USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= -0.0992 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -0.102 K(o=-0.2,f=1.2) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0713 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.07 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0739 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 23 SER OG : rot -75:sc= 0.194 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 29 GLN : amide:sc= -0.828 K(o=-0.83,f=-4.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 138:sc= -1.45 (180deg=-3.59) USER MOD Single : A 40 ASN : amide:sc= -2.43! C(o=-2.4!,f=-6.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0.00635 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.33!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.396 X(o=-0.4,f=0.031) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -4.41! C(o=-4.4!,f=-16!) USER MOD Single : A 74 ASN : amide:sc= -0.0731 K(o=-0.073,f=-0.91!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.748 USER MOD Single : A 81 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.15) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 21:sc= 0.254 USER MOD Single : A 86 SER OG : rot 180:sc= -0.277 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-1.5) USER MOD Single : A 95 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.36) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0.102 K(o=0.1,f=0.79) USER MOD Single : A 98 SER OG : rot 48:sc= 1.29 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.092) USER MOD Single : A 110 SER OG : rot 180:sc=-0.000584 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.177 -24.686 -17.435 1.00 0.00 N ATOM 2 CA GLY A 1 11.124 -25.675 -17.580 1.00 0.00 C ATOM 3 C GLY A 1 9.815 -25.065 -18.037 1.00 0.00 C ATOM 4 O GLY A 1 9.792 -23.958 -18.575 1.00 0.00 O ATOM 0 H1 GLY A 1 13.066 -25.067 -17.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.917 -23.824 -17.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.303 -24.458 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.438 -26.433 -18.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.972 -26.182 -16.627 1.00 0.00 H new ATOM 8 N SER A 2 8.720 -25.788 -17.825 1.00 0.00 N ATOM 9 CA SER A 2 7.401 -25.314 -18.226 1.00 0.00 C ATOM 10 C SER A 2 6.386 -25.521 -17.104 1.00 0.00 C ATOM 11 O SER A 2 5.720 -26.553 -17.038 1.00 0.00 O ATOM 12 CB SER A 2 6.936 -26.040 -19.490 1.00 0.00 C ATOM 13 OG SER A 2 6.792 -27.430 -19.256 1.00 0.00 O ATOM 0 H SER A 2 8.720 -26.705 -17.378 1.00 0.00 H new ATOM 0 HA SER A 2 7.474 -24.247 -18.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.985 -25.624 -19.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.655 -25.876 -20.293 1.00 0.00 H new ATOM 0 HG SER A 2 6.393 -27.573 -18.373 1.00 0.00 H new ATOM 19 N SER A 3 6.276 -24.530 -16.225 1.00 0.00 N ATOM 20 CA SER A 3 5.345 -24.604 -15.104 1.00 0.00 C ATOM 21 C SER A 3 4.363 -23.437 -15.136 1.00 0.00 C ATOM 22 O SER A 3 4.453 -22.559 -15.992 1.00 0.00 O ATOM 23 CB SER A 3 6.111 -24.605 -13.779 1.00 0.00 C ATOM 24 OG SER A 3 6.809 -23.386 -13.592 1.00 0.00 O ATOM 0 H SER A 3 6.819 -23.668 -16.267 1.00 0.00 H new ATOM 0 HA SER A 3 4.781 -25.533 -15.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.416 -24.760 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.815 -25.437 -13.763 1.00 0.00 H new ATOM 0 HG SER A 3 7.289 -23.411 -12.738 1.00 0.00 H new ATOM 30 N GLY A 4 3.423 -23.436 -14.195 1.00 0.00 N ATOM 31 CA GLY A 4 2.436 -22.374 -14.133 1.00 0.00 C ATOM 32 C GLY A 4 2.243 -21.846 -12.726 1.00 0.00 C ATOM 33 O GLY A 4 1.301 -22.233 -12.034 1.00 0.00 O ATOM 0 H GLY A 4 3.328 -24.152 -13.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.744 -21.557 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.484 -22.744 -14.513 1.00 0.00 H new ATOM 37 N SER A 5 3.136 -20.959 -12.300 1.00 0.00 N ATOM 38 CA SER A 5 3.062 -20.380 -10.964 1.00 0.00 C ATOM 39 C SER A 5 2.501 -18.962 -11.016 1.00 0.00 C ATOM 40 O SER A 5 2.759 -18.215 -11.959 1.00 0.00 O ATOM 41 CB SER A 5 4.447 -20.368 -10.312 1.00 0.00 C ATOM 42 OG SER A 5 5.340 -19.532 -11.027 1.00 0.00 O ATOM 0 H SER A 5 3.920 -20.625 -12.861 1.00 0.00 H new ATOM 0 HA SER A 5 2.391 -20.996 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.365 -20.021 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.844 -21.382 -10.275 1.00 0.00 H new ATOM 0 HG SER A 5 6.217 -19.540 -10.590 1.00 0.00 H new ATOM 48 N SER A 6 1.731 -18.599 -9.995 1.00 0.00 N ATOM 49 CA SER A 6 1.129 -17.273 -9.924 1.00 0.00 C ATOM 50 C SER A 6 1.893 -16.381 -8.951 1.00 0.00 C ATOM 51 O SER A 6 1.880 -16.610 -7.741 1.00 0.00 O ATOM 52 CB SER A 6 -0.336 -17.377 -9.498 1.00 0.00 C ATOM 53 OG SER A 6 -1.180 -17.583 -10.617 1.00 0.00 O ATOM 0 H SER A 6 1.509 -19.205 -9.205 1.00 0.00 H new ATOM 0 HA SER A 6 1.179 -16.824 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.455 -18.199 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.632 -16.466 -8.978 1.00 0.00 H new ATOM 0 HG SER A 6 -2.111 -17.648 -10.317 1.00 0.00 H new ATOM 59 N GLY A 7 2.557 -15.362 -9.487 1.00 0.00 N ATOM 60 CA GLY A 7 3.317 -14.450 -8.653 1.00 0.00 C ATOM 61 C GLY A 7 2.820 -13.021 -8.752 1.00 0.00 C ATOM 62 O GLY A 7 2.138 -12.658 -9.712 1.00 0.00 O ATOM 0 H GLY A 7 2.582 -15.152 -10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.261 -14.780 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.367 -14.487 -8.943 1.00 0.00 H new ATOM 66 N LEU A 8 3.157 -12.209 -7.757 1.00 0.00 N ATOM 67 CA LEU A 8 2.738 -10.811 -7.735 1.00 0.00 C ATOM 68 C LEU A 8 3.844 -9.903 -8.264 1.00 0.00 C ATOM 69 O LEU A 8 4.021 -8.783 -7.787 1.00 0.00 O ATOM 70 CB LEU A 8 2.358 -10.396 -6.313 1.00 0.00 C ATOM 71 CG LEU A 8 1.215 -11.180 -5.669 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.174 -10.929 -4.169 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.116 -10.810 -6.310 1.00 0.00 C ATOM 0 H LEU A 8 3.719 -12.494 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 8 1.867 -10.707 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.240 -10.492 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.087 -9.340 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 8 1.392 -12.243 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.354 -11.495 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.116 -11.246 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.023 -9.866 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.918 -11.378 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.300 -9.744 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.084 -11.042 -7.374 1.00 0.00 H new ATOM 85 N ASP A 9 4.584 -10.394 -9.252 1.00 0.00 N ATOM 86 CA ASP A 9 5.670 -9.625 -9.848 1.00 0.00 C ATOM 87 C ASP A 9 5.150 -8.723 -10.963 1.00 0.00 C ATOM 88 O ASP A 9 5.538 -7.559 -11.065 1.00 0.00 O ATOM 89 CB ASP A 9 6.747 -10.564 -10.395 1.00 0.00 C ATOM 90 CG ASP A 9 7.583 -9.915 -11.481 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.263 -8.910 -11.184 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.559 -10.411 -12.626 1.00 0.00 O ATOM 0 H ASP A 9 4.452 -11.321 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 9 6.106 -8.997 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.398 -10.880 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.274 -11.462 -10.792 1.00 0.00 H new ATOM 97 N ASP A 10 4.271 -9.269 -11.796 1.00 0.00 N ATOM 98 CA ASP A 10 3.697 -8.514 -12.904 1.00 0.00 C ATOM 99 C ASP A 10 3.348 -7.093 -12.470 1.00 0.00 C ATOM 100 O ASP A 10 3.742 -6.122 -13.115 1.00 0.00 O ATOM 101 CB ASP A 10 2.449 -9.218 -13.438 1.00 0.00 C ATOM 102 CG ASP A 10 2.009 -8.676 -14.784 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.869 -8.538 -15.678 1.00 0.00 O ATOM 104 OD2 ASP A 10 0.803 -8.392 -14.942 1.00 0.00 O ATOM 0 H ASP A 10 3.940 -10.231 -11.725 1.00 0.00 H new ATOM 0 HA ASP A 10 4.441 -8.460 -13.698 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.648 -10.286 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.636 -9.104 -12.721 1.00 0.00 H new ATOM 109 N TYR A 11 2.605 -6.980 -11.374 1.00 0.00 N ATOM 110 CA TYR A 11 2.200 -5.679 -10.857 1.00 0.00 C ATOM 111 C TYR A 11 3.409 -4.770 -10.659 1.00 0.00 C ATOM 112 O TYR A 11 4.539 -5.241 -10.529 1.00 0.00 O ATOM 113 CB TYR A 11 1.450 -5.845 -9.533 1.00 0.00 C ATOM 114 CG TYR A 11 0.184 -6.664 -9.653 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.871 -6.236 -10.447 1.00 0.00 C ATOM 116 CD2 TYR A 11 0.046 -7.866 -8.970 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.030 -6.979 -10.559 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.108 -8.618 -9.076 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.143 -8.171 -9.871 1.00 0.00 C ATOM 120 OH TYR A 11 -3.295 -8.915 -9.980 1.00 0.00 O ATOM 0 H TYR A 11 2.271 -7.774 -10.827 1.00 0.00 H new ATOM 0 HA TYR A 11 1.537 -5.216 -11.588 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.111 -6.318 -8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.199 -4.859 -9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.784 -5.305 -10.987 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.854 -8.218 -8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.842 -6.630 -11.180 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.199 -9.551 -8.539 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.214 -9.725 -9.435 1.00 0.00 H new ATOM 130 N ASP A 12 3.163 -3.465 -10.637 1.00 0.00 N ATOM 131 CA ASP A 12 4.230 -2.489 -10.453 1.00 0.00 C ATOM 132 C ASP A 12 4.355 -2.090 -8.986 1.00 0.00 C ATOM 133 O ASP A 12 5.440 -2.145 -8.408 1.00 0.00 O ATOM 134 CB ASP A 12 3.970 -1.249 -11.311 1.00 0.00 C ATOM 135 CG ASP A 12 3.984 -1.559 -12.795 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.086 -1.600 -13.383 1.00 0.00 O ATOM 137 OD2 ASP A 12 2.894 -1.763 -13.369 1.00 0.00 O ATOM 0 H ASP A 12 2.234 -3.059 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 12 5.167 -2.949 -10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.005 -0.820 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.726 -0.495 -11.093 1.00 0.00 H new ATOM 142 N TRP A 13 3.239 -1.686 -8.392 1.00 0.00 N ATOM 143 CA TRP A 13 3.224 -1.277 -6.991 1.00 0.00 C ATOM 144 C TRP A 13 3.930 -2.306 -6.116 1.00 0.00 C ATOM 145 O TRP A 13 4.677 -1.951 -5.204 1.00 0.00 O ATOM 146 CB TRP A 13 1.785 -1.082 -6.511 1.00 0.00 C ATOM 147 CG TRP A 13 0.814 -2.033 -7.142 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.082 -1.826 -8.276 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.468 -3.341 -6.672 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.698 -2.927 -8.539 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.479 -3.870 -7.570 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.867 -4.117 -5.581 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.031 -5.138 -7.409 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.318 -5.375 -5.422 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.621 -5.876 -6.332 1.00 0.00 C ATOM 0 H TRP A 13 2.333 -1.632 -8.857 1.00 0.00 H new ATOM 0 HA TRP A 13 3.758 -0.331 -6.909 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.751 -1.205 -5.428 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.473 -0.060 -6.726 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.111 -0.930 -8.878 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.337 -3.026 -9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.592 -3.740 -4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.757 -5.525 -8.