USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 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 100 ASN : amide:sc= -1.76 K(o=-3.4,f=-5.2!) USER MOD Set 1.2: A 119 TYR OH : rot 165:sc= -1.68 USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -8.45! C(o=-11!,f=-7.3!) USER MOD Set 2.2: A 117 TYR OH : rot -81:sc= 1.13 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -153:sc= -0.385 (180deg=-1.77) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= -0.0478 USER MOD Set 4.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 48 THR OG1 : rot 180:sc= -2.69! USER MOD Set 5.1: A 11 SER OG : rot -80:sc= 1.72 USER MOD Set 5.2: A 33 HIS : no HE2:sc= -0.929 K(o=0.79,f=-11!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.65 K(o=-2.7,f=-6.6!) USER MOD Single : A 14 TYR OH : rot -107:sc= 0.0509 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -117:sc= -10.2! (180deg=-16!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -134:sc= -2.44! (180deg=-7.05!) USER MOD Single : A 24 ASN : amide:sc= -4.9 K(o=-4.9,f=-9.6!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0.0183 (180deg=0.00504) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.108 (180deg=-0.645) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 39 THR OG1 : rot 97:sc= 0.635 USER MOD Single : A 42 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -1.22 (180deg=-2.51!) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.717 (180deg=-1.58!) USER MOD Single : A 53 SER OG : rot -5:sc= 0.583 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00539 USER MOD Single : A 69 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.75) USER MOD Single : A 70 TYR OH : rot -152:sc= -0.144 USER MOD Single : A 71 ASN : amide:sc= 0.133 K(o=0.13,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot 49:sc= 1.45 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= -0.826 (180deg=-1.47) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.579 (180deg=-1.92!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.36) USER MOD Single : A 103 ASN : amide:sc= -1.05 X(o=-1,f=-1.2) USER MOD Single : A 104 THR OG1 : rot -27:sc= -1.15 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 179:sc= -2.02 (180deg=-2.08) USER MOD Single : A 129 LYS NZ :NH3+ 147:sc= -0.055 (180deg=-0.606) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 KTR O3 : rot -105:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.004 0.487 17.662 1.00 0.00 N ATOM 2 CA ALA A 1 -3.820 -0.672 17.215 1.00 0.00 C ATOM 3 C ALA A 1 -3.732 -0.852 15.703 1.00 0.00 C ATOM 4 O ALA A 1 -4.714 -0.663 14.986 1.00 0.00 O ATOM 5 CB ALA A 1 -5.269 -0.493 17.643 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.081 0.588 18.694 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.009 0.332 17.402 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.351 1.353 17.203 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.422 -1.570 17.687 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.855 -1.349 17.309 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.321 -0.419 18.729 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.670 0.417 17.198 1.00 0.00 H new ATOM 13 N PHE A 2 -2.547 -1.218 15.224 1.00 0.00 N ATOM 14 CA PHE A 2 -2.331 -1.424 13.797 1.00 0.00 C ATOM 15 C PHE A 2 -2.629 -2.867 13.403 1.00 0.00 C ATOM 16 O PHE A 2 -3.302 -3.123 12.405 1.00 0.00 O ATOM 17 CB PHE A 2 -0.892 -1.065 13.421 1.00 0.00 C ATOM 18 CG PHE A 2 -0.743 0.331 12.888 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.394 0.714 11.726 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.045 1.260 13.547 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.261 1.997 11.232 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.182 2.545 13.058 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.472 2.914 11.899 1.00 0.00 C ATOM 0 H PHE A 2 -1.723 -1.378 15.803 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.014 -0.771 13.254 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.256 -1.180 14.299 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.533 -1.772 12.672 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.012 0.001 11.201 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.558 0.977 14.454 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.773 2.283 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.800 3.260 13.581 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.367 3.918 11.515 1.00 0.00 H new ATOM 33 N ASP A 3 -2.123 -3.807 14.197 1.00 0.00 N ATOM 34 CA ASP A 3 -2.333 -5.229 13.936 1.00 0.00 C ATOM 35 C ASP A 3 -3.822 -5.554 13.883 1.00 0.00 C ATOM 36 O ASP A 3 -4.515 -5.496 14.898 1.00 0.00 O ATOM 37 CB ASP A 3 -1.654 -6.074 15.016 1.00 0.00 C ATOM 38 CG ASP A 3 -0.270 -5.563 15.368 1.00 0.00 C ATOM 39 OD1 ASP A 3 0.629 -5.640 14.505 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.086 -5.086 16.507 1.00 0.00 O ATOM 0 H ASP A 3 -1.564 -3.610 15.027 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.890 -5.466 12.969 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.275 -6.080 15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.580 -7.106 14.673 1.00 0.00 H new ATOM 45 N SER A 4 -4.311 -5.890 12.691 1.00 0.00 N ATOM 46 CA SER A 4 -5.723 -6.215 12.506 1.00 0.00 C ATOM 47 C SER A 4 -6.056 -6.387 11.026 1.00 0.00 C ATOM 48 O SER A 4 -5.197 -6.219 10.160 1.00 0.00 O ATOM 49 CB SER A 4 -6.597 -5.104 13.096 1.00 0.00 C ATOM 50 OG SER A 4 -7.548 -5.629 14.006 1.00 0.00 O ATOM 0 H SER A 4 -3.751 -5.944 11.840 1.00 0.00 H new ATOM 0 HA SER A 4 -5.923 -7.155 13.021 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.967 -4.374 13.605 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.111 -4.577 12.292 1.00 0.00 H new ATOM 0 HG SER A 4 -8.091 -4.899 14.369 1.00 0.00 H new ATOM 56 N THR A 5 -7.320 -6.695 10.743 1.00 0.00 N ATOM 57 CA THR A 5 -7.781 -6.856 9.369 1.00 0.00 C ATOM 58 C THR A 5 -8.235 -5.504 8.840 1.00 0.00 C ATOM 59 O THR A 5 -9.076 -4.846 9.454 1.00 0.00 O ATOM 60 CB THR A 5 -8.931 -7.863 9.300 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.508 -9.140 9.746 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.497 -8.028 7.906 1.00 0.00 C ATOM 0 H THR A 5 -8.042 -6.838 11.449 1.00 0.00 H new ATOM 0 HA THR A 5 -6.963 -7.236 8.757 1.00 0.00 H new ATOM 0 HB THR A 5 -9.710 -7.458 9.946 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.258 -9.769 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.308 -8.755 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.877 -7.070 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.713 -8.378 7.234 1.00 0.00 H new ATOM 70 N TRP A 6 -7.661 -5.067 7.724 1.00 0.00 N ATOM 71 CA TRP A 6 -8.009 -3.768 7.171 1.00 0.00 C ATOM 72 C TRP A 6 -8.679 -3.890 5.811 1.00 0.00 C ATOM 73 O TRP A 6 -8.147 -4.497 4.883 1.00 0.00 O ATOM 74 CB TRP A 6 -6.761 -2.879 7.057 1.00 0.00 C ATOM 75 CG TRP A 6 -6.157 -2.496 8.371 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.110 -3.249 9.506 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.499 -1.264 8.678 1.00 0.00 C ATOM 78 NE1 TRP A 6 -5.478 -2.556 10.507 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.092 -1.335 10.023 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.219 -0.106 7.948 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.420 -0.295 10.654 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.549 0.926 8.575 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.157 0.827 9.917 1.00 0.00 C ATOM 0 H TRP A 6 -6.962 -5.587 7.193 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.721 -3.308 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.010 -3.401 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -7.024 -1.972 6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.512 -4.247 9.603 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.321 -2.895 11.456 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.520 -0.020 6.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.117 -0.370 11.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.323 1.825 8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.637 1.653 10.379 1.00 0.00 H new ATOM 94 N LYS A 7 -9.839 -3.263 5.703 1.00 0.00 N ATOM 95 CA LYS A 7 -10.590 -3.242 4.458 1.00 0.00 C ATOM 96 C LYS A 7 -10.748 -1.807 3.981 1.00 0.00 C ATOM 97 O LYS A 7 -11.347 -0.967 4.658 1.00 0.00 O ATOM 98 CB LYS A 7 -11.954 -3.913 4.626 1.00 0.00 C ATOM 99 CG LYS A 7 -12.901 -3.158 5.545 1.00 0.00 C ATOM 100 CD LYS A 7 -14.191 -3.932 5.775 1.00 0.00 C ATOM 101 CE LYS A 7 -15.400 -3.173 5.249 1.00 0.00 C ATOM 102 NZ LYS A 7 -16.373 -4.077 4.575 1.00 0.00 N ATOM 0 H LYS A 7 -10.284 -2.758 6.469 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.038 -3.807 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.420 -4.018 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.807 -4.919 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.411 -2.973 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.132 -2.185 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.127 -4.902 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.316 -4.124 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.893 -2.659 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.070 -2.407 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.182 -3.522 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.910 -4.548 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.707 -4.793 5.251 1.00 0.00 H new ATOM 116 N VAL A 8 -10.177 -1.530 2.822 1.00 0.00 N ATOM 117 CA VAL A 8 -10.218 -0.199 2.250 1.00 0.00 C ATOM 118 C VAL A 8 -11.631 0.181 1.810 1.00 0.00 C ATOM 119 O VAL A 8 -12.375 -0.649 1.287 1.00 0.00 O ATOM 120 CB VAL A 8 -9.240 -0.092 1.065 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.825 -0.711 -0.199 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.860 1.355 0.834 1.00 0.00 C ATOM 0 H VAL A 8 -9.677 -2.216 2.256 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.912 0.503 3.025 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.340 -0.655 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.108 -0.618 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.039 -1.765 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.747 -0.193 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.168 1.420 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.756 1.935 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.382 1.753 1.729 1.00 0.00 H new ATOM 132 N ASP A 9 -11.994 1.442 2.030 1.00 0.00 N ATOM 133 CA ASP A 9 -13.318 1.933 1.663 1.00 0.00 C ATOM 134 C ASP A 9 -13.281 2.664 0.325 1.00 0.00 C ATOM 135 O ASP A 9 -13.727 2.134 -0.693 1.00 0.00 O ATOM 136 CB ASP A 9 -13.861 2.862 2.751 1.00 0.00 C ATOM 137 CG ASP A 9 -15.212 3.453 2.395 1.00 0.00 C ATOM 138 OD1 ASP A 9 -15.244 4.447 1.640 1.00 0.00 O ATOM 139 OD2 ASP A 9 -16.237 2.921 2.871 1.00 0.00 O ATOM 0 H ASP A 9 -11.390 2.142 2.461 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.980 1.073 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.946 2.309 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.149 3.670 2.922 1.00 0.00 H new ATOM 144 N ARG A 10 -12.751 3.884 0.330 1.00 0.00 N ATOM 145 CA ARG A 10 -12.667 4.674 -0.892 1.00 0.00 C ATOM 146 C ARG A 10 -11.216 4.958 -1.260 1.00 0.00 C ATOM 147 O ARG A 10 -10.312 4.796 -0.439 1.00 0.00 O ATOM 148 CB ARG A 10 -13.449 5.986 -0.746 1.00 0.00 C ATOM 149 CG ARG A 10 -12.726 7.057 0.048 1.00 0.00 C ATOM 150 CD ARG A 10 -13.469 8.385 0.010 1.00 0.00 C ATOM 151 NE ARG A 10 -14.065 8.652 -1.299 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.275 8.232 -1.666 1.00 0.00 C ATOM 153 NH1 ARG A 10 -16.018 7.511 -0.835 1.00 0.00 N ATOM 154 NH2 ARG A 10 -15.742 8.532 -2.871 1.00 0.00 N ATOM 0 H ARG A 10 -12.376 4.343 1.160 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.115 4.093 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.672 6.375 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.404 5.775 -0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.616 6.731 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.721 7.191 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.251 8.383 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.781 9.191 0.264 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.521 9.193 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.664 7.275 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.943 7.193 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.175 9.083 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.668 8.211 -3.153 1.00 0.00 H new ATOM 168 N SER A 11 -11.002 5.377 -2.500 1.00 0.00 N ATOM 169 CA SER A 11 -9.662 5.678 -2.982 1.00 0.00 C ATOM 170 C SER A 11 -9.671 6.906 -3.887 1.00 0.00 C ATOM 171 O SER A 11 -10.724 7.334 -4.360 1.00 0.00 O ATOM 172 CB SER A 11 -9.096 4.472 -3.734 1.00 0.00 C ATOM 173 OG SER A 11 -9.696 4.338 -5.011 1.00 0.00 O ATOM 0 H SER A 11 -11.740 5.516 -3.190 1.00 0.00 H new ATOM 0 HA SER A 11 -9.027 5.895 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.017 4.583 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.265 3.565 -3.153 1.00 0.00 H new ATOM 0 HG SER A 11 -10.569 3.903 -4.918 1.00 0.00 H new ATOM 179 N GLU A 12 -8.491 7.466 -4.120 1.00 0.00 N ATOM 180 CA GLU A 12 -8.355 8.644 -4.967 1.00 0.00 C ATOM 181 C GLU A 12 -7.024 8.615 -5.709 1.00 0.00 C ATOM 182 O GLU A 12 -5.967 8.454 -5.099 1.00 0.00 O ATOM 183 CB GLU A 12 -8.462 9.919 -4.126 1.00 0.00 C ATOM 184 CG GLU A 12 -9.424 10.947 -4.700 1.00 0.00 C ATOM 185 CD GLU A 12 -9.987 11.874 -3.641 1.00 0.00 C ATOM 186 OE1 GLU A 12 -9.342 12.025 -2.582 1.00 0.00 O ATOM 187 OE2 GLU A 12 -11.071 12.448 -3.871 1.00 0.00 O ATOM 0 H GLU A 12 -7.612 7.122 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.163 8.638 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.785 9.654 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.473 10.369 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.909 11.537 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.244 10.432 -5.200 1.00 0.00 H new ATOM 194 N ASN A 13 -7.083 8.766 -7.027 1.00 0.00 N ATOM 195 CA ASN A 13 -5.887 8.752 -7.850 1.00 0.00 C ATOM 196 C ASN A 13 -5.171 7.406 -7.755 1.00 0.00 C ATOM 197 O ASN A 13 -4.012 7.270 -8.159 1.00 0.00 O ATOM 198 CB ASN A 13 -4.955 9.877 -7.427 1.00 0.00 C ATOM 199 CG ASN A 13 -5.058 11.088 -8.333 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.530 10.992 -9.466 1.00 0.00 O ATOM 201 ND2 ASN A 13 -4.615 12.238 -7.837 1.00 0.00 N ATOM 0 H ASN A 13 -7.950 8.900 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.182 8.903 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.188 10.172 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.928 9.513 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.659 13.087 -8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.231 12.272 -6.893 1.00 0.00 H new ATOM 208 N TYR A 14 -5.862 6.396 -7.235 1.00 0.00 N ATOM 209 CA TYR A 14 -5.265 5.079 -7.125 1.00 0.00 C ATOM 210 C TYR A 14 -4.779 4.640 -8.501 1.00 0.00 C ATOM 211 O TYR A 14 -3.681 4.104 -8.648 1.00 0.00 O ATOM 212 CB TYR A 14 -6.264 4.076 -6.547 1.00 0.00 C ATOM 213 CG TYR A 14 -5.611 2.953 -5.772 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.498 2.294 -6.276 1.00 0.00 C ATOM 215 CD2 TYR A 14 -6.106 2.551 -4.538 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.896 1.270 -5.574 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.508 1.527 -3.828 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.403 0.890 -4.351 1.00 0.00 C ATOM 219 OH TYR A 14 -3.805 -0.130 -3.648 1.00 0.00 O ATOM 0 H TYR A 14 -6.819 6.466 -6.890 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.417 5.120 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.958 4.603 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.852 3.651 -7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.096 2.588 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.973 3.047 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.031 0.768 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.904 1.228 -2.869 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.369 -0.930 -3.689 1.00 0.00 H new ATOM 229 N ASP A 15 -5.589 4.923 -9.519 1.00 0.00 N ATOM 230 CA ASP A 15 -5.224 4.603 -10.893 1.00 0.00 C ATOM 231 C ASP A 15 -3.919 5.304 -11.242 1.00 0.00 C ATOM 232 O ASP A 15 -3.081 4.771 -11.969 1.00 0.00 O ATOM 233 CB ASP A 15 -6.324 5.052 -11.856 1.00 0.00 C ATOM 234 CG ASP A 15 -6.291 4.292 -13.167 1.00 0.00 C ATOM 235 OD1 ASP A 15 -5.181 4.054 -13.688 1.00 0.00 O ATOM 236 OD2 ASP A 15 -7.376 3.934 -13.673 1.00 0.00 O ATOM 0 H ASP A 15 -6.499 5.372 -9.417 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.100 3.524 -10.986 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.296 4.913 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.216 6.118 -12.055 1.00 0.00 H new ATOM 241 N LYS A 16 -3.757 6.505 -10.693 1.00 0.00 N ATOM 242 CA LYS A 16 -2.559 7.308 -10.905 1.00 0.00 C ATOM 243 C LYS A 16 -1.311 6.467 -10.703 1.00 0.00 C ATOM 244 O LYS A 16 -0.334 6.592 -11.443 1.00 0.00 O ATOM 245 CB LYS A 16 -2.560 8.492 -9.935 1.00 0.00 C ATOM 246 CG LYS A 16 -1.898 9.746 -10.473 1.00 0.00 C ATOM 247 CD LYS A 16 -2.912 10.847 -10.699 1.00 0.00 C ATOM 248 CE LYS A 16 -2.453 11.822 -11.771 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.922 13.209 -11.497 1.00 0.00 N ATOM 0 H LYS A 16 -4.451 6.947 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.558 7.680 -11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.591 8.726 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.053 8.194 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.137 10.088 -9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.390 9.519 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.866 10.409 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.080 11.385 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.365 11.812 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.827 11.497 -12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.588 13.843 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.961 13.224 -11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.544 13.529 -10.582 1.00 0.00 H new ATOM 263 N PHE A 17 -1.351 5.615 -9.693 1.00 0.00 N ATOM 264 CA PHE A 17 -0.218 4.754 -9.387 1.00 0.00 C ATOM 265 C PHE A 17 -0.140 3.588 -10.361 1.00 0.00 C ATOM 266 O PHE A 17 0.935 3.038 -10.598 1.00 0.00 O ATOM 267 CB PHE A 17 -0.305 4.266 -7.939 1.00 0.00 C ATOM 268 CG PHE A 17 0.038 5.348 -6.969 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.442 6.630 -7.185 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.858 5.108 -5.870 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.118 7.660 -6.340 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.181 6.141 -5.012 1.00 0.00 C ATOM 273 CZ PHE A 17 0.696 7.419 -5.250 1.00 0.00 C ATOM 0 H PHE A 17 -2.152 5.500 -9.072 1.00 0.00 H new ATOM 0 HA PHE A 17 0.699 5.332 -9.499 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.313 3.903 -7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.372 3.423 -7.798 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.082 6.821 -8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.241 4.115 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.497 8.654 -6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.811 5.954 -4.155 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.955 8.227 -4.582 1.00 0.00 H new ATOM 283 N MET A 18 -1.279 3.219 -10.932 1.00 0.00 N ATOM 284 CA MET A 18 -1.327 2.128 -11.885 1.00 0.00 C ATOM 285 C MET A 18 -0.739 2.537 -13.237 1.00 0.00 C ATOM 286 O MET A 18 -0.212 1.697 -13.967 1.00 0.00 O ATOM 287 CB MET A 18 -2.766 1.654 -12.065 1.00 0.00 C ATOM 288 CG MET A 18 -3.460 1.264 -10.765 1.00 0.00 C ATOM 289 SD MET A 18 -2.400 0.355 -9.617 1.00 0.00 S ATOM 290 CE MET A 18 -1.771 1.678 -8.590 1.00 0.00 C ATOM 0 H MET A 18 -2.180 3.662 -10.749 1.00 0.00 H new ATOM 0 HA MET A 18 -0.722 1.312 -11.489 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.340 2.445 -12.548 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.773 0.798 -12.739 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.823 2.166 -10.273 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.333 0.655 -10.999 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.689 1.744 -8.703 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.226 2.621 -8.893 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.015 1.476 -7.547 1.00 0.00 H new ATOM 300 N GLU A 19 -0.845 3.822 -13.583 1.00 0.00 N ATOM 301 CA GLU A 19 -0.335 4.297 -14.870 1.00 0.00 C ATOM 302 C GLU A 19 1.145 4.690 -14.819 1.00 0.00 C ATOM 303 O GLU A 19 1.967 4.121 -15.538 1.00 0.00 O ATOM 304 CB GLU A 19 -1.164 5.486 -15.359 1.00 0.00 C ATOM 305 CG GLU A 19 -2.663 5.297 -15.187 1.00 0.00 C ATOM 306 CD GLU A 19 -3.198 4.125 -15.985 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.059 2.975 -15.517 1.00 0.00 O ATOM 308 OE2 GLU A 19 -3.757 4.356 -17.078 1.00 0.00 O ATOM 0 H GLU A 19 -1.272 4.542 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.424 3.464 -15.567 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.855 6.380 -14.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.947 5.660 -16.413 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.888 5.146 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.178 6.207 -15.495 1.00 0.00 H new ATOM 315 N LYS A 20 1.477 5.673 -13.987 1.00 0.00 N ATOM 316 CA LYS A 20 2.852 6.148 -13.869 1.00 0.00 C ATOM 317 C LYS A 20 3.823 5.007 -13.579 1.00 0.00 C ATOM 318 O LYS A 20 4.872 4.900 -14.215 1.00 0.00 O ATOM 319 CB LYS A 20 2.936 7.198 -12.772 1.00 0.00 C ATOM 320 CG LYS A 20 4.249 7.957 -12.756 1.00 0.00 C ATOM 321 CD LYS A 20 4.103 9.368 -13.308 1.00 0.00 C ATOM 322 CE LYS A 20 5.428 9.885 -13.834 1.00 0.00 C ATOM 323 NZ LYS A 20 5.493 9.843 -15.321 1.00 0.00 N ATOM 0 H LYS A 20 0.812 6.157 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 20 3.140 6.588 -14.824 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.118 7.907 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.794 6.714 -11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.627 8.005 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.988 7.413 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.362 9.375 -14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.734 10.032 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.578 10.909 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.240 9.289 -13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.415 10.205 -15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.376 8.862 -15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.734 10.433 -15.718 1.00 0.00 H new ATOM 337 N MET A 21 3.474 4.160 -12.618 1.00 0.00 N ATOM 338 CA MET A 21 4.327 3.035 -12.254 1.00 0.00 C ATOM 339 C MET A 21 4.169 1.882 -13.239 1.00 0.00 C ATOM 340 O MET A 21 5.087 1.084 -13.425 1.00 0.00 O ATOM 341 CB MET A 21 4.006 2.556 -10.837 1.00 0.00 C ATOM 342 CG MET A 21 4.234 3.615 -9.770 1.00 0.00 C ATOM 343 SD MET A 21 2.949 3.618 -8.505 1.00 0.00 S ATOM 344 CE MET A 21 2.755 1.862 -8.209 1.00 0.00 C ATOM 0 H MET A 21 2.611 4.230 -12.079 1.00 0.00 H new ATOM 0 HA MET A 21 5.361 3.378 -12.289 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.966 2.232 -10.799 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.620 1.685 -10.609 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.202 3.447 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.276 4.597 -10.242 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.694 1.612 -8.188 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.244 1.302 -9.006 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.208 1.602 -7.252 1.00 0.00 H new ATOM 354 N GLY A 22 2.999 1.793 -13.865 1.00 0.00 N ATOM 355 CA GLY A 22 2.751 0.726 -14.814 1.00 0.00 C ATOM 356 C GLY A 22 2.243 -0.528 -14.136 1.00 0.00 C ATOM 357 O GLY A 22 2.690 -1.635 -14.438 1.00 0.00 O ATOM 0 H GLY A 22 2.221 2.439 -13.732 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.022 1.060 -15.553 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.671 0.499 -15.354 1.00 0.00 H new ATOM 361 N VAL A 23 1.304 -0.351 -13.215 1.00 0.00 N ATOM 362 CA VAL A 23 0.725 -1.471 -12.482 1.00 0.00 C ATOM 363 C VAL A 23 -0.337 -2.167 -13.323 1.00 0.00 C ATOM 364 O VAL A 23 -1.265 -1.529 -13.819 1.00 0.00 O ATOM 365 CB VAL A 23 0.096 -1.004 -11.155 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.220 -2.185 -10.250 1.00 0.00 C ATOM 367 CG2 VAL A 23 1.009 -0.015 -10.445 1.00 0.00 C ATOM 0 H VAL A 23 0.926 0.560 -12.957 1.00 0.00 H new ATOM 0 HA VAL A 23 1.532 -2.170 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.842 -0.501 -11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.663 -1.824 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.922 -2.850 -10.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.698 -2.728 -10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.546 0.302 -9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.966 -0.491 -10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.170 0.854 -11.083 1.00 0.00 H new ATOM 377 N ASN A 24 -0.191 -3.477 -13.490 1.00 0.00 N ATOM 378 CA ASN A 24 -1.133 -4.253 -14.283 1.00 0.00 C ATOM 379 C ASN A 24 -2.564 -4.060 -13.795 1.00 0.00 C ATOM 380 O ASN A 24 -2.903 -4.405 -12.663 1.00 0.00 O ATOM 381 CB ASN A 24 -0.773 -5.741 -14.261 1.00 0.00 C ATOM 382 CG ASN A 24 0.036 -6.152 -13.045 1.00 0.00 C ATOM 383 OD1 ASN A 24 1.032 -6.866 -13.160 1.00 0.00 O ATOM 384 ND2 ASN A 24 -0.389 -5.700 -11.871 1.00 0.00 N ATOM 0 H ASN A 24 0.571 -4.022 -13.086 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.067 -3.889 -15.308 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.690 -6.329 -14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.208 -5.983 -15.161 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.115 -5.942 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.220 -5.110 -11.822 1.00 0.00 H new ATOM 391 N ILE A 25 -3.396 -3.510 -14.670 1.00 0.00 N ATOM 392 CA ILE A 25 -4.797 -3.264 -14.363 1.00 0.00 C ATOM 393 C ILE A 25 -5.458 -4.506 -13.766 1.00 0.00 C ATOM 394 O ILE A 25 -6.295 -4.405 -12.868 1.00 0.00 O ATOM 395 CB ILE A 25 -5.568 -2.814 -15.625 1.00 0.00 C ATOM 396 CG1 ILE A 25 -6.824 -2.034 -15.233 1.00 0.00 C ATOM 397 CG2 ILE A 25 -5.926 -4.006 -16.504 1.00 0.00 C ATOM 398 CD1 ILE A 25 -7.858 -2.870 -14.512 1.00 0.00 C ATOM 0 H ILE A 25 -3.119 -3.223 -15.609 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.834 -2.463 -13.625 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.918 -2.157 -16.203 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.537 -1.197 -14.596 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.274 -1.611 -16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.468 -3.659 -17.384 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.014 -4.515 -16.816 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.553 -4.698 -15.941 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.720 -2.250 -14.266 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.174 -3.692 -15.155 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.426 -3.272 -13.595 1.00 0.00 H new ATOM 410 N VAL A 26 -5.068 -5.677 -14.265 1.00 0.00 N ATOM 411 CA VAL A 26 -5.616 -6.940 -13.776 1.00 0.00 C ATOM 412 C VAL A 26 -5.566 -6.997 -12.254 1.00 0.00 C ATOM 413 O VAL A 26 -6.597 -7.123 -11.593 1.00 0.00 O ATOM 414 CB VAL A 26 -4.849 -8.146 -14.350 1.00 0.00 C ATOM 415 CG1 VAL A 26 -5.553 -9.446 -13.992 1.00 0.00 C ATOM 416 CG2 VAL A 26 -4.695 -8.012 -15.858 1.00 0.00 C ATOM 0 H VAL A 26 -4.375 -5.777 -15.007 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.653 -6.990 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.853 -8.165 -13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.997 -10.287 -14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.606 -9.544 -12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.562 -9.439 -14.405 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.151 -8.873 -16.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.680 -7.966 -16.322 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.143 -7.100 -16.088 1.00 0.00 H new ATOM 426 N LYS A 27 -4.362 -6.885 -11.704 1.00 0.00 N ATOM 427 CA LYS A 27 -4.180 -6.905 -10.259 1.00 0.00 C ATOM 428 C LYS A 27 -4.644 -5.584 -9.655 1.00 0.00 C ATOM 429 O LYS A 27 -5.102 -5.535 -8.514 1.00 0.00 O ATOM 430 CB LYS A 27 -2.713 -7.157 -9.907 1.00 0.00 C ATOM 431 CG LYS A 27 -2.246 -8.569 -10.223 1.00 0.00 C ATOM 432 CD LYS A 27 -1.553 -8.637 -11.574 1.00 0.00 C ATOM 433 CE LYS A 27 -1.896 -9.920 -12.312 1.00 0.00 C ATOM 434 NZ LYS A 27 -1.217 -10.000 -13.635 1.00 0.00 N ATOM 0 H LYS A 27 -3.499 -6.780 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.780 -7.715 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.090 -6.447 -10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.564 -6.963 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.563 -8.910 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.100 -9.246 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.847 -7.779 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.474 -8.574 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.607 -10.777 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.975 -9.979 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.309 -10.964 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.657 -9.325 -14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.210 -9.767 -13.523 1.00 0.00 H new ATOM 448 N ARG A 28 -4.528 -4.515 -10.439 1.00 0.00 N ATOM 449 CA ARG A 28 -4.942 -3.190 -9.998 1.00 0.00 C ATOM 450 C ARG A 28 -6.435 -3.186 -9.672 1.00 0.00 C ATOM 451 O ARG A 28 -6.886 -2.455 -8.793 1.00 0.00 O ATOM 452 CB ARG A 28 -4.586 -2.147 -11.081 1.00 0.00 C ATOM 453 CG ARG A 28 -5.763 -1.386 -11.684 1.00 0.00 C ATOM 454 CD ARG A 28 -6.396 -0.412 -10.698 1.00 0.00 C ATOM 455 NE ARG A 28 -6.972 0.747 -11.375 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.590 1.742 -10.745 1.00 0.00 C ATOM 457 NH1 ARG A 28 -7.663 1.754 -9.421 1.00 0.00 N ATOM 458 NH2 ARG A 28 -8.129 2.733 -11.440 1.00 0.00 N ATOM 0 H ARG A 28 -4.149 -4.543 -11.386 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.408 -2.922 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.894 -1.424 -10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.055 -2.654 -11.886 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.425 -0.839 -12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.517 -2.097 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.172 -0.924 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.644 -0.079 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.896 0.796 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.244 0.997 -8.880 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.138 2.520 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.070 2.733 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.603 3.496 -10.957 1.00 0.00 H new ATOM 472 N LYS A 29 -7.194 -4.016 -10.383 1.00 0.00 N ATOM 473 CA LYS A 29 -8.635 -4.116 -10.172 1.00 0.00 C ATOM 474 C LYS A 29 -8.967 -4.410 -8.711 1.00 0.00 C ATOM 475 O LYS A 29 -9.812 -3.744 -8.112 1.00 0.00 O ATOM 476 CB LYS A 29 -9.224 -5.209 -11.061 1.00 0.00 C ATOM 477 CG LYS A 29 -9.658 -4.707 -12.428 1.00 0.00 C ATOM 478 CD LYS A 29 -9.161 -5.619 -13.536 1.00 0.00 C ATOM 479 CE LYS A 29 -9.893 -5.361 -14.843 1.00 0.00 C ATOM 480 NZ LYS A 29 -11.350 -5.645 -14.729 1.00 0.00 N ATOM 0 H LYS A 29 -6.833 -4.631 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.075 -3.154 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.485 -5.999 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.082 -5.654 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.746 -4.645 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.275 -3.699 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.091 -5.467 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.298 -6.659 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.748 -4.323 -15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.463 -5.982 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.741 -5.840 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.495 -6.473 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.833 -4.821 -14.318 1.00 0.00 H new ATOM 494 N LEU A 30 -8.305 -5.414 -8.146 1.00 0.00 N ATOM 495 CA LEU A 30 -8.541 -5.798 -6.760 1.00 0.00 C ATOM 496 C LEU A 30 -7.854 -4.834 -5.796 1.00 0.00 C ATOM 497 O LEU A 30 -8.219 -4.746 -4.625 1.00 0.00 O ATOM 498 CB LEU A 30 -8.046 -7.225 -6.512 1.00 0.00 C ATOM 499 CG LEU A 30 -8.327 -8.217 -7.645 1.00 0.00 C ATOM 500 CD1 LEU A 30 -7.127 -9.123 -7.874 1.00 0.00 C ATOM 501 CD2 LEU A 30 -9.568 -9.042 -7.337 1.00 0.00 C ATOM 0 H LEU A 30 -7.602 -5.976 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.615 -5.755 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.971 -7.194 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.509 -7.600 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.508 -7.651 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.347 -9.820 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.260 -8.518 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.913 -9.681 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.752 -9.741 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.416 -9.597 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.427 -8.380 -7.226 1.00 0.00 H new ATOM 513 N ALA A 31 -6.855 -4.117 -6.293 1.00 0.00 N ATOM 514 CA ALA A 31 -6.117 -3.165 -5.475 1.00 0.00 C ATOM 515 C ALA A 31 -6.702 -1.758 -5.581 1.00 0.00 C ATOM 516 O ALA A 31 -6.359 -0.879 -4.795 1.00 0.00 O ATOM 517 CB ALA A 31 -4.650 -3.157 -5.874 1.00 0.00 C ATOM 0 H ALA A 31 -6.537 -4.177 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.204 -3.482 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.109 -2.441 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.229 -4.152 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.560 -2.872 -6.922 1.00 0.00 H new ATOM 523 N ALA A 32 -7.566 -1.541 -6.570 1.00 0.00 N ATOM 524 CA ALA A 32 -8.163 -0.227 -6.783 1.00 0.00 C ATOM 525 C ALA A 32 -8.855 0.303 -5.531 1.00 0.00 C ATOM 526 O ALA A 32 -8.629 1.448 -5.142 1.00 0.00 O ATOM 527 CB ALA A 32 -9.146 -0.282 -7.942 1.00 0.00 C ATOM 0 H ALA A 32 -7.867 -2.255 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.354 0.463 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.586 0.704 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.623 -0.589 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.934 -1.001 -7.717 1.00 0.00 H new ATOM 533 N HIS A 33 -9.686 -0.528 -4.893 1.00 0.00 N ATOM 534 CA HIS A 33 -10.392 -0.118 -3.674 1.00 0.00 C ATOM 535 C HIS A 33 -11.573 -1.034 -3.360 1.00 0.00 C ATOM 536 O HIS A 33 -11.830 -1.351 -2.199 1.00 0.00 O ATOM 537 CB HIS A 33 -10.902 1.321 -3.793 1.00 0.00 C ATOM 538 CG HIS A 33 -11.594 1.607 -5.088 1.00 0.00 C ATOM 539 ND1 HIS A 33 -11.061 2.417 -6.068 1.00 0.00 N ATOM 540 CD2 HIS A 33 -12.789 1.184 -5.561 1.00 0.00 C ATOM 541 CE1 HIS A 33 -11.899 2.482 -7.087 1.00 0.00 C ATOM 542 NE2 HIS A 33 -12.955 1.741 -6.805 1.00 0.00 N ATOM 0 H HIS A 33 -9.885 -1.481 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.669 -0.188 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -11.589 1.523 -2.971 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.061 2.006 -3.681 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.160 2.892 -6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.483 0.530 -5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.746 3.045 -7.996 1.00 0.00 H new ATOM 551 N ASP A 34 -12.304 -1.429 -4.394 1.00 0.00 N ATOM 552 CA ASP A 34 -13.478 -2.279 -4.221 1.00 0.00 C ATOM 553 C ASP A 34 -13.120 -3.650 -3.657 1.00 0.00 C ATOM 554 O ASP A 34 -13.697 -4.088 -2.661 1.00 0.00 O ATOM 555 CB ASP A 34 -14.212 -2.442 -5.553 1.00 0.00 C ATOM 556 CG ASP A 34 -15.664 -2.838 -5.368 1.00 0.00 C ATOM 557 OD1 ASP A 34 -16.467 -1.974 -4.957 1.00 0.00 O ATOM 558 OD2 ASP A 34 -15.997 -4.012 -5.635 1.00 0.00 O ATOM 0 H ASP A 34 -12.106 -1.175 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.129 -1.786 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.162 -1.506 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.706 -3.198 -6.154 1.00 0.00 H new ATOM 563 N ASN A 35 -12.182 -4.332 -4.301 1.00 0.00 N ATOM 564 CA ASN A 35 -11.772 -5.657 -3.862 1.00 0.00 C ATOM 565 C ASN A 35 -10.368 -5.633 -3.272 1.00 0.00 C ATOM 566 O ASN A 35 -9.558 -6.521 -3.537 1.00 0.00 O ATOM 567 CB ASN A 35 -11.833 -6.646 -5.028 1.00 0.00 C ATOM 568 CG ASN A 35 -13.250 -7.092 -5.334 1.00 0.00 C ATOM 569 OD1 ASN A 35 -13.962 -7.581 -4.457 1.00 0.00 O ATOM 570 ND2 ASN A 35 -13.666 -6.926 -6.584 1.00 0.00 N ATOM 0 H ASN A 35 -11.692 -3.989 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.463 -5.980 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.401 -6.184 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.223 -7.518 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.610 -7.208 -6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.042 -6.516 -7.279 1.00 0.00 H new ATOM 577 N LEU A 36 -10.084 -4.612 -2.473 1.00 0.00 N ATOM 578 CA LEU A 36 -8.775 -4.478 -1.850 1.00 0.00 C ATOM 579 C LEU A 36 -8.859 -4.676 -0.340 1.00 0.00 C ATOM 580 O LEU A 36 -9.533 -3.923 0.363 1.00 0.00 O ATOM 581 CB LEU A 36 -8.174 -3.106 -2.169 1.00 0.00 C ATOM 582 CG LEU A 36 -6.740 -2.885 -1.678 1.00 0.00 C ATOM 583 CD1 LEU A 36 -6.721 -2.626 -0.179 1.00 0.00 C ATOM 584 CD2 LEU A 36 -5.862 -4.079 -2.026 1.00 0.00 C ATOM 0 H LEU A 36 -10.741 -3.867 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.128 -5.255 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.196 -2.961 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.812 -2.338 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.338 -2.007 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.694 -2.472 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.311 -1.737 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.145 -3.484 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.848 -3.901 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.262 -4.975 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.847 -4.216 -3.107 1.00 0.00 H new ATOM 596 N LYS A 37 -8.157 -5.692 0.147 1.00 0.00 N ATOM 597 CA LYS A 37 -8.124 -6.002 1.570 1.00 0.00 C ATOM 598 C LYS A 37 -6.693 -5.960 2.071 1.00 0.00 C ATOM 599 O LYS A 37 -5.850 -6.750 1.653 1.00 0.00 O ATOM 600 CB LYS A 37 -8.733 -7.380 1.832 1.00 0.00 C ATOM 601 CG LYS A 37 -9.565 -7.446 3.103 1.00 0.00 C ATOM 602 CD LYS A 37 -8.700 -7.296 4.345 1.00 0.00 C ATOM 603 CE LYS A 37 -8.089 -8.623 4.762 1.00 0.00 C ATOM 604 NZ LYS A 37 -9.130 -9.643 5.069 1.00 0.00 N ATOM 0 H LYS A 37 -7.598 -6.321 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.713 -5.257 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.358 -7.659 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.932 -8.116 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.319 -6.659 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.097 -8.397 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.907 -6.574 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.301 -6.898 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.444 -8.992 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.459 -8.473 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.752 -10.330 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.965 -9.175 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.401 -10.137 4.195 1.00 0.00 H new ATOM 618 N LEU A 38 -6.433 -5.027 2.967 1.00 0.00 N ATOM 619 CA LEU A 38 -5.111 -4.857 3.540 1.00 0.00 C ATOM 620 C LEU A 38 -5.120 -5.398 4.970 1.00 0.00 C ATOM 621 O LEU A 38 -5.973 -5.031 5.767 1.00 0.00 O ATOM 622 CB LEU A 38 -4.741 -3.361 3.486 1.00 0.00 C ATOM 623 CG LEU A 38 -3.243 -3.017 3.334 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.512 -4.049 2.483 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.070 -1.632 2.716 1.00 0.00 C ATOM 0 H LEU A 38 -7.129 -4.368 3.317 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.359 -5.411 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.279 -2.908 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.107 -2.888 4.397 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.807 -3.026 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.461 -3.773 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.593 -5.030 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.959 -4.083 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.008 -1.408 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.538 -1.612 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.540 -0.886 3.357 1.00 0.00 H new ATOM 637 N THR A 39 -4.206 -6.310 5.283 1.00 0.00 N ATOM 638 CA THR A 39 -4.173 -6.910 6.617 1.00 0.00 C ATOM 639 C THR A 39 -2.920 -6.511 7.386 1.00 0.00 C ATOM 640 O THR A 39 -1.881 -6.224 6.795 1.00 0.00 O ATOM 641 CB THR A 39 -4.261 -8.434 6.518 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.125 -8.819 5.464 1.00 0.00 O ATOM 643 CG2 THR A 39 -4.767 -9.087 7.786 1.00 0.00 C ATOM 0 H THR A 39 -3.487 -6.648 4.644 1.00 0.00 H new ATOM 0 HA THR A 39 -5.036 -6.533 7.165 1.00 0.00 H new ATOM 0 HB THR A 39 -3.241 -8.771 6.336 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.596 -9.017 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.805 -10.168 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.095 -8.850 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.766 -8.715 8.013 1.00 0.00 H new ATOM 651 N ILE A 40 -3.036 -6.498 8.713 1.00 0.00 N ATOM 652 CA ILE A 40 -1.920 -6.134 9.582 1.00 0.00 C ATOM 653 C ILE A 40 -1.827 -7.076 10.782 1.00 0.00 C ATOM 654 O ILE A 40 -2.843 -7.484 11.343 1.00 0.00 O ATOM 655 CB ILE A 40 -2.047 -4.685 10.112 1.00 0.00 C ATOM 656 CG1 ILE A 40 -2.969 -3.844 9.221 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.671 -4.041 10.220 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.386 -3.524 7.862 1.00 0.00 C ATOM 0 H ILE A 40 -3.894 -6.736 9.210 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.020 -6.215 8.972 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.495 -4.726 11.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.911 -4.376 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.201 -2.911 9.734 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.774 -3.022 10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.052 -4.618 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.201 -4.021 9.237 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.098 -2.927 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.460 -2.963 7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.180 -4.451 7.327 1.00 0.00 H new ATOM 670 N THR A 41 -0.601 -7.403 11.178 1.00 0.00 N ATOM 671 CA THR A 41 -0.373 -8.280 12.326 1.00 0.00 C ATOM 672 C THR A 41 0.940 -7.917 13.015 1.00 0.00 C ATOM 673 O THR A 41 1.853 -7.380 12.387 1.00 0.00 O ATOM 674 CB THR A 41 -0.377 -9.758 11.905 1.00 0.00 C ATOM 675 OG1 THR A 41 0.592 -10.498 12.630 1.00 0.00 O ATOM 676 CG2 THR A 41 -0.105 -9.970 10.433 1.00 0.00 C ATOM 0 H THR A 41 0.251 -7.075 10.723 1.00 0.00 H new ATOM 0 HA THR A 41 -1.190 -8.135 13.033 1.00 0.00 H new ATOM 0 HB THR A 41 -1.386 -10.107 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.569 -11.435 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.123 -11.037 10.210 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.870 -9.463 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.875 -9.564 10.182 1.00 0.00 H new ATOM 684 N GLN A 42 1.023 -8.194 14.313 1.00 0.00 N ATOM 685 CA GLN A 42 2.219 -7.874 15.087 1.00 0.00 C ATOM 686 C GLN A 42 3.206 -9.038 15.120 1.00 0.00 C ATOM 687 O GLN A 42 2.842 -10.170 15.438 1.00 0.00 O ATOM 688 CB GLN A 42 1.834 -7.484 16.517 1.00 0.00 C ATOM 689 CG GLN A 42 2.397 -6.141 16.953 1.00 0.00 C ATOM 690 CD GLN A 42 1.886 -5.708 18.313 1.00 0.00 C ATOM 691 OE1 GLN A 42 1.369 -4.602 18.471 1.00 0.00 O ATOM 692 NE2 GLN A 42 2.029 -6.580 19.304 1.00 0.00 N ATOM 0 H GLN A 42 0.278 -8.638 14.850 1.00 0.00 H new ATOM 0 HA GLN A 42 2.709 -7.034 14.595 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.747 -7.457 16.597 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.185 -8.256 17.202 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.485 -6.199 16.979 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.136 -5.384 16.213 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.464 -7.486 19.128 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.704 -6.344 20.242 1.00 0.00 H new ATOM 701 N GLU A 43 4.463 -8.739 14.805 1.00 0.00 N ATOM 702 CA GLU A 43 5.521 -9.742 14.811 1.00 0.00 C ATOM 703 C GLU A 43 6.878 -9.070 14.979 1.00 0.00 C ATOM 704 O GLU A 43 7.534 -8.721 13.998 1.00 0.00 O ATOM 705 CB GLU A 43 5.501 -10.558 13.522 1.00 0.00 C ATOM 706 CG GLU A 43 4.319 -11.508 13.420 1.00 0.00 C ATOM 707 CD GLU A 43 4.211 -12.435 14.614 1.00 0.00 C ATOM 708 OE1 GLU A 43 5.255 -12.966 15.050 1.00 0.00 O ATOM 709 OE2 GLU A 43 3.084 -12.631 15.114 1.00 0.00 O ATOM 0 H GLU A 43 4.774 -7.804 14.541 1.00 0.00 H new ATOM 0 HA GLU A 43 5.349 -10.417 15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.483 -9.877 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.425 -11.132 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.400 -10.930 13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.413 -12.102 12.511 1.00 0.00 H new ATOM 716 N GLY A 44 7.286 -8.875 16.227 1.00 0.00 N ATOM 717 CA GLY A 44 8.556 -8.226 16.496 1.00 0.00 C ATOM 718 C GLY A 44 8.634 -6.858 15.844 1.00 0.00 C ATOM 719 O GLY A 44 7.630 -6.149 15.769 1.00 0.00 O ATOM 0 H GLY A 44 6.762 -9.154 17.056 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.693 -8.125 17.573 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.370 -8.851 16.129 1.00 0.00 H new ATOM 723 N ASN A 45 9.812 -6.486 15.352 1.00 0.00 N ATOM 724 CA ASN A 45 9.973 -5.195 14.686 1.00 0.00 C ATOM 725 C ASN A 45 9.423 -5.252 13.265 1.00 0.00 C ATOM 726 O ASN A 45 9.480 -4.266 12.530 1.00 0.00 O ATOM 727 CB ASN A 45 11.443 -4.759 14.644 1.00 0.00 C ATOM 728 CG ASN A 45 12.413 -5.924 14.564 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.669 -6.459 13.485 1.00 0.00 O ATOM 730 ND2 ASN A 45 12.956 -6.322 15.708 1.00 0.00 N ATOM 0 H ASN A 45 10.660 -7.051 15.400 1.00 0.00 H new ATOM 0 HA ASN A 45 9.412 -4.462 15.266 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.597 -4.107 13.784 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.666 -4.170 15.534 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.615 -7.101 15.716 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.715 -5.849 16.579 1.00 0.00 H new ATOM 737 N LYS A 46 8.898 -6.412 12.874 1.00 0.00 N ATOM 738 CA LYS A 46 8.353 -6.581 11.537 1.00 0.00 C ATOM 739 C LYS A 46 6.831 -6.706 11.563 1.00 0.00 C ATOM 740 O LYS A 46 6.246 -7.239 12.509 1.00 0.00 O ATOM 741 CB LYS A 46 8.990 -7.803 10.851 1.00 0.00 C ATOM 742 CG LYS A 46 8.129 -9.060 10.862 1.00 0.00 C ATOM 743 CD LYS A 46 7.075 -9.035 9.767 1.00 0.00 C ATOM 744 CE LYS A 46 7.173 -10.260 8.877 1.00 0.00 C ATOM 745 NZ LYS A 46 6.708 -11.492 9.572 1.00 0.00 N ATOM 0 H LYS A 46 8.841 -7.242 13.464 1.00 0.00 H new ATOM 0 HA LYS A 46 8.597 -5.689 10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.218 -7.544 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.938 -8.024 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.764 -9.936 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.642 -9.158 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.083 -8.988 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.195 -8.135 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.577 -10.104 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.206 -10.393 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.310 -12.154 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.511 -11.941 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.978 -11.243 10.269 1.00 0.00 H new ATOM 759 N PHE A 47 6.209 -6.215 10.502 1.00 0.00 N ATOM 760 CA PHE A 47 4.765 -6.263 10.354 1.00 0.00 C ATOM 761 C PHE A 47 4.388 -7.222 9.235 1.00 0.00 C ATOM 762 O PHE A 47 5.070 -7.291 8.215 1.00 0.00 O ATOM 763 CB PHE A 47 4.222 -4.873 10.024 1.00 0.00 C ATOM 764 CG PHE A 47 4.317 -3.896 11.158 1.00 0.00 C ATOM 765 CD1 PHE A 47 3.843 -4.224 12.417 1.00 0.00 C ATOM 766 CD2 PHE A 47 4.884 -2.647 10.964 1.00 0.00 C ATOM 767 CE1 PHE A 47 3.935 -3.323 13.462 1.00 0.00 C ATOM 768 CE2 PHE A 47 4.977 -1.743 12.004 1.00 0.00 C ATOM 769 CZ PHE A 47 4.502 -2.082 13.255 1.00 0.00 C ATOM 0 H PHE A 47 6.692 -5.772 9.720 1.00 0.00 H new ATOM 0 HA PHE A 47 4.333 -6.608 11.293 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.767 -4.475 9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.178 -4.964 9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.397 -5.193 12.585 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.258 -2.377 9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.563 -3.591 14.440 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.421 -0.772 11.839 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.574 -1.377 14.070 1.00 0.00 H new ATOM 779 N THR A 48 3.299 -7.952 9.415 1.00 0.00 N ATOM 780 CA THR A 48 2.848 -8.886 8.395 1.00 0.00 C ATOM 781 C THR A 48 1.620 -8.331 7.687 1.00 0.00 C ATOM 782 O THR A 48 0.589 -8.079 8.312 1.00 0.00 O ATOM 783 CB THR A 48 2.543 -10.257 9.006 1.00 0.00 C ATOM 784 OG1 THR A 48 2.603 -10.202 10.421 1.00 0.00 O ATOM 785 CG2 THR A 48 3.497 -11.339 8.550 1.00 0.00 C ATOM 0 H THR A 48 2.715 -7.917 10.250 1.00 0.00 H new ATOM 0 HA THR A 48 3.648 -9.014 7.665 1.00 0.00 H new ATOM 0 HB THR A 48 1.539 -10.509 