USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1060 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 49 CYS SG : rot -48:sc= -1.23! USER MOD Set 1.2: A 53 LYS NZ :NH3+ 161:sc= -4.12! (180deg=-1.71) USER MOD Set 1.3: A 107 GLN : amide:sc= -0.997 K(o=-6.4,f=-7.8) USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.0524 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.0464 USER MOD Set 3.1: A 42 ASN : amide:sc= -3.25! K(o=-8.1!,f=-4.9) USER MOD Set 3.2: A 82 ASN : amide:sc= -4.9 K(o=-8.1,f=-5.3!) USER MOD Set 4.1: A 16 SER OG : rot -78:sc= -1.91! USER MOD Set 4.2: A 19 ASN : amide:sc= -3.52! C(o=-5.4!,f=-3.6!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.095 USER MOD Single : A 7 GLN : amide:sc= -0.013 K(o=-0.013,f=-0.92) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.733 K(o=-0.73,f=-2.1!) USER MOD Single : A 23 HIS : no HD1:sc= -5.81! C(o=-5.8!,f=-14!) USER MOD Single : A 25 CYS SG : rot 178:sc= -1.15 USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= -1.68 (180deg=-2.54!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -160:sc= -2.11! USER MOD Single : A 48 SER OG : rot -42:sc= 0.804 USER MOD Single : A 52 TYR OH : rot 18:sc= -0.0109 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0602) USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= -1.27 (180deg=-3.89!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc=-0.00856 (180deg=-0.268) USER MOD Single : A 62 SER OG : rot 180:sc= -0.949 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -2.45 (180deg=-2.76) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -0.095 (180deg=-0.794) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.52 USER MOD Single : A 70 ASN : amide:sc= -3.9! C(o=-3.9!,f=-2.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.287 USER MOD Single : A 76 GLN : amide:sc=-0.00393 K(o=-0.0039,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 1.8 (180deg=0.275) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -110:sc= -1.12 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.733 USER MOD Single : A 92 SER OG : rot -84:sc= 0.727 USER MOD Single : A 94 ASN : amide:sc= -2.09! C(o=-2.1!,f=-2.3!) USER MOD Single : A 95 MET CE :methyl -170:sc= -1.21 (180deg=-1.71) USER MOD Single : A 102 CYS SG : rot -93:sc= -1.22 USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= -0.234 (180deg=-1.13) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.8!) USER MOD Single : A 114 MET CE :methyl -172:sc= -2.08 (180deg=-2.29) USER MOD Single : A 116 LYS NZ :NH3+ 158:sc= -0.287 (180deg=-1.05) USER MOD Single : A 118 SER OG : rot -68:sc= -0.164! USER MOD Single : A 119 TYR OH : rot 171:sc= -1.4! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -17:sc= 0.249 USER MOD Single : A 128 TYR OH : rot 180:sc=-0.00688 USER MOD Single : A 132 THR OG1 : rot 61:sc= -1.26! USER MOD Single : A 133 ASN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.524 2.895 -13.763 1.00 17.32 N ATOM 2 CA VAL A 5 -8.130 2.400 -12.487 1.00 16.53 C ATOM 3 C VAL A 5 -9.643 2.608 -12.548 1.00 15.62 C ATOM 4 O VAL A 5 -10.115 3.702 -12.782 1.00 15.21 O ATOM 5 CB VAL A 5 -7.571 3.197 -11.306 1.00 17.91 C ATOM 6 CG1 VAL A 5 -7.982 2.516 -9.999 1.00 18.70 C ATOM 7 CG2 VAL A 5 -6.044 3.263 -11.399 1.00 17.86 C ATOM 0 HA VAL A 5 -7.895 1.344 -12.358 1.00 16.53 H new ATOM 0 HB VAL A 5 -7.970 4.211 -11.330 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.586 3.080 -9.155 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -9.069 2.480 -9.934 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -7.584 1.502 -9.976 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -5.652 3.832 -10.556 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -5.634 2.253 -11.377 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -5.757 3.751 -12.330 1.00 17.86 H new ATOM 17 N SER A 6 -10.407 1.574 -12.341 1.00 15.43 N ATOM 18 CA SER A 6 -11.885 1.736 -12.392 1.00 14.66 C ATOM 19 C SER A 6 -12.353 2.462 -11.130 1.00 13.40 C ATOM 20 O SER A 6 -11.681 2.460 -10.116 1.00 12.58 O ATOM 21 CB SER A 6 -12.546 0.359 -12.466 1.00 15.49 C ATOM 22 OG SER A 6 -12.412 -0.293 -11.211 1.00 15.97 O ATOM 0 H SER A 6 -10.076 0.630 -12.140 1.00 15.43 H new ATOM 0 HA SER A 6 -12.162 2.316 -13.272 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.600 0.462 -12.725 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.082 -0.238 -13.251 1.00 15.49 H new ATOM 0 HG SER A 6 -12.836 -1.175 -11.254 1.00 15.97 H new ATOM 28 N GLN A 7 -13.500 3.079 -11.179 1.00 13.37 N ATOM 29 CA GLN A 7 -14.009 3.798 -9.979 1.00 12.23 C ATOM 30 C GLN A 7 -14.404 2.781 -8.906 1.00 11.36 C ATOM 31 O GLN A 7 -14.409 3.071 -7.730 1.00 10.97 O ATOM 32 CB GLN A 7 -15.221 4.646 -10.364 1.00 13.19 C ATOM 33 CG GLN A 7 -14.761 5.822 -11.229 1.00 13.36 C ATOM 34 CD GLN A 7 -15.980 6.558 -11.786 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.962 5.942 -12.151 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.960 7.860 -11.864 1.00 13.77 N ATOM 0 H GLN A 7 -14.107 3.116 -11.998 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.229 4.450 -9.586 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -15.945 4.040 -10.909 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -15.722 5.013 -9.468 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.151 6.504 -10.638 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.136 5.462 -12.046 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.136 8.377 -11.558 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -16.769 8.361 -12.231 1.00 13.77 H new ATOM 45 N GLU A 8 -14.748 1.594 -9.305 1.00 13.01 N ATOM 46 CA GLU A 8 -15.150 0.559 -8.314 1.00 12.24 C ATOM 47 C GLU A 8 -13.950 0.135 -7.456 1.00 11.73 C ATOM 48 O GLU A 8 -14.080 -0.116 -6.274 1.00 11.71 O ATOM 49 CB GLU A 8 -15.695 -0.663 -9.054 1.00 13.27 C ATOM 50 CG GLU A 8 -17.044 -0.316 -9.687 1.00 13.55 C ATOM 51 CD GLU A 8 -17.498 -1.470 -10.582 1.00 14.55 C ATOM 52 OE1 GLU A 8 -16.935 -1.616 -11.655 1.00 14.92 O ATOM 53 OE2 GLU A 8 -18.403 -2.183 -10.181 1.00 15.06 O ATOM 0 H GLU A 8 -14.769 1.292 -10.279 1.00 13.01 H new ATOM 0 HA GLU A 8 -15.917 0.978 -7.662 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.991 -0.979 -9.823 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.809 -1.499 -8.363 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.786 -0.131 -8.910 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -16.959 0.600 -10.271 1.00 13.55 H new ATOM 60 N GLU A 9 -12.789 0.016 -8.047 1.00 11.46 N ATOM 61 CA GLU A 9 -11.595 -0.437 -7.271 1.00 11.12 C ATOM 62 C GLU A 9 -11.142 0.640 -6.279 1.00 10.28 C ATOM 63 O GLU A 9 -10.846 0.348 -5.137 1.00 10.32 O ATOM 64 CB GLU A 9 -10.454 -0.736 -8.247 1.00 12.40 C ATOM 65 CG GLU A 9 -10.803 -1.978 -9.068 1.00 13.24 C ATOM 66 CD GLU A 9 -9.793 -2.137 -10.206 1.00 14.08 C ATOM 67 OE1 GLU A 9 -8.904 -1.307 -10.302 1.00 14.68 O ATOM 68 OE2 GLU A 9 -9.929 -3.083 -10.965 1.00 14.26 O ATOM 0 H GLU A 9 -12.616 0.213 -9.033 1.00 11.46 H new ATOM 0 HA GLU A 9 -11.862 -1.332 -6.709 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.292 0.116 -8.907 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.525 -0.897 -7.700 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.792 -2.863 -8.431 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.811 -1.888 -9.472 1.00 13.24 H new ATOM 75 N VAL A 10 -11.087 1.879 -6.684 1.00 9.75 N ATOM 76 CA VAL A 10 -10.655 2.940 -5.726 1.00 9.10 C ATOM 77 C VAL A 10 -11.649 2.985 -4.568 1.00 7.91 C ATOM 78 O VAL A 10 -11.285 3.216 -3.434 1.00 7.70 O ATOM 79 CB VAL A 10 -10.610 4.302 -6.420 1.00 10.81 C ATOM 80 CG1 VAL A 10 -9.507 4.306 -7.484 1.00 11.69 C ATOM 81 CG2 VAL A 10 -11.955 4.564 -7.083 1.00 11.17 C ATOM 0 H VAL A 10 -11.319 2.202 -7.623 1.00 9.75 H new ATOM 0 HA VAL A 10 -9.656 2.710 -5.356 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.400 5.080 -5.686 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -9.479 5.278 -7.975 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -8.545 4.111 -7.011 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -9.712 3.532 -8.223 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -11.933 5.533 -7.581 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.157 3.784 -7.817 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -12.740 4.563 -6.327 1.00 11.17 H new ATOM 91 N LYS A 11 -12.902 2.749 -4.835 1.00 7.38 N ATOM 92 CA LYS A 11 -13.890 2.765 -3.728 1.00 6.32 C ATOM 93 C LYS A 11 -13.473 1.694 -2.726 1.00 5.68 C ATOM 94 O LYS A 11 -13.514 1.900 -1.535 1.00 5.93 O ATOM 95 CB LYS A 11 -15.290 2.463 -4.271 1.00 8.26 C ATOM 96 CG LYS A 11 -15.796 3.645 -5.117 1.00 8.64 C ATOM 97 CD LYS A 11 -16.335 4.765 -4.219 