP A 42 -13.117 -8.450 -6.423 1.00 0.00 C ATOM 607 OD1 ASP A 42 -13.382 -9.598 -6.020 1.00 0.00 O ATOM 608 OD2 ASP A 42 -13.971 -7.714 -6.957 1.00 0.00 O ATOM 0 H ASP A 42 -11.354 -9.892 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.420 -7.096 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.638 -6.940 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.022 -8.578 -6.819 1.00 0.00 H new ATOM 612 N PHE A 43 -12.331 -6.093 -3.536 1.00 0.00 N ATOM 613 CA PHE A 43 -13.226 -5.595 -2.502 1.00 0.00 C ATOM 614 C PHE A 43 -13.269 -4.076 -2.508 1.00 0.00 C ATOM 615 O PHE A 43 -12.363 -3.425 -3.029 1.00 0.00 O ATOM 616 CB PHE A 43 -12.743 -6.089 -1.133 1.00 0.00 C ATOM 617 CG PHE A 43 -11.335 -5.658 -0.816 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.259 -6.436 -1.209 1.00 0.00 C ATOM 619 CD2 PHE A 43 -11.089 -4.472 -0.144 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.965 -6.039 -0.941 1.00 0.00 C ATOM 621 CE2 PHE A 43 -9.798 -4.070 0.131 1.00 0.00 C ATOM 622 CZ PHE A 43 -8.735 -4.853 -0.270 1.00 0.00 C ATOM 0 H PHE A 43 -11.696 -5.395 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 43 -14.231 -5.969 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.414 -5.715 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.799 -7.177 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.435 -7.365 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.918 -3.854 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.134 -6.653 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.620 -3.145 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.723 -4.539 -0.059 1.00 0.00 H new ATOM 631 N ALA A 44 -14.261 -3.523 -1.829 1.00 0.00 N ATOM 632 CA ALA A 44 -14.341 -2.089 -1.630 1.00 0.00 C ATOM 633 C ALA A 44 -13.941 -1.756 -0.201 1.00 0.00 C ATOM 634 O ALA A 44 -14.364 -2.430 0.742 1.00 0.00 O ATOM 635 CB ALA A 44 -15.743 -1.583 -1.928 1.00 0.00 C ATOM 0 H ALA A 44 -15.024 -4.050 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.656 -1.593 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.781 -0.505 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.999 -1.810 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.455 -2.071 -1.263 1.00 0.00 H new ATOM 641 N TYR A 45 -13.073 -0.772 -0.042 1.00 0.00 N ATOM 642 CA TYR A 45 -12.575 -0.410 1.275 1.00 0.00 C ATOM 643 C TYR A 45 -12.392 1.096 1.370 1.00 0.00 C ATOM 644 O TYR A 45 -11.917 1.733 0.427 1.00 0.00 O ATOM 645 CB TYR A 45 -11.242 -1.111 1.554 1.00 0.00 C ATOM 646 CG TYR A 45 -10.817 -1.054 3.004 1.00 0.00 C ATOM 647 CD1 TYR A 45 -11.731 -1.280 4.025 1.00 0.00 C ATOM 648 CD2 TYR A 45 -9.500 -0.780 3.350 1.00 0.00 C ATOM 649 CE1 TYR A 45 -11.346 -1.228 5.350 1.00 0.00 C ATOM 650 CE2 TYR A 45 -9.109 -0.729 4.675 1.00 0.00 C ATOM 651 CZ TYR A 45 -10.035 -0.955 5.670 1.00 0.00 C ATOM 652 OH TYR A 45 -9.649 -0.907 6.988 1.00 0.00 O ATOM 0 H TYR A 45 -12.699 -0.210 -0.806 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.304 -0.730 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.319 -2.154 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.466 -0.655 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.759 -1.500 3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.771 -0.604 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.070 -1.401 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.082 -0.513 4.929 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.692 -0.704 7.041 1.00 0.00 H new ATOM 661 N SER A 46 -12.742 1.662 2.512 1.00 0.00 N ATOM 662 CA SER A 46 -12.578 3.082 2.720 1.00 0.00 C ATOM 663 C SER A 46 -11.360 3.346 3.589 1.00 0.00 C ATOM 664 O SER A 46 -11.199 2.754 4.658 1.00 0.00 O ATOM 665 CB SER A 46 -13.827 3.684 3.367 1.00 0.00 C ATOM 666 OG SER A 46 -13.688 5.087 3.524 1.00 0.00 O ATOM 0 H SER A 46 -13.140 1.158 3.305 1.00 0.00 H new ATOM 0 HA SER A 46 -12.432 3.556 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.701 3.467 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.998 3.220 4.338 1.00 0.00 H new ATOM 0 HG SER A 46 -13.144 5.446 2.792 1.00 0.00 H new ATOM 671 N LEU A 47 -10.501 4.230 3.112 1.00 0.00 N ATOM 672 CA LEU A 47 -9.296 4.595 3.833 1.00 0.00 C ATOM 673 C LEU A 47 -9.392 6.019 4.353 1.00 0.00 C ATOM 674 O LEU A 47 -9.918 6.901 3.665 1.00 0.00 O ATOM 675 CB LEU A 47 -8.067 4.434 2.939 1.00 0.00 C ATOM 676 CG LEU A 47 -7.646 2.991 2.675 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.438 2.953 1.757 1.00 0.00 C ATOM 678 CD2 LEU A 47 -7.344 2.279 3.986 1.00 0.00 C ATOM 0 H LEU A 47 -10.618 4.711 2.220 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.193 3.925 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.265 4.919 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.231 4.962 3.397 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.469 2.472 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.150 1.917 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.687 3.430 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.609 3.485 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.045 1.251 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.535 2.796 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.235 2.280 4.614 1.00 0.00 H new ATOM 689 N ALA A 48 -8.972 6.204 5.605 1.00 0.00 N ATOM 690 CA ALA A 48 -9.052 7.495 6.288 1.00 0.00 C ATOM 691 C ALA A 48 -10.491 7.992 6.336 1.00 0.00 C ATOM 692 O ALA A 48 -10.741 9.194 6.435 1.00 0.00 O ATOM 693 CB ALA A 48 -8.147 8.517 5.608 1.00 0.00 C ATOM 0 H ALA A 48 -8.566 5.462 6.175 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.707 7.363 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.220 9.471 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.116 8.165 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.458 8.646 4.571 1.00 0.00 H new ATOM 699 N ASP A 49 -11.428 7.044 6.260 1.00 0.00 N ATOM 700 CA ASP A 49 -12.859 7.339 6.281 1.00 0.00 C ATOM 701 C ASP A 49 -13.221 8.400 5.244 1.00 0.00 C ATOM 702 O ASP A 49 -14.040 9.284 5.505 1.00 0.00 O ATOM 703 CB ASP A 49 -13.290 7.791 7.680 1.00 0.00 C ATOM 704 CG ASP A 49 -13.208 6.674 8.703 1.00 0.00 C ATOM 705 OD1 ASP A 49 -13.975 5.690 8.586 1.00 0.00 O ATOM 706 OD2 ASP A 49 -12.385 6.774 9.635 1.00 0.00 O ATOM 0 H ASP A 49 -11.214 6.050 6.182 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.394 6.424 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.659 8.620 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.312 8.166 7.638 1.00 0.00 H new ATOM 710 N GLY A 50 -12.589 8.324 4.076 1.00 0.00 N ATOM 711 CA GLY A 50 -12.838 9.302 3.037 1.00 0.00 C ATOM 712 C GLY A 50 -12.696 8.721 1.648 1.00 0.00 C ATOM 713 O GLY A 50 -13.640 8.756 0.862 1.00 0.00 O ATOM 0 H GLY A 50 -11.910 7.603 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.843 9.707 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.143 10.134 3.152 1.00 0.00 H new ATOM 717 N THR A 51 -11.550 8.122 1.361 1.00 0.00 N ATOM 718 CA THR A 51 -11.347 7.473 0.076 1.00 0.00 C ATOM 719 C THR A 51 -12.055 6.128 0.066 1.00 0.00 C ATOM 720 O THR A 51 -12.015 5.402 1.059 1.00 0.00 O ATOM 721 CB THR A 51 -9.851 7.260 -0.232 1.00 0.00 C ATOM 722 OG1 THR A 51 -9.281 6.327 0.695 1.00 0.00 O ATOM 723 CG2 THR A 51 -9.092 8.574 -0.163 1.00 0.00 C ATOM 0 H THR A 51 -10.753 8.072 1.995 1.00 0.00 H new ATOM 0 HA THR A 51 -11.760 8.127 -0.692 1.00 0.00 H new ATOM 0 HB THR A 51 -9.769 6.861 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.515 6.590 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.039 8.398 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.504 9.271 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.187 8.997 0.837 1.00 0.00 H new ATOM 731 N GLU A 52 -12.688 5.782 -1.042 1.00 0.00 N ATOM 732 CA GLU A 52 -13.375 4.506 -1.138 1.00 0.00 C ATOM 733 C GLU A 52 -12.869 3.751 -2.350 1.00 0.00 C ATOM 734 O GLU A 