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.404 -11.087 10.792 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.226 -12.285 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.439 -11.442 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.514 -11.071 8.835 1.00 0.00 H new ATOM 793 N VAL A 49 1.738 -8.132 6.380 1.00 0.00 N ATOM 794 CA VAL A 49 0.637 -7.599 5.591 1.00 0.00 C ATOM 795 C VAL A 49 0.128 -8.629 4.596 1.00 0.00 C ATOM 796 O VAL A 49 0.897 -9.188 3.813 1.00 0.00 O ATOM 797 CB VAL A 49 1.038 -6.318 4.833 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.895 -5.100 5.732 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.456 -6.429 4.295 1.00 0.00 C ATOM 0 H VAL A 49 2.584 -8.332 5.846 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.157 -7.351 6.295 1.00 0.00 H new ATOM 0 HB VAL A 49 0.365 -6.198 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.182 -4.205 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.141 -5.008 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.541 -5.213 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.716 -5.513 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.149 -6.578 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.521 -7.276 3.611 1.00 0.00 H new ATOM 809 N LYS A 50 -1.174 -8.878 4.636 1.00 0.00 N ATOM 810 CA LYS A 50 -1.793 -9.846 3.740 1.00 0.00 C ATOM 811 C LYS A 50 -2.836 -9.176 2.852 1.00 0.00 C ATOM 812 O LYS A 50 -3.878 -8.729 3.330 1.00 0.00 O ATOM 813 CB LYS A 50 -2.440 -10.975 4.546 1.00 0.00 C ATOM 814 CG LYS A 50 -2.188 -12.357 3.965 1.00 0.00 C ATOM 815 CD LYS A 50 -3.047 -13.411 4.643 1.00 0.00 C ATOM 816 CE LYS A 50 -2.329 -14.035 5.829 1.00 0.00 C ATOM 817 NZ LYS A 50 -1.972 -13.021 6.859 1.00 0.00 N ATOM 0 H LYS A 50 -1.822 -8.423 5.279 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.015 -10.264 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.061 -10.945 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.515 -10.803 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.399 -12.347 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.135 -12.615 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.981 -12.960 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.307 -14.188 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.964 -14.799 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.424 -14.535 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.803 -13.495 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.111 -12.517 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.752 -12.341 6.962 1.00 0.00 H new ATOM 831 N GLU A 51 -2.550 -9.115 1.557 1.00 0.00 N ATOM 832 CA GLU A 51 -3.467 -8.505 0.605 1.00 0.00 C ATOM 833 C GLU A 51 -4.422 -9.552 0.039 1.00 0.00 C ATOM 834 O GLU A 51 -3.997 -10.507 -0.612 1.00 0.00 O ATOM 835 CB GLU A 51 -2.684 -7.824 -0.522 1.00 0.00 C ATOM 836 CG GLU A 51 -3.553 -7.346 -1.676 1.00 0.00 C ATOM 837 CD GLU A 51 -2.801 -6.450 -2.641 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.728 -5.936 -2.261 1.00 0.00 O ATOM 839 OE2 GLU A 51 -3.286 -6.262 -3.776 1.00 0.00 O ATOM 0 H GLU A 51 -1.692 -9.480 1.144 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.057 -7.749 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.142 -6.972 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.939 -8.521 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.941 -8.210 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.412 -6.806 -1.279 1.00 0.00 H new ATOM 846 N SER A 52 -5.713 -9.371 0.298 1.00 0.00 N ATOM 847 CA SER A 52 -6.724 -10.307 -0.179 1.00 0.00 C ATOM 848 C SER A 52 -7.443 -9.764 -1.409 1.00 0.00 C ATOM 849 O SER A 52 -7.748 -8.574 -1.489 1.00 0.00 O ATOM 850 CB SER A 52 -7.738 -10.600 0.928 1.00 0.00 C ATOM 851 OG SER A 52 -7.099 -10.722 2.187 1.00 0.00 O ATOM 0 H SER A 52 -6.083 -8.586 0.834 1.00 0.00 H new ATOM 0 HA SER A 52 -6.219 -11.231 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.478 -9.801 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.275 -11.520 0.699 1.00 0.00 H new ATOM 0 HG SER A 52 -7.769 -10.907 2.877 1.00 0.00 H new ATOM 857 N SER A 53 -7.710 -10.648 -2.364 1.00 0.00 N ATOM 858 CA SER A 53 -8.395 -10.267 -3.592 1.00 0.00 C ATOM 859 C SER A 53 -9.225 -11.428 -4.130 1.00 0.00 C ATOM 860 O SER A 53 -9.006 -12.582 -3.761 1.00 0.00 O ATOM 861 CB SER A 53 -7.382 -9.816 -4.646 1.00 0.00 C ATOM 862 OG SER A 53 -6.483 -10.862 -4.970 1.00 0.00 O ATOM 0 H SER A 53 -7.461 -11.636 -2.310 1.00 0.00 H new ATOM 0 HA SER A 53 -9.065 -9.438 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.907 -9.492 -5.545 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.825 -8.956 -4.275 1.00 0.00 H new ATOM 0 HG SER A 53 -6.657 -11.634 -4.392 1.00 0.00 H new ATOM 868 N ALA A 54 -10.178 -11.116 -5.002 1.00 0.00 N ATOM 869 CA ALA A 54 -11.039 -12.138 -5.587 1.00 0.00 C ATOM 870 C ALA A 54 -10.471 -12.664 -6.904 1.00 0.00 C ATOM 871 O ALA A 54 -11.180 -13.305 -7.680 1.00 0.00 O ATOM 872 CB ALA A 54 -12.440 -11.583 -5.800 1.00 0.00 C ATOM 0 H ALA A 54 -10.374 -10.166 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.087 -12.974 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.074 -12.354 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.857 -11.270 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.394 -10.727 -6.473 1.00 0.00 H new ATOM 878 N PHE A 55 -9.193 -12.391 -7.154 1.00 0.00 N ATOM 879 CA PHE A 55 -8.544 -12.843 -8.381 1.00 0.00 C ATOM 880 C PHE A 55 -7.371 -13.774 -8.079 1.00 0.00 C ATOM 881 O PHE A 55 -7.017 -14.623 -8.896 1.00 0.00 O ATOM 882 CB PHE A 55 -8.057 -11.643 -9.195 1.00 0.00 C ATOM 883 CG PHE A 55 -8.138 -11.853 -10.681 1.00 0.00 C ATOM 884 CD1 PHE A 55 -9.325 -11.636 -11.361 1.00 0.00 C ATOM 885 CD2 PHE A 55 -7.026 -12.269 -11.396 1.00 0.00 C ATOM 886 CE1 PHE A 55 -9.402 -11.829 -12.727 1.00 0.00 C ATOM 887 CE2 PHE A 55 -7.097 -12.464 -12.762 1.00 0.00 C ATOM 888 CZ PHE A 55 -8.286 -12.243 -13.429 1.00 0.00 C ATOM 0 H PHE A 55 -8.589 -11.861 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.280 -13.399 -8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.649 -10.768 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.024 -11.425 -8.923 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.200 -11.312 -10.817 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.093 -12.443 -10.880 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.333 -11.656 -13.246 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.223 -12.789 -13.308 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.343 -12.393 -14.497 1.00 0.00 H new ATOM 898 N ARG A 56 -6.771 -13.611 -6.903 1.00 0.00 N ATOM 899 CA ARG A 56 -5.639 -14.440 -6.503 1.00 0.00 C ATOM 900 C ARG A 56 -5.190 -14.102 -5.084 1.00 0.00 C ATOM 901 O ARG A 56 -5.878 -13.384 -4.359 1.00 0.00 O ATOM 902 CB ARG A 56 -4.474 -14.254 -7.478 1.00 0.00 C ATOM 903 CG ARG A 56 -3.725 -15.541 -7.783 1.00 0.00 C ATOM 904 CD ARG A 56 -4.197 -16.165 -9.086 1.00 0.00 C ATOM 905 NE ARG A 56 -5.147 -17.252 -8.860 1.00 0.00 N ATOM 906 CZ ARG A 56 -4.823 -18.414 -8.298 1.00 0.00 C ATOM 907 NH1 ARG A 56 -3.577 -18.644 -7.903 1.00 0.00 N ATOM 908 NH2 ARG A 56 -5.748 -19.349 -8.130 1.00 0.00 N ATOM 0 H ARG A 56 -7.049 -12.914 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.959 -15.482 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.854 -13.835 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.776 -13.527 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.656 -15.336 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.868 -16.249 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.663 -15.400 -9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.337 -16.544 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.115 -17.112 -9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.862 -17.928 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.335 -19.537 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.707 -19.177 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.500 -20.240 -7.699 1.00 0.00 H new ATOM 922 N ASN A 57 -4.031 -14.626 -4.695 1.00 0.00 N ATOM 923 CA ASN A 57 -3.490 -14.381 -3.363 1.00 0.00 C ATOM 924 C ASN A 57 -2.413 -13.301 -3.402 1.00 0.00 C ATOM 925 O ASN A 57 -1.672 -13.185 -4.378 1.00 0.00 O ATOM 926 CB ASN A 57 -2.912 -15.672 -2.779 1.00 0.00 C ATOM 927 CG ASN A 57 -3.938 -16.457 -1.985 1.00 0.00 C ATOM 928 OD1 ASN A 57 -4.704 -17.242 -2.543 1.00 0.00 O ATOM 929 ND2 ASN A 57 -3.957 -16.247 -0.674 1.00 0.00 N ATOM 0 H ASN A 57 -3.449 -15.223 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.304 -14.034 -2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.529 -16.294 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.066 -15.430 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.626 -16.746 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.303 -15.587 -0.254 1.00 0.00 H new ATOM 936 N ILE A 58 -2.333 -12.513 -2.335 1.00 0.00 N ATOM 937 CA ILE A 58 -1.348 -11.442 -2.246 1.00 0.00 C ATOM 938 C ILE A 58 -0.952 -11.180 -0.795 1.00 0.00 C ATOM 939 O ILE A 58 -1.776 -11.291 0.113 1.00 0.00 O ATOM 940 CB ILE A 58 -1.881 -10.135 -2.867 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.516 -10.410 -4.233 1.00 0.00 C ATOM 942 CG2 ILE A 58 -0.759 -9.114 -2.995 1.00 0.00 C ATOM 943 CD1 ILE A 58 -3.056 -9.168 -4.910 1.00 0.00 C ATOM 0 H ILE A 58 -2.939 -12.596 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.472 -11.769 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.648 -9.726 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.774 -10.875 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.326 -11.128 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.150 -8.197 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.350 -8.897 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.028 -9.516 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.491 -9.438 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.821 -8.714 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.245 -8.456 -5.065 1.00 0.00 H new ATOM 955 N GLU A 59 0.315 -10.835 -0.583 1.00 0.00 N ATOM 956 CA GLU A 59 0.820 -10.559 0.760 1.00 0.00 C ATOM 957 C GLU A 59 2.313 -10.244 0.729 1.00 0.00 C ATOM 958 O GLU A 59 2.951 -10.326 -0.320 1.00 0.00 O ATOM 959 CB GLU A 59 0.561 -11.752 1.684 1.00 0.00 C ATOM 960 CG GLU A 59 0.951 -13.089 1.075 1.00 0.00 C ATOM 961 CD GLU A 59 0.988 -14.207 2.098 1.00 0.00 C ATOM 962 OE1 GLU A 59 1.888 -14.190 2.964 1.00 0.00 O ATOM 963 OE2 GLU A 59 0.117 -15.100 2.034 1.00 0.00 O ATOM 0 H GLU A 59 1.011 -10.740 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 59 0.290 -9.688 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.115 -11.609 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.497 -11.776 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.243 -13.346 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.931 -12.998 0.606 1.00 0.00 H new ATOM 970 N VAL A 60 2.865 -9.884 1.886 1.00 0.00 N ATOM 971 CA VAL A 60 4.284 -9.556 1.987 1.00 0.00 C ATOM 972 C VAL A 60 4.674 -9.203 3.423 1.00 0.00 C ATOM 973 O VAL A 60 3.819 -8.889 4.250 1.00 0.00 O ATOM 974 CB VAL A 60 4.651 -8.383 1.057 1.00 0.00 C ATOM 975 CG1 VAL A 60 3.941 -7.108 1.491 1.00 0.00 C ATOM 976 CG2 VAL A 60 6.159 -8.182 1.017 1.00 0.00 C ATOM 0 H VAL A 60 2.352 -9.812 2.765 1.00 0.00 H new ATOM 0 HA VAL A 60 4.838 -10.443 1.679 1.00 0.00 H new ATOM 0 HB VAL A 60 4.316 -8.627 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.215 -6.293 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.863 -7.262 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.237 -6.855 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.398 -7.349 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.524 -7.964 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.637 -9.089 0.646 1.00 0.00 H new ATOM 986 N VAL A 61 5.973 -9.260 3.710 1.00 0.00 N ATOM 987 CA VAL A 61 6.481 -8.948 5.042 1.00 0.00 C ATOM 988 C VAL A 61 6.872 -7.473 5.152 1.00 0.00 C ATOM 989 O VAL A 61 7.339 -6.870 4.186 1.00 0.00 O ATOM 990 CB VAL A 61 7.703 -9.835 5.391 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.617 -9.155 6.405 1.00 0.00 C ATOM 992 CG2 VAL A 61 7.247 -11.192 5.907 1.00 0.00 C ATOM 0 H VAL A 61 6.693 -9.520 3.036 1.00 0.00 H new ATOM 0 HA VAL A 61 5.679 -9.153 5.751 1.00 0.00 H new ATOM 0 HB VAL A 61 8.277 -9.984 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.463 -9.806 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.981 -8.214 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.061 -8.959 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.118 -11.801 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.641 -11.056 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.654 -11.692 5.141 1.00 0.00 H new ATOM 1002 N PHE A 62 6.689 -6.906 6.342 1.00 0.00 N ATOM 1003 CA PHE A 62 7.032 -5.511 6.592 1.00 0.00 C ATOM 1004 C PHE A 62 7.986 -5.419 7.766 1.00 0.00 C ATOM 1005 O PHE A 62 7.915 -6.213 8.698 1.00 0.00 O ATOM 1006 CB PHE A 62 5.771 -4.690 6.878 1.00 0.00 C ATOM 1007 CG PHE A 62 5.272 -3.886 5.710 1.00 0.00 C ATOM 1008 CD1 PHE A 62 6.155 -3.237 4.862 1.00 0.00 C ATOM 1009 CD2 PHE A 62 3.913 -3.768 5.472 1.00 0.00 C ATOM 1010 CE1 PHE A 62 5.690 -2.485 3.800 1.00 0.00 C ATOM 1011 CE2 PHE A 62 3.442 -3.020 4.411 1.00 0.00 C ATOM 1012 CZ PHE A 62 4.331 -2.377 3.575 1.00 0.00 C ATOM 0 H PHE A 62 6.304 -7.394 7.150 1.00 0.00 H new ATOM 0 HA PHE A 62 7.515 -5.106 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.979 -5.365 7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.974 -4.014 7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.218 -3.320 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.212 -4.267 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.388 -1.982 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.379 -2.939 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.965 -1.790 2.746 1.00 0.00 H new ATOM 1022 N GLU A 63 8.893 -4.464 7.709 1.00 0.00 N ATOM 1023 CA GLU A 63 9.869 -4.299 8.768 1.00 0.00 C ATOM 1024 C GLU A 63 10.298 -2.846 8.898 1.00 0.00 C ATOM 1025 O GLU A 63 10.627 -2.190 7.910 1.00 0.00 O ATOM 1026 CB GLU A 63 11.061 -5.203 8.481 1.00 0.00 C ATOM 1027 CG GLU A 63 11.776 -5.698 9.729 1.00 0.00 C ATOM 1028 CD GLU A 63 12.821 -4.725 10.238 1.00 0.00 C ATOM 1029 OE1 GLU A 63 12.441 -3.619 10.675 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.021 -5.071 10.203 1.00 0.00 O ATOM 0 H GLU A 63 8.975 -3.793 6.945 1.00 0.00 H new ATOM 0 HA GLU A 63 9.422 -4.583 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.721 -6.063 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.773 -4.662 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.042 -5.878 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.252 -6.654 9.513 1.00 0.00 H new ATOM 1037 N LEU A 64 10.288 -2.349 10.129 1.00 0.00 N ATOM 1038 CA LEU A 64 10.672 -0.974 10.397 1.00 0.00 C ATOM 1039 C LEU A 64 12.177 -0.793 10.239 1.00 0.00 C ATOM 1040 O LEU A 64 12.958 -1.226 11.087 1.00 0.00 O ATOM 1041 CB LEU A 64 10.237 -0.580 11.806 1.00 0.00 C ATOM 1042 CG LEU A 64 8.839 -1.049 12.227 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.422 -0.364 13.519 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.811 -0.786 11.132 1.00 0.00 C ATOM 0 H LEU A 64 10.017 -2.881 10.956 1.00 0.00 H new ATOM 0 HA LEU A 64 10.174 -0.326 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.963 -0.979 12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.275 0.506 11.888 1.00 0.00 H new ATOM 0 HG LEU A 64 8.882 -2.125 12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.428 -0.705 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.133 -0.611 14.