USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 105 ASN : amide:sc= 0.00447 X(o=0.0045,f=0.028) USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 102 THR OG1 : rot -79:sc= 1.27 USER MOD Set 2.2: A 111 ASN : amide:sc= 1.06 K(o=2.3,f=0.14) USER MOD Set 3.1: A 81 THR OG1 : rot -129:sc= 0.219 USER MOD Set 3.2: A 93 THR OG1 : rot -150:sc= 0.207 USER MOD Set 4.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 113 MET CE :methyl -124:sc= 0 (180deg=-0.761) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.13) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 43 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Set 7.1: A 30 GLN : amide:sc= 0.291 K(o=0.6,f=0) USER MOD Set 7.2: A 33 LYS NZ :NH3+ -159:sc= 0.312 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.645) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.00081 K(o=-0.00081,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.00122 K(o=0.0012,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 MET CE :methyl -132:sc= 0 (180deg=-0.974) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.365) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 53 THR OG1 : rot 51:sc= 0.0811 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.264 K(o=0.26,f=-3!) USER MOD Single : A 69 CYS SG : rot 1:sc= 0.0102 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.131 USER MOD Single : A 75 THR OG1 : rot -130:sc= -0.0618 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.338) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -178:sc=-0.00531 (180deg=-0.0163) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 153:sc= 0.789 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.623 -10.565 13.328 1.00 0.00 N ATOM 2 CA SER A 2 9.207 -10.728 14.727 1.00 0.00 C ATOM 3 C SER A 2 8.703 -9.367 15.268 1.00 0.00 C ATOM 4 O SER A 2 9.498 -8.466 15.554 1.00 0.00 O ATOM 5 CB SER A 2 10.367 -11.325 15.552 1.00 0.00 C ATOM 6 OG SER A 2 9.956 -11.578 16.890 1.00 0.00 O ATOM 0 HA SER A 2 8.379 -11.432 14.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.709 -12.251 15.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.212 -10.637 15.550 1.00 0.00 H new ATOM 0 HG SER A 2 10.705 -11.958 17.396 1.00 0.00 H new ATOM 12 N PHE A 3 7.373 -9.238 15.416 1.00 0.00 N ATOM 13 CA PHE A 3 6.717 -7.969 15.857 1.00 0.00 C ATOM 14 C PHE A 3 6.866 -7.550 17.358 1.00 0.00 C ATOM 15 O PHE A 3 6.461 -6.430 17.684 1.00 0.00 O ATOM 16 CB PHE A 3 5.211 -8.022 15.462 1.00 0.00 C ATOM 17 CG PHE A 3 4.890 -7.823 13.969 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.759 -6.531 13.449 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.682 -8.924 13.132 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.437 -6.343 12.106 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.347 -8.733 11.794 1.00 0.00 C ATOM 22 CZ PHE A 3 4.236 -7.444 11.280 1.00 0.00 C ATOM 0 H PHE A 3 6.716 -9.998 15.238 1.00 0.00 H new ATOM 0 HA PHE A 3 7.268 -7.186 15.335 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.810 -8.987 15.773 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.681 -7.258 16.031 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.908 -5.675 14.091 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.781 -9.925 13.525 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.344 -5.344 11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.173 -9.586 11.154 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.993 -7.299 10.238 1.00 0.00 H new ATOM 32 N SER A 4 7.442 -8.379 18.259 1.00 0.00 N ATOM 33 CA SER A 4 7.525 -8.076 19.711 1.00 0.00 C ATOM 34 C SER A 4 8.514 -6.909 20.013 1.00 0.00 C ATOM 35 O SER A 4 9.732 -7.061 19.868 1.00 0.00 O ATOM 36 CB SER A 4 7.894 -9.370 20.471 1.00 0.00 C ATOM 37 OG SER A 4 7.781 -9.178 21.876 1.00 0.00 O ATOM 0 H SER A 4 7.861 -9.273 18.004 1.00 0.00 H new ATOM 0 HA SER A 4 6.552 -7.727 20.058 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.239 -10.182 20.156 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.912 -9.667 20.220 1.00 0.00 H new ATOM 0 HG SER A 4 8.017 -10.009 22.340 1.00 0.00 H new ATOM 43 N GLY A 5 7.959 -5.749 20.402 1.00 0.00 N ATOM 44 CA GLY A 5 8.750 -4.518 20.588 1.00 0.00 C ATOM 45 C GLY A 5 7.897 -3.247 20.781 1.00 0.00 C ATOM 46 O GLY A 5 6.735 -3.162 20.370 1.00 0.00 O ATOM 0 H GLY A 5 6.964 -5.637 20.594 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.399 -4.643 21.455 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.398 -4.380 19.722 1.00 0.00 H new ATOM 50 N LYS A 6 8.549 -2.237 21.376 1.00 0.00 N ATOM 51 CA LYS A 6 7.981 -0.874 21.570 1.00 0.00 C ATOM 52 C LYS A 6 8.543 0.081 20.477 1.00 0.00 C ATOM 53 O LYS A 6 9.762 0.234 20.341 1.00 0.00 O ATOM 54 CB LYS A 6 8.223 -0.370 23.023 1.00 0.00 C ATOM 55 CG LYS A 6 9.678 -0.347 23.564 1.00 0.00 C ATOM 56 CD LYS A 6 9.837 0.076 25.042 1.00 0.00 C ATOM 57 CE LYS A 6 9.759 1.584 25.360 1.00 0.00 C ATOM 58 NZ LYS A 6 8.389 2.129 25.336 1.00 0.00 N ATOM 0 H LYS A 6 9.496 -2.334 21.743 1.00 0.00 H new ATOM 0 HA LYS A 6 6.898 -0.901 21.448 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.827 0.643 23.093 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.629 -0.992 23.693 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.107 -1.341 23.442 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.265 0.332 22.946 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.066 -0.431 25.623 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.799 -0.294 25.397 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.193 1.761 26.344 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.369 2.129 24.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.310 2.901 26.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.177 2.494 24.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.712 1.377 25.577 1.00 0.00 H new ATOM 72 N TYR A 7 7.641 0.687 19.685 1.00 0.00 N ATOM 73 CA TYR A 7 8.014 1.449 18.460 1.00 0.00 C ATOM 74 C TYR A 7 7.323 2.839 18.523 1.00 0.00 C ATOM 75 O TYR A 7 6.108 2.952 18.338 1.00 0.00 O ATOM 76 CB TYR A 7 7.599 0.684 17.170 1.00 0.00 C ATOM 77 CG TYR A 7 8.304 -0.657 16.882 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.758 -1.850 17.376 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.412 -0.716 16.030 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.306 -3.077 17.016 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.950 -1.946 15.661 1.00 0.00 C ATOM 82 CZ TYR A 7 9.395 -3.127 16.151 1.00 0.00 C ATOM 83 OH TYR A 7 9.919 -4.336 15.776 1.00 0.00 O ATOM 0 H TYR A 7 6.637 0.668 19.866 1.00 0.00 H new ATOM 0 HA TYR A 7 9.097 1.571 18.422 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.526 0.497 17.220 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.768 1.343 16.318 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.907 -1.816 18.040 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.852 0.197 15.657 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.886 -3.991 17.408 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.799 -1.985 14.994 1.00 0.00 H new ATOM 0 HH TYR A 7 10.674 -4.191 15.168 1.00 0.00 H new ATOM 93 N GLN A 8 8.117 3.898 18.769 1.00 0.00 N ATOM 94 CA GLN A 8 7.621 5.299 18.846 1.00 0.00 C ATOM 95 C GLN A 8 7.427 5.893 17.426 1.00 0.00 C ATOM 96 O GLN A 8 8.301 5.778 16.561 1.00 0.00 O ATOM 97 CB GLN A 8 8.594 6.156 19.708 1.00 0.00 C ATOM 98 CG GLN A 8 8.298 7.672 19.874 1.00 0.00 C ATOM 99 CD GLN A 8 6.964 8.034 20.561 1.00 0.00 C ATOM 100 OE1 GLN A 8 5.880 7.727 20.067 1.00 0.00 O ATOM 101 NE2 GLN A 8 6.995 8.708 21.698 1.00 0.00 N ATOM 0 H GLN A 8 9.122 3.814 18.921 1.00 0.00 H new ATOM 0 HA GLN A 8 6.645 5.308 19.330 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.631 5.715 20.704 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.591 6.058 19.279 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.111 8.119 20.446 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.312 8.134 18.887 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.890 8.966 22.114 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.124 8.970 22.160 1.00 0.00 H new ATOM 110 N LEU A 9 6.291 6.590 17.245 1.00 0.00 N ATOM 111 CA LEU A 9 5.967 7.322 15.999 1.00 0.00 C ATOM 112 C LEU A 9 6.941 8.509 15.750 1.00 0.00 C ATOM 113 O LEU A 9 7.008 9.459 16.531 1.00 0.00 O ATOM 114 CB LEU A 9 4.488 7.797 16.085 1.00 0.00 C ATOM 115 CG LEU A 9 3.875 8.420 14.801 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.793 7.394 13.658 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.478 8.999 15.101 1.00 0.00 C ATOM 0 H LEU A 9 5.567 6.664 17.959 1.00 0.00 H new ATOM 0 HA LEU A 9 6.090 6.656 15.145 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.874 6.944 16.375 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.413 8.531 16.887 1.00 0.00 H new ATOM 0 HG LEU A 9 4.533 9.227 14.477 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.359 7.866 12.776 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.794 7.033 13.421 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.168 6.556 13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.061 9.432 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.823 8.204 15.458 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.561 9.771 15.866 1.00 0.00 H new ATOM 129 N GLN A 10 7.677 8.420 14.636 1.00 0.00 N ATOM 130 CA GLN A 10 8.613 9.472 14.173 1.00 0.00 C ATOM 131 C GLN A 10 7.876 10.555 13.329 1.00 0.00 C ATOM 132 O GLN A 10 7.854 11.719 13.742 1.00 0.00 O ATOM 133 CB GLN A 10 9.756 8.740 13.416 1.00 0.00 C ATOM 134 CG GLN A 10 10.945 9.616 12.962 1.00 0.00 C ATOM 135 CD GLN A 10 11.854 8.868 11.977 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.770 9.053 10.763 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.709 7.984 12.465 1.00 0.00 N ATOM 0 H GLN A 10 7.645 7.609 14.018 1.00 0.00 H new ATOM 0 HA GLN A 10 9.040 10.035 15.003 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.140 7.948 14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.330 8.258 12.536 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.569 10.525 12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.525 9.923 13.832 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.772 7.837 13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.305 7.449 11.834 1.00 0.00 H new ATOM 146 N SER A 11 7.311 10.184 12.159 1.00 0.00 N ATOM 147 CA SER A 11 6.682 11.142 11.217 1.00 0.00 C ATOM 148 C SER A 11 5.462 10.457 10.550 1.00 0.00 C ATOM 149 O SER A 11 5.593 9.400 9.921 1.00 0.00 O ATOM 150 CB SER A 11 7.717 11.609 10.167 1.00 0.00 C ATOM 151 OG SER A 11 7.171 12.630 9.340 1.00 0.00 O ATOM 0 H SER A 11 7.277 9.216 11.840 1.00 0.00 H new ATOM 0 HA SER A 11 6.337 12.027 11.751 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.610 11.981 10.670 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.026 10.763 9.553 1.00 0.00 H new ATOM 0 HG SER A 11 7.842 12.913 8.684 1.00 0.00 H new ATOM 157 N GLN A 12 4.286 11.096 10.681 1.00 0.00 N ATOM 158 CA GLN A 12 3.010 10.601 10.104 1.00 0.00 C ATOM 159 C GLN A 12 2.505 11.544 8.970 1.00 0.00 C ATOM 160 O GLN A 12 2.621 12.772 9.048 1.00 0.00 O ATOM 161 CB GLN A 12 1.942 10.313 11.197 1.00 0.00 C ATOM 162 CG GLN A 12 1.319 11.479 12.000 1.00 0.00 C ATOM 163 CD GLN A 12 2.144 12.111 13.141 1.00 0.00 C ATOM 164 OE1 GLN A 12 3.304 11.792 13.402 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.530 13.022 13.877 1.00 0.00 N ATOM 0 H GLN A 12 4.187 11.974 11.191 1.00 0.00 H new ATOM 0 HA GLN A 12 3.204 9.635 9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.123 9.777 10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.392 9.629 11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.068 12.271 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.381 11.124 12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.569 13.288 13.662 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.018 13.459 14.659 1.00 0.00 H new ATOM 174 N GLU A 13 1.927 10.934 7.921 1.00 0.00 N ATOM 175 CA GLU A 13 1.498 11.643 6.686 1.00 0.00 C ATOM 176 C GLU A 13 0.199 12.491 6.845 1.00 0.00 C ATOM 177 O GLU A 13 0.257 13.702 6.617 1.00 0.00 O ATOM 178 CB GLU A 13 1.446 10.601 5.532 1.00 0.00 C ATOM 179 CG GLU A 13 1.127 11.126 4.116 1.00 0.00 C ATOM 180 CD GLU A 13 2.136 12.136 3.559 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.171 11.712 2.999 1.00 0.00 O ATOM 182 OE2 GLU A 13 1.898 13.357 3.687 1.00 0.00 O ATOM 0 H GLU A 13 1.740 9.932 7.898 1.00 0.00 H new ATOM 0 HA GLU A 13 2.234 12.410 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.409 10.092 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.699 9.850 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.070 10.278 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.141 11.590 4.130 1.00 0.00 H new ATOM 189 N ASN A 14 -0.948 11.866 7.178 1.00 0.00 N ATOM 190 CA ASN A 14 -2.273 12.546 7.179 1.00 0.00 C ATOM 191 C ASN A 14 -3.017 12.245 8.507 1.00 0.00 C ATOM 192 O ASN A 14 -3.996 11.494 8.533 1.00 0.00 O ATOM 193 CB ASN A 14 -3.089 12.109 5.923 1.00 0.00 C ATOM 194 CG ASN A 14 -2.656 12.710 4.566 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.068 13.788 4.480 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.964 12.032 3.473 1.00 0.00 N ATOM 0 H ASN A 14 -0.990 10.885 7.453 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.142 13.627 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.037 11.023 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.135 12.367 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.714 12.402 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.451 11.139 3.547 1.00 0.00 H new ATOM 203 N PHE A 15 -2.573 12.871 9.614 1.00 0.00 N ATOM 204 CA PHE A 15 -3.297 12.817 10.918 1.00 0.00 C ATOM 205 C PHE A 15 -4.613 13.661 10.913 1.00 0.00 C ATOM 206 O PHE A 15 -5.669 13.122 11.255 1.00 0.00 O ATOM 207 CB PHE A 15 -2.334 13.182 12.088 1.00 0.00 C ATOM 208 CG PHE A 15 -2.865 12.837 13.496 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.790 13.676 14.133 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.472 11.651 14.127 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.350 13.308 15.352 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.015 11.298 15.359 1.00 0.00 C ATOM 213 CZ PHE A 15 -3.963 12.118 15.965 1.00 0.00 C ATOM 0 H PHE A 15 -1.716 13.423 9.640 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.628 11.791 11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.387 12.664 11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.123 14.251 12.046 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.069 14.613 13.675 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.744 11.007 13.656 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.084 13.944 15.823 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.700 10.387 15.846 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.399 11.832 16.911 1.00 0.00 H new ATOM 223 N GLU A 16 -4.547 14.963 10.557 1.00 0.00 N ATOM 224 CA GLU A 16 -5.722 15.884 10.586 1.00 0.00 C ATOM 225 C GLU A 16 -6.865 15.523 9.589 1.00 0.00 C ATOM 226 O GLU A 16 -8.029 15.481 9.996 1.00 0.00 O ATOM 227 CB GLU A 16 -5.293 17.369 10.411 1.00 0.00 C ATOM 228 CG GLU A 16 -4.495 17.999 11.577 1.00 0.00 C ATOM 229 CD GLU A 16 -2.988 17.728 11.558 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.249 18.459 10.862 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.535 16.787 12.243 1.00 0.00 O ATOM 0 H GLU A 16 -3.686 15.410 10.242 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.147 15.747 11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.692 17.446 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.190 17.967 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.654 19.077 11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.903 17.628 12.517 1.00 0.00 H new ATOM 238 N ALA A 17 -6.526 15.252 8.314 1.00 