52 -13.202 4.090 -3.484 1.00 0.00 O ATOM 735 CB GLU A 52 -14.884 4.718 -1.242 1.00 0.00 C ATOM 736 CG GLU A 52 -15.454 5.587 -0.133 1.00 0.00 C ATOM 737 CD GLU A 52 -16.968 5.615 -0.131 1.00 0.00 C ATOM 738 OE1 GLU A 52 -17.582 4.930 -0.979 1.00 0.00 O ATOM 739 OE2 GLU A 52 -17.555 6.310 0.722 1.00 0.00 O ATOM 0 H GLU A 52 -12.740 6.361 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.172 3.924 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.113 5.175 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.381 3.748 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.100 5.218 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.076 6.603 -0.243 1.00 0.00 H new ATOM 744 N LEU A 53 -11.967 2.817 -2.120 1.00 0.00 N ATOM 745 CA LEU A 53 -11.326 2.104 -3.210 1.00 0.00 C ATOM 746 C LEU A 53 -11.894 0.699 -3.362 1.00 0.00 C ATOM 747 O LEU A 53 -11.790 -0.124 -2.454 1.00 0.00 O ATOM 748 CB LEU A 53 -9.810 2.018 -2.985 1.00 0.00 C ATOM 749 CG LEU A 53 -8.992 3.265 -3.353 1.00 0.00 C ATOM 750 CD1 LEU A 53 -9.376 4.451 -2.481 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.507 2.969 -3.208 1.00 0.00 C ATOM 0 H LEU A 53 -11.661 2.534 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.525 2.663 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.633 1.792 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.427 1.176 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.210 3.524 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.781 5.319 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.434 4.676 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.189 4.209 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.932 3.857 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.291 2.688 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.233 2.150 -3.872 1.00 0.00 H new ATOM 762 N THR A 54 -12.376 0.396 -4.556 1.00 0.00 N ATOM 763 CA THR A 54 -12.787 -0.958 -4.892 1.00 0.00 C ATOM 764 C THR A 54 -11.735 -1.585 -5.795 1.00 0.00 C ATOM 765 O THR A 54 -11.478 -1.074 -6.885 1.00 0.00 O ATOM 766 CB THR A 54 -14.137 -0.978 -5.630 1.00 0.00 C ATOM 767 OG1 THR A 54 -15.065 -0.092 -4.989 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.714 -2.386 -5.659 1.00 0.00 C ATOM 0 H THR A 54 -12.493 1.072 -5.311 1.00 0.00 H new ATOM 0 HA THR A 54 -12.894 -1.517 -3.962 1.00 0.00 H new ATOM 0 HB THR A 54 -13.969 -0.646 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.920 -0.111 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.668 -2.377 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.022 -3.052 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.866 -2.738 -4.639 1.00 0.00 H new ATOM 776 N GLY A 55 -11.045 -2.603 -5.312 1.00 0.00 N ATOM 777 CA GLY A 55 -9.967 -3.164 -6.089 1.00 0.00 C ATOM 778 C GLY A 55 -9.473 -4.495 -5.572 1.00 0.00 C ATOM 779 O GLY A 55 -9.764 -4.879 -4.440 1.00 0.00 O ATOM 0 H GLY A 55 -11.209 -3.046 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.299 -3.286 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.136 -2.459 -6.103 1.00 0.00 H new ATOM 783 N THR A 56 -8.699 -5.178 -6.401 1.00 0.00 N ATOM 784 CA THR A 56 -8.090 -6.446 -6.031 1.00 0.00 C ATOM 785 C THR A 56 -6.583 -6.267 -5.847 1.00 0.00 C ATOM 786 O THR A 56 -5.970 -5.412 -6.496 1.00 0.00 O ATOM 787 CB THR A 56 -8.367 -7.534 -7.096 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.982 -8.826 -6.607 1.00 0.00 O ATOM 789 CG2 THR A 56 -7.625 -7.246 -8.395 1.00 0.00 C ATOM 0 H THR A 56 -8.476 -4.870 -7.347 1.00 0.00 H new ATOM 0 HA THR A 56 -8.534 -6.773 -5.091 1.00 0.00 H new ATOM 0 HB THR A 56 -9.438 -7.524 -7.298 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.165 -9.503 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.843 -8.030 -9.120 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.948 -6.284 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.552 -7.217 -8.203 1.00 0.00 H new ATOM 797 N TRP A 57 -6.000 -7.017 -4.918 1.00 0.00 N ATOM 798 CA TRP A 57 -4.576 -6.902 -4.629 1.00 0.00 C ATOM 799 C TRP A 57 -3.902 -8.272 -4.655 1.00 0.00 C ATOM 800 O TRP A 57 -4.406 -9.228 -4.063 1.00 0.00 O ATOM 801 CB TRP A 57 -4.370 -6.261 -3.256 1.00 0.00 C ATOM 802 CG TRP A 57 -2.943 -5.908 -2.968 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.964 -6.743 -2.510 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.345 -4.614 -3.084 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.791 -6.053 -2.355 1.00 0.00 N ATOM 806 CE2 TRP A 57 -1.000 -4.742 -2.694 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.814 -3.361 -3.481 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -0.120 -3.667 -2.693 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.941 -2.294 -3.478 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.606 -2.454 -3.083 1.00 0.00 C ATOM 0 H TRP A 57 -6.491 -7.710 -4.353 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.125 -6.275 -5.398 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.979 -5.360 -3.190 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.729 -6.945 -2.487 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.096 -7.794 -2.301 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.094 -6.450 -2.039 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.842 -3.230 -3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.911 -3.787 -2.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.291 -1.320 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.052 -1.598 -3.088 1.00 0.00 H new ATOM 820 N THR A 58 -2.733 -8.349 -5.283 1.00 0.00 N ATOM 821 CA THR A 58 -1.963 -9.588 -5.319 1.00 0.00 C ATOM 822 C THR A 58 -0.496 -9.333 -4.974 1.00 0.00 C ATOM 823 O THR A 58 0.167 -8.511 -5.608 1.00 0.00 O ATOM 824 CB THR A 58 -2.033 -10.256 -6.707 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.608 -9.328 -7.714 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.442 -10.743 -7.014 1.00 0.00 C ATOM 0 H THR A 58 -2.298 -7.568 -5.774 1.00 0.00 H new ATOM 0 HA THR A 58 -2.405 -10.253 -4.577 1.00 0.00 H new ATOM 0 HB THR A 58 -1.369 -11.121 -6.703 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.490 -8.441 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.459 -11.209 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.747 -11.471 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.130 -9.898 -7.001 1.00 0.00 H new ATOM 834 N MET A 59 0.028 -10.108 -4.036 1.00 0.00 N ATOM 835 CA MET A 59 1.443 -10.062 -3.700 1.00 0.00 C ATOM 836 C MET A 59 2.125 -11.315 -4.229 1.00 0.00 C ATOM 837 O MET A 59 1.908 -12.410 -3.711 1.00 0.00 O ATOM 838 CB MET A 59 1.623 -9.961 -2.182 1.00 0.00 C ATOM 839 CG MET A 59 3.051 -10.192 -1.698 1.00 0.00 C ATOM 840 SD MET A 59 4.196 -8.898 -2.209 1.00 0.00 S ATOM 841 CE MET A 59 5.606 -9.280 -1.168 1.00 0.00 C ATOM 0 H MET A 59 -0.510 -10.781 -3.491 1.00 0.00 H new ATOM 0 HA MET A 59 1.896 -9.183 -4.159 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.297 -8.974 -1.855 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.968 -10.688 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.052 -10.259 -0.610 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.405 -11.151 -2.077 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.400 -8.556 -1.351 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.308 -9.235 -0.121 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.968 -10.282 -1.399 1.00 0.00 H new ATOM 849 N GLU A 60 2.874 -11.172 -5.308 1.00 0.00 N ATOM 850 CA GLU A 60 3.508 -12.322 -5.929 1.00 0.00 C ATOM 851 C GLU A 60 5.000 -12.350 -5.611 1.00 0.00 C ATOM 852 O GLU A 60 5.785 -11.619 -6.218 1.00 0.00 O ATOM 853 CB GLU A 60 3.286 -12.286 -7.444 1.00 0.00 C ATOM 854 CG GLU A 60 3.745 -13.544 -8.166 1.00 0.00 C ATOM 855 CD GLU A 60 2.934 -14.772 -7.797 1.00 0.00 C ATOM 856 OE1 GLU A 60 1.972 -14.653 -7.011 1.00 0.00 O ATOM 857 OE2 GLU A 60 