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.618 -5.983 -4.581 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.030 -6.864 -6.181 1.00 0.00 H new ATOM 166 N PHE A 14 3.688 -3.582 -6.397 1.00 0.00 N ATOM 167 CA PHE A 14 4.302 -4.662 -5.634 1.00 0.00 C ATOM 168 C PHE A 14 5.823 -4.596 -5.722 1.00 0.00 C ATOM 169 O PHE A 14 6.417 -5.021 -6.712 1.00 0.00 O ATOM 170 CB PHE A 14 3.809 -6.019 -6.144 1.00 0.00 C ATOM 171 CG PHE A 14 4.251 -7.175 -5.294 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.557 -7.509 -4.142 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.360 -7.928 -5.646 1.00 0.00 C ATOM 174 CE1 PHE A 14 3.961 -8.573 -3.357 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.768 -8.993 -4.866 1.00 0.00 C ATOM 176 CZ PHE A 14 5.068 -9.315 -3.719 1.00 0.00 C ATOM 0 H PHE A 14 3.071 -3.893 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 14 4.012 -4.545 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.720 -6.007 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.169 -6.168 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.691 -6.932 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.912 -7.679 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.411 -8.824 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.633 -9.573 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.386 -10.146 -3.107 1.00 0.00 H new ATOM 186 N ALA A 15 6.447 -4.058 -4.680 1.00 0.00 N ATOM 187 CA ALA A 15 7.899 -3.936 -4.637 1.00 0.00 C ATOM 188 C ALA A 15 8.552 -5.267 -4.284 1.00 0.00 C ATOM 189 O ALA A 15 9.554 -5.657 -4.882 1.00 0.00 O ATOM 190 CB ALA A 15 8.310 -2.863 -3.640 1.00 0.00 C ATOM 0 H ALA A 15 5.969 -3.699 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 15 8.243 -3.645 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.397 -2.783 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.882 -1.906 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.946 -3.130 -2.648 1.00 0.00 H new ATOM 196 N GLY A 16 7.976 -5.963 -3.307 1.00 0.00 N ATOM 197 CA GLY A 16 8.518 -7.243 -2.891 1.00 0.00 C ATOM 198 C GLY A 16 9.333 -7.142 -1.617 1.00 0.00 C ATOM 199 O GLY A 16 8.988 -6.384 -0.711 1.00 0.00 O ATOM 0 H GLY A 16 7.145 -5.663 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.701 -7.948 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.144 -7.645 -3.688 1.00 0.00 H new ATOM 203 N ASN A 17 10.417 -7.908 -1.547 1.00 0.00 N ATOM 204 CA ASN A 17 11.282 -7.903 -0.374 1.00 0.00 C ATOM 205 C ASN A 17 12.115 -6.626 -0.318 1.00 0.00 C ATOM 206 O ASN A 17 13.033 -6.436 -1.116 1.00 0.00 O ATOM 207 CB ASN A 17 12.202 -9.125 -0.387 1.00 0.00 C ATOM 208 CG ASN A 17 13.341 -9.003 0.608 1.00 0.00 C ATOM 209 OD1 ASN A 17 13.139 -9.128 1.816 1.00 0.00 O ATOM 210 ND2 ASN A 17 14.544 -8.759 0.103 1.00 0.00 N ATOM 0 H ASN A 17 10.717 -8.540 -2.289 1.00 0.00 H new ATOM 0 HA ASN A 17 10.649 -7.943 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.619 -10.018 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.611 -9.258 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 17 15.349 -8.668 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 17 14.664 -8.663 -0.905 1.00 0.00 H new ATOM 217 N ILE A 18 11.788 -5.754 0.630 1.00 0.00 N ATOM 218 CA ILE A 18 12.507 -4.496 0.791 1.00 0.00 C ATOM 219 C ILE A 18 12.977 -4.311 2.229 1.00 0.00 C ATOM 220 O ILE A 18 12.722 -5.154 3.090 1.00 0.00 O ATOM 221 CB ILE A 18 11.633 -3.293 0.390 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.270 -3.372 1.082 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.463 -3.241 -1.121 1.00 0.00 C ATOM 224 CD1 ILE A 18 10.279 -2.836 2.497 1.00 0.00 C ATOM 0 H ILE A 18 11.030 -5.895 1.298 1.00 0.00 H new ATOM 0 HA ILE A 18 13.374 -4.542 0.131 1.00 0.00 H new ATOM 0 HB ILE A 18 12.131 -2.378 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.541 -2.814 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.939 -4.410 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.843 -2.385 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.440 -3.143 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.984 -4.158 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.281 -2.923 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.984 -3.410 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.579 -1.788 2.487 1.00 0.00 H new ATOM 236 N SER A 19 13.665 -3.203 2.484 1.00 0.00 N ATOM 237 CA SER A 19 14.173 -2.909 3.819 1.00 0.00 C ATOM 238 C SER A 19 13.520 -1.651 4.384 1.00 0.00 C ATOM 239 O SER A 19 13.184 -0.726 3.644 1.00 0.00 O ATOM 240 CB SER A 19 15.693 -2.734 3.782 1.00 0.00 C ATOM 241 OG SER A 19 16.189 -2.311 5.041 1.00 0.00 O ATOM 0 H SER A 19 13.884 -2.494 1.784 1.00 0.00 H new ATOM 0 HA SER A 19 13.926 -3.749 4.468 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.164 -3.676 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.960 -2.003 3.018 1.00 0.00 H new ATOM 0 HG SER A 19 17.162 -2.208 4.991 1.00 0.00 H new ATOM 247 N ARG A 20 13.339 -1.626 5.701 1.00 0.00 N ATOM 248 CA ARG A 20 12.725 -0.484 6.366 1.00 0.00 C ATOM 249 C ARG A 20 13.229 0.828 5.773 1.00 0.00 C ATOM 250 O ARG A 20 12.546 1.850 5.828 1.00 0.00 O ATOM 251 CB ARG A 20 13.017 -0.524 7.867 1.00 0.00 C ATOM 252 CG ARG A 20 12.332 0.585 8.650 1.00 0.00 C ATOM 253 CD ARG A 20 13.105 0.936 9.913 1.00 0.00 C ATOM 254 NE ARG A 20 12.337 1.802 10.802 1.00 0.00 N ATOM 255 CZ ARG A 20 11.321 1.377 11.544 1.00 0.00 C ATOM 256 NH1 ARG A 20 10.953 0.104 11.504 1.00 0.00 N ATOM 257 NH2 ARG A 20 10.670 2.226 12.330 1.00 0.00 N ATOM 0 H ARG A 20 13.609 -2.384 6.328 1.00 0.00 H new ATOM 0 HA ARG A 20 11.648 -0.541 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.699 -1.488 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.094 -0.455 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.238 1.471 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.322 0.274 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.372 0.020 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.037 1.431 9.641 1.00 0.00 H new ATOM 0 HE ARG A 20 12.595 2.787 10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.451 -0.552 10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.172 -0.219 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.950 3.206 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.890 1.898 12.899 1.00 0.00 H new ATOM 271 N SER A 21 14.431 0.791 5.206 1.00 0.00 N ATOM 272 CA SER A 21 15.030 1.978 4.606 1.00 0.00 C ATOM 273 C SER A 21 14.501 2.197 3.192 1.00 0.00 C ATOM 274 O SER A 21 13.947 3.253 2.882 1.00 0.00 O ATOM 275 CB SER A 21 16.554 1.847 4.578 1.00 0.00 C ATOM 276 OG SER A 21 17.118 2.177 5.835 1.00 0.00 O ATOM 0 H SER A 21 15.009 -0.048 5.150 1.00 0.00 H new ATOM 0 HA SER A 21 14.758 2.840 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.829 0.827 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.964 2.501 3.809 1.00 0.00 H new ATOM 0 HG SER A 21 18.093 2.084 5.791 1.00 0.00 H new ATOM 282 N GLN A 22 14.676 1.194 2.339 1.00 0.00 N ATOM 283 CA GLN A 22 14.216 1.278 0.958 1.00 0.00 C ATOM 284 C GLN A 22 12.761 1.727 0.894 1.00 0.00 C ATOM 285 O GLN A 22 12.426 2.681 0.191 1.00 0.00 O ATOM 286 CB GLN A 22 14.376 -0.076 0.262 1.00 0.00 C ATOM 287 CG GLN A 22 15.797 -0.364 -0.191 1.00 0.00 C ATOM 288 CD GLN A 22 16.117 -1.846 -0.203 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.534 -2.612 -0.971 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.047 -2.259 0.650 1.00 0.00 N ATOM 0 H GLN A 22 15.133 0.314 2.579 1.00 0.00 H new ATOM 0 HA GLN A 22 14.828 2.019 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.054 -0.865 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.714 -0.111 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.945 0.044 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.496 0.149 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.505 -1.590 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.303 -3.246 0.687 1.00 0.00 H new ATOM 299 N SER A 23 11.900 1.034 1.632 1.00 0.00 N ATOM 300 CA SER A 23 10.478 1.360 1.656 1.00 0.00 C ATOM 301 C SER A 23 10.268 2.869 1.716 1.00 0.00 C ATOM 302 O SER A 23 9.379 3.409 1.058 1.00 0.00 O ATOM 303 CB SER A 23 9.801 0.691 2.854 1.00 0.00 C ATOM 304 OG SER A 23 10.557 0.878 4.038 1.00 0.00 O ATOM 0 H SER A 23 12.162 0.244 2.221 1.00 0.00 H new ATOM 0 HA SER A 23 10.028 0.985 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.801 1.104 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.682 -0.375 2.660 1.00 0.00 H new ATOM 0 HG SER A 23 11.340 0.289 4.022 1.00 0.00 H new ATOM 310 N GLU A 24 11.093 3.545 2.510 1.00 0.00 N ATOM 311 CA GLU A 24 10.997 4.993 2.656 1.00 0.00 C ATOM 312 C GLU A 24 11.742 5.704 1.531 1.00 0.00 C ATOM 313 O GLU A 24 11.164 6.511 0.804 1.00 0.00 O ATOM 314 CB GLU A 24 11.561 5.429 4.010 1.00 0.00 C ATOM 315 CG GLU A 24 10.581 5.263 5.159 1.00 0.00 C ATOM 316 CD GLU A 24 11.220 5.508 6.512 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.986 4.636 6.973 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.955 6.573 7.110 1.00 0.00 O ATOM 0 H GLU A 24 11.835 3.113 3.062 1.00 0.00 H new ATOM 0 HA GLU A 24 9.944 5.269 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.460 4.850 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.863 6.475 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.749 5.954 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.166 4.255 5.135 1.00 0.00 H new ATOM 325 N GLN A 25 13.028 5.398 1.394 1.00 0.00 N ATOM 326 CA GLN A 25 13.853 6.010 0.358 1.00 0.00 C ATOM 327 C GLN A 25 13.114 6.043 -0.977 1.00 0.00 C ATOM 328 O GLN A 25 12.865 7.113 -1.533 1.00 0.00 O ATOM 329 CB GLN A 25 15.169 5.245 0.206 1.00 0.00 C ATOM 330 CG GLN A 25 16.087 5.820 -0.859 1.00 0.00 C ATOM 331 CD GLN A 25 17.501 5.280 -0.765 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.715 4.135 -0.364 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.476 6.103 -1.135 1.00 0.00 N ATOM 0 H GLN A 25 13.521 4.730 1.987 1.00 0.00 H new ATOM 0 HA GLN A 25 14.069 7.035 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.692 5.244 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.949 4.206 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.680 5.593 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.110 6.906 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.253 7.043 -1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.447 5.794 -1.093 1.00 0.00 H new ATOM 342 N LEU A 26 12.766 4.867 -1.484 1.00 0.00 N ATOM 343 CA LEU A 26 12.055 4.760 -2.753 1.00 0.00 C ATOM 344 C LEU A 26 10.957 5.815 -2.852 1.00 0.00 C ATOM 345 O LEU A 26 11.016 6.711 -3.696 1.00 0.00 O ATOM 346 CB LEU A 26 11.451 3.363 -2.908 1.00 0.00 C ATOM 347 CG LEU A 26 12.438 2.195 -2.845 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.706 0.897 -2.544 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.216 2.084 -4.148 1.00 0.00 C ATOM 0 H LEU A 26 12.965 3.973 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 26 12.771 4.930 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.703 3.223 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.927 3.319 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 26 13.147 2.384 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.422 0.076 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.195 0.981 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.975 0.701 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.913 1.248 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.523 1.917 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.770 3.007 -4.321 1.00 0.00 H new ATOM 361 N LEU A 27 9.958 5.704 -1.985 1.00 0.00 N ATOM 362 CA LEU A 27 8.847 6.649 -1.973 1.00 0.00 C ATOM 363 C LEU A 27 9.355 8.087 -2.002 1.00 0.00 C ATOM 364 O LEU A 27 9.007 8.861 -2.894 1.00 0.00 O ATOM 365 CB LEU A 27 7.978 6.429 -0.733 1.00 0.00 C ATOM 366 CG LEU A 27 7.017 5.240 -0.790 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.406 4.981 0.579 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.928 5.483 -1.824 1.00 0.00 C ATOM 0 H LEU A 27 9.894 4.969 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 27 8.246 6.477 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.634 6.300 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.396 7.333 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 27 7.581 4.356 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.725 4.132 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.198 4.761 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.857 5.864 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.254 4.627 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.367 6.379 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.382 5.618 -2.806 1.00 0.00 H new ATOM 380 N ARG A 28 10.182 8.437 -1.022 1.00 0.00 N ATOM 381 CA ARG A 28 10.739 9.782 -0.936 1.00 0.00 C ATOM 382 C ARG A 28 11.225 10.256 -2.302 1.00 0.00 C ATOM 383 O ARG A 28 10.820 11.316 -2.781 1.00 0.00 O ATOM 384 CB ARG A 28 11.893 9.815 0.068 1.00 0.00 C ATOM 385 CG ARG A 28 11.438 9.826 1.518 1.00 0.00 C ATOM 386 CD ARG A 28 12.620 9.759 2.473 1.00 0.00 C ATOM 387 NE ARG A 28 13.560 10.856 2.259 1.00 0.00 N ATOM 388 CZ ARG A 28 14.748 10.930 2.848 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.139 9.977 3.682 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.548 11.960 2.603 1.00 0.00 N ATOM 0 H ARG A 28 10.481 7.808 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 28 9.951 10.455 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.532 8.947 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.502 10.699 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.862 10.731 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.774 8.980 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.258 9.787 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.137 8.808 2.344 1.00 0.00 H new ATOM 0 HE ARG A 28 13.289 11.606 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.527 9.184 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.052 10.037 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.251 12.696 1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.460 12.016 3.056 1.00 0.00 H new ATOM 404 N GLN A 29 12.095 9.467 -2.923 1.00 0.00 N ATOM 405 CA GLN A 29 12.637 9.808 -4.233 1.00 0.00 C ATOM 406 C GLN A 29 11.528 10.252 -5.182 1.00 0.00 C ATOM 407 O GLN A 29 11.641 11.283 -5.846 1.00 0.00 O ATOM 408 CB GLN A 29 13.384 8.612 -4.827 1.00 0.00 C ATOM 409 CG GLN A 29 14.735 8.357 -4.180 1.00 0.00 C ATOM 410 CD GLN A 29 15.787 9.361 -4.611 1.00 0.00 C ATOM 411 OE1 GLN A 29 15.526 10.563 -4.671 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.984 8.871 -4.916 1.00 0.00 N ATOM 0 H GLN A 29 12.440 8.587 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 29 13.334 10.636 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.766 7.720 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.527 8.777 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.627 8.392 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.072 7.352 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.156 7.868 