0.00 N ATOM 239 CA ALA A 17 -7.502 14.804 7.285 1.00 0.00 C ATOM 240 C ALA A 17 -8.181 13.428 7.549 1.00 0.00 C ATOM 241 O ALA A 17 -9.399 13.326 7.384 1.00 0.00 O ATOM 242 CB ALA A 17 -6.808 14.828 5.908 1.00 0.00 C ATOM 0 H ALA A 17 -5.572 15.335 7.963 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.334 15.508 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.510 14.502 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.474 15.842 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.949 14.157 5.922 1.00 0.00 H new ATOM 248 N PHE A 18 -7.418 12.398 7.972 1.00 0.00 N ATOM 249 CA PHE A 18 -7.967 11.055 8.311 1.00 0.00 C ATOM 250 C PHE A 18 -8.902 11.045 9.555 1.00 0.00 C ATOM 251 O PHE A 18 -10.005 10.509 9.447 1.00 0.00 O ATOM 252 CB PHE A 18 -6.780 10.060 8.438 1.00 0.00 C ATOM 253 CG PHE A 18 -7.148 8.576 8.604 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.450 7.786 7.489 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.171 8.000 9.880 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.792 6.446 7.652 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.505 6.658 10.038 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.823 5.886 8.926 1.00 0.00 C ATOM 0 H PHE A 18 -6.407 12.467 8.090 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.625 10.740 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.154 10.160 7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.173 10.359 9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.418 8.217 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.929 8.599 10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.033 5.841 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.517 6.217 11.024 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.095 4.848 9.051 1.00 0.00 H new ATOM 268 N MET A 19 -8.474 11.620 10.701 1.00 0.00 N ATOM 269 CA MET A 19 -9.310 11.690 11.936 1.00 0.00 C ATOM 270 C MET A 19 -10.619 12.536 11.824 1.00 0.00 C ATOM 271 O MET A 19 -11.638 12.124 12.386 1.00 0.00 O ATOM 272 CB MET A 19 -8.468 12.133 13.163 1.00 0.00 C ATOM 273 CG MET A 19 -7.564 11.071 13.809 1.00 0.00 C ATOM 274 SD MET A 19 -6.349 10.409 12.657 1.00 0.00 S ATOM 275 CE MET A 19 -5.745 9.021 13.632 1.00 0.00 C ATOM 0 H MET A 19 -7.553 12.046 10.803 1.00 0.00 H new ATOM 0 HA MET A 19 -9.657 10.667 12.079 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.842 12.972 12.859 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.151 12.506 13.926 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.049 11.508 14.664 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.180 10.257 14.190 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.655 9.021 13.629 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.105 9.112 14.657 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.109 8.088 13.201 1.00 0.00 H new ATOM 285 N LYS A 20 -10.614 13.668 11.088 1.00 0.00 N ATOM 286 CA LYS A 20 -11.857 14.415 10.739 1.00 0.00 C ATOM 287 C LYS A 20 -12.833 13.653 9.782 1.00 0.00 C ATOM 288 O LYS A 20 -14.043 13.670 10.024 1.00 0.00 O ATOM 289 CB LYS A 20 -11.466 15.813 10.180 1.00 0.00 C ATOM 290 CG LYS A 20 -12.600 16.859 10.254 1.00 0.00 C ATOM 291 CD LYS A 20 -12.161 18.263 9.787 1.00 0.00 C ATOM 292 CE LYS A 20 -13.251 19.347 9.899 1.00 0.00 C ATOM 293 NZ LYS A 20 -14.335 19.179 8.912 1.00 0.00 N ATOM 0 H LYS A 20 -9.763 14.092 10.719 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.432 14.526 11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.605 16.186 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.154 15.703 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.436 16.524 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.963 16.921 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.297 18.573 10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.835 18.201 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.675 19.326 10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.795 20.328 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.037 19.936 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.940 19.227 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.793 18.256 9.053 1.00 0.00 H new ATOM 307 N ALA A 21 -12.316 12.996 8.720 1.00 0.00 N ATOM 308 CA ALA A 21 -13.140 12.220 7.754 1.00 0.00 C ATOM 309 C ALA A 21 -13.840 10.940 8.299 1.00 0.00 C ATOM 310 O ALA A 21 -14.999 10.701 7.952 1.00 0.00 O ATOM 311 CB ALA A 21 -12.274 11.882 6.526 1.00 0.00 C ATOM 0 H ALA A 21 -11.319 12.986 8.505 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.976 12.872 7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.866 11.313 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.928 12.804 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.415 11.289 6.839 1.00 0.00 H new ATOM 317 N ILE A 22 -13.164 10.145 9.154 1.00 0.00 N ATOM 318 CA ILE A 22 -13.785 8.998 9.890 1.00 0.00 C ATOM 319 C ILE A 22 -14.928 9.401 10.890 1.00 0.00 C ATOM 320 O ILE A 22 -15.943 8.702 10.943 1.00 0.00 O ATOM 321 CB ILE A 22 -12.700 8.070 10.549 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.879 8.777 11.674 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.803 7.383 9.485 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.759 7.978 12.350 1.00 0.00 C ATOM 0 H ILE A 22 -12.173 10.271 9.361 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.296 8.412 9.126 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.247 7.276 11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.438 9.679 11.250 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.577 9.096 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.067 6.751 9.983 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.421 6.771 8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.290 8.143 8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.278 8.596 13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.179 7.089 12.820 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.023 7.681 11.603 1.00 0.00 H new ATOM 336 N GLY A 23 -14.759 10.500 11.654 1.00 0.00 N ATOM 337 CA GLY A 23 -15.794 11.031 12.567 1.00 0.00 C ATOM 338 C GLY A 23 -15.266 11.273 13.991 1.00 0.00 C ATOM 339 O GLY A 23 -15.663 10.556 14.914 1.00 0.00 O ATOM 0 H GLY A 23 -13.898 11.047 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.182 11.967 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.629 10.332 12.608 1.00 0.00 H new ATOM 343 N LEU A 24 -14.416 12.302 14.170 1.00 0.00 N ATOM 344 CA LEU A 24 -13.956 12.755 15.514 1.00 0.00 C ATOM 345 C LEU A 24 -14.056 14.314 15.648 1.00 0.00 C ATOM 346 O LEU A 24 -13.842 15.017 14.652 1.00 0.00 O ATOM 347 CB LEU A 24 -12.498 12.297 15.824 1.00 0.00 C ATOM 348 CG LEU A 24 -12.286 10.798 16.182 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.780 10.490 16.293 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.997 10.387 17.492 1.00 0.00 C ATOM 0 H LEU A 24 -14.026 12.845 13.399 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.619 12.287 16.242 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.879 12.528 14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.124 12.899 16.652 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.732 10.216 15.376 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.641 9.438 16.544 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.294 10.703 15.341 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.338 11.110 17.073 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.813 9.331 17.690 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.611 10.984 18.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.069 10.556 17.393 1.00 0.00 H new ATOM 362 N PRO A 25 -14.315 14.907 16.855 1.00 0.00 N ATOM 363 CA PRO A 25 -14.290 16.379 17.062 1.00 0.00 C ATOM 364 C PRO A 25 -12.868 17.009 16.986 1.00 0.00 C ATOM 365 O PRO A 25 -11.854 16.347 17.232 1.00 0.00 O ATOM 366 CB PRO A 25 -14.917 16.525 18.466 1.00 0.00 C ATOM 367 CG PRO A 25 -14.607 15.217 19.191 1.00 0.00 C ATOM 368 CD PRO A 25 -14.655 14.163 18.086 1.00 0.00 C ATOM 0 HA PRO A 25 -14.824 16.914 16.277 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.494 17.378 18.997 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.992 16.692 18.400 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.629 15.248 19.671 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.339 15.010 19.972 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.944 13.358 18.273 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.642 13.706 18.015 1.00 0.00 H new ATOM 376 N GLU A 26 -12.830 18.315 16.673 1.00 0.00 N ATOM 377 CA GLU A 26 -11.561 19.091 16.545 1.00 0.00 C ATOM 378 C GLU A 26 -10.686 19.254 17.834 1.00 0.00 C ATOM 379 O GLU A 26 -9.475 19.449 17.705 1.00 0.00 O ATOM 380 CB GLU A 26 -11.905 20.450 15.868 1.00 0.00 C ATOM 381 CG GLU A 26 -10.748 21.171 15.139 1.00 0.00 C ATOM 382 CD GLU A 26 -10.251 20.446 13.880 1.00 0.00 C ATOM 383 OE1 GLU A 26 -10.819 20.671 12.789 1.00 0.00 O ATOM 384 OE2 GLU A 26 -9.296 19.643 13.978 1.00 0.00 O ATOM 0 H GLU A 26 -13.668 18.871 16.500 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.892 18.494 15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.707 20.280 15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.298 21.121 16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.076 22.173 14.862 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.914 21.288 15.831 1.00 0.00 H new ATOM 391 N GLU A 27 -11.259 19.123 19.051 1.00 0.00 N ATOM 392 CA GLU A 27 -10.488 19.015 20.321 1.00 0.00 C ATOM 393 C GLU A 27 -9.541 17.767 20.394 1.00 0.00 C ATOM 394 O GLU A 27 -8.356 17.943 20.693 1.00 0.00 O ATOM 395 CB GLU A 27 -11.507 19.096 21.492 1.00 0.00 C ATOM 396 CG GLU A 27 -10.879 19.225 22.895 1.00 0.00 C ATOM 397 CD GLU A 27 -11.924 19.297 24.012 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.323 18.233 24.536 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.351 20.416 24.371 1.00 0.00 O ATOM 0 H GLU A 27 -12.269 19.089 19.186 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.784 19.845 20.386 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.163 19.950 21.324 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.133 18.204 21.471 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.222 18.373 23.073 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.257 20.120 22.928 1.00 0.00 H new ATOM 406 N LEU A 28 -10.036 16.545 20.100 1.00 0.00 N ATOM 407 CA LEU A 28 -9.190 15.318 20.000 1.00 0.00 C ATOM 408 C LEU A 28 -8.168 15.293 18.816 1.00 0.00 C ATOM 409 O LEU A 28 -7.063 14.774 18.994 1.00 0.00 O ATOM 410 CB LEU A 28 -10.106 14.058 19.956 1.00 0.00 C ATOM 411 CG LEU A 28 -10.962 13.760 21.223 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.010 12.670 20.930 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.108 13.353 22.442 1.00 0.00 C ATOM 0 H LEU A 28 -11.026 16.373 19.925 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.567 15.322 20.894 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.782 14.160 19.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.478 13.189 19.760 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.467 14.692 21.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.596 12.478 21.829 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.671 13.006 20.131 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.506 11.754 20.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.759 13.158 23.294 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.541 12.453 22.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.419 14.161 22.689 1.00 0.00 H new ATOM 425 N ILE A 29 -8.517 15.852 17.636 1.00 0.00 N ATOM 426 CA ILE A 29 -7.610 15.951 16.451 1.00 0.00 C ATOM 427 C ILE A 29 -6.384 16.890 16.731 1.00 0.00 C ATOM 428 O ILE A 29 -5.240 16.454 16.574 1.00 0.00 O ATOM 429 CB ILE A 29 -8.413 16.355 15.158 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.633 15.437 14.839 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.501 16.420 13.905 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.673 16.030 13.881 1.00 0.00 C ATOM 0 H ILE A 29 -9.440 16.252 17.469 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.190 14.963 16.263 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.802 17.345 15.394 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.262 14.505 14.413 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.130 15.184 15.776 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.096 16.702 13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.717 17.160 14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.049 15.443 13.733 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.478 15.311 13.727 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.081 16.946 14.309 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.200 16.255 12.925 1.00 0.00 H new ATOM 444 N GLN A 30 -6.624 18.156 17.134 1.00 0.00 N ATOM 445 CA GLN A 30 -5.541 19.130 17.467 1.00 0.00 C ATOM 446 C GLN A 30 -4.705 18.839 18.761 1.00 0.00 C ATOM 447 O GLN A 30 -3.589 19.353 18.872 1.00 0.00 O ATOM 448 CB GLN A 30 -6.120 20.576 17.507 1.00 0.00 C ATOM 449 CG GLN A 30 -6.865 21.100 16.251 1.00 0.00 C ATOM 450 CD GLN A 30 -6.018 21.264 14.979 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.419 22.312 14.744 1.00 0.00 O ATOM 452 NE2 GLN A 30 -5.969 20.255 14.122 1.00 0.00 N ATOM 0 H GLN A 30 -7.564 18.538 17.240 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.818 19.014 16.660 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.806 20.637 18.351 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.297 21.259 17.716 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.686 20.418 16.030 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.309 22.065 16.494 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.469 19.389 14.325 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.432 20.344 13.260 1.00 0.00 H new ATOM 461 N LYS A 31 -5.195 18.006 19.705 1.00 0.00 N ATOM 462 CA LYS A 31 -4.363 17.418 20.792 1.00 0.00 C ATOM 463 C LYS A 31 -3.347 16.341 20.280 1.00 0.00 C ATOM 464 O LYS A 31 -2.157 16.448 20.597 1.00 0.00 O ATOM 465 CB LYS A 31 -5.319 16.906 21.909 1.00 0.00 C ATOM 466 CG LYS A 31 -4.618 16.408 23.193 1.00 0.00 C ATOM 467 CD LYS A 31 -5.587 16.086 24.346 1.00 0.00 C ATOM 468 CE LYS A 31 -4.843 15.635 25.617 1.00 0.00 C ATOM 469 NZ LYS A 31 -5.771 15.387 26.735 1.00 0.00 N ATOM 0 H LYS A 31 -6.173 17.720 19.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.715 18.187 21.211 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.004 17.710 22.176 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.923 16.094 21.505 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.040 15.515 22.957 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.910 17.167 23.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.188 16.967 24.571 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.276 15.302 24.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.278 14.727 25.405 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.121 16.399 25.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.233 15.085 27.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.292 16.260 26.