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.406 0.716 13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.831 -1.130 11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.768 0.283 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.098 -1.322 10.227 1.00 0.00 H new ATOM 1056 N GLY A 65 12.578 -0.158 9.143 1.00 0.00 N ATOM 1057 CA GLY A 65 13.989 0.062 8.885 1.00 0.00 C ATOM 1058 C GLY A 65 14.523 -0.846 7.797 1.00 0.00 C ATOM 1059 O GLY A 65 15.734 -1.014 7.655 1.00 0.00 O ATOM 0 H GLY A 65 11.950 0.209 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.146 1.102 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.554 -0.103 9.803 1.00 0.00 H new ATOM 1063 N VAL A 66 13.614 -1.426 7.023 1.00 0.00 N ATOM 1064 CA VAL A 66 13.988 -2.314 5.935 1.00 0.00 C ATOM 1065 C VAL A 66 13.290 -1.902 4.654 1.00 0.00 C ATOM 1066 O VAL A 66 12.273 -1.206 4.680 1.00 0.00 O ATOM 1067 CB VAL A 66 13.646 -3.778 6.257 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.209 -4.707 5.193 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.174 -4.148 7.634 1.00 0.00 C ATOM 0 H VAL A 66 12.608 -1.295 7.131 1.00 0.00 H new ATOM 0 HA VAL A 66 15.067 -2.234 5.805 1.00 0.00 H new ATOM 0 HB VAL A 66 12.562 -3.891 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.956 -5.738 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.782 -4.451 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.293 -4.599 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.926 -5.187 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.256 -4.021 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.718 -3.502 8.384 1.00 0.00 H new ATOM 1079 N THR A 67 13.852 -2.318 3.533 1.00 0.00 N ATOM 1080 CA THR A 67 13.299 -1.973 2.239 1.00 0.00 C ATOM 1081 C THR A 67 12.182 -2.932 1.830 1.00 0.00 C ATOM 1082 O THR A 67 12.229 -4.127 2.123 1.00 0.00 O ATOM 1083 CB THR A 67 14.417 -1.960 1.193 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.121 -0.732 1.234 1.00 0.00 O ATOM 1085 CG2 THR A 67 13.935 -2.160 -0.232 1.00 0.00 C ATOM 0 H THR A 67 14.692 -2.896 3.495 1.00 0.00 H new ATOM 0 HA THR A 67 12.857 -0.979 2.306 1.00 0.00 H new ATOM 0 HB THR A 67 15.056 -2.803 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.833 -0.740 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.787 -2.138 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.431 -3.123 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.240 -1.363 -0.496 1.00 0.00 H new ATOM 1093 N PHE A 68 11.187 -2.390 1.134 1.00 0.00 N ATOM 1094 CA PHE A 68 10.059 -3.174 0.657 1.00 0.00 C ATOM 1095 C PHE A 68 10.441 -3.874 -0.637 1.00 0.00 C ATOM 1096 O PHE A 68 11.294 -3.389 -1.382 1.00 0.00 O ATOM 1097 CB PHE A 68 8.844 -2.269 0.428 1.00 0.00 C ATOM 1098 CG PHE A 68 7.501 -2.900 0.712 1.00 0.00 C ATOM 1099 CD1 PHE A 68 7.388 -4.202 1.181 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.339 -2.173 0.500 1.00 0.00 C ATOM 1101 CE1 PHE A 68 6.150 -4.757 1.432 1.00 0.00 C ATOM 1102 CE2 PHE A 68 5.099 -2.725 0.747 1.00 0.00 C ATOM 1103 CZ PHE A 68 5.003 -4.019 1.214 1.00 0.00 C ATOM 0 H PHE A 68 11.142 -1.401 0.887 1.00 0.00 H new ATOM 0 HA PHE A 68 9.798 -3.920 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.949 -1.383 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.855 -1.930 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.280 -4.787 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.406 -1.158 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.078 -5.770 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.205 -2.145 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.034 -4.454 1.409 1.00 0.00 H new ATOM 1113 N ASN A 69 9.823 -5.014 -0.896 1.00 0.00 N ATOM 1114 CA ASN A 69 10.125 -5.782 -2.099 1.00 0.00 C ATOM 1115 C ASN A 69 8.886 -6.007 -2.957 1.00 0.00 C ATOM 1116 O ASN A 69 7.924 -6.643 -2.527 1.00 0.00 O ATOM 1117 CB ASN A 69 10.744 -7.129 -1.723 1.00 0.00 C ATOM 1118 CG ASN A 69 9.805 -7.985 -0.896 1.00 0.00 C ATOM 1119 OD1 ASN A 69 9.090 -8.835 -1.428 1.00 0.00 O ATOM 1120 ND2 ASN A 69 9.802 -7.766 0.414 1.00 0.00 N ATOM 0 H ASN A 69 9.112 -5.429 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 69 10.837 -5.201 -2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.017 -7.667 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.664 -6.960 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.191 -8.312 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.411 -7.051 0.813 1.00 0.00 H new ATOM 1127 N TYR A 70 8.929 -5.494 -4.182 1.00 0.00 N ATOM 1128 CA TYR A 70 7.825 -5.649 -5.118 1.00 0.00 C ATOM 1129 C TYR A 70 8.355 -5.834 -6.537 1.00 0.00 C ATOM 1130 O TYR A 70 7.735 -5.398 -7.507 1.00 0.00 O ATOM 1131 CB TYR A 70 6.888 -4.441 -5.053 1.00 0.00 C ATOM 1132 CG TYR A 70 5.448 -4.815 -4.783 1.00 0.00 C ATOM 1133 CD1 TYR A 70 4.713 -5.537 -5.715 1.00 0.00 C ATOM 1134 CD2 TYR A 70 4.826 -4.453 -3.594 1.00 0.00 C ATOM 1135 CE1 TYR A 70 3.399 -5.886 -5.471 1.00 0.00 C ATOM 1136 CE2 TYR A 70 3.513 -4.800 -3.342 1.00 0.00 C ATOM 1137 CZ TYR A 70 2.803 -5.516 -4.284 1.00 0.00 C ATOM 1138 OH TYR A 70 1.496 -5.865 -4.036 1.00 0.00 O ATOM 0 H TYR A 70 9.720 -4.966 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 70 7.259 -6.537 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.233 -3.764 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.944 -3.895 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.177 -5.830 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.378 -3.891 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.841 -6.446 -6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.044 -4.512 -2.412 1.00 0.00 H new ATOM 0 HH TYR A 70 1.090 -5.207 -3.434 1.00 0.00 H new ATOM 1148 N ASN A 71 9.510 -6.486 -6.644 1.00 0.00 N ATOM 1149 CA ASN A 71 10.136 -6.736 -7.937 1.00 0.00 C ATOM 1150 C ASN A 71 9.609 -8.024 -8.558 1.00 0.00 C ATOM 1151 O ASN A 71 10.195 -9.093 -8.386 1.00 0.00 O ATOM 1152 CB ASN A 71 11.656 -6.815 -7.783 1.00 0.00 C ATOM 1153 CG ASN A 71 12.078 -7.804 -6.715 1.00 0.00 C ATOM 1154 OD1 ASN A 71 11.450 -7.902 -5.660 1.00 0.00 O ATOM 1155 ND2 ASN A 71 13.149 -8.543 -6.982 1.00 0.00 N ATOM 0 H ASN A 71 10.032 -6.851 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 71 9.886 -5.907 -8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.101 -7.102 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.045 -5.828 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.481 -9.225 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.639 -8.429 -7.869 1.00 0.00 H new ATOM 1162 N LEU A 72 8.501 -7.914 -9.281 1.00 0.00 N ATOM 1163 CA LEU A 72 7.894 -9.069 -9.930 1.00 0.00 C ATOM 1164 C LEU A 72 7.104 -8.646 -11.163 1.00 0.00 C ATOM 1165 O LEU A 72 6.141 -7.885 -11.064 1.00 0.00 O ATOM 1166 CB LEU A 72 6.978 -9.808 -8.952 1.00 0.00 C ATOM 1167 CG LEU A 72 7.693 -10.496 -7.788 1.00 0.00 C ATOM 1168 CD1 LEU A 72 6.688 -10.974 -6.752 1.00 0.00 C ATOM 1169 CD2 LEU A 72 8.535 -11.658 -8.293 1.00 0.00 C ATOM 0 H LEU A 72 8.004 -7.036 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 72 8.694 -9.739 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.257 -9.098 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.412 -10.558 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 72 8.355 -9.772 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.215 -11.461 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.128 -10.121 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.000 -11.683 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.037 -12.136 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.892 -12.383 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.280 -11.288 -8.997 1.00 0.00 H new ATOM 1181 N ALA A 73 7.516 -9.144 -12.325 1.00 0.00 N ATOM 1182 CA ALA A 73 6.845 -8.819 -13.578 1.00 0.00 C ATOM 1183 C ALA A 73 5.347 -9.100 -13.492 1.00 0.00 C ATOM 1184 O ALA A 73 4.550 -8.498 -14.211 1.00 0.00 O ATOM 1185 CB ALA A 73 7.465 -9.601 -14.726 1.00 0.00 C ATOM 0 H ALA A 73 8.312 -9.774 -12.424 1.00 0.00 H new ATOM 0 HA ALA A 73 6.976 -7.753 -13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.955 -9.349 -15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.521 -9.346 -14.811 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.364 -10.669 -14.535 1.00 0.00 H new ATOM 1191 N ASP A 74 4.973 -10.018 -12.606 1.00 0.00 N ATOM 1192 CA ASP A 74 3.572 -10.378 -12.424 1.00 0.00 C ATOM 1193 C ASP A 74 2.763 -9.188 -11.918 1.00 0.00 C ATOM 1194 O ASP A 74 1.564 -9.087 -12.179 1.00 0.00 O ATOM 1195 CB ASP A 74 3.448 -11.548 -11.446 1.00 0.00 C ATOM 1196 CG ASP A 74 3.653 -12.890 -12.120 1.00 0.00 C ATOM 1197 OD1 ASP A 74 4.778 -13.150 -12.596 1.00 0.00 O ATOM 1198 OD2 ASP A 74 2.688 -13.681 -12.172 1.00 0.00 O ATOM 0 H ASP A 74 5.621 -10.526 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 74 3.172 -10.678 -13.392 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.181 -11.430 -10.648 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.463 -11.525 -10.980 1.00 0.00 H new ATOM 1203 N GLY A 75 3.422 -8.290 -11.192 1.00 0.00 N ATOM 1204 CA GLY A 75 2.743 -7.123 -10.663 1.00 0.00 C ATOM 1205 C GLY A 75 3.439 -5.829 -11.032 1.00 0.00 C ATOM 1206 O GLY A 75 2.939 -5.060 -11.853 1.00 0.00 O ATOM 0 H GLY A 75 4.414 -8.350 -10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.720 -7.101 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.683 -7.203 -9.578 1.00 0.00 H new ATOM 1210 N THR A 76 4.590 -5.583 -10.416 1.00 0.00 N ATOM 1211 CA THR A 76 5.348 -4.368 -10.678 1.00 0.00 C ATOM 1212 C THR A 76 6.803 -4.525 -10.239 1.00 0.00 C ATOM 1213 O THR A 76 7.289 -5.641 -10.053 1.00 0.00 O ATOM 1214 CB THR A 76 4.698 -3.195 -9.946 1.00 0.00 C ATOM 1215 OG1 THR A 76 5.181 -1.960 -10.442 1.00 0.00 O ATOM 1216 CG2 THR A 76 4.935 -3.219 -8.450 1.00 0.00 C ATOM 0 H THR A 76 5.017 -6.209 -9.733 1.00 0.00 H new ATOM 0 HA THR A 76 5.341 -4.176 -11.751 1.00 0.00 H new ATOM 0 HB THR A 76 3.628 -3.298 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.137 -1.961 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.447 -2.359 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.523 -4.137 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.006 -3.178 -8.251 1.00 0.00 H new ATOM 1224 N GLU A 77 7.491 -3.399 -10.072 1.00 0.00 N ATOM 1225 CA GLU A 77 8.886 -3.409 -9.650 1.00 0.00 C ATOM 1226 C GLU A 77 9.214 -2.160 -8.838 1.00 0.00 C ATOM 1227 O GLU A 77 9.928 -1.273 -9.305 1.00 0.00 O ATOM 1228 CB GLU A 77 9.809 -3.502 -10.866 1.00 0.00 C ATOM 1229 CG GLU A 77 11.282 -3.600 -10.505 1.00 0.00 C ATOM 1230 CD GLU A 77 11.760 -5.034 -10.388 1.00 0.00 C ATOM 1231 OE1 GLU A 77 11.083 -5.932 -10.932 1.00 0.00 O ATOM 1232 OE2 GLU A 77 12.811 -5.260 -9.752 1.00 0.00 O ATOM 0 H GLU A 77 7.104 -2.468 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 77 9.044 -4.283 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.530 -4.374 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.655 -2.626 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.873 -3.085 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.456 -3.085 -9.560 1.00 0.00 H new ATOM 1239 N LEU A 78 8.686 -2.096 -7.618 1.00 0.00 N ATOM 1240 CA LEU A 78 8.922 -0.955 -6.744 1.00 0.00 C ATOM 1241 C LEU A 78 9.712 -1.369 -5.504 1.00 0.00 C ATOM 1242 O LEU A 78 9.470 -2.427 -4.920 1.00 0.00 O ATOM 1243 CB LEU A 78 7.592 -0.316 -6.330 1.00 0.00 C ATOM 1244 CG LEU A 78 7.070 0.774 -7.272 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.778 0.339 -7.940 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.850 2.076 -6.526 1.00 0.00 C ATOM 0 H LEU A 78 8.093 -2.821 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 78 9.511 -0.223 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.839 -1.100 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.707 0.112 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 78 7.826 0.935 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.427 1.129 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.955 -0.568 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.023 0.143 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.480 2.833 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.120 1.921 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.792 2.411 -6.092 1.00 0.00 H new ATOM 1258 N ARG A 79 10.655 -0.519 -5.110 1.00 0.00 N ATOM 1259 CA ARG A 79 11.490 -0.772 -3.939 1.00 0.00 C ATOM 1260 C ARG A 79 11.385 0.395 -2.967 1.00 0.00 C ATOM 1261 O ARG A 79 11.663 1.535 -3.332 1.00 0.00 O ATOM 1262 CB ARG A 79 12.944 -0.962 -4.362 1.00 0.00 C ATOM 1263 CG ARG A 79 13.721 -1.913 -3.466 1.00 0.00 C ATOM 1264 CD ARG A 79 14.030 -3.224 -4.173 1.00 0.00 C ATOM 1265 NE ARG A 79 15.454 -3.365 -4.468 1.00 0.00 N ATOM 1266 CZ ARG A 79 16.365 -3.729 -3.568 1.00 0.00 C ATOM 1267 NH1 ARG A 79 16.004 -3.990 -2.317 1.00 0.00 N ATOM 1268 NH2 ARG A 79 17.639 -3.834 -3.919 1.00 0.00 N ATOM 0 H ARG A 79 10.862 0.358 -5.588 1.00 0.00 H new ATOM 0 HA ARG A 79 11.142 -1.681 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.970 -1.338 -5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.442 0.008 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.652 -1.440 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.146 -2.113 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.705 -4.057 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.461 -3.278 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 79 15.769 -3.173 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.025 -3.912 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.706 -4.269 -1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.922 -3.636 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.337 -4.113 -3.229 1.00 0.00 H new ATOM 1282 N GLY A 80 10.969 0.121 -1.736 1.00 0.00 N ATOM 1283 CA GLY A 80 10.823 1.195 -0.773 1.00 0.00 C ATOM 1284 C GLY A 80 11.256 0.833 0.628 1.00 0.00 C ATOM 1285 O GLY A 80 12.097 -0.037 0.816 1.00 0.00 O ATOM 0 H GLY A 80 10.734 -0.810 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.405 2.053 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.779 1.507 -0.749 1.00 0.00 H new ATOM 1289 N THR A 81 10.668 1.512 1.611 1.00 0.00 N ATOM 1290 CA THR A 81 10.974 1.275 3.017 1.00 0.00 C ATOM 1291 C THR A 81 9.804 1.699 3.899 1.00 0.00 C ATOM 1292 O THR A 81 9.221 2.764 3.700 1.00 0.00 O ATOM 1293 CB THR A 81 12.231 2.040 3.432 1.00 0.00 C ATOM 1294 OG1 THR A 81 12.288 3.300 2.788 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.510 1.303 3.114 1.00 0.00 C ATOM 0 H THR A 81 9.969 2.238 1.455 1.00 0.00 H new ATOM 0 HA THR A 81 11.150 0.207 3.147 1.00 0.00 H new ATOM 0 HB THR A 81 12.156 2.154 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.099 3.774 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.364 1.901 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.519 0.347 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.572 1.128 2.040 1.00 0.00 H new ATOM 1303 N TRP A 82 9.474 0.865 4.876 1.00 0.00 N ATOM 1304 CA TRP A 82 8.378 1.155 5.797 1.00 0.00 C ATOM 1305 C TRP A 82 8.925 1.424 7.195 1.00 0.00 C ATOM 1306 O TRP A 82 9.688 0.624 7.735 1.00 0.00 O ATOM 1307 CB TRP A 82 7.402 -0.024 5.845 1.00 0.00 C ATOM 1308 CG TRP A 82 6.117 0.228 5.119 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.973 0.681 3.840 1.00 0.00 C ATOM 1310 CD2 TRP A 82 4.792 0.037 5.630 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.640 0.784 3.523 1.00 0.00 N ATOM 1312 CE2 TRP A 82 3.895 0.394 4.605 1.00 0.00 C ATOM 1313 CE3 TRP A 82 4.276 -0.403 6.854 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 2.513 0.324 4.767 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 2.905 -0.471 7.013 1.00 0.00 C ATOM 1316 CH2 TRP A 82 2.037 -0.110 5.974 1.00 0.00 C ATOM 0 H TRP A 82 9.949 -0.020 5.053 1.00 0.00 H new ATOM 0 HA TRP A 82 7.851 2.041 5.442 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.885 -0.902 5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.181 -0.259 6.886 1.00 0.00 H new ATOM 0 HD1 TRP A 82 6.788 0.923 3.174 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.266 1.099 2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.937 -0.684 7.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.841 0.602 3.