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.731 9.498 -5.214 1.00 0.00 H new ATOM 421 N LYS A 30 10.457 9.468 -5.240 1.00 0.00 N ATOM 422 CA LYS A 30 9.327 9.780 -6.107 1.00 0.00 C ATOM 423 C LYS A 30 8.806 11.187 -5.836 1.00 0.00 C ATOM 424 O LYS A 30 8.409 11.900 -6.758 1.00 0.00 O ATOM 425 CB LYS A 30 8.203 8.761 -5.901 1.00 0.00 C ATOM 426 CG LYS A 30 7.177 8.752 -7.021 1.00 0.00 C ATOM 427 CD LYS A 30 7.692 8.009 -8.242 1.00 0.00 C ATOM 428 CE LYS A 30 6.553 7.385 -9.035 1.00 0.00 C ATOM 429 NZ LYS A 30 7.039 6.332 -9.969 1.00 0.00 N ATOM 0 H LYS A 30 10.348 8.612 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 30 9.670 9.731 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.638 7.766 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.698 8.975 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.258 8.284 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.928 9.777 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.248 8.696 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.388 7.231 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.826 6.953 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.036 8.161 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.233 5.932 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.714 6.749 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.510 5.579 -9.428 1.00 0.00 H new ATOM 443 N GLY A 31 8.812 11.582 -4.567 1.00 0.00 N ATOM 444 CA GLY A 31 8.340 12.904 -4.198 1.00 0.00 C ATOM 445 C GLY A 31 6.989 13.226 -4.805 1.00 0.00 C ATOM 446 O GLY A 31 6.771 14.332 -5.303 1.00 0.00 O ATOM 0 H GLY A 31 9.136 11.010 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.273 12.973 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.067 13.649 -4.520 1.00 0.00 H new ATOM 450 N LYS A 32 6.079 12.259 -4.767 1.00 0.00 N ATOM 451 CA LYS A 32 4.742 12.445 -5.317 1.00 0.00 C ATOM 452 C LYS A 32 3.675 12.067 -4.294 1.00 0.00 C ATOM 453 O LYS A 32 3.234 10.919 -4.239 1.00 0.00 O ATOM 454 CB LYS A 32 4.568 11.603 -6.584 1.00 0.00 C ATOM 455 CG LYS A 32 5.273 12.181 -7.799 1.00 0.00 C ATOM 456 CD LYS A 32 4.377 13.148 -8.556 1.00 0.00 C ATOM 457 CE LYS A 32 4.981 13.533 -9.897 1.00 0.00 C ATOM 458 NZ LYS A 32 4.225 14.637 -10.550 1.00 0.00 N ATOM 0 H LYS A 32 6.243 11.338 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 32 4.623 13.499 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.948 10.598 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.505 11.506 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.181 12.695 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.579 11.372 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.399 12.693 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.218 14.044 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.018 13.838 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.992 12.663 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.669 14.870 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.242 14.337 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.236 15.476 -9.935 1.00 0.00 H new ATOM 472 N GLU A 33 3.264 13.041 -3.487 1.00 0.00 N ATOM 473 CA GLU A 33 2.248 12.809 -2.467 1.00 0.00 C ATOM 474 C GLU A 33 1.148 11.892 -2.993 1.00 0.00 C ATOM 475 O GLU A 33 0.426 12.242 -3.926 1.00 0.00 O ATOM 476 CB GLU A 33 1.645 14.137 -2.006 1.00 0.00 C ATOM 477 CG GLU A 33 2.607 14.999 -1.207 1.00 0.00 C ATOM 478 CD GLU A 33 3.448 15.905 -2.088 1.00 0.00 C ATOM 479 OE1 GLU A 33 2.887 16.498 -3.033 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.665 16.018 -1.833 1.00 0.00 O ATOM 0 H GLU A 33 3.619 13.997 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 33 2.727 12.322 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.309 14.696 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.763 13.934 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.043 15.607 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.264 14.356 -0.621 1.00 0.00 H new ATOM 487 N GLY A 34 1.026 10.715 -2.387 1.00 0.00 N ATOM 488 CA GLY A 34 0.012 9.766 -2.807 1.00 0.00 C ATOM 489 C GLY A 34 0.599 8.423 -3.193 1.00 0.00 C ATOM 490 O GLY A 34 -0.023 7.382 -2.982 1.00 0.00 O ATOM 0 H GLY A 34 1.611 10.402 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.707 9.626 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.536 10.176 -3.655 1.00 0.00 H new ATOM 494 N ALA A 35 1.801 8.445 -3.760 1.00 0.00 N ATOM 495 CA ALA A 35 2.473 7.220 -4.176 1.00 0.00 C ATOM 496 C ALA A 35 2.219 6.091 -3.183 1.00 0.00 C ATOM 497 O ALA A 35 2.099 6.325 -1.979 1.00 0.00 O ATOM 498 CB ALA A 35 3.966 7.464 -4.331 1.00 0.00 C ATOM 0 H ALA A 35 2.329 9.298 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 35 2.064 6.919 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.455 6.541 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.133 8.234 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.382 7.792 -3.378 1.00 0.00 H new ATOM 504 N PHE A 36 2.137 4.867 -3.693 1.00 0.00 N ATOM 505 CA PHE A 36 1.896 3.702 -2.850 1.00 0.00 C ATOM 506 C PHE A 36 2.734 2.513 -3.312 1.00 0.00 C ATOM 507 O PHE A 36 3.202 2.475 -4.450 1.00 0.00 O ATOM 508 CB PHE A 36 0.411 3.331 -2.869 1.00 0.00 C ATOM 509 CG PHE A 36 0.023 2.472 -4.038 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.094 2.966 -5.331 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.413 1.171 -3.845 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.264 2.177 -6.408 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.772 0.378 -4.918 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.696 0.881 -6.202 1.00 0.00 C ATOM 0 H PHE A 36 2.234 4.656 -4.686 1.00 0.00 H new ATOM 0 HA PHE A 36 2.188 3.956 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.164 2.807 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.183 4.245 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.433 3.978 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.473 0.772 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.206 2.574 -7.411 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.112 -0.634 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.974 0.263 -7.043 1.00 0.00 H new ATOM 524 N MET A 37 2.919 1.546 -2.420 1.00 0.00 N ATOM 525 CA MET A 37 3.701 0.356 -2.736 1.00 0.00 C ATOM 526 C MET A 37 3.348 -0.792 -1.795 1.00 0.00 C ATOM 527 O MET A 37 2.708 -0.588 -0.763 1.00 0.00 O ATOM 528 CB MET A 37 5.197 0.663 -2.646 1.00 0.00 C ATOM 529 CG MET A 37 5.679 0.924 -1.228 1.00 0.00 C ATOM 530 SD MET A 37 7.398 0.441 -0.979 1.00 0.00 S ATOM 531 CE MET A 37 8.181 1.242 -2.377 1.00 0.00 C ATOM 0 H MET A 37 2.539 1.563 -1.474 1.00 0.00 H new ATOM 0 HA MET A 37 3.461 0.054 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.757 -0.174 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.419 1.534 -3.263 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.567 1.984 -1.000 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.047 0.378 -0.527 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.120 1.694 -2.058 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.379 0.505 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.521 2.016 -2.770 1.00 0.00 H new ATOM 541 N VAL A 38 3.769 -2.000 -2.158 1.00 0.00 N ATOM 542 CA VAL A 38 3.498 -3.179 -1.345 1.00 0.00 C ATOM 543 C VAL A 38 4.737 -4.058 -1.221 1.00 0.00 C ATOM 544 O VAL A 38 5.623 -4.023 -2.076 1.00 0.00 O ATOM 545 CB VAL A 38 2.347 -4.015 -1.936 1.00 0.00 C ATOM 546 CG1 VAL A 38 2.039 -5.207 -1.042 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.110 -3.153 -2.132 1.00 0.00 C ATOM 0 H VAL A 38 4.299 -2.187 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 38 3.209 -2.822 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 38 2.658 -4.392 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.223 -5.786 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.925 -5.836 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.748 -4.854 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.307 -3.759 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.795 -2.745 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.341 -2.335 -2.815 1.00 0.00 H new ATOM 557 N ARG A 39 4.794 -4.846 -0.153 1.00 0.00 N ATOM 558 CA ARG A 39 5.925 -5.733 0.084 1.00 0.00 C ATOM 559 C ARG A 39 5.461 -7.062 0.676 1.00 0.00 C ATOM 560 O ARG A 39 4.276 -7.249 0.951 1.00 0.00 O ATOM 561 CB ARG A 39 6.934 -5.070 1.022 1.00 0.00 C ATOM 562 CG ARG A 39 6.436 -4.931 2.452 1.00 0.00 C ATOM 563 CD ARG A 39 7.291 -3.955 3.246 1.00 0.00 C ATOM 564 NE ARG A 39 7.086 -4.095 4.685 1.00 0.00 N ATOM 565 CZ ARG A 39 7.522 -5.131 5.393 1.00 0.00 C ATOM 566 NH1 ARG A 39 8.184 -6.113 4.797 1.00 0.00 N ATOM 567 NH2 ARG A 39 7.296 -5.187 6.699 1.00 0.00 N ATOM 0 H ARG A 39 4.069 -4.888 0.563 1.00 0.00 H new ATOM 0 HA ARG A 39 6.405 -5.930 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.855 -5.653 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.182 -4.082 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.401 -4.589 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.447 -5.906 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.343 -4.120 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.053 -2.935 2.943 1.00 0.00 H new ATOM 0 HE ARG A 39 6.580 -3.356 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.359 -6.074 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.518 -6.908 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.787 -4.434 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.632 -5.983 7.241 1.00 0.00 H new ATOM 581 N ASN A 40 6.402 -7.979 0.868 1.00 0.00 N ATOM 582 CA ASN A 40 6.090 -9.290 1.427 1.00 0.00 C ATOM 583 C ASN A 40 6.495 -9.366 2.896 1.00 0.00 C ATOM 584 O ASN A 40 7.674 -9.259 3.232 1.00 0.00 O ATOM 585 CB ASN A 40 6.799 -10.389 0.632 1.00 0.00 C ATOM 586 CG ASN A 40 8.292 -10.417 0.893 1.00 0.00 C ATOM 587 OD1 ASN A 40 9.072 -9.798 0.170 1.00 0.00 O ATOM 588 ND2 ASN A 40 8.698 -11.140 1.932 1.00 0.00 N ATOM 0 H ASN A 40 7.387 -7.839 0.645 1.00 0.00 H new ATOM 0 HA ASN A 40 5.012 -9.439 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.369 -11.357 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.621 -10.236 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.691 -11.197 2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.016 -11.637 2.505 1.00 0.00 H new ATOM 595 N SER A 41 5.509 -9.552 3.767 1.00 0.00 N ATOM 596 CA SER A 41 5.761 -9.640 5.200 1.00 0.00 C ATOM 597 C SER A 41 6.671 -10.822 5.521 1.00 0.00 C ATOM 598 O SER A 41 6.571 -11.882 4.903 1.00 0.00 O ATOM 599 CB SER A 41 4.442 -9.776 5.965 1.00 0.00 C ATOM 600 OG SER A 41 4.667 -9.813 7.364 1.00 0.00 O ATOM 0 H SER A 41 4.528 -9.645 3.505 1.00 0.00 H new ATOM 0 HA SER A 41 6.261 -8.723 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.788 -8.939 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.928 -10.685 5.652 1.00 0.00 H new ATOM 0 HG SER A 41 3.810 -9.898 7.831 1.00 0.00 H new ATOM 606 N SER A 42 7.560 -10.631 6.489 1.00 0.00 N ATOM 607 CA SER A 42 8.492 -11.679 6.890 1.00 0.00 C ATOM 608 C SER A 42 7.752 -12.981 7.180 1.00 0.00 C ATOM 609 O SER A 42 8.308 -14.069 7.028 1.00 0.00 O ATOM 610 CB SER A 42 9.282 -11.242 8.125 1.00 0.00 C ATOM 611 OG SER A 42 8.453 -11.200 9.273 1.00 0.00 O ATOM 0 H SER A 42 7.655 -9.760 7.011 1.00 0.00 H new ATOM 0 HA SER A 42 9.185 -11.851 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.108 -11.932 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.719 -10.258 7.952 1.00 0.00 H new ATOM 0 HG SER A 42 8.982 -10.920 10.049 1.00 0.00 H new ATOM 617 N GLN A 43 6.496 -12.862 7.596 1.00 0.00 N ATOM 618 CA GLN A 43 5.680 -14.029 7.908 1.00 0.00 C ATOM 619 C GLN A 43 4.710 -14.335 6.771 1.00 0.00 C ATOM 620 O GLN A 43 3.789 -13.563 6.503 1.00 0.00 O ATOM 621 CB GLN A 43 4.906 -13.804 9.208 1.00 0.00 C ATOM 622 CG GLN A 43 5.792 -13.443 10.389 1.00 0.00 C ATOM 623 CD GLN A 43 5.013 -13.297 11.681 1.00 0.00 C ATOM 624 OE1 GLN A 43 4.248 -12.346 11.854 1.00 0.00 O ATOM 625 NE2 GLN A 43 5.201 -14.240 12.596 1.00 0.00 N ATOM 0 H GLN A 43 6.021 -11.969 7.725 1.00 0.00 H new ATOM 0 HA GLN A 43 6.346 -14.883 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.178 -13.008 9.054 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.345 -14.707 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.555 -14.212 10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.312 -12.509 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.844 -15.010 12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.702 -14.195 13.485 1.00 0.00 H new ATOM 634 N VAL A 44 4.925 -15.464 6.105 1.00 0.00 N ATOM 635 CA VAL A 44 4.069 -15.873 4.997 1.00 0.00 C ATOM 636 C VAL A 44 2.602 -15.872 5.407 1.00 0.00 C ATOM 637 O VAL A 44 2.237 -16.414 6.449 1.00 0.00 O ATOM 638 CB VAL A 44 4.447 -17.274 4.483 1.00 0.00 C ATOM 639 CG1 VAL A 44 4.262 -18.312 5.579 1.00 0.00 C ATOM 640 CG2 VAL A 44 3.624 -17.631 3.255 1.00 0.00 C ATOM 0 H VAL A 44 5.684 -16.112 6.313 1.00 0.00 H new ATOM 0 HA VAL A 44 4.220 -15.149 4.197 1.00 0.00 H new ATOM 0 HB VAL A 44 5.499 -17.266 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.534 -19.296 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.899 -18.063 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.220 -18.322 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.904 -18.625 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.565 -17.622 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.812 -16.902 2.466 1.00 0.00 H new ATOM 650 N GLY A 45 1.761 -15.258 4.579 1.00 0.00 N ATOM 651 CA GLY A 45 0.341 -15.199 4.873 1.00 0.00 C ATOM 652 C GLY A 45 -0.168 -13.776 4.985 1.00 0.00 C ATOM 653 O GLY A 45 -1.203 -13.433 4.411 1.00 0.00 O ATOM 0 H GLY A 45 2.038 -14.801 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.211 -15.719 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.144 -15.727 5.806 1.00 0.00 H new ATOM 657 N MET A 46 0.557 -12.945 5.726 1.00 0.00 N ATOM 658 CA MET A 46 0.172 -11.551 5.911 1.00 0.00 C ATOM 659 C MET A 46 0.924 -10.646 4.941 1.00 0.00 C ATOM 660 O MET A 46 1.993 -11.003 4.445 1.00 0.00 O ATOM 661 CB MET A 46 0.442 -11.112 7.351 1.00 0.00 C ATOM 662 CG MET A 46 -0.322 -11.922 8.387 1.00 0.00 C ATOM 663 SD MET A 46 -0.589 -11.012 9.921 1.00 0.00 S ATOM 664 CE MET A 46 -2.363 -11.170 10.105 1.00 0.00 C ATOM 0 H MET A 46 1.415 -13.213 6.208 1.00 0.00 H new ATOM 0 HA MET A 46 -0.895 -11.465 5.707 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.510 -11.194 7.553 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.177 -10.060 7.457 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.286 -12.218 7.972 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.227 -12.838 8.603 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.682 -10.657 11.012 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.859 -10.725 9.243 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.629 -12.225 10.172 1.00 0.00 H new ATOM 674 N TYR A 47 0.359 -9.473 4.675 1.00 0.00 N ATOM 675 CA TYR A 47 0.976 -8.517 3.763 1.00 0.00 C ATOM 676 C TYR A 47 0.982 -7.115 4.365 1.00 0.00 C ATOM 677 O TYR A 47 0.136 -6.778 5.193 1.00 0.00 O ATOM 678 CB TYR A 47 0.236 -8.508 2.424 1.00 0.00 C ATOM 679 CG TYR A 47 0.614 -9.654 1.515 1.00 0.00 C ATOM 680 CD1 TYR A 47 0.125 -10.935 1.738 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.460 -9.456 0.429 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.469 -11.985 0.910 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.807 -10.501 -0.405 1.00 0.00 C ATOM 684 CZ TYR A 47 1.310 -11.764 -0.160 1.00 0.00 C ATOM 685 OH TYR A 47 1.653 -12.807 -0.988 1.00 0.00 O ATOM 0 H TYR A 47 -0.525 -9.162 5.078 1.00 0.00 H new ATOM 0 HA TYR A 47 2.008 -8.825 3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.837 -8.543 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.440 -7.567 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.536 -11.113 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.852 -8.469 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.081 -12.975 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.464 -10.330 -1.245 1.00 0.00 H new ATOM 0 HH TYR A 47 2.251 -12.482 -1.693 1.00 0.00 H new ATOM 695 N THR A 48 1.943 -6.300 3.940 1.00 0.00 N ATOM 696 CA THR A 48 2.062 -4.934 4.436 1.00 0.00 C ATOM 697 C THR A 48 2.120 -3.936 3.285 1.00 0.00 C ATOM 698 O THR A 48 3.113 -3.864 2.562 1.00 0.00 O ATOM 699 CB THR A 48 3.316 -4.763 5.314 1.00 0.00 C ATOM 700 OG1 THR A 48 3.292 -5.706 6.391 1.00 0.00 O ATOM 701 CG2 THR A 48 3.395 -3.350 5.872 1.00 0.00 C ATOM 0 H THR A 48 2.650 -6.562 3.253 1.00 0.00 H new ATOM 0 HA THR A 48 1.176 -4.737 5.040 1.00 0.00 H new ATOM 0 HB THR A 48 4.195 -4.943 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.093 -5.592 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.288 -3.252 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.442 -2.636 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.512 -3.148 6.478 1.00 0.00 H new ATOM 709 N VAL A 49 1.049 -3.165 3.122 1.00 0.00 N ATOM 710 CA VAL A 49 0.980 -2.168 2.061 1.00 0.00 C ATOM 711 C VAL A 49 1.437 -0.802 2.559 1.00 0.00 C ATOM 712 O VAL A 49 0.748 -0.155 3.348 1.00 0.00 O ATOM 713 CB VAL A 49 -0.449 -2.046 1.498 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.448 -1.243 0.207 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.055 -3.424 1.279 1.00 0.00 C ATOM 0 H VAL A 49 0.218 -3.212 3.711 1.00 0.00 H new ATOM 0 HA VAL A 49 1.648 -2.503 1.268 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.063 -1.516 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.466 -1.168 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.058 -0.244 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.181 -1.741 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.064 -3.319 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.442 -3.983 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.093 -3.960 2.228 1.00 0.00 H new ATOM 725 N SER A 50 2.603 -0.368 2.093 1.00 0.00 N ATOM 726 CA SER A 50 3.154 0.921 2.493 1.00 0.00 C ATOM 727 C SER A 50 3.008 1.947 1.373 1.00 0.00 C ATOM 728 O SER A 50 3.157 1.622 0.194 1.00 0.00 O ATOM 729 CB SER A 50 4.629 0.773 2.874 1.00 0.00 C ATOM 730 OG SER A 50 4.794 -0.179 3.911 1.00 0.00 O ATOM 0 H SER A 50 3.185 -0.890 1.438 1.00 0.00 H new ATOM 0 HA SER A 50 2.595 1.273 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.205 0.467 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.024 1.737 3.195 1.00 0.00 H new ATOM 0 HG SER A 50 5.745 -0.257 4.135 1.00 0.00 H new ATOM 736 N LEU A 51 2.714 3.186 1.750 1.00 0.00 N ATOM 737 CA LEU A 51 2.546 4.262 0.778 1.00 0.00 C ATOM 738 C LEU A 51 2.958 5.604 1.375 1.00 0.00 C ATOM 739 O LEU A 51 3.074 5.744 2.593 1.00 0.00 O ATOM 740 CB LEU A 51 1.093 4.326 0.304 1.00 0.00 C ATOM 741 CG LEU A 51 0.053 4.665 1.372 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.151 6.170 1.460 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.264 3.963 1.077 1.00 0.00 C ATOM 0 H LEU A 51 2.587 3.471 2.721 1.00 0.00 H new ATOM 0 HA LEU A 51 3.191 4.051 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.024 5.069 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.832 3.363 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 51 0.422 4.312 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.895 6.392 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.792 6.650 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.497 6.547 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.992 4.216 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.638 4.285 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.107 2.884 1.067 1.00 0.00 H new ATOM 755 N PHE A 52 3.174 6.589 0.509 1.00 0.00 N ATOM 756 CA PHE A 52 3.572 7.921 0.952 1.00 0.00 C ATOM 757 C PHE A 52 2.385 8.879 0.926 1.00 0.00 C ATOM 758 O PHE A 52 1.839 9.181 -0.136 1.00 0.00 O ATOM 759 CB PHE A 52 4.696 8.461 0.065 1.00 0.00 C ATOM 760 CG PHE A 52 5.090 9.873 0.390 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.785 10.163 1.552 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.762 10.912 -0.468 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.148 11.462 1.854 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.124 12.212 -0.172 1.00 0.00 C ATOM 765 CZ PHE A 52 5.817 12.488 0.991 1.00 0.00 C ATOM 0 H PHE A 52 3.080 6.491 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 52 3.932 7.844 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.569 7.816 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.381 8.411 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.047 9.365 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.218 10.703 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.690 11.674 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.865 13.012 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.099 13.504 1.225 1.00 0.00 H new ATOM 775 N SER A 53 1.989 9.354 2.102 1.00 0.00 N ATOM 776 CA SER A 53 0.863 10.274 2.217 1.00 0.00 C ATOM 777 C SER A 53 1.242 11.494 3.051 1.00 0.00 C ATOM 778 O SER A 53 1.719 11.366 4.180 1.00 0.00 O ATOM 779 CB SER A 53 -0.340 9.566 2.843 1.00 0.00 C ATOM 780 OG SER A 53 -1.553 10.199 2.474 1.00 0.00 O ATOM 0 H SER A 53 2.431 9.117 2.990 1.00 0.00 H new ATOM 0 HA SER A 53 0.596 10.610 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.359 8.524 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.242 9.566 3.929 1.00 0.00 H new ATOM 0 HG SER A 53 -2.307 9.727 2.885 1.00 0.00 H new ATOM 786 N LYS A 54 1.026 12.678 2.488 1.00 0.00 N ATOM 787 CA LYS A 54 1.342 13.923 3.179 1.00 0.00 C ATOM 788 C LYS A 54 0.223 14.944 2.999 1.00 0.00 C ATOM 789 O LYS A 54 -0.047 15.393 1.887 1.00 0.00 O ATOM 790 CB LYS A 54 2.660 14.498 2.657 1.00 0.00 C ATOM 791 CG LYS A 54 2.953 15.901 3.161 1.00 0.00 C ATOM 792 CD LYS A 54 4.025 16.580 2.325 1.00 0.00 C ATOM 793 CE LYS A 54 3.883 18.094 2.361 1.00 0.00 C ATOM 794 NZ LYS A 54 2.812 18.573 1.443 1.00 0.00 N ATOM 0 H LYS A 54 0.633 12.802 1.555 1.00 0.00 H new ATOM 0 HA LYS A 54 1.443 13.705 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.476 13.838 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.635 14.510 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.040 16.496 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.276 15.855 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.010 16.297 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.959 16.232 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.659 18.414 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.831 18.554 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.960 19.581 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.843 18.027 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.884 18.447 1.896 1.00 0.00 H new ATOM 808 N ALA A 55 -0.424 15.306 4.102 1.00 0.00 N ATOM 809 CA ALA A 55 -1.511 16.277 4.067 1.00 0.00 C ATOM 810 C ALA A 55 -1.088 17.546 3.336 1.00 0.00 C ATOM 811 O ALA A 55 0.089 17.905 3.324 1.00 0.00 O ATOM 812 CB ALA A 55 -1.971 16.605 5.480 1.00 0.00 C ATOM 0 H ALA A 55 -0.214 14.941 5.031 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.344 15.835 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.783 17.331 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.322 15.696 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.138 17.023 6.046 1.00 0.00 H new ATOM 818 N VAL A 56 -2.057 18.225 2.728 1.00 0.00 N ATOM 819 CA VAL A 56 -1.785 19.456 1.997 1.00 0.00 C ATOM 820 C VAL A 56 -0.788 20.333 2.746 1.00 0.00 C ATOM 821 O VAL A 56 0.176 20.828 2.166 1.00 0.00 O ATOM 822 CB VAL A 56 -3.076 20.260 1.752 1.00 0.00 C ATOM 823 CG1 VAL A 56 -2.767 21.557 1.020 1.00 0.00 C ATOM 824 CG2 VAL A 56 -4.083 19.425 0.973 1.00 0.00 C ATOM 0 H VAL A 56 -3.037 17.942 2.728 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.358 19.165 1.037 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.516 20.512 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.691 22.111 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.084 22.159 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.304 21.331 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.989 20.008 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.654 19.141 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.327 18.527 1.540 1.00 0.00 H new ATOM 834 N ASN A 57 -1.029 20.519 4.040 1.00 0.00 N ATOM 835 CA ASN A 57 -0.152 21.336 4.871 1.00 0.00 C ATOM 836 C ASN A 57 0.550 20.485 5.924 1.00 0.00 C ATOM 837 O ASN A 57 0.033 20.290 7.024 1.00 0.00 O ATOM 838 CB ASN A 57 -0.950 22.452 5.548 1.00 0.00 C ATOM 839 CG ASN A 57 -0.149 23.167 6.620 1.00 0.00 C ATOM 840 OD1 ASN A 57 0.059 22.636 7.712 1.00 0.00 O ATOM 841 ND2 ASN A 57 0.303 24.376 6.312 1.00 0.00 N ATOM 0 H ASN A 57 -1.824 20.115 4.535 1.00 0.00 H new ATOM 0 HA ASN A 57 0.606 21.781 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.271 23.173 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.852 22.032 5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.848 24.906 6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.106 24.776 5.395 1.00 0.00 H new ATOM 848 N ASP A 58 1.729 19.980 5.580 1.00 0.00 N ATOM 849 CA ASP A 58 2.503 19.151 6.496 1.00 0.00 C ATOM 850 C ASP A 58 3.998 19.397 6.321 1.00 0.00 C ATOM 851 O ASP A 58 4.595 18.982 5.327 1.00 0.00 O ATOM 852 CB ASP A 58 2.187 17.671 6.269 1.00 0.00 C ATOM 853 CG ASP A 58 2.763 16.783 7.354 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.128 16.663 8.422 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.849 16.207 7.133 1.00 0.00 O ATOM 0 H ASP A 58 2.170 20.130 4.673 1.00 0.00 H new ATOM 0 HA ASP A 58 2.226 19.422 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.106 17.535 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.584 17.362 5.302 1.00 0.00 H new ATOM 860 N LYS A 59 4.598 20.075 7.294 1.00 0.00 N ATOM 861 CA LYS A 59 6.024 20.377 7.249 1.00 0.00 C ATOM 862 C LYS A 59 6.804 19.230 6.615 1.00 0.00 C ATOM 863 O LYS A 59 7.283 19.339 5.485 1.00 0.00 O ATOM 864 CB LYS A 59 6.553 20.650 8.658 1.00 0.00 C ATOM 865 CG LYS A 59 6.023 21.936 9.269 1.00 0.00 C ATOM 866 CD LYS A 59 6.985 22.499 10.303 1.00 0.00 C ATOM 867 CE LYS A 59 6.723 21.915 11.683 1.00 0.00 C ATOM 868 NZ LYS A 59 7.787 22.292 12.655 1.00 0.00 N ATOM 0 H LYS A 59 4.119 20.426 8.123 1.00 0.00 H new ATOM 0 HA LYS A 59 6.162 21.268 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.287 19.814 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.642 20.695 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.860 22.673 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.056 