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.444 14.640 26.468 1.00 0.00 H new ATOM 483 N GLY A 32 -3.798 15.329 19.510 1.00 0.00 N ATOM 484 CA GLY A 32 -2.918 14.244 19.007 1.00 0.00 C ATOM 485 C GLY A 32 -1.973 14.499 17.803 1.00 0.00 C ATOM 486 O GLY A 32 -1.185 13.601 17.493 1.00 0.00 O ATOM 0 H GLY A 32 -4.771 15.237 19.220 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.297 13.919 19.842 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.560 13.404 18.741 1.00 0.00 H new ATOM 490 N LYS A 33 -2.011 15.677 17.144 1.00 0.00 N ATOM 491 CA LYS A 33 -1.029 16.056 16.083 1.00 0.00 C ATOM 492 C LYS A 33 0.454 16.167 16.577 1.00 0.00 C ATOM 493 O LYS A 33 1.345 15.562 15.975 1.00 0.00 O ATOM 494 CB LYS A 33 -1.522 17.298 15.284 1.00 0.00 C ATOM 495 CG LYS A 33 -1.607 18.643 16.041 1.00 0.00 C ATOM 496 CD LYS A 33 -2.052 19.836 15.175 1.00 0.00 C ATOM 497 CE LYS A 33 -2.049 21.150 15.978 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.313 22.318 15.121 1.00 0.00 N ATOM 0 H LYS A 33 -2.714 16.393 17.324 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.992 15.219 15.386 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.859 17.434 14.430 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.512 17.072 14.887 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.303 18.534 16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.630 18.866 16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.387 19.932 14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.052 19.650 14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.804 21.098 16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.085 21.272 16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.963 23.178 15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.827 22.197 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.337 22.405 14.958 1.00 0.00 H new ATOM 512 N ASP A 34 0.693 16.898 17.684 1.00 0.00 N ATOM 513 CA ASP A 34 2.006 16.945 18.385 1.00 0.00 C ATOM 514 C ASP A 34 2.377 15.678 19.224 1.00 0.00 C ATOM 515 O ASP A 34 3.561 15.335 19.286 1.00 0.00 O ATOM 516 CB ASP A 34 2.116 18.259 19.212 1.00 0.00 C ATOM 517 CG ASP A 34 1.148 18.439 20.401 1.00 0.00 C ATOM 518 OD1 ASP A 34 -0.029 18.801 20.179 1.00 0.00 O ATOM 519 OD2 ASP A 34 1.567 18.212 21.558 1.00 0.00 O ATOM 0 H ASP A 34 -0.020 17.479 18.125 1.00 0.00 H new ATOM 0 HA ASP A 34 2.761 16.941 17.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.134 18.331 19.594 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.971 19.098 18.531 1.00 0.00 H new ATOM 524 N ILE A 35 1.397 15.007 19.873 1.00 0.00 N ATOM 525 CA ILE A 35 1.650 13.865 20.798 1.00 0.00 C ATOM 526 C ILE A 35 1.838 12.581 19.927 1.00 0.00 C ATOM 527 O ILE A 35 0.927 12.145 19.216 1.00 0.00 O ATOM 528 CB ILE A 35 0.517 13.736 21.879 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.313 15.031 22.730 1.00 0.00 C ATOM 530 CG2 ILE A 35 0.754 12.525 22.824 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.970 15.085 23.576 1.00 0.00 C ATOM 0 H ILE A 35 0.408 15.238 19.774 1.00 0.00 H new ATOM 0 HA ILE A 35 2.560 14.028 21.376 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.397 13.574 21.308 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.169 15.143 23.396 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.318 15.889 22.057 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.052 12.472 23.556 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.774 11.605 22.239 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.706 12.647 23.340 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.006 16.027 24.123 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.840 15.012 22.923 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.975 14.255 24.282 1.00 0.00 H new ATOM 543 N LYS A 36 3.046 12.002 20.018 1.00 0.00 N ATOM 544 CA LYS A 36 3.476 10.849 19.184 1.00 0.00 C ATOM 545 C LYS A 36 3.166 9.520 19.929 1.00 0.00 C ATOM 546 O LYS A 36 3.550 9.340 21.090 1.00 0.00 O ATOM 547 CB LYS A 36 4.993 10.994 18.876 1.00 0.00 C ATOM 548 CG LYS A 36 5.350 12.124 17.879 1.00 0.00 C ATOM 549 CD LYS A 36 6.847 12.507 17.897 1.00 0.00 C ATOM 550 CE LYS A 36 7.258 13.568 16.858 1.00 0.00 C ATOM 551 NZ LYS A 36 6.718 14.911 17.149 1.00 0.00 N ATOM 0 H LYS A 36 3.762 12.316 20.673 1.00 0.00 H new ATOM 0 HA LYS A 36 2.930 10.833 18.241 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.523 11.173 19.811 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.360 10.048 18.478 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.075 11.810 16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.754 13.006 18.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.101 12.876 18.891 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.439 11.607 17.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.346 13.623 16.816 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.916 13.252 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.030 15.577 16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.679 14.872 17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.064 15.231 18.076 1.00 0.00 H new ATOM 565 N GLY A 37 2.465 8.600 19.245 1.00 0.00 N ATOM 566 CA GLY A 37 1.977 7.350 19.865 1.00 0.00 C ATOM 567 C GLY A 37 2.944 6.159 19.764 1.00 0.00 C ATOM 568 O GLY A 37 3.437 5.843 18.677 1.00 0.00 O ATOM 0 H GLY A 37 2.221 8.696 18.259 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.767 7.541 20.917 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.032 7.074 19.397 1.00 0.00 H new ATOM 572 N VAL A 38 3.168 5.474 20.902 1.00 0.00 N ATOM 573 CA VAL A 38 4.054 4.276 20.959 1.00 0.00 C ATOM 574 C VAL A 38 3.169 3.034 20.641 1.00 0.00 C ATOM 575 O VAL A 38 2.354 2.613 21.468 1.00 0.00 O ATOM 576 CB VAL A 38 4.837 4.111 22.311 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.945 3.034 22.195 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.511 5.395 22.847 1.00 0.00 C ATOM 0 H VAL A 38 2.751 5.723 21.799 1.00 0.00 H new ATOM 0 HA VAL A 38 4.847 4.394 20.221 1.00 0.00 H new ATOM 0 HB VAL A 38 4.056 3.823 23.015 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.467 2.945 23.148 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.495 2.075 21.937 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.653 3.323 21.419 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.024 5.173 23.783 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.232 5.760 22.116 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.753 6.158 23.021 1.00 0.00 H new ATOM 588 N SER A 39 3.368 2.456 19.442 1.00 0.00 N ATOM 589 CA SER A 39 2.688 1.212 19.005 1.00 0.00 C ATOM 590 C SER A 39 3.458 -0.017 19.562 1.00 0.00 C ATOM 591 O SER A 39 4.575 -0.321 19.128 1.00 0.00 O ATOM 592 CB SER A 39 2.607 1.185 17.462 1.00 0.00 C ATOM 593 OG SER A 39 1.809 2.252 16.959 1.00 0.00 O ATOM 0 H SER A 39 4.006 2.836 18.743 1.00 0.00 H new ATOM 0 HA SER A 39 1.671 1.178 19.395 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.611 1.253 17.043 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.189 0.233 17.136 1.00 0.00 H new ATOM 0 HG SER A 39 1.780 2.206 15.980 1.00 0.00 H new ATOM 599 N GLU A 40 2.854 -0.679 20.564 1.00 0.00 N ATOM 600 CA GLU A 40 3.539 -1.701 21.395 1.00 0.00 C ATOM 601 C GLU A 40 2.933 -3.091 21.076 1.00 0.00 C ATOM 602 O GLU A 40 2.044 -3.576 21.785 1.00 0.00 O ATOM 603 CB GLU A 40 3.370 -1.303 22.887 1.00 0.00 C ATOM 604 CG GLU A 40 4.160 -0.052 23.327 1.00 0.00 C ATOM 605 CD GLU A 40 3.775 0.449 24.718 1.00 0.00 C ATOM 606 OE1 GLU A 40 4.382 -0.002 25.715 1.00 0.00 O ATOM 607 OE2 GLU A 40 2.865 1.302 24.820 1.00 0.00 O ATOM 0 H GLU A 40 1.880 -0.526 20.825 1.00 0.00 H new ATOM 0 HA GLU A 40 4.606 -1.754 21.179 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.311 -1.132 23.083 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.678 -2.144 23.508 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.226 -0.281 23.313 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.996 0.746 22.603 1.00 0.00 H new ATOM 614 N ILE A 41 3.434 -3.734 20.002 1.00 0.00 N ATOM 615 CA ILE A 41 2.923 -5.048 19.525 1.00 0.00 C ATOM 616 C ILE A 41 3.660 -6.148 20.347 1.00 0.00 C ATOM 617 O ILE A 41 4.889 -6.134 20.444 1.00 0.00 O ATOM 618 CB ILE A 41 3.066 -5.255 17.971 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.600 -4.063 17.074 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.304 -6.526 17.522 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.703 -3.041 16.763 1.00 0.00 C ATOM 0 H ILE A 41 4.200 -3.365 19.439 1.00 0.00 H new ATOM 0 HA ILE A 41 1.847 -5.102 19.690 1.00 0.00 H new ATOM 0 HB ILE A 41 4.142 -5.345 17.821 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.212 -4.459 16.136 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.775 -3.551 17.569 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.413 -6.654 16.445 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.714 -7.396 18.034 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.248 -6.423 17.770 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.297 -2.247 16.136 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.076 -2.614 17.694 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.520 -3.536 16.238 1.00 0.00 H new ATOM 633 N VAL A 42 2.889 -7.074 20.942 1.00 0.00 N ATOM 634 CA VAL A 42 3.427 -8.143 21.831 1.00 0.00 C ATOM 635 C VAL A 42 3.128 -9.489 21.109 1.00 0.00 C ATOM 636 O VAL A 42 2.057 -10.079 21.290 1.00 0.00 O ATOM 637 CB VAL A 42 2.833 -8.038 23.283 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.358 -9.146 24.227 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.098 -6.673 23.967 1.00 0.00 C ATOM 0 H VAL A 42 1.876 -7.111 20.827 1.00 0.00 H new ATOM 0 HA VAL A 42 4.501 -8.050 21.989 1.00 0.00 H new ATOM 0 HB VAL A 42 1.761 -8.156 23.128 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.914 -9.023 25.215 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.088 -10.123 23.827 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.443 -9.073 24.305 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.659 -6.675 24.965 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.173 -6.507 24.043 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.649 -5.876 23.375 1.00 0.00 H new ATOM 649 N GLN A 43 4.094 -9.963 20.301 1.00 0.00 N ATOM 650 CA GLN A 43 3.958 -11.208 19.501 1.00 0.00 C ATOM 651 C GLN A 43 4.436 -12.418 20.350 1.00 0.00 C ATOM 652 O GLN A 43 5.619 -12.527 20.690 1.00 0.00 O ATOM 653 CB GLN A 43 4.749 -10.999 18.180 1.00 0.00 C ATOM 654 CG GLN A 43 4.710 -12.134 17.128 1.00 0.00 C ATOM 655 CD GLN A 43 5.729 -13.269 17.317 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.384 -14.375 17.729 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.995 -13.037 17.003 1.00 0.00 N ATOM 0 H GLN A 43 4.994 -9.498 20.180 1.00 0.00 H new ATOM 0 HA GLN A 43 2.924 -11.428 19.234 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.376 -10.091 17.707 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.792 -10.818 18.439 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.710 -12.568 17.129 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.866 -11.694 16.143 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.276 -12.118 16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.689 -13.778 17.103 1.00 0.00 H new ATOM 666 N ASN A 44 3.485 -13.312 20.678 1.00 0.00 N ATOM 667 CA ASN A 44 3.736 -14.526 21.492 1.00 0.00 C ATOM 668 C ASN A 44 3.170 -15.747 20.713 1.00 0.00 C ATOM 669 O ASN A 44 2.046 -16.196 20.962 1.00 0.00 O ATOM 670 CB ASN A 44 3.111 -14.306 22.901 1.00 0.00 C ATOM 671 CG ASN A 44 3.461 -15.382 23.940 1.00 0.00 C ATOM 672 OD1 ASN A 44 2.795 -16.412 24.046 1.00 0.00 O ATOM 673 ND2 ASN A 44 4.500 -15.168 24.730 1.00 0.00 N ATOM 0 H ASN A 44 2.513 -13.216 20.386 1.00 0.00 H new ATOM 0 HA ASN A 44 4.795 -14.724 21.656 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.437 -13.337 23.279 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.027 -14.260 22.798 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.756 -15.860 25.435 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.046 -14.311 24.634 1.00 0.00 H new ATOM 680 N GLY A 45 3.954 -16.252 19.738 1.00 0.00 N ATOM 681 CA GLY A 45 3.490 -17.284 18.782 1.00 0.00 C ATOM 682 C GLY A 45 2.415 -16.760 17.803 1.00 0.00 C ATOM 683 O GLY A 45 2.669 -15.840 17.019 1.00 0.00 O ATOM 0 H GLY A 45 4.920 -15.960 19.590 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.343 -17.654 18.213 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.086 -18.131 19.337 1.00 0.00 H new ATOM 687 N LYS A 46 1.207 -17.335 17.912 1.00 0.00 N ATOM 688 CA LYS A 46 -0.015 -16.795 17.247 1.00 0.00 C ATOM 689 C LYS A 46 -0.770 -15.643 17.995 1.00 0.00 C ATOM 690 O LYS A 46 -1.568 -14.961 17.348 1.00 0.00 O ATOM 691 CB LYS A 46 -0.973 -17.960 16.864 1.00 0.00 C ATOM 692 CG LYS A 46 -1.651 -18.740 18.018 1.00 0.00 C ATOM 693 CD LYS A 46 -2.663 -19.789 17.514 1.00 0.00 C ATOM 694 CE LYS A 46 -3.426 -20.479 18.659 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.356 -21.502 18.148 1.00 0.00 N ATOM 0 H LYS A 46 1.038 -18.181 18.456 1.00 0.00 H new ATOM 0 HA LYS A 46 0.354 -16.297 16.350 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.758 -17.553 16.227 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.411 -18.673 16.261 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.886 -19.237 18.614 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.161 -18.036 18.676 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.377 -19.307 16.846 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.137 -20.543 16.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.716 -20.941 19.344 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.981 -19.734 19.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.854 -21.948 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.048 -21.056 17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.823 -22.226 17.625 1.00 0.00 H new ATOM 709 N HIS A 47 -0.568 -15.438 19.316 1.00 0.00 N ATOM 710 CA HIS A 47 -1.367 -14.490 20.136 1.00 0.00 C ATOM 711 C HIS A 47 -0.662 -13.108 20.191 1.00 0.00 C ATOM 712 O HIS A 47 0.416 -12.951 20.770 1.00 0.00 O ATOM 713 CB HIS A 47 -1.578 -15.057 21.567 1.00 0.00 C ATOM 714 CG HIS A 47 -2.527 -16.255 21.655 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.123 -17.576 21.718 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.932 -16.184 21.661 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.345 -18.193 21.752 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.499 -17.450 21.720 1.00 0.00 N ATOM 0 H HIS A 47 0.154 -15.924 19.847 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.345 -14.361 19.673 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.609 -15.350 21.972 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.963 -14.261 22.204 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.496 -15.264 21.624 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.401 -19.270 21.804 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.477 -17.740 21.735 1.00 0.00 H new ATOM 726 N PHE A 48 -1.320 -12.118 19.576 1.00 0.00 N ATOM 727 CA PHE A 48 -0.824 -10.719 19.475 1.00 0.00 C ATOM 728 C PHE A 48 -1.628 -9.774 20.416 1.00 0.00 C ATOM 729 O PHE A 48 -2.810 -10.001 20.688 1.00 0.00 O ATOM 730 CB PHE A 48 -0.944 -10.246 18.000 1.00 0.00 C ATOM 731 CG PHE A 48 0.145 -10.724 17.014 1.00 0.00 C ATOM 732 CD1 PHE A 48 0.208 -12.056 16.591 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.015 -9.791 16.440 1.00 0.00 C ATOM 734 CE1 PHE A 48 1.131 -12.450 15.626 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.921 -10.179 15.459 1.00 0.00 C ATOM 736 CZ PHE A 48 1.977 -11.507 15.050 1.00 0.00 C ATOM 0 H PHE A 48 -2.224 -12.256 19.125 1.00 0.00 H new ATOM 0 HA PHE A 48 0.220 -10.686 19.787 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.912 -10.572 17.