1.00 9.23 C ATOM 98 CE LYS A 11 -17.050 5.802 -5.087 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.475 6.952 -4.240 1.00 10.51 N ATOM 0 H LYS A 11 -13.280 2.548 -5.761 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.917 3.745 -3.251 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.266 1.557 -4.876 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.976 2.277 -3.445 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -14.985 4.028 -5.737 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.581 3.305 -5.793 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.023 4.356 -3.479 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -15.518 5.233 -3.670 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -16.387 6.147 -5.881 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -17.918 5.352 -5.569 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.961 7.657 -4.830 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.122 6.616 -3.498 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -16.639 7.386 -3.800 1.00 10.51 H new ATOM 113 N LYS A 12 -13.029 0.566 -3.207 1.00 5.08 N ATOM 114 CA LYS A 12 -12.567 -0.503 -2.281 1.00 4.72 C ATOM 115 C LYS A 12 -11.319 0.000 -1.559 1.00 4.34 C ATOM 116 O LYS A 12 -11.114 -0.255 -0.391 1.00 4.65 O ATOM 117 CB LYS A 12 -12.226 -1.772 -3.071 1.00 6.91 C ATOM 118 CG LYS A 12 -13.515 -2.436 -3.560 1.00 7.86 C ATOM 119 CD LYS A 12 -13.175 -3.541 -4.568 1.00 8.86 C ATOM 120 CE LYS A 12 -12.339 -4.635 -3.893 1.00 9.89 C ATOM 121 NZ LYS A 12 -12.469 -5.902 -4.667 1.00 10.82 N ATOM 0 H LYS A 12 -12.967 0.339 -4.200 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.353 -0.740 -1.564 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.589 -1.524 -3.920 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.665 -2.464 -2.443 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.062 -2.856 -2.716 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.165 -1.694 -4.024 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.092 -3.971 -4.971 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.624 -3.119 -5.409 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -11.293 -4.331 -3.844 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.676 -4.786 -2.867 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -11.903 -6.646 -4.212 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -13.467 -6.193 -4.692 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -12.127 -5.752 -5.638 1.00 10.82 H new ATOM 135 N TRP A 13 -10.484 0.717 -2.259 1.00 4.15 N ATOM 136 CA TRP A 13 -9.243 1.246 -1.632 1.00 3.58 C ATOM 137 C TRP A 13 -9.601 2.158 -0.456 1.00 2.38 C ATOM 138 O TRP A 13 -8.935 2.161 0.549 1.00 2.83 O ATOM 139 CB TRP A 13 -8.442 2.046 -2.666 1.00 4.70 C ATOM 140 CG TRP A 13 -8.059 1.177 -3.831 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.326 -0.150 -3.958 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.345 1.562 -5.046 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.818 -0.596 -5.164 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.204 0.420 -5.869 1.00 5.70 C ATOM 145 CE3 TRP A 13 -6.809 2.779 -5.505 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.557 0.483 -7.103 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.157 2.846 -6.747 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.031 1.700 -7.545 1.00 6.26 C ATOM 0 H TRP A 13 -10.609 0.959 -3.242 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.644 0.409 -1.272 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.034 2.892 -3.016 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.545 2.455 -2.201 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.850 -0.757 -3.234 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.888 -1.559 -5.493 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -6.900 3.668 -4.898 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.463 -0.403 -7.713 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -5.750 3.786 -7.090 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.529 1.758 -8.499 1.00 6.26 H new ATOM 159 N ALA A 14 -10.633 2.945 -0.565 1.00 0.01 N ATOM 160 CA ALA A 14 -10.980 3.853 0.568 1.00 0.01 C ATOM 161 C ALA A 14 -11.690 3.071 1.679 1.00 0.01 C ATOM 162 O ALA A 14 -11.985 3.608 2.728 1.00 0.01 O ATOM 163 CB ALA A 14 -11.890 4.973 0.067 1.00 0.00 C ATOM 