21.747 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.010 22.282 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.886 23.584 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.757 22.264 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.663 20.829 11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.573 21.875 13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.705 21.937 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.827 23.328 12.742 1.00 0.00 H new ATOM 882 N LYS A 60 6.927 18.128 7.348 1.00 0.00 N ATOM 883 CA LYS A 60 7.647 16.959 6.857 1.00 0.00 C ATOM 884 C LYS A 60 6.711 15.762 6.722 1.00 0.00 C ATOM 885 O LYS A 60 6.264 15.196 7.718 1.00 0.00 O ATOM 886 CB LYS A 60 8.802 16.613 7.798 1.00 0.00 C ATOM 887 CG LYS A 60 10.070 17.402 7.522 1.00 0.00 C ATOM 888 CD LYS A 60 9.991 18.805 8.101 1.00 0.00 C ATOM 889 CE LYS A 60 10.339 18.816 9.582 1.00 0.00 C ATOM 890 NZ LYS A 60 10.498 20.202 10.104 1.00 0.00 N ATOM 0 H LYS A 60 6.537 18.020 8.284 1.00 0.00 H new ATOM 0 HA LYS A 60 8.049 17.198 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.488 16.794 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.021 15.549 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.925 16.879 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.237 17.460 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.673 19.462 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.986 19.203 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.557 18.304 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.262 18.259 9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.735 20.167 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.261 20.682 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.609 20.726 9.974 1.00 0.00 H new ATOM 904 N GLY A 61 6.421 15.380 5.481 1.00 0.00 N ATOM 905 CA GLY A 61 5.541 14.252 5.240 1.00 0.00 C ATOM 906 C GLY A 61 6.086 12.958 5.813 1.00 0.00 C ATOM 907 O GLY A 61 7.250 12.620 5.606 1.00 0.00 O ATOM 0 H GLY A 61 6.780 15.832 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.564 14.457 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.390 14.135 4.167 1.00 0.00 H new ATOM 911 N THR A 62 5.240 12.234 6.540 1.00 0.00 N ATOM 912 CA THR A 62 5.644 10.973 7.149 1.00 0.00 C ATOM 913 C THR A 62 5.027 9.787 6.416 1.00 0.00 C ATOM 914 O THR A 62 3.847 9.806 6.064 1.00 0.00 O ATOM 915 CB THR A 62 5.239 10.910 8.633 1.00 0.00 C ATOM 916 OG1 THR A 62 5.779 12.036 9.336 1.00 0.00 O ATOM 917 CG2 THR A 62 5.732 9.622 9.275 1.00 0.00 C ATOM 0 H THR A 62 4.272 12.499 6.721 1.00 0.00 H new ATOM 0 HA THR A 62 6.730 10.920 7.074 1.00 0.00 H new ATOM 0 HB THR A 62 4.151 10.933 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.516 11.990 10.279 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.434 9.601 10.323 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.297 8.767 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.819 9.574 9.206 1.00 0.00 H new ATOM 925 N VAL A 63 5.832 8.753 6.189 1.00 0.00 N ATOM 926 CA VAL A 63 5.364 7.557 5.499 1.00 0.00 C ATOM 927 C VAL A 63 4.497 6.699 6.414 1.00 0.00 C ATOM 928 O VAL A 63 4.849 6.449 7.566 1.00 0.00 O ATOM 929 CB VAL A 63 6.542 6.710 4.984 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.035 5.449 4.300 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.412 7.524 4.039 1.00 0.00 C ATOM 0 H VAL A 63 6.811 8.720 6.473 1.00 0.00 H new ATOM 0 HA VAL A 63 4.769 7.893 4.650 1.00 0.00 H new ATOM 0 HB VAL A 63 7.152 6.413 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.882 4.863 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.458 4.857 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.401 5.722 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.239 6.909 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.815 7.854 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.806 8.394 4.565 1.00 0.00 H new ATOM 941 N LYS A 64 3.361 6.250 5.892 1.00 0.00 N ATOM 942 CA LYS A 64 2.442 5.418 6.659 1.00 0.00 C ATOM 943 C LYS A 64 2.617 3.944 6.305 1.00 0.00 C ATOM 944 O LYS A 64 3.158 3.609 5.251 1.00 0.00 O ATOM 945 CB LYS A 64 0.996 5.846 6.401 1.00 0.00 C ATOM 946 CG LYS A 64 0.523 6.968 7.310 1.00 0.00 C ATOM 947 CD LYS A 64 0.937 8.330 6.778 1.00 0.00 C ATOM 948 CE LYS A 64 0.876 9.394 7.863 1.00 0.00 C ATOM 949 NZ LYS A 64 -0.513 9.888 8.076 1.00 0.00 N ATOM 0 H LYS A 64 3.054 6.449 4.940 1.00 0.00 H new ATOM 0 HA LYS A 64 2.670 5.550 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.900 6.165 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.342 4.984 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.562 6.928 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.935 6.826 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.950 8.273 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.284 8.613 5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.263 8.984 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.521 10.229 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.513 10.612 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.874 10.302 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.123 9.096 8.361 1.00 0.00 H new ATOM 963 N HIS A 65 2.155 3.068 7.192 1.00 0.00 N ATOM 964 CA HIS A 65 2.259 1.630 6.972 1.00 0.00 C ATOM 965 C HIS A 65 0.950 0.930 7.325 1.00 0.00 C ATOM 966 O HIS A 65 0.290 1.284 8.302 1.00 0.00 O ATOM 967 CB HIS A 65 3.403 1.047 7.802 1.00 0.00 C ATOM 968 CG HIS A 65 3.582 1.717 9.129 1.00 0.00 C ATOM 969 ND1 HIS A 65 4.812 2.110 9.614 1.00 0.00 N ATOM 970 CD2 HIS A 65 2.678 2.066 10.074 1.00 0.00 C ATOM 971 CE1 HIS A 65 4.656 2.669 10.801 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.371 2.655 11.103 1.00 0.00 N ATOM 0 H HIS A 65 1.705 3.329 8.069 1.00 0.00 H new ATOM 0 HA HIS A 65 2.466 1.463 5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.220 -0.015 7.962 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.330 1.128 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.610 1.910 10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.446 3.069 11.419 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.960 3.022 11.961 1.00 0.00 H new ATOM 981 N TYR A 66 0.581 -0.062 6.524 1.00 0.00 N ATOM 982 CA TYR A 66 -0.650 -0.809 6.749 1.00 0.00 C ATOM 983 C TYR A 66 -0.391 -2.313 6.708 1.00 0.00 C ATOM 984 O TYR A 66 0.362 -2.802 5.866 1.00 0.00 O ATOM 985 CB TYR A 66 -1.699 -0.433 5.703 1.00 0.00 C ATOM 986 CG TYR A 66 -2.012 1.046 5.663 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.429 1.718 6.805 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.890 1.771 4.483 1.00 0.00 C ATOM 989 CE1 TYR A 66 -2.717 3.069 6.774 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.173 3.122 4.443 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.587 3.766 5.590 1.00 0.00 C ATOM 992 OH TYR A 66 -2.872 5.112 5.554 1.00 0.00 O ATOM 0 H TYR A 66 1.117 -0.368 5.712 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.025 -0.550 7.739 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.349 -0.748 4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.617 -0.985 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.530 1.175 7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.568 1.269 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.042 3.576 7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.071 3.671 3.519 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.729 5.453 4.646 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.022 -3.041 7.625 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.861 -4.489 7.694 1.00 0.00 C ATOM 1004 C HIS A 67 -2.191 -5.195 7.444 1.00 0.00 C ATOM 1005 O HIS A 67 -3.041 -5.273 8.331 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.302 -4.898 9.057 1.00 0.00 C ATOM 1007 CG HIS A 67 1.112 -4.457 9.280 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.448 -3.180 9.677 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.279 -5.132 9.161 1.00 0.00 C ATOM 1010 CE1 HIS A 67 2.761 -3.088 9.792 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.289 -4.260 9.485 1.00 0.00 N ATOM 0 H HIS A 67 -1.649 -2.652 8.330 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.158 -4.789 6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.933 -4.478 9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.355 -5.983 9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.394 -6.165 8.866 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.309 -2.205 10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.285 -4.481 9.488 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.364 -5.709 6.229 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.589 -6.409 5.863 1.00 0.00 C ATOM 1022 C VAL A 68 -4.007 -7.391 6.951 1.00 0.00 C ATOM 1023 O VAL A 68 -3.255 -8.299 7.305 1.00 0.00 O ATOM 1024 CB VAL A 68 -3.424 -7.170 4.534 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.701 -7.919 4.186 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -3.035 -6.215 3.417 1.00 0.00 C ATOM 0 H VAL A 68 -1.671 -5.653 5.483 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.364 -5.652 5.745 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.623 -7.900 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.566 -8.451 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.931 -8.634 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.523 -7.210 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.923 -6.771 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.811 -5.459 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.091 -5.729 3.666 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.213 -7.202 7.479 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.733 -8.074 8.527 1.00 0.00 C ATOM 1038 C HIS A 69 -6.637 -9.152 7.939 1.00 0.00 C ATOM 1039 O HIS A 69 -7.196 -8.986 6.854 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.503 -7.255 9.564 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.668 -6.219 10.252 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.556 -6.530 11.006 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.786 -4.872 10.294 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.027 -5.418 11.485 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.755 -4.398 11.067 1.00 0.00 N ATOM 0 H HIS A 69 -5.847 -6.454 7.199 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.888 -8.561 9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.345 -6.765 9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.918 -7.930 10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.549 -4.280 9.810 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.149 -5.354 12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.580 -3.417 11.284 1.00 0.00 H new ATOM 1054 N THR A 70 -6.777 -10.259 8.661 1.00 0.00 N ATOM 1055 CA THR A 70 -7.611 -11.365 8.210 1.00 0.00 C ATOM 1056 C THR A 70 -8.694 -11.690 9.232 1.00 0.00 C ATOM 1057 O THR A 70 -8.423 -11.782 10.430 1.00 0.00 O ATOM 1058 CB THR A 70 -6.773 -12.631 7.948 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.651 -12.313 7.117 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.614 -13.709 7.281 1.00 0.00 C ATOM 0 H THR A 70 -6.323 -10.413 9.561 1.00 0.00 H new ATOM 0 HA THR A 70 -8.078 -11.048 7.278 1.00 0.00 H new ATOM 0 HB THR A 70 -6.419 -13.010 8.907 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.123 -13.123 6.957 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.001 -14.593 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.451 -13.970 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.994 -13.337 6.329 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.921 -11.865 8.753 1.00 0.00 N ATOM 1069 CA ASN A 71 -11.045 -12.180 9.627 1.00 0.00 C ATOM 1070 C ASN A 71 -11.274 -13.687 9.698 1.00 0.00 C ATOM 1071 O ASN A 71 -10.511 -14.468 9.130 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.315 -11.485 9.130 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.970 -12.228 7.983 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.392 -13.156 7.419 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.184 -11.821 7.631 1.00 0.00 N ATOM 0 H ASN A 71 -10.162 -11.794 7.765 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.807 -11.818 10.627 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.023 -11.397 9.954 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.070 -10.472 8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.675 -12.283 6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.626 -11.047 8.127 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.329 -14.088 10.400 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.658 -15.500 10.545 1.00 0.00 C ATOM 1084 C ALA A 72 -12.849 -16.160 9.183 1.00 0.00 C ATOM 1085 O ALA A 72 -12.491 -17.322 8.992 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.910 -15.666 11.393 1.00 0.00 C ATOM 0 H ALA A 72 -12.970 -13.454 10.877 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.825 -15.993 11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.144 -16.726 11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.740 -15.237 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.744 -15.154 10.914 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.415 -15.413 8.241 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.654 -15.928 6.898 1.00 0.00 C ATOM 1094 C GLU A 73 -12.426 -15.733 6.014 1.00 0.00 C ATOM 1095 O GLU A 73 -12.545 -15.519 4.808 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.865 -15.234 6.270 1.00 0.00 C ATOM 1097 CG GLU A 73 -16.198 -15.788 6.744 1.00 0.00 C ATOM 1098 CD GLU A 73 -17.381 -15.093 6.100 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.490 -13.857 6.241 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -18.197 -15.784 5.456 1.00 0.00 O ATOM 0 H GLU A 73 -13.717 -14.449 8.383 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.857 -16.996 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.822 -14.169 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.806 -15.330 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.243 -16.854 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.266 -15.684 7.827 1.00 0.00 H new ATOM 1107 N ASN A 74 -11.248 -15.806 6.623 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.997 -15.636 5.892 1.00 0.00 C ATOM 1109 C ASN A 74 -10.126 -14.536 4.842 1.00 0.00 C ATOM 1110 O ASN A 74 -9.703 -14.703 3.698 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.590 -16.951 5.224 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.100 -17.022 4.947 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -7.482 -16.031 4.557 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.517 -18.198 5.149 1.00 0.00 N ATOM 0 H ASN A 74 -11.133 -15.982 7.621 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.225 -15.345 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.878 -17.785 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.137 -17.064 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.517 -18.307 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.069 -18.992 5.473 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.712 -13.412 5.240 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.896 -12.284 4.335 1.00 0.00 C ATOM 1123 C LYS A 75 -9.815 -11.230 4.553 1.00 0.00 C ATOM 1124 O LYS A 75 -9.633 -10.733 5.665 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.279 -11.660 4.539 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.396 -12.421 3.846 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.591 -11.524 3.568 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.877 -12.329 3.452 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.947 -13.079 2.167 1.00 0.00 N ATOM 0 H LYS A 75 -11.068 -13.258 6.184 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.818 -12.654 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.492 -11.610 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.264 -10.635 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.027 -12.838 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.707 -13.260 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.691 -10.790 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.424 -10.969 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.944 -13.029 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.733 -11.659 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.837 -13.615 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.909 -12.410 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.144 -13.737 2.105 1.00 0.00 H new ATOM 1143 N LEU A 76 -9.100 -10.893 3.485 1.00 0.00 N ATOM 1144 CA LEU A 76 -8.037 -9.898 3.559 1.00 0.00 C ATOM 1145 C LEU A 76 -8.599 -8.488 3.409 1.00 0.00 C ATOM 1146 O LEU A 76 -9.499 -8.250 2.601 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.990 -10.158 2.475 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.414 -11.574 2.425 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.892 -11.889 1.032 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.309 -11.737 3.460 1.00 0.00 C ATOM 0 H LEU A 76 -9.238 -11.295 2.558 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.566 -9.980 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.436 -9.934 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.167 -9.457 2.617 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.212 -12.279 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.486 -12.900 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.707 -11.813 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.108 -11.179 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.911 -12.750 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.511 -11.023 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.713 -11.554 4.456 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.065 -7.556 4.190 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.514 -6.170 4.145 1.00 0.00 C ATOM 1164 C TYR A 77 -7.609 -5.276 4.988 1.00 0.00 C ATOM 1165 O TYR A 77 -6.917 -5.747 5.891 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.958 -6.063 4.639 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.201 -6.765 5.956 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.499 -8.121 5.999 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.133 -6.071 7.158 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.722 -8.767 7.200 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.353 -6.708 8.364 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.647 -8.056 8.379 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.868 -8.694 9.578 1.00 0.00 O ATOM 0 H TYR A 77 -7.320 -7.736 4.863 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.465 -5.833 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.220 -5.010 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.623 -6.483 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.557 -8.681 5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.904 -5.016 7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.953 -9.822 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.295 -6.154 9.289 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.777 -8.051 10.312 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.621 -3.982 4.685 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.801 -3.020 5.414 1.00 0.00 C ATOM 1185 C LEU A 78 -7.605 -2.353 6.527 1.00 0.00 C ATOM 1186 O LEU A 78 -7.158 -2.283 7.671 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.255 -1.958 4.458 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.262 -2.450 3.404 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -5.013 -1.372 2.361 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.956 -2.875 4.058 1.00 0.00 C ATOM 0 H LEU A 78 -8.188 -3.576 3.941 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.967 -3.558 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.097 -1.492 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.771 -1.180 5.049 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.693 -3.317 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.304 -1.740 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.952 -1.117 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.604 -0.485 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.262 -3.222 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.520 -2.026 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.149 -3.682 4.765 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.793 -1.869 6.182 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.661 -1.212 7.153 1.00 0.00 C ATOM 1204 C ALA A 79 -10.622 -2.209 7.792 1.00 0.00 C ATOM 1205 O ALA A 79 -11.318 -2.947 7.096 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.433 -0.082 6.490 1.00 0.00 C ATOM 0 H ALA A 79 -9.177 -1.919 5.238 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.034 -0.795 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.077 0.400 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.733 0.649 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.044 -0.484 5.682 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.653 -2.225 9.121 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.528 -3.133 9.853 1.00 0.00 C ATOM 1214 C GLU A 80 -12.925 -3.152 9.241 1.00 0.00 C ATOM 1215 O GLU A 80 -13.463 -4.214 8.928 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.610 -2.723 11.325 1.00 0.00 C ATOM 1217 CG GLU A 80 -10.421 -3.182 12.152 1.00 0.00 C ATOM 1218 CD GLU A 80 -10.376 -2.531 13.521 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -10.081 -1.320 13.594 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -10.637 -3.235 14.519 1.00 0.00 O ATOM 0 H GLU A 80 -10.083 -1.620 9.712 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.106 -4.136 9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.688 -1.638 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.523 -3.133 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.462 -4.265 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.500 -2.954 11.615 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.509 -1.970 9.073 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.845 -1.851 8.500 1.00 0.00 C ATOM 1229 C ASN A 81 -14.792 -1.935 6.978 1.00 0.00 C ATOM 1230 O ASN A 81 -15.311 -1.064 6.279 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.490 -0.531 8.928 1.00 0.00 C ATOM 1232 CG ASN A 81 -15.230 -0.205 10.386 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.287 -1.082 11.248 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -14.943 1.060 10.667 1.00 0.00 N ATOM 0 H ASN A 81 -13.078 -1.081 9.326 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.449 -2.679 8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.106 0.276 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.565 -0.583 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.759 1.339 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.907 1.753 9.919 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.164 -2.990 6.471 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.042 -3.187 5.032 1.00 0.00 C ATOM 1243 C TYR A 82 -13.713 -4.641 4.707 1.00 0.00 C ATOM 1244 O TYR A 82 -13.259 -5.394 5.570 1.00 0.00 O ATOM 1245 CB TYR A 82 -12.963 -2.267 4.458 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.484 -0.911 4.038 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.025 -0.715 2.773 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.434 0.173 4.905 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -14.500 0.522 2.384 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -13.908 1.413 4.525 1.00 0.00 C ATOM 1251 CZ TYR A 82 -14.441 1.584 3.264 1.00 0.00 C ATOM 1252 OH TYR A 82 -14.913 2.818 2.882 1.00 0.00 O ATOM 0 H TYR A 82 -13.732 -3.722 7.035 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.000 -2.939 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.179 -2.131 5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.503 -2.753 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.075 -1.544 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.017 0.044 5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.915 0.658 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.862 2.245 5.212 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.798 3.454 3.618 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.944 -5.030 3.457 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.671 -6.393 3.017 1.00 0.00 C ATOM 1264 C CYS A 83 -13.345 -6.428 1.528 1.00 0.00 C ATOM 1265 O CYS A 83 -13.991 -5.755 0.724 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.871 -7.294 3.311 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.327 -6.939 2.298 1.00 0.00 S ATOM 0 H CYS A 83 -14.320 -4.420 2.731 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.806 -6.761 3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.578 -8.333 3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -15.140 -7.192 4.362 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.964 -6.299 1.226 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.339 -7.217 1.167 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.924 -7.338 -0.226 1.00 0.00 C ATOM 1275 C PHE A 84 -11.758 -8.804 -0.618 1.00 0.00 C ATOM 1276 O PHE A 84 -12.035 -9.705 0.174 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.612 -6.586 -0.457 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.704 -5.116 -0.163 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.721 -4.657 1.144 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.774 -4.192 -1.193 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.807 -3.306 1.418 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.859 -2.839 -0.925 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.876 -2.395 0.382 1.00 0.00 C ATOM 0 H PHE A 84 -11.796 -7.782 1.819 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.702 -6.898 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.835 -7.026 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.302 -6.723 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.666 -5.364 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.762 -4.533 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.820 -2.962 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.912 -2.129 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.943 -1.338 0.594 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.306 -9.033 -1.846 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.103 -10.389 -2.345 1.00 0.00 C ATOM 1295 C ASP A 85 -9.674 -10.856 -2.083 1.00 0.00 C ATOM 1296 O ASP