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.950 -9.156 17.994 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.465 -12.785 17.017 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.983 -8.760 16.762 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.190 -13.486 15.325 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.581 -9.449 15.015 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.678 -11.807 14.285 1.00 0.00 H new ATOM 746 N LYS A 49 -0.985 -8.677 20.869 1.00 0.00 N ATOM 747 CA LYS A 49 -1.689 -7.563 21.562 1.00 0.00 C ATOM 748 C LYS A 49 -0.954 -6.232 21.255 1.00 0.00 C ATOM 749 O LYS A 49 0.206 -6.061 21.641 1.00 0.00 O ATOM 750 CB LYS A 49 -1.809 -7.805 23.092 1.00 0.00 C ATOM 751 CG LYS A 49 -2.813 -6.857 23.791 1.00 0.00 C ATOM 752 CD LYS A 49 -2.755 -6.836 25.330 1.00 0.00 C ATOM 753 CE LYS A 49 -3.308 -8.070 26.076 1.00 0.00 C ATOM 754 NZ LYS A 49 -2.395 -9.228 26.072 1.00 0.00 N ATOM 0 H LYS A 49 0.020 -8.534 20.770 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.710 -7.509 21.185 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.115 -8.837 23.266 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.827 -7.682 23.549 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.642 -5.844 23.426 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.821 -7.139 23.488 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.715 -6.701 25.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.302 -5.959 25.676 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.523 -7.793 27.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.254 -8.364 25.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.610 -9.842 26.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.519 -9.764 25.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.412 -8.895 26.140 1.00 0.00 H new ATOM 768 N PHE A 50 -1.656 -5.281 20.610 1.00 0.00 N ATOM 769 CA PHE A 50 -1.092 -3.939 20.286 1.00 0.00 C ATOM 770 C PHE A 50 -1.709 -2.846 21.197 1.00 0.00 C ATOM 771 O PHE A 50 -2.934 -2.739 21.287 1.00 0.00 O ATOM 772 CB PHE A 50 -1.178 -3.591 18.774 1.00 0.00 C ATOM 773 CG PHE A 50 -2.556 -3.442 18.095 1.00 0.00 C ATOM 774 CD1 PHE A 50 -3.226 -2.214 18.092 1.00 0.00 C ATOM 775 CD2 PHE A 50 -3.089 -4.508 17.368 1.00 0.00 C ATOM 776 CE1 PHE A 50 -4.381 -2.042 17.334 1.00 0.00 C ATOM 777 CE2 PHE A 50 -4.242 -4.338 16.606 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.879 -3.100 16.579 1.00 0.00 C ATOM 0 H PHE A 50 -2.619 -5.410 20.298 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.024 -3.976 20.502 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.640 -2.655 18.625 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.631 -4.362 18.232 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.845 -1.394 18.682 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.603 -5.472 17.397 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.890 -1.089 17.332 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.641 -5.165 16.037 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.761 -2.961 15.971 1.00 0.00 H new ATOM 788 N THR A 51 -0.847 -2.031 21.836 1.00 0.00 N ATOM 789 CA THR A 51 -1.281 -0.932 22.743 1.00 0.00 C ATOM 790 C THR A 51 -0.735 0.395 22.130 1.00 0.00 C ATOM 791 O THR A 51 0.438 0.727 22.328 1.00 0.00 O ATOM 792 CB THR A 51 -0.779 -1.183 24.201 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.065 -2.513 24.625 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.414 -0.231 25.230 1.00 0.00 C ATOM 0 H THR A 51 0.166 -2.109 21.744 1.00 0.00 H new ATOM 0 HA THR A 51 -2.367 -0.878 22.820 1.00 0.00 H new ATOM 0 HB THR A 51 0.296 -1.006 24.163 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.738 -2.642 25.540 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.025 -0.456 26.223 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.172 0.800 24.970 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.496 -0.361 25.227 1.00 0.00 H new ATOM 802 N ILE A 52 -1.579 1.138 21.383 1.00 0.00 N ATOM 803 CA ILE A 52 -1.158 2.388 20.671 1.00 0.00 C ATOM 804 C ILE A 52 -1.626 3.588 21.548 1.00 0.00 C ATOM 805 O ILE A 52 -2.829 3.778 21.755 1.00 0.00 O ATOM 806 CB ILE A 52 -1.687 2.476 19.192 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.345 1.231 18.316 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.149 3.747 18.481 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.138 1.100 17.004 1.00 0.00 C ATOM 0 H ILE A 52 -2.562 0.902 21.250 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.074 2.397 20.556 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.772 2.518 19.287 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.282 1.260 18.075 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.513 0.334 18.912 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.530 3.782 17.461 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.479 4.634 19.022 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.060 3.719 18.460 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.821 0.201 16.475 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.203 1.033 17.228 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.953 1.973 16.378 1.00 0.00 H new ATOM 821 N THR A 53 -0.668 4.395 22.039 1.00 0.00 N ATOM 822 CA THR A 53 -0.946 5.476 23.035 1.00 0.00 C ATOM 823 C THR A 53 -0.828 6.898 22.392 1.00 0.00 C ATOM 824 O THR A 53 0.055 7.683 22.753 1.00 0.00 O ATOM 825 CB THR A 53 -0.042 5.278 24.296 1.00 0.00 C ATOM 826 OG1 THR A 53 1.343 5.317 23.951 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.307 3.986 25.093 1.00 0.00 C ATOM 0 H THR A 53 0.313 4.328 21.768 1.00 0.00 H new ATOM 0 HA THR A 53 -1.981 5.403 23.369 1.00 0.00 H new ATOM 0 HB THR A 53 -0.310 6.113 24.943 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.525 6.120 23.419 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.369 3.940 25.947 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.338 3.981 25.446 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.139 3.121 24.451 1.00 0.00 H new ATOM 835 N ALA A 54 -1.739 7.236 21.451 1.00 0.00 N ATOM 836 CA ALA A 54 -1.656 8.486 20.646 1.00 0.00 C ATOM 837 C ALA A 54 -2.677 9.550 21.129 1.00 0.00 C ATOM 838 O ALA A 54 -3.887 9.301 21.137 1.00 0.00 O ATOM 839 CB ALA A 54 -1.906 8.138 19.165 1.00 0.00 C ATOM 0 H ALA A 54 -2.548 6.658 21.226 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.662 8.917 20.769 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.848 9.045 18.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.151 7.429 18.826 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.896 7.694 19.058 1.00 0.00 H new ATOM 845 N GLY A 55 -2.176 10.740 21.520 1.00 0.00 N ATOM 846 CA GLY A 55 -3.032 11.863 21.973 1.00 0.00 C ATOM 847 C GLY A 55 -3.535 11.683 23.417 1.00 0.00 C ATOM 848 O GLY A 55 -2.745 11.715 24.365 1.00 0.00 O ATOM 0 H GLY A 55 -1.178 10.951 21.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.470 12.794 21.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.887 11.955 21.304 1.00 0.00 H new ATOM 852 N SER A 56 -4.846 11.438 23.547 1.00 0.00 N ATOM 853 CA SER A 56 -5.416 10.756 24.741 1.00 0.00 C ATOM 854 C SER A 56 -6.360 9.624 24.250 1.00 0.00 C ATOM 855 O SER A 56 -7.588 9.720 24.358 1.00 0.00 O ATOM 856 CB SER A 56 -6.092 11.790 25.666 1.00 0.00 C ATOM 857 OG SER A 56 -6.587 11.175 26.850 1.00 0.00 O ATOM 0 H SER A 56 -5.540 11.698 22.846 1.00 0.00 H new ATOM 0 HA SER A 56 -4.641 10.289 25.348 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.376 12.569 25.929 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.911 12.276 25.136 1.00 0.00 H new ATOM 0 HG SER A 56 -7.009 11.852 27.419 1.00 0.00 H new ATOM 863 N LYS A 57 -5.757 8.548 23.707 1.00 0.00 N ATOM 864 CA LYS A 57 -6.495 7.359 23.215 1.00 0.00 C ATOM 865 C LYS A 57 -5.552 6.146 23.413 1.00 0.00 C ATOM 866 O LYS A 57 -4.558 5.998 22.693 1.00 0.00 O ATOM 867 CB LYS A 57 -6.930 7.455 21.722 1.00 0.00 C ATOM 868 CG LYS A 57 -8.047 8.457 21.355 1.00 0.00 C ATOM 869 CD LYS A 57 -9.447 8.071 21.879 1.00 0.00 C ATOM 870 CE LYS A 57 -10.532 9.068 21.439 1.00 0.00 C ATOM 871 NZ LYS A 57 -11.861 8.679 21.942 1.00 0.00 N ATOM 0 H LYS A 57 -4.746 8.475 23.595 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.425 7.269 23.776 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.048 7.707 21.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.253 6.464 21.404 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.782 9.438 21.750 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.092 8.551 20.270 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.705 7.075 21.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.424 8.020 22.968 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.281 10.064 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.556 9.124 20.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.568 9.373 21.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.110 7.739 21.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.844 8.650 22.981 1.00 0.00 H new ATOM 885 N VAL A 58 -5.892 5.269 24.376 1.00 0.00 N ATOM 886 CA VAL A 58 -5.164 3.989 24.602 1.00 0.00 C ATOM 887 C VAL A 58 -5.972 2.906 23.824 1.00 0.00 C ATOM 888 O VAL A 58 -7.030 2.458 24.278 1.00 0.00 O ATOM 889 CB VAL A 58 -4.971 3.676 26.128 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.233 2.337 26.370 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.206 4.786 26.893 1.00 0.00 C ATOM 0 H VAL A 58 -6.670 5.418 25.018 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.140 4.029 24.230 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.988 3.615 26.515 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.126 2.169 27.442 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.806 1.521 25.930 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.246 2.377 25.909 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.109 4.504 27.941 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.215 4.911 26.457 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.756 5.724 26.819 1.00 0.00 H new ATOM 901 N ILE A 59 -5.456 2.515 22.644 1.00 0.00 N ATOM 902 CA ILE A 59 -6.140 1.562 21.723 1.00 0.00 C ATOM 903 C ILE A 59 -5.491 0.176 21.999 1.00 0.00 C ATOM 904 O ILE A 59 -4.462 -0.165 21.404 1.00 0.00 O ATOM 905 CB ILE A 59 -6.031 2.042 20.229 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.666 3.446 19.973 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.644 1.006 19.250 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.207 4.139 18.680 1.00 0.00 C ATOM 0 H ILE A 59 -4.556 2.844 22.295 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.214 1.502 21.899 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.962 2.133 20.039 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.750 3.338 19.945 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.432 4.094 20.818 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.550 1.372 18.228 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.115 0.058 19.346 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.698 0.860 19.488 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.702 5.106 18.590 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.127 4.285 18.709 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.466 3.518 17.823 1.00 0.00 H new ATOM 920 N GLN A 60 -6.105 -0.599 22.912 1.00 0.00 N ATOM 921 CA GLN A 60 -5.551 -1.896 23.371 1.00 0.00 C ATOM 922 C GLN A 60 -6.433 -3.036 22.799 1.00 0.00 C ATOM 923 O GLN A 60 -7.584 -3.214 23.217 1.00 0.00 O ATOM 924 CB GLN A 60 -5.442 -1.909 24.917 1.00 0.00 C ATOM 925 CG GLN A 60 -4.476 -2.998 25.431 1.00 0.00 C ATOM 926 CD GLN A 60 -4.428 -3.110 26.961 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.268 -3.764 27.579 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.450 -2.486 27.599 1.00 0.00 N ATOM 0 H GLN A 60 -6.991 -0.351 23.352 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.537 -2.048 23.000 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.101 -0.933 25.262 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.430 -2.072 25.347 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.773 -3.960 25.015 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.473 -2.786 25.060 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.761 -1.948 27.074 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.386 -2.544 28.615 1.00 0.00 H new ATOM 937 N ASN A 61 -5.882 -3.770 21.818 1.00 0.00 N ATOM 938 CA ASN A 61 -6.643 -4.774 21.026 1.00 0.00 C ATOM 939 C ASN A 61 -5.824 -6.090 20.984 1.00 0.00 C ATOM 940 O ASN A 61 -4.680 -6.106 20.518 1.00 0.00 O ATOM 941 CB ASN A 61 -6.935 -4.255 19.592 1.00 0.00 C ATOM 942 CG ASN A 61 -7.861 -3.022 19.485 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.694 -2.750 20.349 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.741 -2.256 18.415 1.00 0.00 N ATOM 0 H ASN A 61 -4.902 -3.691 21.546 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.608 -4.956 21.500 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.985 -4.012 19.116 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.380 -5.068 19.018 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.339 -1.437 18.304 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.050 -2.483 17.700 1.00 0.00 H new ATOM 951 N GLU A 62 -6.442 -7.183 21.463 1.00 0.00 N ATOM 952 CA GLU A 62 -5.809 -8.524 21.531 1.00 0.00 C ATOM 953 C GLU A 62 -6.397 -9.354 20.366 1.00 0.00 C ATOM 954 O GLU A 62 -7.565 -9.759 20.409 1.00 0.00 O ATOM 955 CB GLU A 62 -6.058 -9.174 22.924 1.00 0.00 C ATOM 956 CG GLU A 62 -5.166 -10.388 23.290 1.00 0.00 C ATOM 957 CD GLU A 62 -5.387 -11.683 22.492 1.00 0.00 C ATOM 958 OE1 GLU A 62 -6.528 -12.196 22.466 1.00 0.00 O ATOM 959 OE2 GLU A 62 -4.417 -12.197 21.891 1.00 0.00 O ATOM 0 H GLU A 62 -7.399 -7.168 21.817 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.726 -8.467 21.424 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.922 -8.408 23.687 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.100 -9.490 22.972 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.124 -10.091 23.171 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.315 -10.612 24.346 1.00 0.00 H new ATOM 966 N PHE A 63 -5.570 -9.590 19.337 1.00 0.00 N ATOM 967 CA PHE A 63 -5.964 -10.408 18.161 1.00 0.00 C ATOM 968 C PHE A 63 -5.184 -11.756 18.127 1.00 0.00 C ATOM 969 O PHE A 63 -4.185 -11.947 18.827 1.00 0.00 O ATOM 970 CB PHE A 63 -5.890 -9.525 16.879 1.00 0.00 C ATOM 971 CG PHE A 63 -4.510 -9.298 16.229 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.976 -10.263 15.364 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.792 -8.122 16.467 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.750 -10.050 14.745 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.566 -7.910 15.836 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.050 -8.872 14.978 1.00 0.00 C ATOM 0 H PHE A 63 -4.618 -9.228 19.288 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.003 -10.730 18.229 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.542 -9.972 16.129 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.308 -8.548 17.123 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.520 -11.177 15.177 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.187 -7.376 17.141 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.341 -10.799 14.083 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.018 -6.997 16.015 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.101 -8.704 14.490 1.00 0.00 H new ATOM 986 N THR A 64 -5.649 -12.690 17.280 1.00 0.00 N ATOM 987 CA THR A 64 -4.933 -13.967 17.014 1.00 0.00 C ATOM 988 C THR A 64 -4.927 -14.181 15.469 1.00 0.00 C ATOM 989 O THR A 64 -5.953 -14.020 14.795 1.00 0.00 O ATOM 990 CB THR A 64 -5.565 -15.144 17.818 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.713 -14.795 19.192 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.713 -16.422 17.789 1.00 0.00 C ATOM 0 H THR A 64 -6.522 -12.591 16.761 1.00 0.00 H new ATOM 0 HA THR A 64 -3.900 -13.927 17.360 1.00 0.00 H new ATOM 0 HB THR A 64 -6.525 -15.332 17.337 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.112 -15.546 19.679 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.208 -17.203 18.367 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.592 -16.755 16.758 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.734 -16.216 18.221 1.00 0.00 H new ATOM 1000 N VAL A 65 -3.751 -14.540 14.914 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.522 -14.610 13.438 1.00 0.00 C ATOM 1002 C VAL A 65 -4.313 -15.762 12.750 1.00 0.00 C ATOM 1003 O VAL A 65 -4.276 -16.916 13.193 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.003 -14.640 13.046 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.340 -13.261 13.227 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.158 -15.733 13.731 1.00 0.00 C ATOM 0 H VAL A 65 -2.930 -14.790 15.465 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.925 -13.675 13.050 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.016 -14.907 11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.289 -13.323 12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.843 -12.530 12.594 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.419 -12.954 14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.126 -15.663 13.389 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.192 -15.595 14.812 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.558 -16.715 13.478 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.059 -15.404 11.689 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.055 -16.309 11.061 1.00 0.00 C ATOM 1018 C GLY A 66 -7.294 -16.746 11.889 1.00 0.00 C ATOM 1019 O GLY A 66 -7.841 -17.821 11.635 1.00 0.00 O ATOM 0 H GLY A 66 -4.994 -14.489 11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.418 -15.823 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.530 -17.212 10.750 1.00 0.00 H new ATOM 1023 N GLU A 67 -7.728 -15.912 12.851 1.00 0.00 N ATOM 1024 CA GLU A 67 -8.894 -16.172 13.730 1.00 0.00 C ATOM 1025 C GLU A 67 -9.650 -14.824 13.902 1.00 0.00 C ATOM 1026 O GLU A 67 -9.040 -13.755 14.053 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.448 -16.734 15.111 1.00 0.00 C ATOM 1028 CG GLU A 67 -7.921 -18.187 15.086 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.435 -18.692 16.449 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -8.241 -18.744 17.403 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.242 -19.052 16.566 1.00 0.00 O ATOM 0 H GLU A 67 -7.273 -15.020 13.047 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.542 -16.925 13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.669 -16.088 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.293 -16.682 15.798 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.712 -18.845 14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.101 -18.254 14.371 1.00 0.00 H new ATOM 1038 N GLU A 68 -10.996 -14.890 13.909 1.00 0.00 N ATOM 1039 CA GLU A 68 -11.870 -13.690 14.021 1.00 0.00 C ATOM 1040 C GLU A 68 -11.777 -13.077 15.448 1.00 0.00 C ATOM 1041 O GLU A 68 -12.173 -13.702 16.438 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.314 -14.090 13.601 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.383 -12.969 13.590 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.058 -12.722 14.946 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.981 -13.485 15.308 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -14.671 -11.766 15.656 1.00 0.00 O ATOM 0 H GLU A 68 -11.512 -15.767 13.838 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.538 -12.901 13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.268 -14.523 12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.656 -14.877 14.274 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.916 -12.042 13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.149 -13.222 12.857 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.232 -11.851 15.513 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.023 -11.110 16.780 1.00 0.00 C ATOM 1055 C CYS A 69 -11.289 -9.611 16.496 1.00 0.00 C ATOM 1056 O CYS A 69 -10.650 -9.008 15.624 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.582 -11.317 17.295 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.257 -13.072 17.677 1.00 0.00 S ATOM 0 H CYS A 69 -10.921 -11.339 14.688 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.702 -11.475 17.551 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.872 -10.969 16.544 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.423 -10.713 18.188 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.316 -13.777 17.411 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.233 -9.009 17.247 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.677 -7.610 17.000 1.00 0.00 C ATOM 1066 C GLU A 70 -11.608 -6.544 17.376 1.00 0.00 C ATOM 1067 O GLU A 70 -10.908 -6.675 18.388 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.080 -7.343 17.621 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.223 -7.228 19.161 1.00 0.00 C ATOM 1070 CD GLU A 70 -13.728 -5.913 19.789 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.018 -4.824 19.245 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -13.035 -5.968 20.829 1.00 0.00 O ATOM 0 H GLU A 70 -12.705 -9.463 18.029 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.790 -7.499 15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.458 -6.417 17.188 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.742 -8.144 17.290 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.274 -7.357 19.419 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.678 -8.054 19.619 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.517 -5.490 16.549 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.582 -4.359 16.775 1.00 0.00 C ATOM 1081 C LEU A 71 -11.426 -3.110 17.146 1.00 0.00 C ATOM 1082 O LEU A 71 -12.293 -2.682 16.383 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.693 -4.110 15.523 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.753 -5.264 15.058 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.960 -4.844 13.806 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.782 -5.761 16.147 1.00 0.00 C ATOM 0 H LEU A 71 -12.084 -5.391 15.707 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.898 -4.590 17.591 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.350 -3.857 14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.076 -3.234 15.720 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.411 -6.102 14.825 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.309 -5.662 13.496 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.653 -4.606 12.999 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.355 -3.967 14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.163 -6.563 15.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.144 -4.938 16.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.351 -6.134 16.999 1.00 0.00 H new ATOM 1098 N GLU A 72 -11.152 -2.519 18.321 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.836 -1.286 18.798 1.00 0.00 C ATOM 1100 C GLU A 72 -11.197 -0.051 18.102 1.00 0.00 C ATOM 1101 O GLU A 72 -10.050 0.304 18.397 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.716 -1.154 20.343 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.352 -2.291 21.174 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.078 -2.155 22.672 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.017 -2.631 23.136 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -12.917 -1.574 23.394 1.00 0.00 O ATOM 0 H GLU A 72 -10.453 -2.875 18.972 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.895 -1.343 18.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.659 -1.091 20.601 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.174 -0.212 20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.429 -2.299 21.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.967 -3.249 20.824 1.00 0.00 H new ATOM 1113 N THR A 73 -11.932 0.587 17.168 1.00 0.00 N ATOM 1114 CA THR A 73 -11.380 1.716 16.355 1.00 0.00 C ATOM 1115 C THR A 73 -11.131 3.020 17.183 1.00 0.00 C ATOM 1116 O THR A 73 -11.810 3.294 18.178 1.00 0.00 O ATOM 1117 CB THR A 73 -12.259 2.036 15.103 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.530 2.545 15.483 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.468 0.870 14.126 1.00 0.00 C ATOM 0 H THR A 73 -12.900 0.351 16.951 1.00 0.00 H new ATOM 0 HA THR A 73 -10.408 1.359 16.014 1.00 0.00 H new ATOM 0 HB THR A 73 -11.679 2.787 14.567 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.996 2.886 14.691 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.091 1.199 13.295 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.502 0.536 13.746 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.959 0.046 14.643 1.00 0.00 H new ATOM 1127 N MET A 74 -10.189 3.851 16.691 1.00 0.00 N ATOM 1128 CA MET A 74 -10.032 5.277 17.116 1.00 0.00 C ATOM 1129 C MET A 74 -11.306 6.190 17.068 1.00 0.00 C ATOM 1130 O MET A 74 -11.458 7.044 17.946 1.00 0.00 O ATOM 1131 CB MET A 74 -8.825 5.935 16.385 1.00 0.00 C ATOM 1132 CG MET A 74 -8.880 6.019 14.847 1.00 0.00 C ATOM 1133 SD MET A 74 -8.565 4.393 14.117 1.00 0.00 S ATOM 1134 CE MET A 74 -9.682 4.387 12.700 1.00 0.00 C ATOM 0 H MET A 74 -9.510 3.562 15.987 1.00 0.00 H new ATOM 0 HA MET A 74 -9.838 5.206 18.186 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.709 6.947 16.773 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.925 5.384 16.659 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.857 6.384 14.531 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.141 6.735 14.489 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.586 3.442 12.165 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.709 4.506 13.046 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.427 5.209 12.032 1.00 0.00 H new ATOM 1144 N THR A 75 -12.230 5.981 16.100 1.00 0.00 N ATOM 1145 CA THR A 75 -13.603 6.567 16.117 1.00 0.00 C ATOM 1146 C THR A 75 -14.425 6.053 17.349 1.00 0.00 C ATOM 1147 O THR A 75 -14.705 6.835 18.263 1.00 0.00 O ATOM 1148 CB THR A 75 -14.290 6.308 14.734 1.00 0.00 C ATOM 1149 OG1 THR A 75 -13.507 6.851 13.680 1.00 0.00 O ATOM 1150 CG2 THR A 75 -15.698 6.907 14.582 1.00 0.00 C ATOM 0 H THR A 75 -12.049 5.401 15.281 1.00 0.00 H new ATOM 0 HA THR A 75 -13.550 7.648 16.250 1.00 0.00 H new ATOM 0 HB THR A 75 -14.376 5.223 14.685 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.075 7.399 13.099 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.088 6.673 13.591 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.357 6.484 15.340 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.649 7.989 14.707 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.772 4.755 17.361 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.488 4.097 18.475 1.00 0.00 C ATOM 1160 C GLY A 76 -16.443 3.020 17.927 1.00 0.00 C ATOM 1161 O GLY A 76 -17.662 3.219 17.946 1.00 0.00 O ATOM 0 H GLY A 76 -14.562 4.122 16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.772 3.644 19.161 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.050 4.837 19.044 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.883 1.915 17.397 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.638 0.932 16.573 1.00 0.00 C ATOM 1167 C GLU A 77 -15.995 -0.456 16.825 1.00 0.00 C ATOM 1168 O GLU A 77 -14.809 -0.670 16.547 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.614 1.258 15.049 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.289 2.584 14.630 1.00 0.00 C ATOM 1171 CD GLU A 77 -17.212 2.861 13.127 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -16.102 3.137 12.618 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -18.263 2.817 12.450 1.00 0.00 O ATOM 0 H GLU A 77 -14.900 1.673 17.523 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.688 0.961 16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.575 1.282 14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.100 0.441 14.515 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.336 2.561 14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.819 3.407 15.168 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.799 -1.399 17.348 1.00 0.00 N ATOM 1181 CA LYS A 78 -16.325 -2.758 17.722 1.00 0.00 C ATOM 1182 C LYS A 78 -16.553 -3.697 16.504 1.00 0.00 C ATOM 1183 O LYS A 78 -17.643 -4.241 16.300 1.00 0.00 O ATOM 1184 CB LYS A 78 -17.055 -3.247 19.006 1.00 0.00 C ATOM 1185 CG LYS A 78 -16.528 -2.705 20.355 1.00 0.00 C ATOM 1186 CD LYS A 78 -16.720 -1.196 20.614 1.00 0.00 C ATOM 1187 CE LYS A 78 -16.261 -0.771 22.020 1.00 0.00 C ATOM 1188 NZ LYS A 78 -16.412 0.681 22.216 1.00 0.00 N ATOM 0 H LYS A 78 -17.792 -1.249 17.525 1.00 0.00 H new ATOM 0 HA LYS A 78 -15.261 -2.753 17.961 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.108 -2.980 18.921 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.003 -4.335 19.033 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -17.019 -3.254 21.158 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.463 -2.929 20.420 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.163 -0.630 19.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.772 -0.941 20.487 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.843 -1.304 22.772 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.218 -1.053 22.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.095 0.937 23.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.837 1.188 21.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.411 0.945 22.101 1.00 0.00 H new ATOM 1202 N VAL A 79 -15.502 -3.816 15.676 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.604 -4.335 14.290 1.00 0.00 C ATOM 1204 C VAL A 79 -14.895 -5.719 14.204 1.00 0.00 C ATOM 1205 O VAL A 79 -13.667 -5.803 14.281 1.00 0.00 O ATOM 1206 CB VAL A 79 -15.104 -3.238 13.288 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.702 -2.635 13.527 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.215 -3.685 11.822 1.00 0.00 C ATOM 0 H VAL A 79 -14.553 -3.556 15.944 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.635 -4.532 13.997 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.801 -2.428 13.504 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.490 -1.891 12.759 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.672 -2.162 14.508 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.953 -3.426 13.483 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.856 -2.888 11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.612 -4.580 11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.256 -3.904 11.586 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.693 -6.786 14.001 1.00 0.00 N ATOM 1219 CA LYS A 80 -15.195 -8.178 13.857 1.00 0.00 C ATOM 1220 C LYS A 80 -14.423 -8.396 12.524 1.00 0.00 C ATOM 1221 O LYS A 80 -14.954 -8.170 11.432 1.00 0.00 O ATOM 1222 CB LYS A 80 -16.333 -9.216 14.062 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.595 -9.123 13.169 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.528 -10.356 13.211 1.00 0.00 C ATOM 1225 CE LYS A 80 -19.341 -10.579 14.505 1.00 0.00 C ATOM 1226 NZ LYS A 80 -18.564 -11.210 15.588 1.00 0.00 N ATOM 0 H LYS A 80 -16.708 -6.711 13.931 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.470 -8.342 14.654 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.904 -10.208 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.657 -9.150 15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.167 -8.245 13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.279 -8.962 12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.229 -10.278 12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.922 -11.245 13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.723 -9.620 14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.206 -11.203 14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.211 -11.693 16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.902 -11.902 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.030 -10.481 16.103 1.00 0.00 H new ATOM 1240 N THR A 81 -13.149 -8.802 12.654 1.00 0.00 N ATOM 1241 CA THR A 81 -12.211 -8.920 11.505 1.00 0.00 C ATOM 1242 C THR A 81 -11.160 -10.035 11.783 1.00 0.00 C ATOM 1243 O THR A 81 -10.573 -10.115 12.868 1.00 0.00 O ATOM 1244 CB THR A 81 -11.575 -7.539 11.135 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.798 -7.667 9.948 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.697 -6.869 12.210 1.00 0.00 C ATOM 0 H THR A 81 -12.734 -9.058 13.550 1.00 0.00 H new ATOM 0 HA THR A 81 -12.770 -9.225 10.620 1.00 0.00 H new ATOM 0 HB THR A 81 -12.438 -6.884 11.012 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.905 -7.292 10.099 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.317 -5.921 11.830 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.292 -6.689 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.860 -7.523 12.456 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.878 -10.844 10.743 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.727 -11.795 10.732 1.00 0.00 C ATOM 1256 C VAL A 82 -8.456 -10.959 10.388 1.00 0.00 C ATOM 1257 O VAL A 82 -8.386 -10.330 9.326 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.966 -12.978 9.729 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.760 -13.946 9.634 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.219 -13.823 10.062 1.00 0.00 C ATOM 0 H VAL A 82 -11.432 -10.864 9.887 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.604 -12.273 11.704 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.112 -12.475 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.987 -14.742 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.880 -13.399 9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.563 -14.379 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.324 -14.623 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.113 -14.255 11.