0 H ALA A 14 -11.246 3.001 -1.378 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.062 4.281 0.970 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.142 5.635 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.375 5.541 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.803 4.543 -0.345 1.00 0.00 H new ATOM 169 N GLU A 15 -11.966 1.809 1.467 1.00 0.01 N ATOM 170 CA GLU A 15 -12.655 1.005 2.529 1.00 0.01 C ATOM 171 C GLU A 15 -11.629 0.330 3.442 1.00 0.01 C ATOM 172 O GLU A 15 -11.945 -0.057 4.548 1.00 0.01 O ATOM 173 CB GLU A 15 -13.529 -0.074 1.885 1.00 0.01 C ATOM 174 CG GLU A 15 -14.734 0.575 1.204 1.00 0.01 C ATOM 175 CD GLU A 15 -15.545 -0.497 0.475 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.153 -1.650 0.529 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.546 -0.145 -0.129 1.00 0.01 O ATOM 0 H GLU A 15 -11.747 1.301 0.610 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.274 1.681 3.119 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.948 -0.639 1.156 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.865 -0.782 2.642 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.357 1.077 1.944 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.401 1.336 0.499 1.00 0.01 H new ATOM 184 N SER A 16 -10.406 0.174 3.000 1.00 0.01 N ATOM 185 CA SER A 16 -9.392 -0.492 3.872 1.00 0.01 C ATOM 186 C SER A 16 -7.994 -0.417 3.246 1.00 0.00 C ATOM 187 O SER A 16 -7.833 -0.467 2.045 1.00 0.00 O ATOM 188 CB SER A 16 -9.773 -1.963 4.050 1.00 0.01 C ATOM 189 OG SER A 16 -9.904 -2.569 2.770 1.00 0.01 O ATOM 0 H SER A 16 -10.069 0.475 2.085 1.00 0.01 H new ATOM 0 HA SER A 16 -9.374 0.021 4.834 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.012 -2.480 4.635 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.709 -2.045 4.602 1.00 0.01 H new ATOM 0 HG SER A 16 -10.769 -2.324 2.379 1.00 0.01 H new ATOM 195 N LEU A 17 -6.983 -0.312 4.071 1.00 0.00 N ATOM 196 CA LEU A 17 -5.582 -0.244 3.569 1.00 0.00 C ATOM 197 C LEU A 17 -5.265 -1.513 2.778 1.00 0.01 C ATOM 198 O LEU A 17 -4.614 -1.478 1.754 1.00 0.00 O ATOM 199 CB LEU A 17 -4.631 -0.167 4.770 1.00 0.01 C ATOM 200 CG LEU A 17 -3.226 0.255 4.296 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.159 1.790 4.105 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.172 -0.207 5.322 1.00 0.00 C ATOM 0 H LEU A 17 -7.073 -0.270 5.086 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.462 0.631 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.009 0.549 5.500 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.581 -1.135 5.269 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.018 -0.217 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.161 2.072 3.770 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.892 2.096 3.359 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.377 2.284 5.052 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.180 0.093 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.380 0.251 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.210 -1.292 5.419 1.00 0.00 H new ATOM 214 N GLU A 18 -5.713 -2.634 3.262 1.00 0.01 N ATOM 215 CA GLU A 18 -5.443 -3.920 2.571 1.00 0.00 C ATOM 216 C GLU A 18 -5.982 -3.867 1.142 1.00 0.00 C ATOM 217 O GLU A 18 -5.368 -4.369 0.229 1.00 0.01 O ATOM 218 CB GLU A 18 -6.139 -5.048 3.331 1.00 0.01 C ATOM 219 CG GLU A 18 -5.478 -5.221 4.698 1.00 0.01 C ATOM 220 CD GLU A 18 -6.295 -6.198 5.543 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.304 -6.676 5.052 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.901 -6.448 6.670 1.00 0.01 O ATOM 0 H GLU A 18 -6.262 -2.714 4.118 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.368 -4.097 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.198 -4.820 3.453 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.076 -5.977 2.764 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.460 -5.592 4.577 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.408 -4.258 5.204 1.00 0.01 H new ATOM 229 N ASN A 19 -7.125 -3.273 0.937 1.00 0.01 N ATOM 230 CA ASN A 19 -7.685 -3.215 -0.446 1.00 0.00 C ATOM 231 C ASN A 19 -6.708 -2.477 -1.365 1.00 0.00 C ATOM 232 O ASN A 19 -6.356 -2.957 -2.427 1.00 0.01 O ATOM 233 CB ASN A 19 -9.019 -2.465 -0.427 1.00 0.01 C ATOM 234 CG ASN A 19 -10.091 -3.330 0.238 1.00 0.01 C ATOM 235 OD1 ASN A 19 -11.213 -2.900 