A 85 -9.455 -11.923 -1.512 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.409 -10.455 -3.842 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.460 -11.880 -4.359 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.650 -12.709 -3.896 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -12.310 -12.165 -5.228 1.00 0.00 O ATOM 0 H ASP A 85 -11.073 -8.298 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.786 -11.052 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.364 -9.966 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.648 -9.899 -4.390 1.00 0.00 H new ATOM 1305 N SER A 86 -8.707 -10.048 -2.507 1.00 0.00 N ATOM 1306 CA SER A 86 -7.299 -10.381 -2.323 1.00 0.00 C ATOM 1307 C SER A 86 -6.446 -9.117 -2.258 1.00 0.00 C ATOM 1308 O SER A 86 -6.967 -8.002 -2.289 1.00 0.00 O ATOM 1309 CB SER A 86 -6.813 -11.281 -3.460 1.00 0.00 C ATOM 1310 OG SER A 86 -7.867 -12.086 -3.960 1.00 0.00 O ATOM 0 H SER A 86 -8.873 -9.159 -2.980 1.00 0.00 H new ATOM 0 HA SER A 86 -7.198 -10.915 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.406 -10.668 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.003 -11.917 -3.103 1.00 0.00 H new ATOM 0 HG SER A 86 -7.531 -12.651 -4.687 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.134 -9.301 -2.168 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.208 -8.178 -2.100 1.00 0.00 C ATOM 1318 C ILE A 87 -4.316 -7.300 -3.343 1.00 0.00 C ATOM 1319 O ILE A 87 -4.606 -6.106 -3.267 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.752 -8.655 -1.948 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.381 -8.769 -0.468 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.805 -7.705 -2.666 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.886 -10.035 0.186 1.00 0.00 C ATOM 0 H ILE A 87 -4.688 -10.218 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.484 -7.596 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.659 -9.641 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.296 -8.727 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.783 -7.908 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.780 -8.056 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.058 -7.671 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.898 -6.707 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.586 -10.048 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.973 -10.070 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.463 -10.901 -0.323 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.080 -7.906 -4.516 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.148 -7.198 -5.799 1.00 0.00 C ATOM 1337 C PRO A 88 -5.575 -6.813 -6.174 1.00 0.00 C ATOM 1338 O PRO A 88 -5.797 -5.839 -6.895 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.591 -8.218 -6.795 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.847 -9.543 -6.165 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.729 -9.326 -4.682 1.00 0.00 C ATOM 0 HA PRO A 88 -3.597 -6.258 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.087 -8.138 -7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.526 -8.061 -6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.837 -9.915 -6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.126 -10.285 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.406 -9.975 -4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.721 -9.535 -4.324 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.540 -7.581 -5.679 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.946 -7.319 -5.960 1.00 0.00 C ATOM 1351 C LYS A 89 -8.431 -6.084 -5.208 1.00 0.00 C ATOM 1352 O LYS A 89 -9.492 -5.536 -5.511 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.799 -8.531 -5.575 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.979 -9.530 -6.705 1.00 0.00 C ATOM 1355 CD LYS A 89 -7.657 -10.162 -7.107 1.00 0.00 C ATOM 1356 CE LYS A 89 -7.663 -10.584 -8.569 1.00 0.00 C ATOM 1357 NZ LYS A 89 -6.639 -11.629 -8.848 1.00 0.00 N ATOM 0 H LYS A 89 -6.373 -8.390 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.048 -7.135 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.338 -9.035 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.779 -8.186 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.676 -10.309 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.421 -9.030 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.847 -9.454 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.461 -11.030 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.650 -10.963 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.476 -9.714 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.674 -11.890 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.694 -11.259 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.832 -12.469 -8.266 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.648 -5.650 -4.226 1.00 0.00 N ATOM 1372 CA LEU A 90 -7.996 -4.478 -3.431 1.00 0.00 C ATOM 1373 C LEU A 90 -7.401 -3.211 -4.038 1.00 0.00 C ATOM 1374 O LEU A 90 -8.094 -2.207 -4.205 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.503 -4.648 -1.993 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.449 -3.375 -1.146 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.606 -3.709 0.329 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.146 -2.628 -1.390 1.00 0.00 C ATOM 0 H LEU A 90 -6.768 -6.092 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.082 -4.382 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.150 -5.367 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.504 -5.084 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.276 -2.729 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.565 -2.792 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.565 -4.201 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.800 -4.374 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.124 -1.725 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.305 -3.267 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.074 -2.356 -2.443 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.115 -3.266 -4.366 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.430 -2.124 -4.958 1.00 0.00 C ATOM 1392 C ILE A 91 -6.167 -1.620 -6.194 1.00 0.00 C ATOM 1393 O ILE A 91 -6.254 -0.413 -6.429 1.00 0.00 O ATOM 1394 CB ILE A 91 -3.981 -2.477 -5.347 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.105 -2.581 -4.096 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.422 -1.438 -6.307 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.208 -3.918 -3.397 1.00 0.00 C ATOM 0 H ILE A 91 -5.527 -4.088 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.415 -1.339 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.981 -3.444 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.066 -2.404 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.387 -1.792 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.398 -1.701 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.034 -1.409 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.432 -0.458 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.561 -3.921 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.239 -4.089 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.898 -4.710 -4.079 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.698 -2.550 -6.980 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.431 -2.199 -8.192 1.00 0.00 C ATOM 1411 C HIS A 92 -8.617 -1.296 -7.867 1.00 0.00 C ATOM 1412 O HIS A 92 -8.948 -0.390 -8.632 1.00 0.00 O ATOM 1413 CB HIS A 92 -7.918 -3.462 -8.903 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.895 -3.192 -10.004 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -10.160 -3.741 -10.040 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -8.790 -2.422 -11.113 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -10.788 -3.323 -11.123 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -9.980 -2.520 -11.791 1.00 0.00 N ATOM 0 H HIS A 92 -6.635 -3.552 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.754 -1.657 -8.852 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.058 -3.992 -9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.381 -4.124 -8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.930 -1.839 -11.409 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.793 -3.592 -11.414 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.203 -2.049 -12.668 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.254 -1.551 -6.728 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.406 -0.763 -6.304 1.00 0.00 C ATOM 1429 C TYR A 93 -9.966 0.595 -5.763 1.00 0.00 C ATOM 1430 O TYR A 93 -10.514 1.632 -6.139 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.200 -1.517 -5.237 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.636 -1.059 -5.115 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.477 -1.040 -6.222 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.152 -0.643 -3.894 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.789 -0.621 -6.115 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.463 -0.224 -3.777 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.278 -0.215 -4.891 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.584 0.202 -4.779 1.00 0.00 O ATOM 0 H TYR A 93 -8.992 -2.296 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.043 -0.599 -7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.185 -2.582 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.705 -1.395 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.098 -1.358 -7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.517 -0.647 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.428 -0.611 -6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.848 0.095 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.769 0.453 -3.850 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.975 0.579 -4.877 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.462 1.808 -4.283 1.00 0.00 C ATOM 1450 C HIS A 94 -8.120 2.831 -5.363 1.00 0.00 C ATOM 1451 O HIS A 94 -8.530 3.989 -5.285 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.224 1.511 -3.437 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.544 0.974 -2.076 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -7.184 1.614 -0.909 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.196 -0.151 -1.700 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -7.599 0.905 0.125 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.217 -0.171 -0.327 1.00 0.00 N ATOM 0 H HIS A 94 -8.512 -0.271 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.239 2.226 -3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.598 0.792 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.639 2.425 -3.330 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.621 -0.895 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.457 1.162 1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.641 -0.898 0.249 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.368 2.396 -6.368 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.971 3.275 -7.461 1.00 0.00 C ATOM 1468 C GLN A 95 -8.165 4.067 -7.984 1.00 0.00 C ATOM 1469 O GLN A 95 -8.016 5.194 -8.457 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.348 2.461 -8.597 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.853 2.238 -8.436 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.042 3.488 -8.711 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.276 4.189 -9.696 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -3.082 3.776 -7.840 1.00 0.00 N ATOM 0 H GLN A 95 -7.021 1.440 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.231 3.978 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.847 1.494 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.531 2.972 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.648 1.893 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.533 1.446 -9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.922 3.167 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.504 4.606 -7.974 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.349 3.471 -7.895 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.570 4.122 -8.357 1.00 0.00 C ATOM 1485 C HIS A 96 -11.115 5.072 -7.295 1.00 0.00 C ATOM 1486 O HIS A 96 -11.330 6.255 -7.558 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.626 3.076 -8.714 1.00 0.00 C ATOM 1488 CG HIS A 96 -11.409 2.436 -10.050 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -12.404 2.306 -10.994 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.299 1.887 -10.599 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -11.918 1.704 -12.065 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.641 1.440 -11.851 1.00 0.00 N ATOM 0 H HIS A 96 -9.489 2.538 -7.507 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.329 4.702 -9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.632 2.302 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.609 3.546 -8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.325 1.814 -10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.470 1.468 -12.963 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.012 0.979 -12.509 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.339 4.545 -6.096 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.861 