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.104 -13.188 10.035 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.463 -10.973 11.299 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.195 -10.214 11.111 1.00 0.00 C ATOM 1272 C VAL A 83 -5.148 -11.252 10.623 1.00 0.00 C ATOM 1273 O VAL A 83 -4.487 -11.914 11.429 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.767 -9.429 12.395 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.472 -8.607 12.177 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.849 -8.486 12.971 1.00 0.00 C ATOM 0 H VAL A 83 -7.507 -11.498 12.172 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.308 -9.422 10.370 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.597 -10.220 13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.216 -8.080 13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.657 -9.277 11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.630 -7.884 11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.461 -7.986 13.859 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.117 -7.740 12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.732 -9.066 13.238 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.037 -11.398 9.292 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.284 -12.505 8.669 1.00 0.00 C ATOM 1288 C GLN A 84 -2.821 -12.063 8.409 1.00 0.00 C ATOM 1289 O GLN A 84 -2.564 -11.160 7.605 1.00 0.00 O ATOM 1290 CB GLN A 84 -5.037 -12.921 7.373 1.00 0.00 C ATOM 1291 CG GLN A 84 -4.507 -14.187 6.666 1.00 0.00 C ATOM 1292 CD GLN A 84 -4.803 -15.513 7.389 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.853 -16.126 7.198 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -3.893 -15.984 8.227 1.00 0.00 N ATOM 0 H GLN A 84 -5.462 -10.759 8.620 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.227 -13.374 9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.087 -13.078 7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.996 -12.090 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.938 -14.233 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.428 -14.091 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.025 -15.470 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.059 -16.861 8.720 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.871 -12.757 9.064 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.424 -12.606 8.775 1.00 0.00 C ATOM 1305 C LEU A 85 -0.073 -13.350 7.458 1.00 0.00 C ATOM 1306 O LEU A 85 -0.311 -14.556 7.319 1.00 0.00 O ATOM 1307 CB LEU A 85 0.404 -13.111 9.988 1.00 0.00 C ATOM 1308 CG LEU A 85 1.955 -13.064 9.886 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.523 -11.703 9.443 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.593 -13.492 11.220 1.00 0.00 C ATOM 0 H LEU A 85 -2.077 -13.432 9.801 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.173 -11.556 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.109 -12.527 10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.114 -14.143 10.183 1.00 0.00 H new ATOM 0 HG LEU A 85 2.217 -13.769 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.611 -11.760 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.132 -11.449 8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.229 -10.936 10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.679 -13.454 11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.269 -12.817 12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.284 -14.509 11.461 1.00 0.00 H new ATOM 1322 N GLU A 86 0.478 -12.581 6.508 1.00 0.00 N ATOM 1323 CA GLU A 86 0.802 -13.066 5.144 1.00 0.00 C ATOM 1324 C GLU A 86 2.308 -12.840 4.866 1.00 0.00 C ATOM 1325 O GLU A 86 2.846 -11.745 5.064 1.00 0.00 O ATOM 1326 CB GLU A 86 -0.081 -12.356 4.082 1.00 0.00 C ATOM 1327 CG GLU A 86 -1.551 -12.827 4.085 1.00 0.00 C ATOM 1328 CD GLU A 86 -2.415 -12.142 3.025 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -2.293 -12.488 1.829 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -3.227 -11.261 3.382 1.00 0.00 O ATOM 0 H GLU A 86 0.715 -11.600 6.657 1.00 0.00 H new ATOM 0 HA GLU A 86 0.589 -14.133 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.052 -11.281 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.345 -12.528 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.579 -13.905 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.982 -12.641 5.069 1.00 0.00 H new ATOM 1337 N GLY A 87 2.971 -13.912 4.401 1.00 0.00 N ATOM 1338 CA GLY A 87 4.423 -13.899 4.118 1.00 0.00 C ATOM 1339 C GLY A 87 5.253 -14.288 5.353 1.00 0.00 C ATOM 1340 O GLY A 87 5.429 -15.475 5.640 1.00 0.00 O ATOM 0 H GLY A 87 2.523 -14.808 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.640 -14.589 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.718 -12.905 3.781 1.00 0.00 H new ATOM 1344 N ASP A 88 5.757 -13.266 6.062 1.00 0.00 N ATOM 1345 CA ASP A 88 6.577 -13.444 7.294 1.00 0.00 C ATOM 1346 C ASP A 88 6.357 -12.305 8.335 1.00 0.00 C ATOM 1347 O ASP A 88 6.192 -12.587 9.525 1.00 0.00 O ATOM 1348 CB ASP A 88 8.076 -13.649 6.923 1.00 0.00 C ATOM 1349 CG ASP A 88 8.983 -14.069 8.088 1.00 0.00 C ATOM 1350 OD1 ASP A 88 9.053 -15.279 8.397 1.00 0.00 O ATOM 1351 OD2 ASP A 88 9.622 -13.187 8.704 1.00 0.00 O ATOM 0 H ASP A 88 5.614 -12.289 5.806 1.00 0.00 H new ATOM 0 HA ASP A 88 6.235 -14.350 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.141 -14.406 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.460 -12.721 6.500 1.00 0.00 H new ATOM 1356 N ASN A 89 6.417 -11.041 7.885 1.00 0.00 N ATOM 1357 CA ASN A 89 6.298 -9.840 8.748 1.00 0.00 C ATOM 1358 C ASN A 89 5.415 -8.736 8.083 1.00 0.00 C ATOM 1359 O ASN A 89 5.836 -7.585 7.934 1.00 0.00 O ATOM 1360 CB ASN A 89 7.720 -9.387 9.184 1.00 0.00 C ATOM 1361 CG ASN A 89 8.715 -8.862 8.116 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.447 -8.812 6.915 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.896 -8.455 8.550 1.00 0.00 N ATOM 0 H ASN A 89 6.551 -10.815 6.900 1.00 0.00 H new ATOM 0 HA ASN A 89 5.757 -10.078 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.598 -8.602 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.193 -10.232 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.587 -8.099 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.116 -8.497 9.545 1.00 0.00 H new ATOM 1370 N LYS A 90 4.171 -9.097 7.707 1.00 0.00 N ATOM 1371 CA LYS A 90 3.215 -8.177 7.047 1.00 0.00 C ATOM 1372 C LYS A 90 1.777 -8.591 7.465 1.00 0.00 C ATOM 1373 O LYS A 90 1.209 -9.552 6.936 1.00 0.00 O ATOM 1374 CB LYS A 90 3.423 -8.204 5.507 1.00 0.00 C ATOM 1375 CG LYS A 90 2.704 -7.060 4.767 1.00 0.00 C ATOM 1376 CD LYS A 90 2.493 -7.352 3.269 1.00 0.00 C ATOM 1377 CE LYS A 90 1.766 -6.212 2.537 1.00 0.00 C ATOM 1378 NZ LYS A 90 1.624 -6.495 1.098 1.00 0.00 N ATOM 0 H LYS A 90 3.798 -10.035 7.852 1.00 0.00 H new ATOM 0 HA LYS A 90 3.382 -7.147 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.490 -8.150 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.067 -9.158 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.737 -6.882 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.284 -6.144 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.461 -7.522 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.919 -8.272 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.780 -6.066 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.317 -5.282 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.129 -5.705 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.566 -6.610 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.076 -7.370 0.969 1.00 0.00 H new ATOM 1392 N LEU A 91 1.192 -7.828 8.402 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.197 -8.049 8.890 1.00 0.00 C ATOM 1394 C LEU A 91 -1.201 -7.311 7.960 1.00 0.00 C ATOM 1395 O LEU A 91 -1.022 -6.128 7.656 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.332 -7.526 10.346 1.00 0.00 C ATOM 1397 CG LEU A 91 0.499 -8.256 11.440 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.662 -7.377 12.696 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.093 -9.634 11.791 1.00 0.00 C ATOM 0 H LEU A 91 1.660 -7.039 8.848 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.420 -9.116 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.052 -6.473 10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.383 -7.578 10.628 1.00 0.00 H new ATOM 0 HG LEU A 91 1.492 -8.433 11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.247 -7.914 13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.175 -6.453 12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.320 -7.142 13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.519 -10.108 12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.110 -9.509 12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.107 -10.261 10.900 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.240 -8.029 7.505 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.189 -7.529 6.469 1.00 0.00 C ATOM 1413 C VAL A 92 -4.613 -7.651 7.092 1.00 0.00 C ATOM 1414 O VAL A 92 -5.092 -8.759 7.361 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.021 -8.313 5.119 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -3.998 -7.828 4.022 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.588 -8.265 4.527 1.00 0.00 C ATOM 0 H VAL A 92 -2.455 -8.970 7.836 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.996 -6.490 6.202 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.247 -9.342 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.837 -8.405 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.024 -7.965 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.822 -6.772 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.560 -8.831 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.310 -7.230 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.886 -8.701 5.238 1.00 0.00 H new ATOM 1427 N THR A 93 -5.277 -6.497 7.307 1.00 0.00 N ATOM 1428 CA THR A 93 -6.628 -6.434 7.931 1.00 0.00 C ATOM 1429 C THR A 93 -7.400 -5.193 7.409 1.00 0.00 C ATOM 1430 O THR A 93 -6.915 -4.061 7.479 1.00 0.00 O ATOM 1431 CB THR A 93 -6.562 -6.490 9.488 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.879 -6.592 10.020 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.834 -5.343 10.214 1.00 0.00 C ATOM 0 H THR A 93 -4.900 -5.583 7.057 1.00 0.00 H new ATOM 0 HA THR A 93 -7.184 -7.322 7.632 1.00 0.00 H new ATOM 0 HB THR A 93 -5.948 -7.370 9.679 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.909 -6.166 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.867 -5.514 11.290 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.796 -5.305 9.885 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.323 -4.397 9.982 1.00 0.00 H new ATOM 1441 N THR A 94 -8.628 -5.436 6.930 1.00 0.00 N ATOM 1442 CA THR A 94 -9.554 -4.383 6.436 1.00 0.00 C ATOM 1443 C THR A 94 -10.837 -4.399 7.318 1.00 0.00 C ATOM 1444 O THR A 94 -11.435 -5.454 7.560 1.00 0.00 O ATOM 1445 CB THR A 94 -9.806 -4.537 4.908 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.696 -3.516 4.467 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.343 -5.899 4.431 1.00 0.00 C ATOM 0 H THR A 94 -9.019 -6.376 6.870 1.00 0.00 H new ATOM 0 HA THR A 94 -9.113 -3.391 6.537 1.00 0.00 H new ATOM 0 HB THR A 94 -8.814 -4.453 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.853 -3.612 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.476 -5.879 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.633 -6.683 4.695 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.301 -6.101 4.911 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.231 -3.210 7.809 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.301 -3.069 8.834 1.00 0.00 C ATOM 1457 C PHE A 95 -13.100 -1.762 8.571 1.00 0.00 C ATOM 1458 O PHE A 95 -12.572 -0.655 8.711 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.742 -3.201 10.284 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.550 -2.324 10.726 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.754 -1.032 11.226 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.247 -2.834 10.663 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.673 -0.259 11.641 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.171 -2.066 11.098 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.384 -0.779 11.584 1.00 0.00 C ATOM 0 H PHE A 95 -10.825 -2.322 7.514 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.005 -3.896 8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.565 -3.002 10.970 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.452 -4.242 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.756 -0.633 11.290 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.077 -3.827 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.835 0.744 12.007 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.170 -2.469 11.058 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.547 -0.183 11.917 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.378 -1.913 8.154 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.266 -0.790 7.709 1.00 0.00 C ATOM 1477 C LYS A 96 -14.651 0.154 6.618 1.00 0.00 C ATOM 1478 O LYS A 96 -14.555 1.371 6.804 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.910 -0.047 8.915 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.037 -0.832 9.623 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.605 -0.063 10.829 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.797 -0.728 11.546 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.429 -1.926 12.324 1.00 0.00 N ATOM 0 H LYS A 96 -14.836 -2.824 8.113 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.085 -1.264 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.131 0.182 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.311 0.905 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.838 -1.036 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.653 -1.796 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.804 0.082 11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.914 0.927 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.260 -0.001 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -19.547 -1.003 10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.283 -2.339 