3.249 -15.868 -8.304 1.00 0.00 O ATOM 0 H GLU A 60 3.057 -10.281 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 60 3.057 -13.229 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.225 -12.132 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.815 -11.428 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.679 -13.383 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.794 -13.726 -7.934 1.00 0.00 H new ATOM 862 N GLY A 61 5.382 -13.231 -4.689 1.00 0.00 N ATOM 863 CA GLY A 61 6.777 -13.381 -4.306 1.00 0.00 C ATOM 864 C GLY A 61 7.311 -12.199 -3.519 1.00 0.00 C ATOM 865 O GLY A 61 7.669 -12.324 -2.348 1.00 0.00 O ATOM 0 H GLY A 61 4.741 -13.851 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.888 -14.286 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.381 -13.515 -5.203 1.00 0.00 H new ATOM 869 N ASN A 62 7.397 -11.065 -4.187 1.00 0.00 N ATOM 870 CA ASN A 62 7.959 -9.850 -3.623 1.00 0.00 C ATOM 871 C ASN A 62 7.587 -8.677 -4.511 1.00 0.00 C ATOM 872 O ASN A 62 8.389 -7.774 -4.752 1.00 0.00 O ATOM 873 CB ASN A 62 9.486 -9.961 -3.501 1.00 0.00 C ATOM 874 CG ASN A 62 10.156 -10.399 -4.796 1.00 0.00 C ATOM 875 OD1 ASN A 62 9.959 -11.519 -5.266 1.00 0.00 O ATOM 876 ND2 ASN A 62 10.950 -9.523 -5.381 1.00 0.00 N ATOM 0 H ASN A 62 7.075 -10.959 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 62 7.554 -9.698 -2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.892 -8.996 -3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.731 -10.673 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.424 -9.765 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.090 -8.603 -4.963 1.00 0.00 H new ATOM 882 N LYS A 63 6.346 -8.695 -4.973 1.00 0.00 N ATOM 883 CA LYS A 63 5.826 -7.667 -5.856 1.00 0.00 C ATOM 884 C LYS A 63 4.386 -7.361 -5.495 1.00 0.00 C ATOM 885 O LYS A 63 3.553 -8.264 -5.376 1.00 0.00 O ATOM 886 CB LYS A 63 5.914 -8.110 -7.320 1.00 0.00 C ATOM 887 CG LYS A 63 7.320 -8.040 -7.896 1.00 0.00 C ATOM 888 CD LYS A 63 7.732 -9.354 -8.541 1.00 0.00 C ATOM 889 CE LYS A 63 9.113 -9.257 -9.167 1.00 0.00 C ATOM 890 NZ LYS A 63 9.570 -10.563 -9.713 1.00 0.00 N ATOM 0 H LYS A 63 5.671 -9.425 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 63 6.430 -6.768 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.547 -9.133 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.253 -7.484 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.371 -7.241 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.025 -7.787 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.725 -10.146 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.004 -9.630 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.098 -8.515 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.826 -8.907 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.516 -10.453 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.610 -11.265 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.904 -10.886 -10.444 1.00 0.00 H new ATOM 900 N LEU A 64 4.126 -6.094 -5.268 1.00 0.00 N ATOM 901 CA LEU A 64 2.826 -5.628 -4.843 1.00 0.00 C ATOM 902 C LEU A 64 2.101 -4.987 -6.011 1.00 0.00 C ATOM 903 O LEU A 64 2.478 -3.907 -6.467 1.00 0.00 O ATOM 904 CB LEU A 64 3.019 -4.616 -3.717 1.00 0.00 C ATOM 905 CG LEU A 64 3.602 -5.197 -2.428 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.204 -4.091 -1.579 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.524 -5.932 -1.645 1.00 0.00 C ATOM 0 H LEU A 64 4.817 -5.351 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 64 2.225 -6.464 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.675 -3.821 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.056 -4.158 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 64 4.388 -5.906 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.616 -4.518 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.998 -3.595 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.431 -3.366 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.953 -6.340 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.722 -5.239 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.123 -6.744 -2.252 1.00 0.00 H new ATOM 918 N VAL A 65 1.132 -5.706 -6.556 1.00 0.00 N ATOM 919 CA VAL A 65 0.430 -5.257 -7.746 1.00 0.00 C ATOM 920 C VAL A 65 -1.072 -5.455 -7.591 1.00 0.00 C ATOM 921 O VAL A 65 -1.532 -6.509 -7.147 1.00 0.00 O ATOM 922 CB VAL A 65 0.909 -6.019 -9.008 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.247 -5.465 -10.262 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.424 -5.960 -9.138 1.00 0.00 C ATOM 0 H VAL A 65 0.814 -6.604 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 65 0.651 -4.197 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 65 0.615 -7.063 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.600 -6.016 -11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.835 -5.570 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.501 -4.411 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.734 -6.502 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.742 -4.920 -9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.883 -6.415 -8.260 1.00 0.00 H new ATOM 934 N GLY A 66 -1.828 -4.449 -7.995 1.00 0.00 N ATOM 935 CA GLY A 66 -3.266 -4.541 -7.979 1.00 0.00 C ATOM 936 C GLY A 66 -3.891 -3.384 -8.718 1.00 0.00 C ATOM 937 O GLY A 66 -3.219 -2.725 -9.515 1.00 0.00 O ATOM 0 H GLY A 66 -1.463 -3.560 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.579 -5.480 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.622 -4.553 -6.949 1.00 0.00 H new ATOM 941 N LYS A 67 -5.139 -3.085 -8.403 1.00 0.00 N ATOM 942 CA LYS A 67 -5.825 -1.946 -8.993 1.00 0.00 C ATOM 943 C LYS A 67 -7.092 -1.640 -8.219 1.00 0.00 C ATOM 944 O LYS A 67 -7.967 -2.495 -8.095 1.00 0.00 O ATOM 945 CB LYS A 67 -6.162 -2.212 -10.463 1.00 0.00 C ATOM 946 CG LYS A 67 -6.896 -1.063 -11.135 1.00 0.00 C ATOM 947 CD LYS A 67 -7.053 -1.293 -12.626 1.00 0.00 C ATOM 948 CE LYS A 67 -5.704 -1.365 -13.323 1.00 0.00 C ATOM 949 NZ LYS A 67 -5.850 -1.460 -14.796 1.00 0.00 N ATOM 0 H LYS A 67 -5.701 -3.617 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.159 -1.085 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.240 -2.412 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.773 -3.112 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.879 -0.943 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.351 -0.134 -10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.602 -2.219 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.645 -0.487 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.117 -0.481 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.151 -2.229 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.909 -1.507 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.388 -2.317 -15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.356 -0.623 -15.149 1.00 0.00 H new ATOM 959 N PHE A 68 -7.176 -0.428 -7.690 1.00 0.00 N ATOM 960 CA PHE A 68 -8.331 -0.006 -6.915 1.00 0.00 C ATOM 961 C PHE A 68 -8.979 1.220 -7.548 1.00 0.00 C ATOM 962 O PHE A 68 -8.302 2.042 -8.165 1.00 0.00 O ATOM 963 CB PHE A 68 -7.937 0.303 -5.466 1.00 0.00 C ATOM 964 CG PHE A 68 -7.598 -0.907 -4.633 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.530 -1.729 -4.963 1.00 0.00 C ATOM 966 CD2 PHE A 68 -8.342 -1.209 -3.505 1.00 0.00 C ATOM 967 CE1 PHE A 68 -6.217 -2.830 -4.188 1.00 0.00 C ATOM 968 CE2 PHE A 68 -8.032 -2.306 -2.724 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.969 -3.117 -3.066 1.00 0.00 C ATOM 0 H PHE A 68 -6.452 0.284 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.049 -0.826 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.078 0.975 -5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.757 0.839 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.936 -1.506 