5.347 -4.995 1.00 0.00 C ATOM 1503 C ASN A 97 -11.069 5.095 -3.715 1.00 0.00 C ATOM 1504 O ASN A 97 -10.554 3.999 -3.498 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.340 5.031 -4.763 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.610 3.540 -4.703 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -13.444 2.909 -3.659 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -14.029 2.970 -5.827 1.00 0.00 N ATOM 0 H ASN A 97 -11.168 3.567 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.759 6.398 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.666 5.494 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.933 5.473 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.227 1.970 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.153 3.533 -6.669 1.00 0.00 H new ATOM 1515 N SER A 98 -10.977 6.118 -2.872 1.00 0.00 N ATOM 1516 CA SER A 98 -10.245 6.009 -1.615 1.00 0.00 C ATOM 1517 C SER A 98 -11.105 5.348 -0.542 1.00 0.00 C ATOM 1518 O SER A 98 -12.309 5.585 -0.463 1.00 0.00 O ATOM 1519 CB SER A 98 -9.793 7.392 -1.142 1.00 0.00 C ATOM 1520 OG SER A 98 -9.526 7.393 0.249 1.00 0.00 O ATOM 0 H SER A 98 -11.400 7.032 -3.036 1.00 0.00 H new ATOM 0 HA SER A 98 -9.367 5.387 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.898 7.692 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.565 8.127 -1.368 1.00 0.00 H new ATOM 0 HG SER A 98 -8.957 6.627 0.473 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.474 4.518 0.283 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.180 3.824 1.353 1.00 0.00 C ATOM 1528 C ALA A 99 -11.503 4.772 2.503 1.00 0.00 C ATOM 1529 O ALA A 99 -11.235 5.970 2.426 1.00 0.00 O ATOM 1530 CB ALA A 99 -10.354 2.647 1.853 1.00 0.00 C ATOM 0 H ALA A 99 -9.477 4.310 0.231 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.121 3.449 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.893 2.138 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.178 1.951 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.398 3.008 2.233 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.082 4.227 3.568 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.434 5.039 4.719 1.00 0.00 C ATOM 1538 C GLY A 100 -11.423 6.137 4.983 1.00 0.00 C ATOM 1539 O GLY A 100 -11.773 7.317 5.017 1.00 0.00 O ATOM 0 H GLY A 100 -12.314 3.238 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.416 5.484 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.512 4.401 5.600 1.00 0.00 H new ATOM 1543 N MET A 101 -10.166 5.750 5.172 1.00 0.00 N ATOM 1544 CA MET A 101 -9.102 6.713 5.435 1.00 0.00 C ATOM 1545 C MET A 101 -7.938 6.514 4.469 1.00 0.00 C ATOM 1546 O MET A 101 -7.218 7.460 4.147 1.00 0.00 O ATOM 1547 CB MET A 101 -8.610 6.580 6.877 1.00 0.00 C ATOM 1548 CG MET A 101 -7.932 5.250 7.168 1.00 0.00 C ATOM 1549 SD MET A 101 -9.093 3.984 7.716 1.00 0.00 S ATOM 1550 CE MET A 101 -9.249 4.397 9.452 1.00 0.00 C ATOM 0 H MET A 101 -9.859 4.778 5.148 1.00 0.00 H new ATOM 0 HA MET A 101 -9.507 7.714 5.287 1.00 0.00 H new ATOM 0 HB2 MET A 101 -7.911 7.389 7.090 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.456 6.703 7.554 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.420 4.904 6.270 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.170 5.395 7.934 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.937 3.701 9.931 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.272 4.330 9.931 1.00 0.00 H new ATOM 0 HE3 MET A 101 -9.633 5.412 9.551 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.761 5.280 4.008 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.685 4.959 3.078 1.00 0.00 C ATOM 1562 C ILE A 102 -6.684 5.914 1.889 1.00 0.00 C ATOM 1563 O ILE A 102 -7.507 5.795 0.982 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.801 3.513 2.561 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.838 2.530 3.733 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.644 3.190 1.628 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -5.538 2.460 4.504 1.00 0.00 C ATOM 0 H ILE A 102 -8.349 4.486 4.263 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.750 5.066 3.628 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.731 3.417 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.639 2.818 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.082 1.537 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.740 2.165 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.660 3.873 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.702 3.301 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.637 1.744 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.736 2.142 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.303 3.443 4.911 1.00 0.00 H new ATOM 1579 N THR A 103 -5.751 6.862 1.900 1.00 0.00 N ATOM 1580 CA THR A 103 -5.641 7.837 0.823 1.00 0.00 C ATOM 1581 C THR A 103 -5.825 7.176 -0.538 1.00 0.00 C ATOM 1582 O THR A 103 -5.713 5.957 -0.668 1.00 0.00 O ATOM 1583 CB THR A 103 -4.279 8.555 0.852 1.00 0.00 C ATOM 1584 OG1 THR A 103 -4.342 9.758 0.077 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.180 7.654 0.309 1.00 0.00 C ATOM 0 H THR A 103 -5.061 6.974 2.643 1.00 0.00 H new ATOM 0 HA THR A 103 -6.433 8.570 0.978 1.00 0.00 H new ATOM 0 HB THR A 103 -4.046 8.802 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.472 10.209 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.227 8.183 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.114 6.753 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.410 7.380 -0.721 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.107 7.988 -1.553 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.307 7.481 -2.904 1.00 0.00 C ATOM 1595 C ARG A 104 -4.969 7.224 -3.592 1.00 0.00 C ATOM 1596 O ARG A 104 -4.320 8.151 -4.078 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.133 8.472 -3.727 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.830 7.841 -4.921 1.00 0.00 C ATOM 1599 CD ARG A 104 -9.051 8.643 -5.342 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.743 10.060 -5.511 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.226 10.573 -6.622 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -7.960 9.788 -7.656 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -7.972 11.873 -6.700 1.00 0.00 N ATOM 0 H ARG A 104 -6.202 9.000 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.848 6.537 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.881 8.932 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.481 9.271 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.133 7.773 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.130 6.823 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.443 8.243 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.835 8.529 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.935 10.691 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.152 8.788 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.563 10.184 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.174 12.481 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.575 12.265 -7.554 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.563 5.959 -3.628 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.302 5.579 -4.255 1.00 0.00 C ATOM 1619 C LEU A 105 -3.047 6.406 -5.511 1.00 0.00 C ATOM 1620 O LEU A 105 -3.800 6.329 -6.482 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.312 4.090 -4.605 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.740 3.140 -3.486 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.486 1.696 -3.887 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.009 3.474 -2.194 1.00 0.00 C ATOM 0 H LEU A 105 -5.088 5.180 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.499 5.774 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.978 3.942 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.311 3.807 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.809 3.266 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.796 1.034 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.056 1.463 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.423 1.555 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.326 2.788 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.934 3.377 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.242 4.497 -1.898 1.00 0.00 H new ATOM 1636 N ARG A 106 -1.979 7.197 -5.486 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.624 8.039 -6.623 1.00 0.00 C ATOM 1638 C ARG A 106 -0.895 7.230 -7.691 1.00 0.00 C ATOM 1639 O ARG A 106 -1.438 6.968 -8.765 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.747 9.206 -6.165 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.237 10.069 -7.310 1.00 0.00 C ATOM 1642 CD ARG A 106 0.098 11.476 -6.839 1.00 0.00 C ATOM 1643 NE ARG A 106 0.033 12.446 -7.927 1.00 0.00 N ATOM 1644 CZ ARG A 106 0.516 13.681 -7.842 1.00 0.00 C ATOM 1645 NH1 ARG A 106 1.097 14.093 -6.723 1.00 0.00 N ATOM 1646 NH2 ARG A 106 0.418 14.506 -8.875 1.00 0.00 N ATOM 0 H ARG A 106 -1.344 7.273 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.545 8.432 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.317 9.830 -5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.105 8.814 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.650 9.609 -7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.991 10.117 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.595 11.769 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.098 11.485 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.408 12.160 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.174 13.461 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.467 15.041 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.029 14.193 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.789 15.454 -8.808 1.00 0.00 H new ATOM 1660 N HIS A 107 0.338 6.835 -7.390 1.00 0.00 N ATOM 1661 CA HIS A 107 1.142 6.056 -8.324 1.00 0.00 C ATOM 1662 C HIS A 107 1.913 4.960 -7.595 1.00 0.00 C ATOM 1663 O HIS A 107 2.326 5.118 -6.445 1.00 0.00 O ATOM 1664 CB HIS A 107 2.113 6.966 -9.077 1.00 0.00 C ATOM 1665 CG HIS A 107 1.516 7.602 -10.294 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.357 6.936 -11.491 1.00 0.00 N ATOM 1667 CD2 HIS A 107 1.035 8.853 -10.494 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.806 7.750 -12.375 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.601 8.918 -11.794 1.00 0.00 N ATOM 0 H HIS A 107 0.802 7.042 -6.506 1.00 0.00 H new ATOM 0 HA HIS A 107 0.468 5.586 -9.040 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.462 7.748 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.987 6.386 -9.372 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.000 9.650 -9.766 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.565 7.502 -13.398 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.187 9.737 -12.240 1.00 0.00 H new ATOM 1678 N PRO A 108 2.114 3.823 -8.276 1.00 0.00 N ATOM 1679 CA PRO A 108 2.837 2.679 -7.712 1.00 0.00 C ATOM 1680 C PRO A 108 4.327 2.959 -7.549 1.00 0.00 C ATOM 1681 O PRO A 108 4.896 3.784 -8.264 1.00 0.00 O ATOM 1682 CB PRO A 108 2.610 1.572 -8.744 1.00 0.00 C ATOM 1683 CG PRO A 108 2.359 2.292 -10.023 1.00 0.00 C ATOM 1684 CD PRO A 108 1.650 3.564 -9.650 1.00 0.00 C ATOM 0 HA PRO A 108 2.484 2.426 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.479 0.919 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.762 0.944 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.294 2.504 -10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.750 1.689 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.910 4.381 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.567 3.448 -9.693 1.00 0.00 H new ATOM 1692 N VAL A 109 4.955 2.266 -6.604 1.00 0.00 N ATOM 1693 CA VAL A 109 6.380 2.438 -6.349 1.00 0.00 C ATOM 1694 C VAL A 109 7.028 1.121 -5.937 1.00 0.00 C ATOM 1695 O VAL A 109 6.427 0.318 -5.225 1.00 0.00 O ATOM 1696 CB VAL A 109 6.630 3.487 -5.250 1.00 0.00 C ATOM 1697 CG1 VAL A 109 8.115 3.582 -4.929 1.00 0.00 C ATOM 1698 CG2 VAL A 109 6.080 4.841 -5.670 1.00 0.00 C ATOM 0 H VAL A 109 4.499 1.580 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 109 6.829 2.784 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 109 6.107 3.172 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.272 4.328 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.475 2.614 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.663 3.872 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.266 5.570 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.572 5.165 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.007 4.760 -5.844 1.00 0.00 H new ATOM 1708 N SER A 110 8.260 0.907 -6.389 1.00 0.00 N ATOM 1709 CA SER A 110 8.989 -0.314 -6.070 1.00 0.00 C ATOM 1710 C SER A 110 10.368 0.009 -5.502 1.00 0.00 C ATOM 1711 O SER A 110 10.894 1.100 -5.707 1.00 0.00 O ATOM 1712 CB SER A 110 9.133 -1.189 -7.317 1.00 0.00 C ATOM 1713 OG SER A 110 9.925 -2.332 -7.050 1.00 0.00 O ATOM 0 H SER A 110 8.773 1.564 -6.977 1.00 0.00 H new ATOM 0 HA SER A 110 8.422 -0.859 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.147 -1.499 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.586 -0.609 -8.121 1.00 0.00 H new ATOM 0 HG SER A 110 10.000 -2.875 -7.862 1.00 0.00 H new TER 1719 SER A 110