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.983 -2.624 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.761 -1.660 13.076 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.203 -0.443 5.490 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.395 0.231 4.428 1.00 0.00 C ATOM 1499 C ASN A 97 -12.187 1.101 4.932 1.00 0.00 C ATOM 1500 O ASN A 97 -12.084 2.288 4.611 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.348 0.923 3.405 1.00 0.00 C ATOM 1502 CG ASN A 97 -13.717 1.256 2.037 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.212 2.354 1.814 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -13.736 0.323 1.097 1.00 0.00 N ATOM 0 H ASN A 97 -14.392 -1.423 5.281 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.850 -0.547 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.210 0.276 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.722 1.846 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.330 0.514 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.157 -0.586 1.289 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.290 0.488 5.729 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.029 1.127 6.201 1.00 0.00 C ATOM 1513 C ILE A 98 -8.983 -0.011 6.028 1.00 0.00 C ATOM 1514 O ILE A 98 -8.913 -0.928 6.855 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.097 1.705 7.665 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.173 2.821 7.841 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.713 2.236 8.122 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.462 3.260 9.287 1.00 0.00 C ATOM 0 H ILE A 98 -11.412 -0.466 6.069 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.784 2.025 5.634 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.395 0.868 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.856 3.696 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.105 2.473 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.791 2.629 9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.987 1.423 8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.388 3.030 7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.225 4.039 9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.817 2.405 9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.549 3.648 9.739 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.177 0.070 4.953 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.230 -1.009 4.568 1.00 0.00 C ATOM 1532 C LYS A 99 -5.900 -0.777 5.328 1.00 0.00 C ATOM 1533 O LYS A 99 -5.082 0.071 4.959 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.042 -1.055 3.026 1.00 0.00 C ATOM 1535 CG LYS A 99 -8.151 -1.771 2.219 1.00 0.00 C ATOM 1536 CD LYS A 99 -9.553 -1.130 2.304 1.00 0.00 C ATOM 1537 CE LYS A 99 -10.614 -1.756 1.382 1.00 0.00 C ATOM 1538 NZ LYS A 99 -10.433 -1.395 -0.037 1.00 0.00 N ATOM 0 H LYS A 99 -8.159 0.875 4.327 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.625 -1.986 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.961 -0.031 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.093 -1.546 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.849 -1.806 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.220 -2.802 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.904 -1.197 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.466 -0.070 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.579 -2.841 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.604 -1.437 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.177 -1.846 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.494 -0.362 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.501 -1.722 -0.362 1.00 0.00 H new ATOM 1552 N SER A 100 -5.756 -1.528 6.428 1.00 0.00 N ATOM 1553 CA SER A 100 -4.697 -1.304 7.443 1.00 0.00 C ATOM 1554 C SER A 100 -3.605 -2.389 7.278 1.00 0.00 C ATOM 1555 O SER A 100 -3.839 -3.573 7.551 1.00 0.00 O ATOM 1556 CB SER A 100 -5.303 -1.328 8.862 1.00 0.00 C ATOM 1557 OG SER A 100 -6.279 -0.305 9.022 1.00 0.00 O ATOM 0 H SER A 100 -6.369 -2.313 6.647 1.00 0.00 H new ATOM 0 HA SER A 100 -4.244 -0.324 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.758 -2.301 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.512 -1.198 9.600 1.00 0.00 H new ATOM 0 HG SER A 100 -6.930 -0.578 9.701 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.420 -1.959 6.817 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.272 -2.868 6.549 1.00 0.00 C ATOM 1565 C VAL A 101 -0.176 -2.470 7.568 1.00 0.00 C ATOM 1566 O VAL A 101 0.467 -1.430 7.414 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.801 -2.787 5.060 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.467 -3.627 4.774 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.899 -3.251 4.074 1.00 0.00 C ATOM 0 H VAL A 101 -2.222 -0.979 6.617 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.543 -3.916 6.679 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.575 -1.732 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.740 -3.527 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.287 -3.272 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.268 -4.675 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.526 -3.177 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.167 -4.286 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.779 -2.618 4.185 1.00 0.00 H new ATOM 1579 N THR A 102 0.039 -3.336 8.571 1.00 0.00 N ATOM 1580 CA THR A 102 1.061 -3.119 9.632 1.00 0.00 C ATOM 1581 C THR A 102 2.299 -3.981 9.239 1.00 0.00 C ATOM 1582 O THR A 102 2.417 -5.142 9.647 1.00 0.00 O ATOM 1583 CB THR A 102 0.466 -3.471 11.032 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.808 -2.864 11.226 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.358 -3.059 12.212 1.00 0.00 C ATOM 0 H THR A 102 -0.483 -4.206 8.678 1.00 0.00 H new ATOM 0 HA THR A 102 1.369 -2.076 9.709 1.00 0.00 H new ATOM 0 HB THR A 102 0.386 -4.558 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.688 -1.921 11.465 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.875 -3.338 13.148 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.320 -3.566 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.514 -1.980 12.191 1.00 0.00 H new ATOM 1593 N GLU A 103 3.193 -3.409 8.410 1.00 0.00 N ATOM 1594 CA GLU A 103 4.363 -4.132 7.849 1.00 0.00 C ATOM 1595 C GLU A 103 5.636 -3.753 8.642 1.00 0.00 C ATOM 1596 O GLU A 103 5.955 -2.574 8.821 1.00 0.00 O ATOM 1597 CB GLU A 103 4.507 -3.804 6.338 1.00 0.00 C ATOM 1598 CG GLU A 103 5.570 -4.655 5.598 1.00 0.00 C ATOM 1599 CD GLU A 103 5.656 -4.338 4.103 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.253 -3.302 3.737 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.132 -5.126 3.284 1.00 0.00 O ATOM 0 H GLU A 103 3.130 -2.437 8.108 1.00 0.00 H new ATOM 0 HA GLU A 103 4.217 -5.208 7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.541 -3.949 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.763 -2.750 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.545 -4.487 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.335 -5.712 5.727 1.00 0.00 H new ATOM 1608 N LEU A 104 6.391 -4.784 9.047 1.00 0.00 N ATOM 1609 CA LEU A 104 7.719 -4.604 9.691 1.00 0.00 C ATOM 1610 C LEU A 104 8.812 -4.498 8.584 1.00 0.00 C ATOM 1611 O LEU A 104 8.965 -5.411 7.764 1.00 0.00 O ATOM 1612 CB LEU A 104 7.998 -5.787 10.664 1.00 0.00 C ATOM 1613 CG LEU A 104 8.790 -5.471 11.960 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.873 -6.735 12.833 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.199 -4.898 11.739 1.00 0.00 C ATOM 0 H LEU A 104 6.111 -5.759 8.943 1.00 0.00 H new ATOM 0 HA LEU A 104 7.734 -3.685 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.040 -6.220 10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.543 -6.554 10.114 1.00 0.00 H new ATOM 0 HG LEU A 104 8.232 -4.679 12.460 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.430 -6.513 13.743 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.867 -7.064 13.094 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.381 -7.526 12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.671 -4.710 12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.798 -5.613 11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.129 -3.964 11.182 1.00 0.00 H new ATOM 1627 N ASN A 105 9.551 -3.376 8.572 1.00 0.00 N ATOM 1628 CA ASN A 105 10.627 -3.113 7.576 1.00 0.00 C ATOM 1629 C ASN A 105 11.971 -2.898 8.332 1.00 0.00 C ATOM 1630 O ASN A 105 12.442 -1.765 8.487 1.00 0.00 O ATOM 1631 CB ASN A 105 10.254 -1.905 6.667 1.00 0.00 C ATOM 1632 CG ASN A 105 9.083 -2.124 5.689 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.262 -2.551 4.549 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.868 -1.829 6.120 1.00 0.00 N ATOM 0 H ASN A 105 9.427 -2.621 9.247 1.00 0.00 H new ATOM 0 HA ASN A 105 10.742 -3.970 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.011 -1.057 7.307 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.135 -1.626 6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.064 -1.955 5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.735 -1.476 7.068 1.00 0.00 H new ATOM 1641 N GLY A 106 12.582 -4.002 8.808 1.00 0.00 N ATOM 1642 CA GLY A 106 13.849 -3.948 9.579 1.00 0.00 C ATOM 1643 C GLY A 106 13.587 -3.761 11.084 1.00 0.00 C ATOM 1644 O GLY A 106 13.389 -4.741 11.806 1.00 0.00 O ATOM 0 H GLY A 106 12.220 -4.946 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.413 -4.867 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.465 -3.127 9.211 1.00 0.00 H new ATOM 1648 N ASP A 107 13.541 -2.492 11.522 1.00 0.00 N ATOM 1649 CA ASP A 107 12.857 -2.104 12.789 1.00 0.00 C ATOM 1650 C ASP A 107 11.991 -0.823 12.551 1.00 0.00 C ATOM 1651 O ASP A 107 12.186 0.209 13.200 1.00 0.00 O ATOM 1652 CB ASP A 107 13.887 -1.949 13.947 1.00 0.00 C ATOM 1653 CG ASP A 107 14.393 -3.266 14.548 1.00 0.00 C ATOM 1654 OD1 ASP A 107 13.670 -3.872 15.370 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.512 -3.701 14.197 1.00 0.00 O ATOM 0 H ASP A 107 13.966 -1.710 11.025 1.00 0.00 H new ATOM 0 HA ASP A 107 12.175 -2.896 13.100 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.743 -1.384 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.432 -1.357 14.741 1.00 0.00 H new ATOM 1660 N ILE A 108 11.007 -0.913 11.627 1.00 0.00 N ATOM 1661 CA ILE A 108 10.120 0.219 11.248 1.00 0.00 C ATOM 1662 C ILE A 108 8.706 -0.415 11.112 1.00 0.00 C ATOM 1663 O ILE A 108 8.439 -1.153 10.159 1.00 0.00 O ATOM 1664 CB ILE A 108 10.561 0.941 9.920 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.045 1.405 9.843 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.611 2.102 9.522 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.460 2.585 10.735 1.00 0.00 C ATOM 0 H ILE A 108 10.803 -1.774 11.120 1.00 0.00 H new ATOM 0 HA ILE A 108 10.156 1.008 11.999 1.00 0.00 H new ATOM 0 HB ILE A 108 10.478 0.139 9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.678 0.554 10.093 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.262 1.671 8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.965 2.562 8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.604 1.713 9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.595 2.848 10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.517 2.803 10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.868 3.463 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.290 2.328 11.781 1.00 0.00 H new ATOM 1679 N ILE A 109 7.776 -0.058 12.016 1.00 0.00 N ATOM 1680 CA ILE A 109 6.332 -0.403 11.876 1.00 0.00 C ATOM 1681 C ILE A 109 5.707 0.648 10.910 1.00 0.00 C ATOM 1682 O ILE A 109 5.366 1.764 11.314 1.00 0.00 O ATOM 1683 CB ILE A 109 5.629 -0.507 13.276 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.205 -1.621 14.189 1.00 0.00 C ATOM 1685 CG2 ILE A 109 4.084 -0.620 13.214 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.013 -3.071 13.733 1.00 0.00 C ATOM 0 H ILE A 109 7.992 0.473 12.860 1.00 0.00 H new ATOM 0 HA ILE A 109 6.191 -1.394 11.444 1.00 0.00 H new ATOM 0 HB ILE A 109 5.865 0.455 13.731 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.274 -1.443 14.306 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.755 -1.515 15.176 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.683 -0.687 14.225 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.674 0.261 12.719 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.807 -1.513 12.654 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.463 -3.744 14.462 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.948 -3.288 13.648 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.491 -3.214 12.764 1.00 0.00 H new ATOM 1698 N THR A 110 5.563 0.248 9.633 1.00 0.00 N ATOM 1699 CA THR A 110 4.918 1.081 8.589 1.00 0.00 C ATOM 1700 C THR A 110 3.410 0.693 8.573 1.00 0.00 C ATOM 1701 O THR A 110 3.020 -0.293 7.941 1.00 0.00 O ATOM 1702 CB THR A 110 5.631 0.902 7.217 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.019 1.203 7.338 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.065 1.815 6.117 1.00 0.00 C ATOM 0 H THR A 110 5.887 -0.657 9.292 1.00 0.00 H new ATOM 0 HA THR A 110 5.005 2.146 8.805 1.00 0.00 H new ATOM 0 HB THR A 110 5.464 -0.137 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.456 1.085 6.469 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.605 1.641 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.008 1.595 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.180 2.857 6.414 1.00 0.00 H new ATOM 1712 N ASN A 111 2.593 1.471 9.302 1.00 0.00 N ATOM 1713 CA ASN A 111 1.151 1.180 9.512 1.00 0.00 C ATOM 1714 C ASN A 111 0.338 2.184 8.652 1.00 0.00 C ATOM 1715 O ASN A 111 0.116 3.336 9.035 1.00 0.00 O ATOM 1716 CB ASN A 111 0.900 1.176 11.044 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.538 0.913 11.517 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -0.910 -0.204 11.867 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.369 1.937 11.567 1.00 0.00 N ATOM 0 H ASN A 111 2.907 2.323 9.766 1.00 0.00 H new ATOM 0 HA ASN A 111 0.818 0.199 9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.547 0.421 11.491 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.216 2.141 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.325 1.803 11.897 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.056 2.863 11.275 1.00 0.00 H new ATOM 1726 N THR A 112 -0.071 1.700 7.467 1.00 0.00 N ATOM 1727 CA THR A 112 -0.677 2.534 6.402 1.00 0.00 C ATOM 1728 C THR A 112 -2.202 2.240 6.393 1.00 0.00 C ATOM 1729 O THR A 112 -2.639 1.186 5.922 1.00 0.00 O ATOM 1730 CB THR A 112 0.034 2.239 5.049 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.437 2.464 5.164 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.464 3.124 3.897 1.00 0.00 C ATOM 0 H THR A 112 0.008 0.715 7.215 1.00 0.00 H new ATOM 0 HA THR A 112 -0.545 3.601 6.579 1.00 0.00 H new ATOM 0 HB THR A 112 -0.195 1.197 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.870 2.273 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.072 2.867 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.532 2.962 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.286 4.172 4.140 1.00 0.00 H new ATOM 1740 N MET A 113 -2.981 3.196 6.925 1.00 0.00 N ATOM 1741 CA MET A 113 -4.450 3.062 7.097 1.00 0.00 C ATOM 1742 C MET A 113 -5.123 3.983 6.052 1.00 0.00 C ATOM 1743 O MET A 113 -5.136 5.209 6.210 1.00 0.00 O ATOM 1744 CB MET A 113 -4.858 3.467 8.539 1.00 0.00 C ATOM 1745 CG MET A 113 -4.275 2.605 9.673 1.00 0.00 C ATOM 1746 SD MET A 113 -4.608 3.351 11.284 1.00 0.00 S ATOM 1747 CE MET A 113 -6.349 2.953 11.525 1.00 0.00 C ATOM 0 H MET A 113 -2.615 4.090 7.252 1.00 0.00 H new ATOM 0 HA MET A 113 -4.768 2.030 6.947 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.556 4.501 8.704 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.945 3.437 8.609 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.707 