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.176 -0.579 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.386 -3.464 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.621 -2.529 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.726 -3.975 -2.457 1.00 0.00 H new ATOM 978 N LYS A 69 -10.293 1.317 -7.420 1.00 0.00 N ATOM 979 CA LYS A 69 -11.048 2.420 -7.986 1.00 0.00 C ATOM 980 C LYS A 69 -11.456 3.397 -6.893 1.00 0.00 C ATOM 981 O LYS A 69 -12.032 2.996 -5.886 1.00 0.00 O ATOM 982 CB LYS A 69 -12.289 1.887 -8.710 1.00 0.00 C ATOM 983 CG LYS A 69 -13.262 2.971 -9.152 1.00 0.00 C ATOM 984 CD LYS A 69 -14.372 2.410 -10.027 1.00 0.00 C ATOM 985 CE LYS A 69 -13.817 1.799 -11.303 1.00 0.00 C ATOM 986 NZ LYS A 69 -14.895 1.337 -12.215 1.00 0.00 N ATOM 0 H LYS A 69 -10.864 0.634 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.418 2.946 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.971 1.320 -9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.810 1.192 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.697 3.449 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.722 3.743 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.928 1.654 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.076 3.204 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.198 2.534 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.171 0.958 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.472 0.927 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.471 0.617 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.497 2.143 -12.477 1.00 0.00 H new ATOM 996 N ARG A 70 -11.139 4.670 -7.091 1.00 0.00 N ATOM 997 CA ARG A 70 -11.455 5.703 -6.120 1.00 0.00 C ATOM 998 C ARG A 70 -12.239 6.830 -6.781 1.00 0.00 C ATOM 999 O ARG A 70 -11.655 7.705 -7.429 1.00 0.00 O ATOM 1000 CB ARG A 70 -10.165 6.274 -5.544 1.00 0.00 C ATOM 1001 CG ARG A 70 -10.386 7.333 -4.475 1.00 0.00 C ATOM 1002 CD ARG A 70 -9.290 8.380 -4.516 1.00 0.00 C ATOM 1003 NE ARG A 70 -9.466 9.426 -3.510 1.00 0.00 N ATOM 1004 CZ ARG A 70 -8.634 10.458 -3.358 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -7.543 10.555 -4.112 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -8.905 11.398 -2.464 1.00 0.00 N ATOM 0 H ARG A 70 -10.659 5.011 -7.924 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.057 5.261 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.576 5.461 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.576 6.706 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.355 7.809 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.409 6.863 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.325 7.895 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.266 8.835 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.272 9.363 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.340 9.839 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.909 11.345 -3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.748 11.332 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.270 12.188 -2.346 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.545 6.833 -6.583 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.399 7.886 -7.117 1.00 0.00 C ATOM 1019 C VAL A 71 -14.155 9.200 -6.366 1.00 0.00 C ATOM 1020 O VAL A 71 -14.516 10.279 -6.836 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.897 7.494 -7.054 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.399 7.432 -5.619 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -16.743 8.449 -7.884 1.00 0.00 C ATOM 0 H VAL A 71 -14.042 6.116 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.140 8.025 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.993 6.495 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.453 7.154 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.825 6.689 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.279 8.408 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.790 8.153 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.630 9.463 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.416 8.416 -8.923 1.00 0.00 H new ATOM 1033 N ASP A 72 -13.497 9.089 -5.209 1.00 0.00 N ATOM 1034 CA ASP A 72 -13.158 10.238 -4.355 1.00 0.00 C ATOM 1035 C ASP A 72 -12.065 11.122 -4.982 1.00 0.00 C ATOM 1036 O ASP A 72 -11.395 11.888 -4.293 1.00 0.00 O ATOM 1037 CB ASP A 72 -12.680 9.708 -2.995 1.00 0.00 C ATOM 1038 CG ASP A 72 -12.501 10.786 -1.947 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -13.473 11.517 -1.660 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -11.385 10.893 -1.394 1.00 0.00 O ATOM 0 H ASP A 72 -13.181 8.195 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.047 10.858 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.398 8.974 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.733 9.186 -3.132 1.00 0.00 H new ATOM 1044 N ASN A 73 -11.949 11.064 -6.302 1.00 0.00 N ATOM 1045 CA ASN A 73 -10.994 11.879 -7.043 1.00 0.00 C ATOM 1046 C ASN A 73 -11.231 11.698 -8.531 1.00 0.00 C ATOM 1047 O ASN A 73 -11.294 12.666 -9.288 1.00 0.00 O ATOM 1048 CB ASN A 73 -9.551 11.502 -6.688 1.00 0.00 C ATOM 1049 CG ASN A 73 -8.531 12.340 -7.432 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -8.594 13.571 -7.427 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -7.568 11.680 -8.053 1.00 0.00 N ATOM 0 H ASN A 73 -12.514 10.451 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.141 12.924 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.401 11.622 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.387 10.449 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.840 12.191 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.553 10.660 -8.032 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.484 10.456 -8.917 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.837 10.156 -10.287 1.00 0.00 C ATOM 1059 C GLY A 74 -12.482 8.798 -10.381 1.00 0.00 C ATOM 1060 O GLY A 74 -13.693 8.670 -10.200 1.00 0.00 O ATOM 0 H GLY A 74 -11.450 9.645 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.519 10.916 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.945 10.186 -10.913 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.650 7.770 -10.478 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.126 6.396 -10.407 1.00 0.00 C ATOM 1066 C LYS A 75 -10.963 5.413 -10.389 1.00 0.00 C ATOM 1067 O LYS A 75 -11.088 4.287 -10.866 1.00 0.00 O ATOM 1068 CB LYS A 75 -13.054 6.071 -11.576 1.00 0.00 C ATOM 1069 CG LYS A 75 -12.398 6.180 -12.944 1.00 0.00 C ATOM 1070 CD LYS A 75 -13.375 5.833 -14.054 1.00 0.00 C ATOM 1071 CE LYS A 75 -12.690 5.791 -15.408 1.00 0.00 C ATOM 1072 NZ LYS A 75 -13.647 5.477 -16.501 1.00 0.00 N ATOM 0 H LYS A 75 -10.642 7.862 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.686 6.297 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.438 5.059 -11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.911 6.743 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.023 7.193 -13.