0.411 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.790 -4.541 0.624 1.00 0.01 N ATOM 0 H ASN A 19 -7.692 -2.829 1.659 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.839 -4.229 -0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.910 -1.525 0.114 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.320 -2.215 -1.444 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.497 -5.125 1.070 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -8.848 -4.903 0.479 1.00 0.01 H new ATOM 243 N LEU A 20 -6.255 -1.325 -0.963 1.00 0.00 N ATOM 244 CA LEU A 20 -5.290 -0.569 -1.809 1.00 0.01 C ATOM 245 C LEU A 20 -4.023 -1.405 -1.990 1.00 0.01 C ATOM 246 O LEU A 20 -3.437 -1.443 -3.054 1.00 0.00 O ATOM 247 CB LEU A 20 -4.945 0.756 -1.115 1.00 0.00 C ATOM 248 CG LEU A 20 -3.920 1.557 -1.938 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.482 1.879 -3.331 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.601 2.866 -1.198 1.00 0.01 C ATOM 0 H LEU A 20 -6.510 -0.873 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.729 -0.362 -2.785 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.851 1.347 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.544 0.557 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.014 0.963 -2.058 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.744 2.446 -3.899 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.709 0.951 -3.855 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.392 2.470 -3.228 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.875 3.441 -1.773 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.514 3.449 -1.080 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.187 2.637 -0.216 1.00 0.01 H new ATOM 262 N ILE A 21 -3.587 -2.056 -0.949 1.00 0.01 N ATOM 263 CA ILE A 21 -2.345 -2.873 -1.043 1.00 0.00 C ATOM 264 C ILE A 21 -2.628 -4.237 -1.698 1.00 0.00 C ATOM 265 O ILE A 21 -1.757 -4.824 -2.308 1.00 0.00 O ATOM 266 CB ILE A 21 -1.773 -3.088 0.364 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.472 -1.730 1.001 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.469 -3.887 0.277 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.060 -1.931 2.460 1.00 0.01 C ATOM 0 H ILE A 21 -4.038 -2.058 -0.034 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.625 -2.339 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.501 -3.634 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.675 -1.228 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.351 -1.088 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.067 -4.037 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.665 -4.855 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.254 -3.338 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.845 -0.964 2.914 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.871 -2.415 3.004 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.169 -2.558 2.504 1.00 0.01 H new ATOM 281 N ASN A 22 -3.820 -4.765 -1.557 1.00 0.00 N ATOM 282 CA ASN A 22 -4.117 -6.113 -2.151 1.00 0.01 C ATOM 283 C ASN A 22 -4.621 -5.990 -3.591 1.00 0.01 C ATOM 284 O ASN A 22 -4.879 -6.985 -4.240 1.00 0.01 O ATOM 285 CB ASN A 22 -5.180 -6.829 -1.313 1.00 0.01 C ATOM 286 CG ASN A 22 -4.570 -7.285 0.014 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.367 -7.410 0.131 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.354 -7.549 1.024 1.00 0.01 N ATOM 0 H ASN A 22 -4.596 -4.327 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.190 -6.686 -2.153 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.021 -6.161 -1.127 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.570 -7.688 -1.859 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.957 -7.860 1.910 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.364 -7.444 0.927 1.00 0.01 H new ATOM 295 N HIS A 23 -4.759 -4.801 -4.111 1.00 0.01 N ATOM 296 CA HIS A 23 -5.240 -4.664 -5.523 1.00 0.01 C ATOM 297 C HIS A 23 -4.020 -4.585 -6.451 1.00 0.01 C ATOM 298 O HIS A 23 -3.053 -3.907 -6.165 1.00 0.01 O ATOM 299 CB HIS A 23 -6.088 -3.396 -5.663 1.00 0.00 C ATOM 300 CG HIS A 23 -6.885 -3.462 -6.938 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.389 -2.998 -8.145 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.143 -3.938 -7.207 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.336 -3.204 -9.079 