1.605 9.634 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.200 2.493 9.535 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.911 3.871 11.698 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.734 2.454 10.636 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.456 2.294 12.387 1.00 0.00 H new ATOM 1757 N THR A 114 -5.649 3.383 4.970 1.00 0.00 N ATOM 1758 CA THR A 114 -6.186 4.144 3.811 1.00 0.00 C ATOM 1759 C THR A 114 -7.721 3.933 3.714 1.00 0.00 C ATOM 1760 O THR A 114 -8.197 2.835 3.408 1.00 0.00 O ATOM 1761 CB THR A 114 -5.374 3.854 2.515 1.00 0.00 C ATOM 1762 OG1 THR A 114 -5.826 4.725 1.482 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.375 2.415 1.966 1.00 0.00 C ATOM 0 H THR A 114 -5.717 2.371 4.867 1.00 0.00 H new ATOM 0 HA THR A 114 -6.050 5.215 3.959 1.00 0.00 H new ATOM 0 HB THR A 114 -4.341 4.022 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.319 4.551 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.767 2.370 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.962 1.740 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.397 2.116 1.732 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.479 5.018 3.953 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.960 5.038 3.765 1.00 0.00 C ATOM 1773 C LEU A 115 -10.504 5.088 2.295 1.00 0.00 C ATOM 1774 O LEU A 115 -11.702 4.864 2.104 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.609 6.090 4.714 1.00 0.00 C ATOM 1776 CG LEU A 115 -10.210 7.587 4.578 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.736 8.247 3.290 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -10.683 8.397 5.800 1.00 0.00 C ATOM 0 H LEU A 115 -8.096 5.905 4.280 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.289 4.040 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -11.689 6.026 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.393 5.785 5.738 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.121 7.597 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.421 9.290 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.336 7.722 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.825 8.197 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.391 9.440 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.768 8.331 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.225 7.994 6.703 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.663 5.393 1.287 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.113 5.628 -0.101 1.00 0.00 C ATOM 1792 C GLY A 116 -9.129 6.581 -0.795 1.00 0.00 C ATOM 1793 O GLY A 116 -8.165 6.133 -1.423 1.00 0.00 O ATOM 0 H GLY A 116 -8.655 5.483 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.168 4.684 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.116 6.056 -0.104 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.374 7.894 -0.645 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.429 8.960 -1.094 1.00 0.00 C ATOM 1799 C ASP A 117 -7.289 9.267 -0.070 1.00 0.00 C ATOM 1800 O ASP A 117 -6.153 9.500 -0.497 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.195 10.270 -1.435 1.00 0.00 C ATOM 1802 CG ASP A 117 -10.133 10.191 -2.651 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -9.652 10.337 -3.796 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -11.352 9.986 -2.460 1.00 0.00 O ATOM 0 H ASP A 117 -10.224 8.256 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.948 8.565 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.781 10.565 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.466 11.061 -1.611 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.587 9.314 1.248 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.645 9.810 2.290 1.00 0.00 C ATOM 1811 C ILE A 118 -5.783 8.600 2.764 1.00 0.00 C ATOM 1812 O ILE A 118 -6.314 7.615 3.286 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.432 10.519 3.450 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.226 11.778 2.970 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.509 10.917 4.631 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.338 12.260 3.915 1.00 0.00 C ATOM 0 H ILE A 118 -8.485 9.011 1.624 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.973 10.571 1.893 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.149 9.775 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.521 12.595 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.669 11.558 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.100 11.403 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.037 10.024 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.740 11.604 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.824 13.137 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.073 11.466 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.907 12.520 4.882 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.455 8.730 2.599 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.474 7.682 2.995 1.00 0.00 C ATOM 1830 C VAL A 119 -2.790 8.193 4.298 1.00 0.00 C ATOM 1831 O VAL A 119 -1.872 9.020 4.246 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.459 7.379 1.835 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.439 6.278 2.214 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.126 6.958 0.502 1.00 0.00 C ATOM 0 H VAL A 119 -4.024 9.559 2.189 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.960 6.725 3.186 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.954 8.334 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.761 6.107 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.867 6.596 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.970 5.354 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.356 6.767 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.712 6.052 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.780 7.758 0.154 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.226 7.661 5.455 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.572 7.924 6.764 1.00 0.00 C ATOM 1846 C PHE A 120 -1.431 6.891 6.996 1.00 0.00 C ATOM 1847 O PHE A 120 -1.648 5.812 7.556 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.654 7.918 7.881 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.180 8.032 9.347 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.296 9.042 9.745 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.635 7.112 10.299 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -1.902 9.150 11.073 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.218 7.206 11.624 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.369 8.238 12.013 1.00 0.00 C ATOM 0 H PHE A 120 -4.034 7.041 5.516 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.103 8.908 6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.340 8.742 7.686 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.228 6.996 7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.918 9.742 9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.313 6.325 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.233 9.942 11.375 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.553 6.479 12.349 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.072 8.331 13.047 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.207 7.273 6.603 1.00 0.00 N ATOM 1865 CA LYS A 121 1.020 6.480 6.874 1.00 0.00 C ATOM 1866 C LYS A 121 1.575 6.832 8.286 1.00 0.00 C ATOM 1867 O LYS A 121 1.607 7.999 8.683 1.00 0.00 O ATOM 1868 CB LYS A 121 2.046 6.758 5.742 1.00 0.00 C ATOM 1869 CG LYS A 121 3.240 5.778 5.684 1.00 0.00 C ATOM 1870 CD LYS A 121 4.250 6.147 4.581 1.00 0.00 C ATOM 1871 CE LYS A 121 5.419 5.150 4.484 1.00 0.00 C ATOM 1872 NZ LYS A 121 6.419 5.583 3.494 1.00 0.00 N ATOM 0 H LYS A 121 -0.031 8.136 6.089 1.00 0.00 H new ATOM 0 HA LYS A 121 0.802 5.412 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.525 6.728 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.432 7.770 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.747 5.770 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.869 4.768 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.734 6.189 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.644 7.144 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.893 5.048 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.037 4.166 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.192 4.888 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.972 5.656 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.801 6.511 3.769 1.00 0.00 H new ATOM 1886 N ARG A 122 2.020 5.804 9.021 1.00 0.00 N ATOM 1887 CA ARG A 122 2.747 5.967 10.308 1.00 0.00 C ATOM 1888 C ARG A 122 4.153 5.338 10.122 1.00 0.00 C ATOM 1889 O ARG A 122 4.259 4.141 9.846 1.00 0.00 O ATOM 1890 CB ARG A 122 2.013 5.224 11.457 1.00 0.00 C ATOM 1891 CG ARG A 122 0.792 5.939 12.074 1.00 0.00 C ATOM 1892 CD ARG A 122 0.315 5.219 13.354 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.777 5.972 14.020 1.00 0.00 N ATOM 1894 CZ ARG A 122 -0.812 6.313 15.323 1.00 0.00 C ATOM 1895 NH1 ARG A 122 0.131 5.998 16.208 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -1.851 7.008 15.750 1.00 0.00 N ATOM 0 H ARG A 122 1.891 4.830 8.748 1.00 0.00 H new ATOM 0 HA ARG A 122 2.806 7.024 10.569 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.686 4.254 11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.733 5.031 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.051 6.971 12.309 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.020 5.972 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.032 4.217 13.102 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.152 5.103 14.042 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.568 6.255 13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.948 5.463 15.914 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.036 6.291 17.180 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.592 7.269 15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.912 7.284 16.730 1.00 0.00 H new ATOM 1910 N ILE A 123 5.224 6.126 10.319 1.00 0.00 N ATOM 1911 CA ILE A 123 6.630 5.617 10.267 1.00 0.00 C ATOM 1912 C ILE A 123 7.076 5.514 11.754 1.00 0.00 C ATOM 1913 O ILE A 123 7.366 6.539 12.376 1.00 0.00 O ATOM 1914 CB ILE A 123 7.546 6.536 9.379 1.00 0.00 C ATOM 1915 CG1 ILE A 123 7.059 6.635 7.898 1.00 0.00 C ATOM 1916 CG2 ILE A 123 9.034 6.090 9.407 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.643 7.799 7.081 1.00 0.00 C ATOM 0 H ILE A 123 5.155 7.124 10.517 1.00 0.00 H new ATOM 0 HA ILE A 123 6.710 4.643 9.784 1.00 0.00 H new ATOM 0 HB ILE A 123 7.468 7.527 9.827 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.303 5.701 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.973 6.724 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.625 6.756 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.407 6.131 10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.115 5.070 9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.238 7.773 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.377 8.745 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.728 7.706 7.040 1.00 0.00 H new ATOM 1929 N SER A 124 7.107 4.288 12.311 1.00 0.00 N ATOM 1930 CA SER A 124 7.340 4.070 13.769 1.00 0.00 C ATOM 1931 C SER A 124 8.650 3.274 14.015 1.00 0.00 C ATOM 1932 O SER A 124 8.680 2.045 13.914 1.00 0.00 O ATOM 1933 CB SER A 124 6.108 3.377 14.398 1.00 0.00 C ATOM 1934 OG SER A 124 5.016 4.280 14.528 1.00 0.00 O ATOM 0 H SER A 124 6.974 3.427 11.781 1.00 0.00 H new ATOM 0 HA SER A 124 7.469 5.036 14.257 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.810 2.530 13.780 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.373 2.980 15.378 1.00 0.00 H new ATOM 0 HG SER A 124 4.252 3.814 14.927 1.00 0.00 H new ATOM 1940 N LYS A 125 9.727 3.994 14.377 1.00 0.00 N ATOM 1941 CA LYS A 125 11.054 3.399 14.701 1.00 0.00 C ATOM 1942 C LYS A 125 11.183 3.071 16.224 1.00 0.00 C ATOM 1943 O LYS A 125 10.610 3.754 17.078 1.00 0.00 O ATOM 1944 CB LYS A 125 12.135 4.409 14.216 1.00 0.00 C ATOM 1945 CG LYS A 125 13.595 3.888 14.218 1.00 0.00 C ATOM 1946 CD LYS A 125 14.639 4.880 13.666 1.00 0.00 C ATOM 1947 CE LYS A 125 14.946 6.062 14.608 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.957 6.962 14.029 1.00 0.00 N ATOM 0 H LYS A 125 9.710 5.011 14.456 1.00 0.00 H new ATOM 0 HA LYS A 125 11.184 2.443 14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.883 4.723 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.085 5.296 14.847 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.870 3.625 15.239 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.639 2.972 13.629 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.565 4.341 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.283 5.272 12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.030 6.620 14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.301 5.683 15.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.141 7.746 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.838 6.434 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.607 7.342 13.126 1.00 0.00 H new ATOM 1962 N ARG A 126 12.017 2.061 16.548 1.00 0.00 N ATOM 1963 CA ARG A 126 12.441 1.727 17.943 1.00 0.00 C ATOM 1964 C ARG A 126 13.011 2.926 18.768 1.00 0.00 C ATOM 1965 O ARG A 126 13.591 3.868 18.216 1.00 0.00 O ATOM 1966 CB ARG A 126 13.546 0.629 17.877 1.00 0.00 C ATOM 1967 CG ARG A 126 13.097 -0.797 17.498 1.00 0.00 C ATOM 1968 CD ARG A 126 12.443 -1.592 18.643 1.00 0.00 C ATOM 1969 NE ARG A 126 12.217 -2.995 18.213 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.204 -4.062 19.033 1.00 0.00 C ATOM 1971 NH1 ARG A 126 12.347 -3.990 20.354 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.038 -5.252 18.488 1.00 0.00 N ATOM 0 H ARG A 126 12.425 1.442 15.848 1.00 0.00 H new ATOM 0 HA ARG A 126 11.536 1.399 18.455 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.299 0.949 17.157 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.035 0.582 18.850 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.392 -0.733 16.669 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.963 -1.352 17.137 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.083 -1.570 19.525 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.496 -1.131 18.924 1.00 0.00 H new ATOM 0 HE ARG A 126 12.059 -3.163 17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.476 -3.084 20.804 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.327 -4.841 20.916 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.925 -5.339 17.478 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.023 -6.085 19.077 1.00 0.00 H new ATOM 1986 N ILE A 127 12.871 2.838 20.107 1.00 0.00 N ATOM 1987 CA ILE A 127 13.409 3.849 21.055 1.00 0.00 C ATOM 1988 C ILE A 127 14.858 3.400 21.346 1.00 0.00 C ATOM 1989 O ILE A 127 15.816 3.999 20.857 1.00 0.00 O ATOM 1990 CB ILE A 127 12.545 3.992 22.361 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.059 4.421 22.139 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.169 5.015 23.347 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.093 3.319 21.675 1.00 0.00 C ATOM 0 H ILE A 127 12.384 2.068 20.565 1.00 0.00 H new ATOM 0 HA ILE A 127 13.379 4.849 20.622 1.00 0.00 H new ATOM 0 HB ILE A 127 12.544 2.980 22.766 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.680 4.837 23.073 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.041 5.224 21.402 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.546 5.088 24.238 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.169 4.685 23.630 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.232 5.992 22.867 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.094 3.738 21.556 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.433 2.915 20.722 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.066 2.522 22.418 1.00 0.00 H new