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 2.496 -0.808 7.954 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.970 -0.176 6.129 1.00 0.00 H new ATOM 1327 N SER A 83 8.534 2.549 7.775 1.00 0.00 N ATOM 1328 CA SER A 83 8.989 2.914 9.110 1.00 0.00 C ATOM 1329 C SER A 83 7.831 3.438 9.948 1.00 0.00 C ATOM 1330 O SER A 83 6.892 4.031 9.419 1.00 0.00 O ATOM 1331 CB SER A 83 10.094 3.968 9.025 1.00 0.00 C ATOM 1332 OG SER A 83 11.333 3.446 9.474 1.00 0.00 O ATOM 0 H SER A 83 7.903 3.225 7.344 1.00 0.00 H new ATOM 0 HA SER A 83 9.389 2.021 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.193 4.313 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.821 4.835 9.627 1.00 0.00 H new ATOM 0 HG SER A 83 12.023 4.139 9.408 1.00 0.00 H new ATOM 1338 N LEU A 84 7.898 3.218 11.255 1.00 0.00 N ATOM 1339 CA LEU A 84 6.845 3.675 12.151 1.00 0.00 C ATOM 1340 C LEU A 84 7.375 4.679 13.163 1.00 0.00 C ATOM 1341 O LEU A 84 8.368 4.430 13.847 1.00 0.00 O ATOM 1342 CB LEU A 84 6.200 2.492 12.871 1.00 0.00 C ATOM 1343 CG LEU A 84 4.672 2.531 12.919 1.00 0.00 C ATOM 1344 CD1 LEU A 84 4.088 1.159 12.615 1.00 0.00 C ATOM 1345 CD2 LEU A 84 4.194 3.031 14.272 1.00 0.00 C ATOM 0 H LEU A 84 8.666 2.729 11.715 1.00 0.00 H new ATOM 0 HA LEU A 84 6.089 4.173 11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.511 1.571 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.581 2.453 13.891 1.00 0.00 H new ATOM 0 HG LEU A 84 4.323 3.225 12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.000 1.210 12.655 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.401 0.843 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.445 0.440 13.353 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.104 3.052 14.288 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.555 2.364 15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.579 4.036 14.445 1.00 0.00 H new ATOM 1357 N GLU A 85 6.696 5.814 13.252 1.00 0.00 N ATOM 1358 CA GLU A 85 7.077 6.868 14.178 1.00 0.00 C ATOM 1359 C GLU A 85 5.921 7.194 15.116 1.00 0.00 C ATOM 1360 O GLU A 85 4.958 7.853 14.725 1.00 0.00 O ATOM 1361 CB GLU A 85 7.497 8.121 13.408 1.00 0.00 C ATOM 1362 CG GLU A 85 8.604 7.871 12.396 1.00 0.00 C ATOM 1363 CD GLU A 85 9.922 8.498 12.805 1.00 0.00 C ATOM 1364 OE1 GLU A 85 10.601 7.931 13.687 1.00 0.00 O ATOM 1365 OE2 GLU A 85 10.275 9.556 12.244 1.00 0.00 O ATOM 0 H GLU A 85 5.873 6.028 12.689 1.00 0.00 H new ATOM 0 HA GLU A 85 7.922 6.519 14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.628 8.528 12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.829 8.879 14.117 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.741 6.797 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.302 8.269 11.427 1.00 0.00 H new ATOM 1372 N GLY A 86 6.017 6.720 16.353 1.00 0.00 N ATOM 1373 CA GLY A 86 4.966 6.966 17.321 1.00 0.00 C ATOM 1374 C GLY A 86 3.749 6.097 17.082 1.00 0.00 C ATOM 1375 O GLY A 86 3.782 4.891 17.326 1.00 0.00 O ATOM 0 H GLY A 86 6.803 6.171 16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.349 6.782 18.325 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.674 8.015 17.278 1.00 0.00 H new ATOM 1379 N ASN A 87 2.672 6.709 16.603 1.00 0.00 N ATOM 1380 CA ASN A 87 1.440 5.979 16.333 1.00 0.00 C ATOM 1381 C ASN A 87 1.111 5.976 14.841 1.00 0.00 C ATOM 1382 O ASN A 87 -0.038 5.763 14.454 1.00 0.00 O ATOM 1383 CB ASN A 87 0.279 6.590 17.120 1.00 0.00 C ATOM 1384 CG ASN A 87 0.623 6.809 18.580 1.00 0.00 C ATOM 1385 OD1 ASN A 87 0.342 5.964 19.430 1.00 0.00 O ATOM 1386 ND2 ASN A 87 1.234 7.950 18.879 1.00 0.00 N ATOM 0 H ASN A 87 2.627 7.706 16.394 1.00 0.00 H new ATOM 0 HA ASN A 87 1.588 4.947 16.651 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.001 7.542 16.669 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.589 5.935 17.048 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.489 8.154 19.845 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.448 8.622 18.142 1.00 0.00 H new ATOM 1393 N LYS A 88 2.119 6.215 14.006 1.00 0.00 N ATOM 1394 CA LYS A 88 1.918 6.239 12.560 1.00 0.00 C ATOM 1395 C LYS A 88 3.078 5.566 11.830 1.00 0.00 C ATOM 1396 O LYS A 88 4.179 5.447 12.368 1.00 0.00 O ATOM 1397 CB LYS A 88 1.762 7.680 12.071 1.00 0.00 C ATOM 1398 CG LYS A 88 2.878 8.603 12.531 1.00 0.00 C ATOM 1399 CD LYS A 88 2.476 10.064 12.417 1.00 0.00 C ATOM 1400 CE LYS A 88 3.692 10.971 12.327 1.00 0.00 C ATOM 1401 NZ LYS A 88 4.124 11.184 10.918 1.00 0.00 N ATOM 0 H LYS A 88 3.078 6.394 14.304 1.00 0.00 H new ATOM 0 HA LYS A 88 1.007 5.683 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.725 7.683 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.808 8.073 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.137 8.375 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.771 8.423 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.851 10.203 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.874 10.345 13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.462 11.933 12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.513 10.535 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.956 11.808 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.368 10.269 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.350 11.624 10.380 1.00 0.00 H new ATOM 1415 N LEU A 89 2.822 5.133 10.598 1.00 0.00 N ATOM 1416 CA LEU A 89 3.844 4.477 9.788 1.00 0.00 C ATOM 1417 C LEU A 89 3.958 5.141 8.422 1.00 0.00 C ATOM 1418 O LEU A 89 2.963 5.599 7.860 1.00 0.00 O ATOM 1419 CB LEU A 89 3.526 2.990 9.621 1.00 0.00 C ATOM 1420 CG LEU A 89 2.112 2.681 9.129 1.00 0.00 C ATOM 1421 CD1 LEU A 89 2.113 2.442 7.628 1.00 0.00 C ATOM 1422 CD2 LEU A 89 1.543 1.475 9.862 1.00 0.00 C ATOM 0 H LEU A 89 1.916 5.225 10.139 1.00 0.00 H new ATOM 0 HA LEU A 89 4.799 4.576 10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.240 2.558 8.920 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.678 2.492 10.579 1.00 0.00 H new ATOM 0 HG LEU A 89 1.477 3.541 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.099 2.223 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.479 3.333 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.762 1.598 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.536 1.270 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.177 0.607 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.507 1.683 10.931 1.00 0.00 H new ATOM 1434 N ILE A 90 5.176 5.200 7.893 1.00 0.00 N ATOM 1435 CA ILE A 90 5.406 5.822 6.593 1.00 0.00 C ATOM 1436 C ILE A 90 6.177 4.911 5.644 1.00 0.00 C ATOM 1437 O ILE A 90 7.284 4.466 5.947 1.00 0.00 O ATOM 1438 CB ILE A 90 6.179 7.149 6.716 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.761 7.905 7.980 1.00 0.00 C ATOM 1440 CG2 ILE A 90 5.943 8.005 5.477 1.00 0.00 C ATOM 1441 CD1 ILE A 90 6.599 7.563 9.194 1.00 0.00 C ATOM 0 H ILE A 90 6.014 4.828 8.340 1.00 0.00 H new ATOM 0 HA ILE A 90 4.413 6.012 6.186 1.00 0.00 H new ATOM 0 HB ILE A 90 7.243 6.927 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.829 8.977 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.716 7.685 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.493 8.941 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.289 7.469 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.878 8.218 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.247 8.135 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.512 6.498 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.642 7.809 8.997 1.00 0.00 H new ATOM 1453 N GLY A 91 5.586 4.669 4.482 1.00 0.00 N ATOM 1454 CA GLY A 91 6.217 3.847 3.471 1.00 0.00 C ATOM 1455 C GLY A 91 6.516 4.651 2.220 1.00 0.00 C ATOM 1456 O GLY A 91 5.814 5.612 1.916 1.00 0.00 O ATOM 0 H GLY A 91 4.670 5.033 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.142 3.426 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.566 3.009 3.221 1.00 0.00 H new ATOM 1460 N LYS A 92 7.560 4.273 1.500 1.00 0.00 N ATOM 1461 CA LYS A 92 7.940 4.984 0.283 1.00 0.00 C ATOM 1462 C LYS A 92 8.663 4.049 -0.676 1.00 0.00 C ATOM 1463 O LYS A 92 9.655 3.433 -0.304 1.00 0.00 O ATOM 1464 CB LYS A 92 8.833 6.190 0.615 1.00 0.00 C ATOM 1465 CG LYS A 92 9.650 6.034 1.896 1.00 0.00 C ATOM 1466 CD LYS A 92 9.482 7.229 2.827 1.00 0.00 C ATOM 1467 CE LYS A 92 8.025 7.461 3.195 1.00 0.00 C ATOM 1468 NZ LYS A 92 7.685 8.910 3.229 1.00 0.00 N ATOM 0 H LYS A 92 8.159 3.481 1.733 1.00 0.00 H new ATOM 0 HA LYS A 92 7.031 5.346 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.515 6.363 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.207 7.078 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.344 5.125 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.704 5.917 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.064 7.067 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.882 8.122 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.383 6.954 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.822 7.017 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.654 9.026 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.022 9.325 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.141 9.392 2.428 1.00 0.00 H new ATOM 1482 N PHE A 93 8.161 3.944 -1.907 1.00 0.00 N ATOM 1483 CA PHE A 93 8.769 3.065 -2.905 1.00 0.00 C ATOM 1484 C PHE A 93 9.647 3.835 -3.881 1.00 0.00 C ATOM 1485 O PHE A 93 9.670 5.066 -3.891 1.00 0.00 O ATOM 1486 CB PHE A 93 7.710 2.323 -3.726 1.00 0.00 C ATOM 1487 CG PHE A 93 6.866 1.343 -2.963 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.758 1.761 -2.239 1.00 0.00 C ATOM 1489 CD2 PHE A 93 7.164 -0.011 -3.003 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.974 0.848 -1.567 1.00 0.00 C ATOM 1491 CE2 PHE A 93 6.374 -0.925 -2.338 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.279 -0.493 -1.619 1.00 0.00 C ATOM 0 H PHE A 93 7.340 4.453 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 93 9.374 2.355 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.052 3.060 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.210 1.791 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.508 2.811 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.023 -0.353 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.120 1.185 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.612 -1.978 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.660 -1.208 -1.096 1.00 0.00 H new ATOM 1502 N LYS A 94 10.354 3.078 -4.711 1.00 0.00 N ATOM 1503 CA LYS A 94 11.234 3.636 -5.723 1.00 0.00 C ATOM 1504 C LYS A 94 11.290 2.705 -6.928 1.00 0.00 C ATOM 1505 O LYS A 94 11.609 1.523 -6.794 1.00 0.00 O ATOM 1506 CB LYS A 94 12.638 3.854 -5.160 1.00 0.00 C ATOM 1507 CG LYS A 94 12.886 5.273 -4.676 1.00 0.00 C ATOM 1508 CD LYS A 94 13.339 6.180 -5.811 1.00 0.00 C ATOM 1509 CE LYS A 94 14.817 6.524 -5.708 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.220 6.856 -4.313 1.00 0.00 N ATOM 0 H LYS A 94 10.331 2.058 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 94 10.838 4.603 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.800 3.163 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.371 3.608 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.974 5.672 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.643 5.264 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.146 5.691 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.751 7.098 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.410 5.682 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.038 7.369 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.040 7.496 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.428 7.321 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.474 5.983 -3.808 1.00 0.00 H new ATOM 1524 N ARG A 95 10.967 3.235 -8.099 1.00 0.00 N ATOM 1525 CA ARG A 95 10.970 2.435 -9.320 1.00 0.00 C ATOM 1526 C ARG A 95 12.386 2.148 -9.791 1.00 0.00 C ATOM 1527 O ARG A 95 13.267 3.005 -9.722 1.00 0.00 O ATOM 1528 CB ARG A 95 10.188 3.137 -10.429 1.00 0.00 C ATOM 1529 CG ARG A 95 8.715 2.765 -10.463 1.00 0.00 C ATOM 1530 CD ARG A 95 8.233 2.522 -11.885 1.00 0.00 C ATOM 1531 NE ARG A 95 8.539 1.170 -12.344 1.00 0.00 N ATOM 1532 CZ ARG A 95 7.836 0.093 -12.000 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.788 0.206 -11.194 1.00 0.00 N ATOM 1534 NH2 ARG A 95 8.182 -1.100 -12.463 1.00 0.00 N ATOM 0 H ARG A 95 10.700 4.211 -8.232 1.00 0.00 H new ATOM 0 HA ARG A 95 10.486 1.486 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.279 4.215 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.638 2.892 -11.391 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.551 1.869 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.127 3.563 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.157 2.687 -11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.698 3.246 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 95 9.338 1.043 -12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.517 1.121 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.253 -0.623 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.987 -1.193 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.643 -1.925 -12.199 1.00 0.00 H new ATOM 1548 N THR A 96 12.588 0.930 -10.273 1.00 0.00 N ATOM 1549 CA THR A 96 13.889 0.502 -10.767 1.00 0.00 C ATOM 1550 C THR A 96 14.181 1.111 -12.140 1.00 0.00 C ATOM 1551 O THR A 96 15.336 1.204 -12.553 1.00 0.00 O ATOM 1552 CB THR A 96 13.930 -1.029 -10.823 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.628 -1.549 -9.706 1.00 0.00 O ATOM 1554 CG2 THR A 96 14.582 -1.595 -12.071 1.00 0.00 C ATOM 0 H THR A 96 11.862 0.216 -10.333 1.00 0.00 H new ATOM 0 HA THR A 96 14.664 0.854 -10.086 1.00 0.00 H new ATOM 0 HB THR A 96 12.883 -1.332 -10.826 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.643 -2.528 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.568 -2.684 -12.027 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.034 -1.260 -12.952 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.613 -1.248 -12.132 1.00 0.00 H new ATOM 1562 N ASP A 97 13.126 1.522 -12.841 1.00 0.00 N ATOM 1563 CA ASP A 97 13.270 2.120 -14.165 1.00 0.00 C ATOM 1564 C ASP A 97 14.292 3.254 -14.151 1.00 0.00 C ATOM 1565 O ASP A 97 15.193 3.301 -14.989 1.00 0.00 O ATOM 1566 CB ASP A 97 11.918 2.642 -14.658 1.00 0.00 C ATOM 1567 CG ASP A 97 11.995 3.223 -16.056 1.00 0.00 C ATOM 1568 OD1 ASP A 97 11.970 2.438 -17.027 1.00 0.00 O ATOM 1569 OD2 ASP A 97 12.082 4.463 -16.180 1.00 0.00 O ATOM 0 H ASP A 97 12.163 1.451 -12.513 1.00 0.00 H new ATOM 0 HA ASP A 97 13.628 1.348 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.192 1.829 -14.645 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.554 3.405 -13.970 1.00 0.00 H new ATOM 1574 N ASN A 98 14.147 4.164 -13.194 1.00 0.00 N ATOM 1575 CA ASN A 98 15.058 5.296 -13.072 1.00 0.00 C ATOM 1576 C ASN A 98 15.080 5.826 -11.642 1.00 0.00 C ATOM 1577 O ASN A 98 15.302 7.015 -11.413 1.00 0.00 O ATOM 1578 CB ASN A 98 14.651 6.412 -14.035 1.00 0.00 C ATOM 1579 CG ASN A 98 15.304 6.267 -15.396 1.00 0.00 C ATOM 1580 OD1 ASN A 98 16.523 6.132 -15.502 1.00 0.00 O ATOM 1581 ND2 ASN A 98 14.493 6.296 -16.447 1.00 0.00 N ATOM 0 H ASN A 98 13.408 4.140 -12.492 1.00 0.00 H new ATOM 0 HA ASN A 98 16.060 4.952 -13.328 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.567 6.410 -14.153 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.923 7.376 -13.605 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.875 6.204 -17.388 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.488 6.410 -16.313 1.00 0.00 H new ATOM 1588 N GLY A 99 14.846 4.935 -10.682 1.00 0.00 N ATOM 1589 CA GLY A 99 14.843 5.330 -9.286 1.00 0.00 C ATOM 1590 C GLY A 99 13.867 6.455 -9.001 1.00 0.00 C ATOM 1591 O GLY A 99 14.231 7.460 -8.391 1.00 0.00 O ATOM 0 H GLY A 99 14.658 3.946 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.589 4.468 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.847 5.643 -8.999 1.00 0.00 H new ATOM 1595 N ASN A 100 12.623 6.284 -9.435 1.00 0.00 N ATOM 1596 CA ASN A 100 11.596 7.293 -9.209 1.00 0.00 C ATOM 1597 C ASN A 100 11.136 7.256 -7.755 1.00 0.00 C ATOM 1598 O ASN A 100 11.041 6.189 -7.158 1.00 0.00 O ATOM 1599 CB ASN A 100 10.416 7.073 -10.153 1.00 0.00 C ATOM 1600 CG ASN A 100 10.746 7.435 -11.587 1.00 0.00 C ATOM 1601 OD1 ASN A 100 11.776 8.049 -11.864 1.00 0.00 O ATOM 1602 ND2 ASN A 100 9.870 7.055 -12.510 1.00 0.00 N ATOM 0 H ASN A 100 12.303 5.460 -9.943 1.00 0.00 H new ATOM 0 HA ASN A 100 12.018 8.277 -9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.108 6.029 -10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.569 7.671 -9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.039 7.271 -13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.029 6.548 -12.236 1.00 0.00 H new ATOM 1609 N GLU A 101 10.873 8.425 -7.186 1.00 0.00 N ATOM 1610 CA GLU A 101 10.455 8.529 -5.796 1.00 0.00 C ATOM 1611 C GLU A 101 8.969 8.280 -5.622 1.00 0.00 C ATOM 1612 O GLU A 101 8.139 8.786 -6.380 1.00 0.00 O ATOM 1613 CB GLU A 101 10.818 9.901 -5.237 1.00 0.00 C ATOM 1614 CG GLU A 101 12.136 9.908 -4.487 1.00 0.00 C ATOM 1615 CD GLU A 101 11.953 9.944 -2.982 1.00 0.00 C ATOM 1616 OE1 GLU A 101 11.784 8.863 -2.379 1.00 0.00 O ATOM 1617 OE2 GLU A 101 11.978 11.052 -2.407 1.00 0.00 O ATOM 0 H GLU A 101 10.943 9.320 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 101 10.986 7.754 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.869 10.618 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.025 10.236 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.708 9.021 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.722 10.773 -4.798 1.00 0.00 H new ATOM 1624 N LEU A 102 8.656 7.499 -4.597 1.00 0.00 N ATOM 1625 CA LEU A 102 7.280 7.156 -4.269 1.00 0.00 C ATOM 1626 C LEU A 102 7.067 7.241 -2.758 1.00 0.00 C ATOM 1627 O LEU A 102 7.652 6.471 -1.998 1.00 0.00 O ATOM 1628 CB LEU A 102 