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.426 -3.776 -8.560 1.00 0.01 N ATOM 0 H HIS A 23 -4.563 -3.924 -3.628 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.854 -5.524 -5.792 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.757 -3.297 -4.808 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.446 -2.515 -5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.812 -4.373 -6.479 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.228 -2.939 -10.120 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.282 -4.038 -9.050 1.00 0.01 H new ATOM 312 N GLU A 24 -4.053 -5.296 -7.548 1.00 0.01 N ATOM 313 CA GLU A 24 -2.890 -5.287 -8.485 1.00 0.01 C ATOM 314 C GLU A 24 -2.632 -3.869 -8.989 1.00 0.01 C ATOM 315 O GLU A 24 -1.499 -3.445 -9.118 1.00 0.01 O ATOM 316 CB GLU A 24 -3.185 -6.207 -9.673 1.00 0.01 C ATOM 317 CG GLU A 24 -1.974 -6.251 -10.613 1.00 0.01 C ATOM 318 CD GLU A 24 -2.273 -7.182 -11.788 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.277 -7.873 -11.730 1.00 0.01 O ATOM 320 OE2 GLU A 24 -1.494 -7.190 -12.727 1.00 0.00 O ATOM 0 H GLU A 24 -4.836 -5.883 -7.836 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.005 -5.642 -7.957 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.417 -7.211 -9.318 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.062 -5.849 -10.212 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.747 -5.249 -10.978 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.094 -6.601 -10.073 1.00 0.01 H new ATOM 327 N CYS A 25 -3.663 -3.124 -9.278 1.00 0.01 N ATOM 328 CA CYS A 25 -3.443 -1.740 -9.777 1.00 0.01 C ATOM 329 C CYS A 25 -3.215 -0.828 -8.576 1.00 0.01 C ATOM 330 O CYS A 25 -2.494 0.147 -8.653 1.00 0.00 O ATOM 331 CB CYS A 25 -4.668 -1.274 -10.571 1.00 0.01 C ATOM 332 SG CYS A 25 -4.181 0.086 -11.661 1.00 0.00 S ATOM 0 H CYS A 25 -4.638 -3.411 -9.191 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.575 -1.709 -10.435 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.073 -2.099 -11.157 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.456 -0.948 -9.891 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.203 0.460 -12.372 1.00 0.00 H new ATOM 338 N GLY A 26 -3.796 -1.156 -7.456 1.00 0.01 N ATOM 339 CA GLY A 26 -3.571 -0.324 -6.248 1.00 0.01 C ATOM 340 C GLY A 26 -2.080 -0.341 -5.943 1.00 0.01 C ATOM 341 O GLY A 26 -1.470 0.682 -5.741 1.00 0.01 O ATOM 0 H GLY A 26 -4.412 -1.959 -7.328 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.915 0.696 -6.417 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.138 -0.715 -5.403 1.00 0.01 H new ATOM 345 N LEU A 27 -1.482 -1.501 -5.931 1.00 0.01 N ATOM 346 CA LEU A 27 -0.020 -1.577 -5.663 1.00 0.00 C ATOM 347 C LEU A 27 0.720 -0.776 -6.731 1.00 0.00 C ATOM 348 O LEU A 27 1.564 0.037 -6.431 1.00 0.00 O ATOM 349 CB LEU A 27 0.444 -3.037 -5.711 1.00 0.00 C ATOM 350 CG LEU A 27 -0.080 -3.808 -4.491 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.099 -5.310 -4.732 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.703 -3.408 -3.226 1.00 0.01 C ATOM 0 H LEU A 27 -1.942 -2.396 -6.095 1.00 0.01 H new ATOM 0 HA LEU A 27 0.191 -1.168 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.087 -3.508 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.533 -3.078 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.134 -3.569 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.271 -5.864 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.460 -5.605 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.156 -5.531 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.320 -3.963 -2.370 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.759 -3.638 -3.364 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.585 -2.339 -3.048 1.00 0.01 H new ATOM 364 N ALA A 28 0.404 -0.983 -7.978 1.00 0.00 N ATOM 365 CA ALA A 28 1.104 -0.212 -9.040 1.00 0.00 C ATOM 366 C ALA A 28 0.852 1.275 -8.802 1.00 0.01 C ATOM 367 O ALA A 28 1.752 2.091 -8.860 1.00 0.00 O ATOM 368 CB ALA A 28 0.556 -0.615 -10.410 1.00 0.00 C ATOM 0 H ALA A 28 -0.300 -1.645 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 28 2.174 -0.419 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.069 -0.050 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.720 -1.681 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.512 -0.402 -10.452 1.00 0.00 H new ATOM 374 N ALA A 29 -0.367 1.626 -8.513 1.00 0.00 N ATOM 375 CA ALA A 29 -0.693 3.051 -8.245 1.00 0.01 C ATOM 376 C ALA A 29 -0.060 3.473 -6.918 1.00 0.00 C ATOM 377 O ALA A 29 0.433 4.573 -6.772 1.00 0.00 O ATOM 378 CB ALA A 29 -2.212 3.213 -8.158 1.00 0.01 C ATOM 0 H ALA A 29 -1.156 0.983 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.304 3.675 -9.050 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.456 4.257 -7.961 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.665 2.906 -9.100 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.598 2.592 -7.350 1.00 0.01 H new ATOM 384 N PHE A 30 -0.088 2.605 -5.942 1.00 0.00 N ATOM 385 CA PHE A 30 0.489 2.948 -4.614 1.00 0.00 C ATOM 386 C PHE A 30 2.010 3.113 -4.729 1.00 0.00 C ATOM 387 O PHE A 30 2.580 4.026 -4.168 1.00 0.00 O ATOM 388 CB PHE A 30 0.149 1.841 -3.605 1.00 0.00 C ATOM 389 CG PHE A 30 0.449 2.302 -2.195 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.219 3.413 -1.662 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.378 1.608 -1.412 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.046 3.830 -0.356 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.642 2.028 -0.106 1.00 0.00 C ATOM 394 CZ PHE A 30 0.977 3.139 0.424 1.00 0.00 C ATOM 0 H PHE A 30 -0.488 1.669 -6.010 1.00 0.00 H new ATOM 0 HA PHE A 30 0.063 3.889 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.904 1.573 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.725 0.944 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.940 3.948 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.891 0.748 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.469 4.687 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.362 1.493 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.183 3.462 1.434 1.00 0.00 H new ATOM 404 N LYS A 31 2.676 2.252 -5.455 1.00 0.00 N ATOM 405 CA LYS A 31 4.156 2.397 -5.592 1.00 0.00 C ATOM 406 C LYS A 31 4.473 3.750 -6.221 1.00 0.00 C ATOM 407 O LYS A 31 5.387 4.439 -5.807 1.00 0.00 O ATOM 408 CB LYS A 31 4.710 1.270 -6.465 1.00 0.00 C ATOM 409 CG LYS A 31 4.618 -0.051 -5.705 1.00 0.00 C ATOM 410 CD LYS A 31 5.171 -1.176 -6.577 1.00 0.00 C ATOM 411 CE LYS A 31 5.080 -2.496 -5.818 1.00 0.01 C ATOM 412 NZ LYS A 31 5.978 -2.455 -4.628 1.00 0.00 N ATOM 0 H LYS A 31 2.265 1.463 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 31 4.621 2.338 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.148 1.206 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.746 1.477 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.181 0.012 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.582 -0.258 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.608 -1.240 -7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.207 -0.968 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.052 -2.676 -5.504 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.363 -3.322 -6.471 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 5.513 -2.926 -3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.869 -2.945 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.180 -1.466 -4.379 1.00 0.00 H new ATOM 426 N ALA A 32 3.716 4.163 -7.199 1.00 0.00 N ATOM 427 CA ALA A 32 3.984 5.490 -7.811 1.00 0.00 C ATOM 428 C ALA A 32 3.655 6.558 -6.768 1.00 0.01 C ATOM 429 O ALA A 32 4.402 7.492 -6.554 1.00 0.00 O ATOM 430 CB ALA A 32 3.094 5.679 -9.042 1.00 0.00 C ATOM 0 H ALA A 32 2.932 3.645 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 32 5.026 5.566 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.293 6.653 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.308 4.896 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.047 5.623 -8.746 1.00 0.00 H new ATOM 436 N PHE A 33 2.539 6.408 -6.110 1.00 0.00 N ATOM 437 CA PHE A 33 2.137 7.384 -5.062 1.00 0.00 C ATOM 438 C PHE A 33 3.198 7.421 -3.960 1.00 0.00 C ATOM 439 O PHE A 33 3.532 8.465 -3.437 1.00 0.00 O ATOM 440 CB PHE A 33 0.803 6.954 -4.467 1.00 0.00 C ATOM 441 CG PHE A 33 0.380 7.942 -3.414 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.367 9.064 -3.779 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.726 7.733 -2.075 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.766 9.983 -2.806 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.326 8.652 -1.101 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.421 9.779 -1.465 1.00 