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.538 5.512 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.833 4.866 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.179 6.569 -14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.216 6.752 -15.605 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.898 5.042 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.142 5.457 -17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.081 4.548 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.389 6.205 -16.533 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.861 5.809 -9.763 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.696 4.939 -9.632 1.00 0.00 C ATOM 1084 C GLU A 76 -7.754 5.440 -8.549 1.00 0.00 C ATOM 1085 O GLU A 76 -7.582 6.642 -8.357 1.00 0.00 O ATOM 1086 CB GLU A 76 -7.916 4.832 -10.953 1.00 0.00 C ATOM 1087 CG GLU A 76 -8.372 3.702 -11.864 1.00 0.00 C ATOM 1088 CD GLU A 76 -7.493 3.541 -13.090 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -6.497 4.284 -13.223 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -7.796 2.666 -13.934 1.00 0.00 O ATOM 0 H GLU A 76 -9.749 6.729 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.075 3.954 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.007 5.775 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.859 4.695 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.377 2.768 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.398 3.889 -12.181 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.109 4.501 -7.894 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.045 4.788 -6.954 1.00 0.00 C ATOM 1097 C LEU A 77 -5.323 3.489 -6.637 1.00 0.00 C ATOM 1098 O LEU A 77 -5.903 2.568 -6.066 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.581 5.448 -5.683 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.507 5.910 -4.693 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.574 6.920 -5.347 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -6.144 6.507 -3.448 1.00 0.00 C ATOM 0 H LEU A 77 -7.309 3.506 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.348 5.498 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.188 6.308 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.242 4.744 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.922 5.040 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.818 7.236 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.087 6.461 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.148 7.787 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.363 6.829 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.756 7.364 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.769 5.757 -2.964 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.149 3.339 -7.215 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.435 2.076 -7.179 1.00 0.00 C ATOM 1115 C ILE A 78 -2.136 2.216 -6.402 1.00 0.00 C ATOM 1116 O ILE A 78 -1.459 3.231 -6.506 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.117 1.595 -8.615 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.388 1.599 -9.468 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.492 0.207 -8.598 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.134 1.360 -10.940 1.00 0.00 C ATOM 0 H ILE A 78 -3.665 4.082 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.073 1.344 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.396 2.284 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.067 0.831 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.893 2.557 -9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.278 -0.108 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.566 0.232 -8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.184 -0.498 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.081 1.377 -11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.481 2.142 -11.328 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.657 0.389 -11.074 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.722 1.153 -5.744 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.416 1.124 -5.119 1.00 0.00 C ATOM 1133 C ALA A 79 0.372 -0.039 -5.695 1.00 0.00 C ATOM 1134 O ALA A 79 -0.183 -1.117 -5.903 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.537 1.008 -3.607 1.00 0.00 C ATOM 0 H ALA A 79 -2.269 0.300 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 79 0.109 2.057 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.458 0.988 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.090 1.863 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.066 0.089 -3.354 1.00 0.00 H new ATOM 1141 N VAL A 80 1.599 0.221 -6.113 1.00 0.00 N ATOM 1142 CA VAL A 80 2.374 -0.793 -6.816 1.00 0.00 C ATOM 1143 C VAL A 80 3.870 -0.628 -6.565 1.00 0.00 C ATOM 1144 O VAL A 80 4.441 0.434 -6.817 1.00 0.00 O ATOM 1145 CB VAL A 80 2.083 -0.746 -8.338 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.441 0.606 -8.938 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.808 -1.871 -9.070 1.00 0.00 C ATOM 0 H VAL A 80 2.077 1.112 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 80 2.070 -1.765 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 80 1.010 -0.890 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.223 0.599 -10.006 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.855 1.386 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.502 0.802 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.586 -1.814 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.883 -1.771 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.474 -2.833 -8.681 1.00 0.00 H new ATOM 1157 N ARG A 81 4.509 -1.686 -6.078 1.00 0.00 N ATOM 1158 CA ARG A 81 5.952 -1.677 -5.903 1.00 0.00 C ATOM 1159 C ARG A 81 6.484 -3.067 -5.588 1.00 0.00 C ATOM 1160 O ARG A 81 5.730 -3.955 -5.205 1.00 0.00 O ATOM 1161 CB ARG A 81 6.389 -0.700 -4.822 1.00 0.00 C ATOM 1162 CG ARG A 81 7.820 -0.229 -5.018 1.00 0.00 C ATOM 1163 CD ARG A 81 7.945 0.650 -6.250 1.00 0.00 C ATOM 1164 NE ARG A 81 9.340 0.881 -6.624 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.715 1.639 -7.656 1.00 0.00 C ATOM 1166 NH1 ARG A 81 8.800 2.159 -8.462 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.003 1.856 -7.898 1.00 0.00 N ATOM 0 H ARG A 81 4.052 -2.554 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 81 6.375 -1.347 -6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.722 0.162 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.295 -1.175 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.147 0.325 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.479 -1.091 -5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.420 0.182 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.457 1.607 -6.063 1.00 0.00 H new ATOM 0 HE ARG A 81 10.068 0.437 -6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.810 1.980 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.086 2.739 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.712 1.442 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.283 2.436 -8.689 1.00 0.00 H new ATOM 1178 N GLU A 82 7.795 -3.227 -5.689 1.00 0.00 N ATOM 1179 CA GLU A 82 8.441 -4.479 -5.373 1.00 0.00 C ATOM 1180 C GLU A 82 9.551 -4.249 -4.358 1.00 0.00 C ATOM 1181 O GLU A 82 10.323 -3.299 -4.489 1.00 0.00 O ATOM 1182 CB GLU A 82 9.029 -5.097 -6.647 1.00 0.00 C ATOM 1183 CG GLU A 82 9.862 -4.117 -7.465 1.00 0.00 C ATOM 1184 CD GLU A 82 10.592 -4.777 -8.615 1.00 0.00 C ATOM 1185 OE1 GLU A 82 11.510 -5.587 -8.360 1.00 0.00 O ATOM 1186 OE2 GLU A 82 10.259 -4.482 -9.782 1.00 0.00 O ATOM 0 H GLU A 82 8.434 -2.492 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 82 7.704 -5.161 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.649 -5.951 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.217 -5.477 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.212 -3.334 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.588 -3.632 -6.812 1.00 0.00 H new ATOM 1191 N ILE A 83 9.766 -5.217 -3.491 1.00 0.00 N ATOM 1192 CA ILE A 83 10.976 -5.210 -2.693 1.00 0.00 C ATOM 1193 C ILE A 83 11.904 -6.217 -3.309 1.00 0.00 C ATOM 1194 O ILE A 83 11.511 -7.370 -3.507 1.00 0.00 O ATOM 1195 CB ILE A 83 10.823 -5.615 -1.212 1.00 0.00 C ATOM 1196 CG1 ILE A 83 9.433 -6.155 -0.851 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.219 -4.458 -0.328 1.00 0.00 C ATOM 1198 CD1 ILE A 83 8.310 -5.150 -0.947 1.00 0.00 C ATOM 0 H ILE A 83 9.136 -6.001 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 83 11.324 -4.177 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 83 11.497 -6.454 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 83 9.205 -6.995 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 83 9.465 -6.545 