6.971 5.752 -4.787 1.00 0.00 C ATOM 1629 CG LEU A 102 5.482 5.419 -4.948 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.206 4.790 -6.307 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.015 4.500 -3.832 1.00 0.00 C ATOM 0 H LEU A 102 9.348 7.086 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 102 6.601 7.862 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.460 5.624 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.416 5.027 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 102 4.921 6.352 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.143 4.564 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.495 5.485 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.782 3.870 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.957 4.276 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.588 3.573 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.164 4.991 -2.870 1.00 0.00 H new ATOM 1643 N ASN A 103 6.250 8.201 -2.326 1.00 0.00 N ATOM 1644 CA ASN A 103 5.991 8.405 -0.905 1.00 0.00 C ATOM 1645 C ASN A 103 4.616 7.891 -0.494 1.00 0.00 C ATOM 1646 O ASN A 103 3.664 7.917 -1.275 1.00 0.00 O ATOM 1647 CB ASN A 103 6.101 9.892 -0.556 1.00 0.00 C ATOM 1648 CG ASN A 103 7.282 10.563 -1.230 1.00 0.00 C ATOM 1649 OD1 ASN A 103 8.286 9.920 -1.534 1.00 0.00 O ATOM 1650 ND2 ASN A 103 7.166 11.865 -1.468 1.00 0.00 N ATOM 0 H ASN A 103 5.757 8.848 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 103 6.742 7.836 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.183 10.400 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.193 10.002 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 103 7.928 12.371 -1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.315 12.359 -1.199 1.00 0.00 H new ATOM 1657 N THR A 104 4.526 7.444 0.753 1.00 0.00 N ATOM 1658 CA THR A 104 3.275 6.938 1.310 1.00 0.00 C ATOM 1659 C THR A 104 3.180 7.269 2.796 1.00 0.00 C ATOM 1660 O THR A 104 3.999 6.817 3.596 1.00 0.00 O ATOM 1661 CB THR A 104 3.144 5.423 1.096 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.663 4.705 2.202 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.847 4.923 -0.149 1.00 0.00 C ATOM 0 H THR A 104 5.311 7.421 1.403 1.00 0.00 H new ATOM 0 HA THR A 104 2.454 7.427 0.786 1.00 0.00 H new ATOM 0 HB THR A 104 2.074 5.248 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.348 5.244 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.712 3.845 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.425 5.413 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.911 5.151 -0.083 1.00 0.00 H new ATOM 1671 N VAL A 105 2.177 8.061 3.158 1.00 0.00 N ATOM 1672 CA VAL A 105 1.977 8.454 4.547 1.00 0.00 C ATOM 1673 C VAL A 105 0.697 7.850 5.111 1.00 0.00 C ATOM 1674 O VAL A 105 -0.373 7.968 4.513 1.00 0.00 O ATOM 1675 CB VAL A 105 1.920 9.986 4.694 1.00 0.00 C ATOM 1676 CG1 VAL A 105 1.863 10.382 6.162 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.112 10.635 4.005 1.00 0.00 C ATOM 0 H VAL A 105 1.490 8.443 2.508 1.00 0.00 H new ATOM 0 HA VAL A 105 2.830 8.075 5.109 1.00 0.00 H new ATOM 0 HB VAL A 105 1.011 10.344 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.823 11.468 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.974 9.950 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.751 10.012 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.054 11.717 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.035 10.271 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.102 10.382 2.945 1.00 0.00 H new ATOM 1687 N ARG A 106 0.814 7.203 6.265 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.333 6.580 6.913 1.00 0.00 C ATOM 1689 C ARG A 106 -0.559 7.171 8.301 1.00 0.00 C ATOM 1690 O ARG A 106 0.277 7.019 9.194 1.00 0.00 O ATOM 1691 CB ARG A 106 -0.120 5.067 7.016 1.00 0.00 C ATOM 1692 CG ARG A 106 -1.209 4.247 6.341 1.00 0.00 C ATOM 1693 CD ARG A 106 -0.625 3.074 5.568 1.00 0.00 C ATOM 1694 NE ARG A 106 -1.457 1.876 5.673 1.00 0.00 N ATOM 1695 CZ ARG A 106 -1.675 1.220 6.810 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -1.128 1.641 7.943 1.00 0.00 N ATOM 1697 NH2 ARG A 106 -2.442 0.139 6.814 1.00 0.00 N ATOM 0 H ARG A 106 1.693 7.096 6.771 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.218 6.777 6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.842 4.814 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.067 4.788 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.907 3.878 7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.778 4.884 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.518 3.349 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.374 2.855 5.944 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.897 1.522 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.536 2.472 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.299 1.134 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.865 -0.190 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.609 -0.364 7.685 1.00 0.00 H new ATOM 1711 N GLU A 107 -1.695 7.837 8.478 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.032 8.444 9.762 1.00 0.00 C ATOM 1713 C GLU A 107 -3.418 8.003 10.215 1.00 0.00 C ATOM 1714 O GLU A 107 -4.298 7.750 9.392 1.00 0.00 O ATOM 1715 CB GLU A 107 -1.969 9.971 9.670 1.00 0.00 C ATOM 1716 CG GLU A 107 -2.787 10.549 8.528 1.00 0.00 C ATOM 1717 CD GLU A 107 -2.164 11.801 7.941 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -0.998 11.733 7.499 1.00 0.00 O ATOM 1719 OE2 GLU A 107 -2.843 12.849 7.924 1.00 0.00 O ATOM 0 H GLU A 107 -2.397 7.970 7.750 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.301 8.109 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -2.321 10.397 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.929 10.276 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.892 9.798 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.791 10.780 8.885 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.608 7.905 11.526 1.00 0.00 N ATOM 1727 CA ILE A 108 -4.891 7.484 12.075 1.00 0.00 C ATOM 1728 C ILE A 108 -5.846 8.657 12.232 1.00 0.00 C ATOM 1729 O ILE A 108 -5.854 9.329 13.263 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.740 6.800 13.447 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.547 5.840 13.447 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -6.026 6.067 13.812 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.767 4.598 12.613 1.00 0.00 C ATOM 0 H ILE A 108 -2.894 8.110 12.225 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.297 6.769 11.359 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.552 7.566 14.199 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.668 6.366 13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.330 5.544 14.473 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.908 5.587 14.784 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.850 6.779 13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.240 5.310 13.057 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.880 3.966 12.661 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.626 4.048 12.998 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.954 4.883 11.578 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.668 8.882 11.218 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.645 9.954 11.263 1.00 0.00 C ATOM 1747 C ILE A 109 -8.902 9.466 11.976 1.00 0.00 C ATOM 1748 O ILE A 109 -9.571 8.543 11.513 1.00 0.00 O ATOM 1749 CB ILE A 109 -7.992 10.463 9.847 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -8.411 11.932 9.900 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.085 9.614 9.220 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -7.242 12.891 9.940 1.00 0.00 C ATOM 0 H ILE A 109 -6.676 8.336 10.356 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.214 10.790 11.814 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.102 10.379 9.223 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.027 12.158 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.033 12.093 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.312 9.992 8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.747 8.580 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.981 9.660 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.613 13.915 9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.638 12.692 10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.631 12.758 9.047 1.00 0.00 H new ATOM 1764 N GLY A 110 -9.209 10.062 13.119 1.00 0.00 N ATOM 1765 CA GLY A 110 -10.374 9.633 13.865 1.00 0.00 C ATOM 1766 C GLY A 110 -10.357 8.141 14.121 1.00 0.00 C ATOM 1767 O GLY A 110 -9.378 7.597 14.632 1.00 0.00 O ATOM 0 H GLY A 110 -8.680 10.826 13.539 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.414 10.165 14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.277 9.897 13.314 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.436 7.482 13.740 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.555 6.036 13.898 1.00 0.00 C ATOM 1773 C ASP A 111 -11.265 5.330 12.572 1.00 0.00 C ATOM 1774 O ASP A 111 -11.549 4.143 12.412 1.00 0.00 O ATOM 1775 CB ASP A 111 -12.955 5.668 14.393 1.00 0.00 C ATOM 1776 CG ASP A 111 -12.950 4.434 15.274 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -12.743 4.579 16.497 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -13.155 3.323 14.741 1.00 0.00 O ATOM 0 H ASP A 111 -12.251 7.925 13.315 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.824 5.708 14.637 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.373 6.507 14.950 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.607 5.497 13.536 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.700 6.078 11.626 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.367 5.552 10.309 1.00 0.00 C ATOM 1785 C GLU A 112 -8.952 5.956 9.922 1.00 0.00 C ATOM 1786 O GLU A 112 -8.269 6.652 10.674 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.357 6.078 9.270 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.740 5.464 9.388 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.424 5.294 8.044 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -12.835 5.701 7.021 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -14.550 4.755 8.017 1.00 0.00 O ATOM 0 H GLU A 112 -10.462 7.062 11.753 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.427 4.464 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.438 7.160 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.964 5.881 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.661 4.492 9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.358 6.093 10.028 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.510 5.515 8.752 1.00 0.00 N ATOM 1799 CA LEU A 113 -7.169 5.838 8.285 1.00 0.00 C ATOM 1800 C LEU A 113 -7.197 6.623 6.981 1.00 0.00 C ATOM 1801 O LEU A 113 -7.842 6.222 6.012 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.349 4.561 8.093 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.666 4.024 9.351 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.309 4.684 9.538 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -6.544 4.231 10.578 1.00 0.00 C ATOM 0 H LEU A 113 -9.056 4.937 8.113 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.704 6.462 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.004 3.785 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.586 4.750 7.338 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.514 2.952 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.835 4.292 10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.679 4.472 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.439 5.762 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.035 3.840 11.459 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.737 5.295 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.489 3.705 10.442 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.464 7.727 6.960 1.00 0.00 N ATOM 1818 CA VAL A 114 -6.366 8.561 5.770 1.00 0.00 C ATOM 1819 C VAL A 114 -5.012 8.331 5.109 1.00 0.00 C ATOM 1820 O VAL A 114 -3.968 8.479 5.748 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.538 10.058 6.100 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.476 10.520 7.086 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.501 10.896 4.829 1.00 0.00 C ATOM 0 H VAL A 114 -5.926 8.067 7.757 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.172 8.281 5.092 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.513 10.194 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.617 11.579 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.561 9.945 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.487 10.367 6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.624 11.949 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.544 10.754 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.308 10.586 4.165 1.00 0.00 H new ATOM 1833 N GLN A 115 -5.033 7.930 3.844 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.800 7.639 3.123 1.00 0.00 C ATOM 1835 C GLN A 115 -3.535 8.635 2.000 1.00 0.00 C ATOM 1836 O GLN A 115 -4.439 9.022 1.262 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.855 6.220 2.553 1.00 0.00 C ATOM 1838 CG GLN A 115 -4.568 5.227 3.459 1.00 0.00 C ATOM 1839 CD GLN A 115 -3.939 3.849 3.426 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -2.626 3.796 3.602 1.00 0.00 O flip ATOM 1841 NE2 GLN A 115 -4.626 2.844 3.247 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.885 7.799 3.299 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.979 7.725 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.359 6.245 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.839 5.870 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -4.557 5.602 4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.613 5.152 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -5.634 2.932 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.188 1.923 3.230 1.00 0.00 H new ATOM 1850 N THR A 116 -2.271 9.025 1.879 1.00 0.00 N ATOM 1851 CA THR A 116 -1.829 9.957 0.849 1.00 0.00 C ATOM 1852 C THR A 116 -0.503 9.483 0.270 1.00 0.00 C ATOM 1853 O THR A 116 0.525 9.507 0.947 1.00 0.00 O ATOM 1854 CB THR A 116 -1.677 11.363 1.425 1.00 0.00 C ATOM 1855 OG1 THR A 116 -2.360 11.480 2.661 1.00 0.00 O ATOM 1856 CG2 THR A 116 -2.196 12.447 0.509 1.00 0.00 C ATOM 0 H THR A 116 -1.523 8.703 2.493 1.00 0.00 H new ATOM 0 HA THR A 116 -2.579 9.991 0.058 1.00 0.00 H new ATOM 0 HB THR A 116 -0.604 11.503 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.248 12.388 3.012 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.057 13.420 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.649 12.419 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.257 12.285 0.318 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.534 9.045 -0.979 1.00 0.00 N ATOM 1865 CA TYR A 117 0.661 8.559 -1.644 1.00 0.00 C ATOM 1866 C TYR A 117 1.069 9.514 -2.754 1.00 0.00 C ATOM 1867 O TYR A 117 0.237 10.256 -3.269 1.00 0.00 O ATOM 1868 CB TYR A 117 0.408 7.174 -2.245 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.190 6.159 -1.293 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.505 6.267 -0.851 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.561 5.077 -0.855 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -2.049 5.327 0.004 1.00 0.00 C ATOM 1873 CE2 TYR A 117 0.023 4.132 -0.004 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.281 4.261 0.423 1.00 0.00 C ATOM 1875 OH TYR A 117 -1.819 3.319 1.267 1.00 0.00 O ATOM 0 H TYR A 117 -1.377 9.017 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 117 1.461 8.494 -0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.258 7.283 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.352 6.782 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -2.110 7.098 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.584 4.972 -1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.070 5.427 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.621 3.296 0.326 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.792 3.652 2.188 1.00 0.00 H new ATOM 1885 N VAL A 118 2.342 9.478 -3.137 1.00 0.00 N ATOM 1886 CA VAL A 118 2.833 10.328 -4.207 1.00 0.00 C ATOM 1887 C VAL A 118 4.013 9.680 -4.932 1.00 0.00 C ATOM 1888 O VAL A 118 4.865 9.050 -4.307 1.00 0.00 O ATOM 1889 CB VAL A 118 3.245 11.718 -3.690 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.501 11.638 -2.832 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.447 12.662 -4.862 1.00 0.00 C ATOM 0 H VAL A 118 3.047 8.870 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 