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.110 -4.745 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.257 -4.189 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.576 -3.603 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.370 -5.628 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.506 -4.319 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.242 -4.776 -1.969 1.00 0.00 H new ATOM 1209 N SER A 84 13.122 -5.833 -3.596 1.00 0.00 N ATOM 1210 CA SER A 84 14.032 -6.806 -4.213 1.00 0.00 C ATOM 1211 C SER A 84 15.472 -6.578 -3.807 1.00 0.00 C ATOM 1212 O SER A 84 16.153 -5.722 -4.377 1.00 0.00 O ATOM 1213 CB SER A 84 13.908 -6.735 -5.743 1.00 0.00 C ATOM 1214 OG SER A 84 12.575 -6.978 -6.168 1.00 0.00 O ATOM 0 H SER A 84 13.508 -4.904 -3.429 1.00 0.00 H new ATOM 0 HA SER A 84 13.743 -7.796 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.228 -5.753 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.575 -7.467 -6.198 1.00 0.00 H new ATOM 0 HG SER A 84 12.369 -6.410 -6.939 1.00 0.00 H new ATOM 1219 N GLY A 85 15.922 -7.354 -2.813 1.00 0.00 N ATOM 1220 CA GLY A 85 17.258 -7.166 -2.265 1.00 0.00 C ATOM 1221 C GLY A 85 17.430 -5.721 -1.911 1.00 0.00 C ATOM 1222 O GLY A 85 18.323 -5.045 -2.423 1.00 0.00 O ATOM 0 H GLY A 85 15.385 -8.106 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.396 -7.791 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.011 -7.470 -2.992 1.00 0.00 H new ATOM 1226 N ASN A 86 16.345 -5.202 -1.370 1.00 0.00 N ATOM 1227 CA ASN A 86 16.101 -3.803 -1.341 1.00 0.00 C ATOM 1228 C ASN A 86 14.971 -3.556 -0.381 1.00 0.00 C ATOM 1229 O ASN A 86 14.367 -4.477 0.163 1.00 0.00 O ATOM 1230 CB ASN A 86 15.740 -3.270 -2.735 1.00 0.00 C ATOM 1231 CG ASN A 86 16.129 -1.815 -2.942 1.00 0.00 C ATOM 1232 OD1 ASN A 86 15.698 -0.925 -2.209 1.00 0.00 O ATOM 1233 ND2 ASN A 86 16.947 -1.564 -3.950 1.00 0.00 N ATOM 0 H ASN A 86 15.609 -5.760 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 86 17.002 -3.280 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.234 -3.882 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.667 -3.378 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.241 -0.606 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.284 -2.328 -4.536 1.00 0.00 H new ATOM 1239 N GLU A 87 14.745 -2.315 -0.174 1.00 0.00 N ATOM 1240 CA GLU A 87 13.768 -1.806 0.712 1.00 0.00 C ATOM 1241 C GLU A 87 12.594 -1.332 -0.130 1.00 0.00 C ATOM 1242 O GLU A 87 12.632 -1.453 -1.357 1.00 0.00 O ATOM 1243 CB GLU A 87 14.425 -0.698 1.495 1.00 0.00 C ATOM 1244 CG GLU A 87 15.896 -0.991 1.756 1.00 0.00 C ATOM 1245 CD GLU A 87 16.132 -1.624 3.106 1.00 0.00 C ATOM 1246 OE1 GLU A 87 15.881 -0.956 4.126 1.00 0.00 O ATOM 1247 OE2 GLU A 87 16.573 -2.788 3.157 1.00 0.00 O ATOM 0 H GLU A 87 15.270 -1.580 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 87 13.388 -2.542 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.332 0.240 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.906 -0.565 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.274 -1.653 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.465 -0.063 1.690 1.00 0.00 H new ATOM 1252 N LEU A 88 11.487 -1.050 0.504 1.00 0.00 N ATOM 1253 CA LEU A 88 10.246 -0.900 -0.231 1.00 0.00 C ATOM 1254 C LEU A 88 9.941 0.551 -0.548 1.00 0.00 C ATOM 1255 O LEU A 88 9.825 1.396 0.332 1.00 0.00 O ATOM 1256 CB LEU A 88 9.082 -1.490 0.573 1.00 0.00 C ATOM 1257 CG LEU A 88 7.694 -1.165 0.021 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.344 -2.061 -1.151 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.642 -1.260 1.114 1.00 0.00 C ATOM 0 H LEU A 88 11.412 -0.920 1.513 1.00 0.00 H new ATOM 0 HA LEU A 88 10.366 -1.436 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.198 -2.573 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.145 -1.125 1.598 1.00 0.00 H new ATOM 0 HG LEU A 88 7.712 -0.138 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.351 -1.805 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.075 -1.921 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.354 -3.102 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.663 -1.025 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.630 -2.271 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.878 -0.552 1.909 1.00 0.00 H new ATOM 1270 N ILE A 89 9.651 0.772 -1.813 1.00 0.00 N ATOM 1271 CA ILE A 89 9.186 2.054 -2.301 1.00 0.00 C ATOM 1272 C ILE A 89 7.675 1.932 -2.486 1.00 0.00 C ATOM 1273 O ILE A 89 7.140 0.834 -2.382 1.00 0.00 O ATOM 1274 CB ILE A 89 9.891 2.427 -3.646 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.402 2.607 -3.452 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.307 3.689 -4.265 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.183 1.311 -3.377 1.00 0.00 C ATOM 0 H ILE A 89 9.732 0.060 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 89 9.424 2.850 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 89 9.714 1.595 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.793 3.205 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.573 3.174 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.826 3.911 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.247 3.538 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.429 4.523 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.242 1.532 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.824 0.718 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.046 0.750 -4.301 1.00 0.00 H new ATOM 1288 N GLN A 90 6.964 3.031 -2.604 1.00 0.00 N ATOM 1289 CA GLN A 90 5.516 2.950 -2.690 1.00 0.00 C ATOM 1290 C GLN A 90 4.969 3.918 -3.727 1.00 0.00 C ATOM 1291 O GLN A 90 5.150 5.134 -3.614 1.00 0.00 O ATOM 1292 CB GLN A 90 4.900 3.231 -1.328 1.00 0.00 C ATOM 1293 CG GLN A 90 3.397 3.023 -1.282 1.00 0.00 C ATOM 1294 CD GLN A 90 2.820 3.338 0.079 1.00 0.00 C ATOM 1295 OE1 GLN A 90 2.937 4.462 0.569 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.191 2.354 0.699 1.00 0.00 N ATOM 0 H GLN A 90 7.350 3.974 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 90 5.249 1.941 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.370 2.585 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.124 4.259 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.921 3.655 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.166 1.990 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.117 1.438 0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.780 2.511 1.619 1.00 0.00 H new ATOM 1303 N THR A 91 4.313 3.366 -4.737 1.00 0.00 N ATOM 1304 CA THR A 91 3.748 4.160 -5.813 1.00 0.00 C ATOM 1305 C THR A 91 2.238 4.270 -5.683 1.00 0.00 C ATOM 1306 O THR A 91 1.544 3.257 -5.656 1.00 0.00 O ATOM 1307 CB THR A 91 4.057 3.534 -7.185 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.435 3.143 -7.244 1.00 0.00 O ATOM 1309 CG2 THR A 91 3.759 4.516 -8.302 1.00 0.00 C ATOM 0 H THR A 91 4.159 2.362 -4.832 1.00 0.00 H new ATOM 0 HA THR A 91 4.201 5.149 -5.741 1.00 0.00 H new ATOM 0 HB THR A 91 3.423 2.656 -7.313 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.504 2.171 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.984 4.053 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.705 4.793 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.373 5.408 -8.176 1.00 0.00 H new ATOM 1317 N TYR A 92 1.737 5.483 -5.825 1.00 0.00 N ATOM 1318 CA TYR A 92 0.315 5.703 -5.982 1.00 0.00 C ATOM 1319 C TYR A 92 0.032 6.016 -7.445 1.00 0.00 C ATOM 1320 O TYR A 92 0.480 7.035 -7.970 1.00 0.00 O ATOM 1321 CB TYR A 92 -0.184 6.846 -5.086 1.00 0.00 C ATOM 1322 CG TYR A 92 -0.417 6.454 -3.642 1.00 0.00 C ATOM 1323 CD1 TYR A 92 0.591 5.885 -2.874 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.655 6.662 -3.046 1.00 0.00 C ATOM 1325 CE1 TYR A 92 0.369 5.533 -1.555 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.884 6.312 -1.730 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.871 5.749 -0.991 1.00 0.00 C ATOM 1328 OH TYR A 92 -1.101 5.397 0.321 1.00 0.00 O ATOM 0 H TYR A 92 2.299 6.334 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.218 4.802 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.542 7.658 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.115 7.235 -5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.563 5.715 -3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.453 7.106 -3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.162 5.091 -0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.853 6.480 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.025 5.617 0.562 1.00 0.00 H new ATOM 1337 N THR A 93 -0.586 5.068 -8.125 1.00 0.00 N ATOM 1338 CA THR A 93 -0.838 5.179 -9.550 1.00 0.00 C ATOM 1339 C THR A 93 -2.293 5.554 -9.817 1.00 0.00 C ATOM 1340 O THR A 93 -3.212 4.992 -9.219 1.00 0.00 O ATOM 1341 CB THR A 93 -0.512 3.847 -10.261 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.824 3.439 -9.937 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.653 3.971 -11.771 1.00 0.00 C ATOM 0 H THR A 93 -0.926 4.202 -7.707 1.00 0.00 H new ATOM 0 HA THR A 93 -0.193 5.965 -9.943 1.00 0.00 H new ATOM 0 HB THR A 93 -1.225 3.099 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.026 2.593 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.416 3.015 -12.238 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.676 4.252 -12.019 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.032 4.735 -12.139 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.493 6.504 -10.717 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.826 6.950 -11.085 1.00 0.00 C ATOM 1353 C TYR A 94 -3.841 7.369 -12.548 1.00 0.00 C ATOM 1354 O TYR A 94 -3.068 8.238 -12.953 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.265 8.127 -10.204 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.564 8.762 -10.648 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.749 8.042 -10.642 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.602 10.079 -11.086 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -7.935 8.614 -11.063 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.780 10.658 -11.514 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.944 9.923 -11.500 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.118 10.492 -11.933 1.00 0.00 O ATOM 0 H TYR A 94 -1.740 6.985 -11.210 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.523 6.125 -10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.372 7.781 -9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.481 8.884 -10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.745 7.017 -10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.693 10.662 -11.092 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.850 8.040 -11.050 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.788 11.682 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.952 11.419 -12.205 1.00 0.00 H new ATOM 1371 N GLU A 95 -4.708 6.733 -13.332 1.00 0.00 N ATOM 1372 CA GLU A 95 -4.830 7.020 -14.762 1.00 0.00 C ATOM 1373 C GLU A 95 -3.477 6.842 -15.462 1.00 0.00 C ATOM 1374 O GLU A 95 -3.078 7.643 -16.307 1.00 0.00 O ATOM 1375 CB GLU A 95 -5.394 8.434 -14.975 1.00 0.00 C ATOM 1376 CG GLU A 95 -5.834 8.720 -16.404 1.00 0.00 C ATOM 1377 CD GLU A 95 -6.479 10.081 -16.559 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -7.593 10.281 -16.032 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -5.872 10.962 -17.207 1.00 0.00 O ATOM 0 H GLU A 95 -5.343 6.008 -12.998 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.528 6.311 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.245 8.578 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.636 9.163 -14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.970 8.655 -17.065 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.538 7.951 -16.723 1.00 0.00 H new ATOM 1384 N GLY A 96 -2.788 5.763 -15.113 1.00 0.00 N ATOM 1385 CA GLY A 96 -1.509 5.449 -15.728 1.00 0.00 C ATOM 1386 C GLY A 96 -0.396 6.409 -15.337 1.00 0.00 C ATOM 1387 O GLY A 96 0.676 6.399 -15.941 1.00 0.00 O ATOM 0 H GLY A 96 -3.095 5.093 -14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.219 4.436 -15.448 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.624 5.460 -16.812 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.621 7.201 -14.300 1.00 0.00 N ATOM 1392 CA VAL A 97 0.397 8.121 -13.809 1.00 0.00 C ATOM 1393 C VAL A 97 1.013 7.578 -12.536 1.00 0.00 C ATOM 1394 O VAL A 97 0.303 7.087 -11.657 1.00 0.00 O ATOM 1395 CB VAL A 97 -0.178 9.516 -13.516 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.932 10.499 -13.164 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.993 10.022 -14.696 1.00 0.00 C ATOM 0 H VAL A 97 -1.499 7.226 -13.781 1.00 0.00 H new ATOM 0 HA VAL A 97 1.149 8.214 -14.593 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.841 9.434 -12.655 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.500 11.479 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.463 10.147 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.628 10.576 -13.999 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.390 11.011 -14.467 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.356 10.083 -15.579 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.817 9.336 -14.890 1.00 0.00 H new ATOM 1407 N GLU A 98 2.328 7.648 -12.442 1.00 0.00 N ATOM 1408 CA GLU A 98 3.022 7.146 -11.278 1.00 0.00 C ATOM 1409 C GLU A 98 3.502 8.283 -10.380 1.00 0.00 C ATOM 1410 O GLU A 98 4.121 9.246 -10.842 1.00 0.00 O ATOM 1411 CB GLU A 98 4.190 6.242 -11.714 1.00 0.00 C ATOM 1412 CG GLU A 98 5.328 6.133 -10.708 1.00 0.00 C ATOM 1413 CD GLU A 98 6.431 5.198 -11.168 1.00 0.00 C ATOM 1414 OE1 GLU A 98 6.169 3.988 -11.332 1.00 0.00 O ATOM 1415 OE2 GLU A 98 7.570 5.665 -11.371 1.00 0.00 O ATOM 0 H GLU A 98 2.934 8.048 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 98 2.324 6.551 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.802 5.243 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.591 6.620 -12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.747 7.124 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.932 5.780 -9.755 1.00 0.00 H new ATOM 1420 N ALA A 99 3.258 8.122 -9.088 1.00 0.00 N ATOM 1421 CA ALA A 99 3.730 9.052 -8.074 1.00 0.00 C ATOM 1422 C ALA A 99 4.223 8.246 -6.884 1.00 0.00 C ATOM 1423 O ALA A 99 3.482 7.426 -6.348 1.00 0.00 O ATOM 1424 CB ALA A 99 2.618 10.000 -7.655 1.00 0.00 C ATOM 0 H ALA A 99 2.724 7.338 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 99 4.542 9.658 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.992 10.687 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.277 10.567 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.786 9.427 -7.247 1.00 0.00 H new ATOM 1430 N LYS A 100 5.516 8.304 -6.626 1.00 0.00 N ATOM 1431 CA LYS A 100 6.117 7.380 -5.675 1.00 0.00 C ATOM 1432 C LYS A 100 6.961 8.084 -4.623 1.00 0.00 C ATOM 1433 O LYS A 100 7.655 9.061 -4.905 1.00 0.00 O ATOM 1434 CB LYS A 100 6.970 6.351 -6.422 1.00 0.00 C ATOM 1435 CG LYS A 100 8.078 6.971 -7.258 1.00 0.00 C ATOM 1436 CD LYS A 100 8.669 5.977 -8.241 1.00 0.00 C ATOM 1437 CE LYS A 100 9.707 6.641 -9.130 1.00 0.00 C ATOM 1438 NZ LYS A 100 10.064 5.793 -10.296 1.00 0.00 N ATOM 0 H LYS A 100 6.163 8.968 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 100 5.301 6.883 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.412 5.665 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.325 5.759 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.685 7.830 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.864 7.343 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.126 5.150 -7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.875 5.553 