118 2.009 10.453 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 118 2.445 12.105 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.767 12.635 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.316 10.990 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.321 11.231 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.739 13.645 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.230 12.272 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.517 12.747 -5.425 1.00 0.00 H new ATOM 1901 N TYR A 119 4.056 9.837 -6.252 1.00 0.00 N ATOM 1902 CA TYR A 119 5.130 9.270 -7.061 1.00 0.00 C ATOM 1903 C TYR A 119 5.296 10.050 -8.361 1.00 0.00 C ATOM 1904 O TYR A 119 4.450 9.974 -9.251 1.00 0.00 O ATOM 1905 CB TYR A 119 4.849 7.796 -7.345 1.00 0.00 C ATOM 1906 CG TYR A 119 5.765 7.178 -8.373 1.00 0.00 C ATOM 1907 CD1 TYR A 119 7.032 6.737 -8.028 1.00 0.00 C ATOM 1908 CD2 TYR A 119 5.355 7.033 -9.684 1.00 0.00 C ATOM 1909 CE1 TYR A 119 7.867 6.165 -8.966 1.00 0.00 C ATOM 1910 CE2 TYR A 119 6.181 6.462 -10.633 1.00 0.00 C ATOM 1911 CZ TYR A 119 7.438 6.029 -10.269 1.00 0.00 C ATOM 1912 OH TYR A 119 8.267 5.460 -11.209 1.00 0.00 O ATOM 0 H TYR A 119 3.357 10.354 -6.785 1.00 0.00 H new ATOM 0 HA TYR A 119 6.064 9.345 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 119 4.935 7.235 -6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.818 7.693 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.372 6.843 -7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.371 7.372 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 119 8.852 5.826 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 119 5.844 6.356 -11.654 1.00 0.00 H new ATOM 0 HH TYR A 119 7.745 5.220 -12.003 1.00 0.00 H new ATOM 1922 N GLU A 120 6.393 10.809 -8.449 1.00 0.00 N ATOM 1923 CA GLU A 120 6.694 11.635 -9.628 1.00 0.00 C ATOM 1924 C GLU A 120 5.421 12.065 -10.345 1.00 0.00 C ATOM 1925 O GLU A 120 4.948 11.375 -11.247 1.00 0.00 O ATOM 1926 CB GLU A 120 7.592 10.882 -10.612 1.00 0.00 C ATOM 1927 CG GLU A 120 8.539 9.898 -9.953 1.00 0.00 C ATOM 1928 CD GLU A 120 9.975 10.075 -10.406 1.00 0.00 C ATOM 1929 OE1 GLU A 120 10.209 10.123 -11.632 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.865 10.165 -9.534 1.00 0.00 O ATOM 0 H GLU A 120 7.095 10.870 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 120 7.216 12.522 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.964 10.346 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.175 11.605 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.486 10.018 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.214 8.882 -10.177 1.00 0.00 H new ATOM 1937 N GLY A 121 4.864 13.199 -9.940 1.00 0.00 N ATOM 1938 CA GLY A 121 3.646 13.677 -10.563 1.00 0.00 C ATOM 1939 C GLY A 121 2.405 12.979 -10.039 1.00 0.00 C ATOM 1940 O GLY A 121 1.324 13.566 -9.993 1.00 0.00 O ATOM 0 H GLY A 121 5.231 13.793 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 121 3.553 14.750 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 121 3.713 13.530 -11.641 1.00 0.00 H new ATOM 1944 N VAL A 122 2.561 11.716 -9.661 1.00 0.00 N ATOM 1945 CA VAL A 122 1.456 10.917 -9.156 1.00 0.00 C ATOM 1946 C VAL A 122 1.206 11.162 -7.676 1.00 0.00 C ATOM 1947 O VAL A 122 2.133 11.404 -6.906 1.00 0.00 O ATOM 1948 CB VAL A 122 1.734 9.417 -9.379 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.503 8.576 -9.126 1.00 0.00 C ATOM 1950 CG2 VAL A 122 2.244 9.186 -10.783 1.00 0.00 C ATOM 0 H VAL A 122 3.452 11.221 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 122 0.566 11.218 -9.708 1.00 0.00 H new ATOM 0 HB VAL A 122 2.497 9.111 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.739 7.525 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.173 8.714 -8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.292 8.882 -9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.437 8.123 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.496 9.522 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.167 9.746 -10.932 1.00 0.00 H new ATOM 1960 N GLU A 123 -0.057 11.082 -7.289 1.00 0.00 N ATOM 1961 CA GLU A 123 -0.457 11.268 -5.911 1.00 0.00 C ATOM 1962 C GLU A 123 -1.847 10.693 -5.706 1.00 0.00 C ATOM 1963 O GLU A 123 -2.817 11.162 -6.300 1.00 0.00 O ATOM 1964 CB GLU A 123 -0.425 12.743 -5.521 1.00 0.00 C ATOM 1965 CG GLU A 123 -0.017 12.964 -4.076 1.00 0.00 C ATOM 1966 CD GLU A 123 0.556 14.346 -3.832 1.00 0.00 C ATOM 1967 OE1 GLU A 123 0.302 15.248 -4.656 1.00 0.00 O ATOM 1968 OE2 GLU A 123 1.259 14.525 -2.815 1.00 0.00 O ATOM 0 H GLU A 123 -0.831 10.886 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 123 0.250 10.743 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.270 13.271 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.411 13.178 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.884 12.816 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.722 12.214 -3.793 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.936 9.661 -4.880 1.00 0.00 N ATOM 1976 CA ALA A 124 -3.209 9.010 -4.625 1.00 0.00 C ATOM 1977 C ALA A 124 -3.595 9.098 -3.157 1.00 0.00 C ATOM 1978 O ALA A 124 -2.777 8.870 -2.270 1.00 0.00 O ATOM 1979 CB ALA A 124 -3.154 7.554 -5.081 1.00 0.00 C ATOM 0 H ALA A 124 -1.145 9.259 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.976 9.531 -5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.113 7.075 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.940 7.515 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.369 7.031 -4.535 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.859 9.417 -2.916 1.00 0.00 N ATOM 1986 CA LYS A 125 -5.385 9.525 -1.564 1.00 0.00 C ATOM 1987 C LYS A 125 -6.275 8.319 -1.307 1.00 0.00 C ATOM 1988 O LYS A 125 -6.743 7.691 -2.256 1.00 0.00 O ATOM 1989 CB LYS A 125 -6.202 10.812 -1.406 1.00 0.00 C ATOM 1990 CG LYS A 125 -5.378 12.034 -1.024 1.00 0.00 C ATOM 1991 CD LYS A 125 -4.285 12.329 -2.041 1.00 0.00 C ATOM 1992 CE LYS A 125 -4.780 13.217 -3.173 1.00 0.00 C ATOM 1993 NZ LYS A 125 -6.146 12.843 -3.632 1.00 0.00 N ATOM 0 H LYS A 125 -5.544 9.607 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.562 9.555 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.721 11.016 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.967 10.652 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.034 12.900 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -4.927 11.875 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.447 12.814 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.912 11.392 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.783 14.255 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.087 13.152 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.445 13.487 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -6.137 11.866 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -6.811 12.914 -2.836 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.502 7.970 -0.050 1.00 0.00 N ATOM 2008 CA ARG A 126 -7.330 6.807 0.234 1.00 0.00 C ATOM 2009 C ARG A 126 -7.839 6.773 1.671 1.00 0.00 C ATOM 2010 O ARG A 126 -7.059 6.751 2.623 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.536 5.534 -0.073 1.00 0.00 C ATOM 2012 CG ARG A 126 -7.284 4.248 0.240 1.00 0.00 C ATOM 2013 CD ARG A 126 -6.448 3.313 1.098 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.761 2.301 0.297 1.00 0.00 N ATOM 2015 CZ ARG A 126 -5.380 1.115 0.766 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -5.612 0.786 2.032 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -4.764 0.255 -0.032 1.00 0.00 N ATOM 0 H ARG A 126 -6.137 8.458 0.768 1.00 0.00 H new ATOM 0 HA ARG A 126 -8.211 6.871 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -6.261 5.535 -1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.608 5.550 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -8.214 4.483 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.554 3.747 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.713 3.893 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.089 2.822 1.830 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.562 2.517 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.085 1.444 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.317 -0.125 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.582 0.502 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.472 -0.654 0.327 1.00 0.00 H new ATOM 2031 N ILE A 127 -9.162 6.717 1.809 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.797 6.624 3.116 1.00 0.00 C ATOM 2033 C ILE A 127 -9.950 5.153 3.466 1.00 0.00 C ATOM 2034 O ILE A 127 -10.185 4.326 2.583 1.00 0.00 O ATOM 2035 CB ILE A 127 -11.185 7.300 3.155 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -11.252 8.473 2.173 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.503 7.768 4.568 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -10.361 9.632 2.542 1.00 0.00 C ATOM 0 H ILE A 127 -9.815 6.735 1.026 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.166 7.146 3.835 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.931 6.565 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.977 8.118 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -12.282 8.825 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.484 8.243 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.504 6.912 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.748 8.485 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.465 10.422 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.649 10.015 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -9.324 9.298 2.574 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.782 4.811 4.734 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.865 3.416 5.137 1.00 0.00 C ATOM 2052 C PHE A 128 -10.780 3.186 6.339 1.00 0.00 C ATOM 2053 O PHE A 128 -10.977 4.066 7.173 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.462 2.902 5.469 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.478 1.675 6.320 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.560 0.431 5.737 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.438 1.766 7.701 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.602 -0.699 6.506 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.473 0.629 8.480 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.555 -0.607 7.882 1.00 0.00 C ATOM 0 H PHE A 128 -9.590 5.468 5.491 1.00 0.00 H new ATOM 0 HA PHE A 128 -10.298 2.870 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.930 2.688 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.905 3.686 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.592 0.346 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.379 2.736 8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.672 -1.668 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.436 0.709 9.556 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.582 -1.501 8.487 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.291 1.959 6.429 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.142 1.541 7.536 1.00 0.00 C ATOM 2072 C LYS A 129 -11.840 0.092 7.879 1.00 0.00 C ATOM 2073 O LYS A 129 -11.245 -0.630 7.081 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.620 1.704 7.209 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.986 1.262 5.814 1.00 0.00 C ATOM 2076 CD LYS A 129 -14.576 -0.137 5.802 1.00 0.00 C ATOM 2077 CE LYS A 129 -16.000 -0.148 6.335 1.00 0.00 C ATOM 2078 NZ LYS A 129 -16.999 -0.338 5.248 1.00 0.00 N ATOM 0 H LYS A 129 -11.125 1.229 5.736 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.927 2.181 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -14.207 1.132 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.897 2.751 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.704 1.963 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.100 1.288 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -14.564 -0.529 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.956 -0.799 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -16.106 -0.947 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -16.201 0.790 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -17.811 -0.876 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -17.323 0.590 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -16.562 -0.861 4.463 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.238 -0.334 9.064 1.00 0.00 N ATOM 2093 CA LYS A 130 -11.984 -1.704 9.490 1.00 0.00 C ATOM 2094 C LYS A 130 -13.263 -2.529 9.528 1.00 0.00 C ATOM 2095 O LYS A 130 -14.355 -2.001 9.741 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.308 -1.725 10.858 1.00 0.00 C ATOM 2097 CG LYS A 130 -10.270 -0.630 11.046 1.00 0.00 C ATOM 2098 CD LYS A 130 -9.736 -0.606 12.469 1.00 0.00 C ATOM 2099 CE LYS A 130 -9.149 0.751 12.821 1.00 0.00 C ATOM 2100 NZ LYS A 130 -7.683 0.805 12.566 1.00 0.00 N ATOM 0 H LYS A 130 -12.734 0.241 9.745 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.316 -2.153 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.070 -1.627 11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.830 -2.694 11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -9.446 -0.785 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -10.712 0.337 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.540 -0.847 13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.972 -1.375 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.648 1.525 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.343 0.969 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -7.321 1.747 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.204 0.084 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.499 0.622 11.559 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.112 -3.833 9.320 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.244 -4.750 9.329 1.00 0.00 C ATOM 2116 C ASP A 131 -14.839 -4.869 10.729 1.00 0.00 C ATOM 2117 O ASP A 131 -16.076 -4.753 10.858 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.805 -6.127 8.830 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.933 -6.889 8.162 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -15.747 -6.251 7.461 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -15.003 -8.123 8.340 1.00 0.00 O ATOM 2122 OXT ASP A 131 -14.062 -5.077 11.685 1.00 0.35 O ATOM 0 H ASP A 131 -12.212 -4.279 9.142 1.00 0.00 H new ATOM 0 HA ASP A 131 -15.011 -4.353 8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.983 -6.009 8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.424 -6.710 9.669 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.635 3.909 -3.251 1.00 20.00 O HETATM 2129 C4 KTR A 201 -0.882 0.503 -4.474 1.00 20.00 C HETATM 2130 C5 KTR A 201 0.148 0.685 -3.657 1.00 20.00 C HETATM 2131 C6 KTR A 201 2.018 -0.299 -2.710 1.00 20.00 C HETATM 2132 N1 KTR A 201 0.815 -0.485 -3.558 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.756 0.904 -1.892 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.851 1.717 -2.781 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.638 2.718 -3.630 1.00 20.00 C HETATM 2136 C10 KTR A 201 0.974 -3.342 -5.891 1.00 20.00 C HETATM 2137 C11 KTR A 201 1.682 -2.520 -6.763 1.00 20.00 C HETATM 2138 C12 KTR A 201 2.016 -2.961 -8.036 1.00 20.00 C HETATM 2139 C13 KTR A 201 1.644 -4.235 -8.448 1.00 20.00 C HETATM 2140 C14 KTR A 201 0.937 -5.064 -7.585 1.00 20.00 C HETATM 2141 C15 KTR A 201 0.606 -4.616 -6.313 1.00 20.00 C HETATM 2142 O1 KTR A 201 0.627 -3.612 -3.531 1.00 20.00 O HETATM 2143 C1 KTR A 201 0.597 -2.847 -4.495 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.182 -1.388 -4.313 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.862 -0.805 -4.885 1.00 20.00 C HETATM 2146 O2 KTR A 201 2.225 2.270 -4.639 1.00 20.00 O HETATM 0 H9 KTR A 201 2.569 -2.309 -8.712 1.00 20.00 H new HETATM 0 H8 KTR A 201 1.977 -1.521 -6.443 1.00 20.00 H new HETATM 0 H7 KTR A 201 0.150 2.319 -2.203 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.276 0.654 -0.946 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.675 1.439 -1.652 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.189 -1.171 -2.079 1.00 20.00 H new HETATM 0 H3 KTR A 201 2.911 -0.168 -3.322 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.612 1.258 -4.766 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.575 -1.279 -5.559 1.00 20.00 H new HETATM 0 H12 KTR A 201 0.052 -5.269 -5.638 1.00 20.00 H new HETATM 0 H11 KTR A 201 0.643 -6.063 -7.906 1.00 20.00 H new HETATM 0 H10 KTR A 201 1.906 -4.584 -9.447 1.00 20.00 H new HETATM 0 H1 KTR A 201 1.051 4.437 -3.835 1.00 20.00 H new