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.324 7.599 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.603 6.851 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.823 6.252 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.390 4.863 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.229 5.669 -10.904 1.00 0.00 H new ATOM 1448 N ARG A 101 6.985 7.484 -3.447 1.00 0.00 N ATOM 1449 CA ARG A 101 7.851 7.912 -2.362 1.00 0.00 C ATOM 1450 C ARG A 101 8.721 6.727 -1.960 1.00 0.00 C ATOM 1451 O ARG A 101 8.288 5.579 -2.076 1.00 0.00 O ATOM 1452 CB ARG A 101 7.017 8.399 -1.169 1.00 0.00 C ATOM 1453 CG ARG A 101 7.836 8.960 -0.010 1.00 0.00 C ATOM 1454 CD ARG A 101 8.373 10.355 -0.303 1.00 0.00 C ATOM 1455 NE ARG A 101 9.003 10.960 0.875 1.00 0.00 N ATOM 1456 CZ ARG A 101 10.197 10.605 1.358 1.00 0.00 C ATOM 1457 NH1 ARG A 101 10.977 9.782 0.670 1.00 0.00 N ATOM 1458 NH2 ARG A 101 10.636 11.126 2.499 1.00 0.00 N ATOM 0 H ARG A 101 6.401 6.681 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 101 8.477 8.743 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.326 9.168 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.413 7.570 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.217 8.992 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.669 8.289 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.099 10.301 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 101 7.558 10.993 -0.646 1.00 0.00 H new ATOM 0 HE ARG A 101 8.496 11.701 1.358 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.666 9.418 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.888 9.513 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.061 11.798 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.548 10.854 2.866 1.00 0.00 H new ATOM 1469 N ILE A 102 9.970 6.982 -1.612 1.00 0.00 N ATOM 1470 CA ILE A 102 10.909 5.901 -1.358 1.00 0.00 C ATOM 1471 C ILE A 102 11.070 5.657 0.136 1.00 0.00 C ATOM 1472 O ILE A 102 11.330 6.579 0.913 1.00 0.00 O ATOM 1473 CB ILE A 102 12.291 6.206 -1.981 1.00 0.00 C ATOM 1474 CG1 ILE A 102 12.156 6.393 -3.495 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.283 5.093 -1.666 1.00 0.00 C ATOM 1476 CD1 ILE A 102 13.450 6.775 -4.177 1.00 0.00 C ATOM 0 H ILE A 102 10.356 7.919 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 102 10.502 5.003 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 102 12.671 7.130 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.783 5.468 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.410 7.163 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.248 5.328 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.397 5.002 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 102 12.914 4.151 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.277 6.890 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 102 13.814 7.716 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 102 14.193 5.995 -4.011 1.00 0.00 H new ATOM 1487 N PHE A 103 10.875 4.406 0.524 1.00 0.00 N ATOM 1488 CA PHE A 103 10.965 3.995 1.914 1.00 0.00 C ATOM 1489 C PHE A 103 11.999 2.890 2.059 1.00 0.00 C ATOM 1490 O PHE A 103 12.466 2.324 1.068 1.00 0.00 O ATOM 1491 CB PHE A 103 9.609 3.515 2.446 1.00 0.00 C ATOM 1492 CG PHE A 103 8.489 4.495 2.237 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.226 5.477 3.177 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.692 4.425 1.105 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.190 6.372 2.993 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.655 5.316 0.916 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.404 6.290 1.860 1.00 0.00 C ATOM 0 H PHE A 103 10.649 3.647 -0.119 1.00 0.00 H new ATOM 0 HA PHE A 103 11.269 4.860 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.351 2.575 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.702 3.307 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.838 5.544 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.885 3.665 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.995 7.134 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.041 5.251 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.593 6.988 1.713 1.00 0.00 H new ATOM 1506 N LYS A 104 12.351 2.588 3.289 1.00 0.00 N ATOM 1507 CA LYS A 104 13.306 1.539 3.565 1.00 0.00 C ATOM 1508 C LYS A 104 12.875 0.797 4.815 1.00 0.00 C ATOM 1509 O LYS A 104 12.002 1.276 5.527 1.00 0.00 O ATOM 1510 CB LYS A 104 14.726 2.110 3.721 1.00 0.00 C ATOM 1511 CG LYS A 104 15.072 2.616 5.118 1.00 0.00 C ATOM 1512 CD LYS A 104 14.240 3.822 5.529 1.00 0.00 C ATOM 1513 CE LYS A 104 14.684 4.356 6.883 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.507 3.352 7.964 1.00 0.00 N ATOM 0 H LYS A 104 11.987 3.058 4.118 1.00 0.00 H new ATOM 0 HA LYS A 104 13.331 0.845 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.444 1.338 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.851 2.930 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.920 1.813 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.129 2.880 5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.333 4.606 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.187 3.544 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.732 4.651 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.113 5.252 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.774 3.774 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.512 3.051 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.111 2.527 7.774 1.00 0.00 H new ATOM 1524 N LYS A 105 13.449 -0.372 5.061 1.00 0.00 N ATOM 1525 CA LYS A 105 13.090 -1.166 6.231 1.00 0.00 C ATOM 1526 C LYS A 105 13.247 -0.329 7.509 1.00 0.00 C ATOM 1527 O LYS A 105 14.206 0.430 7.643 1.00 0.00 O ATOM 1528 CB LYS A 105 13.947 -2.438 6.287 1.00 0.00 C ATOM 1529 CG LYS A 105 13.530 -3.420 7.370 1.00 0.00 C ATOM 1530 CD LYS A 105 14.390 -3.287 8.614 1.00 0.00 C ATOM 1531 CE LYS A 105 13.851 -4.133 9.754 1.00 0.00 C ATOM 1532 NZ LYS A 105 12.556 -3.609 10.267 1.00 0.00 N ATOM 0 H LYS A 105 14.164 -0.793 4.468 1.00 0.00 H new ATOM 0 HA LYS A 105 12.045 -1.466 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.899 -2.938 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 105 14.987 -2.156 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.485 -3.251 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.602 -4.437 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 105 15.412 -3.590 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 105 14.429 -2.242 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 105 13.718 -5.160 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 105 14.580 -4.158 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.162 -4.276 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.711 -2.687 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.889 -3.497 9.477 1.00 0.00 H new ATOM 1542 N GLU A 106 12.237 -0.374 8.369 1.00 0.00 N ATOM 1543 CA GLU A 106 12.198 0.463 9.564 1.00 0.00 C ATOM 1544 C GLU A 106 13.253 0.010 10.565 1.00 0.00 C ATOM 1545 O GLU A 106 13.183 -1.152 11.018 1.00 0.00 O ATOM 1546 CB GLU A 106 10.806 0.404 10.204 1.00 0.00 C ATOM 1547 CG GLU A 106 10.464 1.610 11.063 1.00 0.00 C ATOM 1548 CD GLU A 106 9.176 1.431 11.849 1.00 0.00 C ATOM 1549 OE1 GLU A 106 8.140 1.072 11.247 1.00 0.00 O ATOM 1550 OE2 GLU A 106 9.192 1.673 13.077 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.155 0.809 10.888 1.00 0.00 O ATOM 0 H GLU A 106 11.428 -0.986 8.261 1.00 0.00 H new ATOM 0 HA GLU A 106 12.411 1.492 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.059 0.310 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.738 -0.495 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.283 1.800 11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.375 2.490 10.426 1.00 0.00 H new TER 1556 GLU A 106