0.00 C ATOM 0 H PHE A 33 1.882 5.642 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 33 2.042 8.376 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.046 6.894 -5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.891 5.958 -4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.636 9.221 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.301 6.863 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.341 10.852 -3.089 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.593 8.493 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.730 10.489 -0.713 1.00 0.00 H new ATOM 456 N LEU A 34 3.723 6.282 -3.603 1.00 0.00 N ATOM 457 CA LEU A 34 4.759 6.236 -2.531 1.00 0.00 C ATOM 458 C LEU A 34 5.953 7.079 -2.960 1.00 0.00 C ATOM 459 O LEU A 34 6.618 7.695 -2.149 1.00 0.00 O ATOM 460 CB LEU A 34 5.210 4.789 -2.319 1.00 0.00 C ATOM 461 CG LEU A 34 4.135 3.997 -1.547 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.336 2.481 -1.772 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.224 4.311 -0.040 1.00 0.00 C ATOM 0 H LEU A 34 3.479 5.378 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 34 4.345 6.626 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.398 4.315 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.150 4.772 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 34 3.152 4.290 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.573 1.928 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.253 2.257 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.323 2.188 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.460 3.746 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.210 4.031 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.065 5.377 0.119 1.00 0.00 H new ATOM 475 N LYS A 35 6.228 7.115 -4.228 1.00 0.00 N ATOM 476 CA LYS A 35 7.376 7.920 -4.715 1.00 0.00 C ATOM 477 C LYS A 35 7.148 9.378 -4.308 1.00 0.01 C ATOM 478 O LYS A 35 8.057 10.071 -3.896 1.00 0.00 O ATOM 479 CB LYS A 35 7.449 7.803 -6.238 1.00 0.00 C ATOM 480 CG LYS A 35 8.756 8.407 -6.745 1.00 0.00 C ATOM 481 CD LYS A 35 8.836 8.223 -8.260 1.00 0.00 C ATOM 482 CE LYS A 35 10.165 8.777 -8.773 1.00 0.00 C ATOM 483 NZ LYS A 35 10.366 8.345 -10.186 1.00 0.01 N ATOM 0 H LYS A 35 5.706 6.620 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 35 8.312 7.563 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.383 6.756 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.601 8.316 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.804 9.466 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.606 7.925 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.748 7.167 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.005 8.737 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.167 9.865 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.986 8.420 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.270 8.720 -10.539 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.381 7.306 -10.233 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 9.588 8.707 -10.774 1.00 0.01 H new ATOM 497 N SER A 36 5.930 9.838 -4.405 1.00 0.00 N ATOM 498 CA SER A 36 5.619 11.240 -4.010 1.00 0.00 C ATOM 499 C SER A 36 5.960 11.444 -2.530 1.00 0.00 C ATOM 500 O SER A 36 6.365 12.512 -2.117 1.00 0.00 O ATOM 501 CB SER A 36 4.131 11.518 -4.229 1.00 0.00 C ATOM 502 OG SER A 36 3.831 11.406 -5.615 1.00 0.00 O ATOM 0 H SER A 36 5.133 9.299 -4.743 1.00 0.00 H new ATOM 0 HA SER A 36 6.210 11.924 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.529 10.812 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.879 12.516 -3.870 1.00 0.00 H new ATOM 0 HG SER A 36 2.878 11.582 -5.759 1.00 0.00 H new ATOM 508 N GLU A 37 5.783 10.426 -1.725 1.00 0.00 N ATOM 509 CA GLU A 37 6.078 10.551 -0.264 1.00 0.00 C ATOM 510 C GLU A 37 7.445 9.942 0.042 1.00 0.00 C ATOM 511 O GLU A 37 7.852 9.855 1.184 1.00 0.00 O ATOM 512 CB GLU A 37 5.013 9.788 0.526 1.00 0.00 C ATOM 513 CG GLU A 37 3.672 10.505 0.402 1.00 0.00 C ATOM 514 CD GLU A 37 2.607 9.717 1.162 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.925 8.642 1.644 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.494 10.200 1.250 1.00 0.00 O ATOM 0 H GLU A 37 5.445 9.509 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 37 6.076 11.605 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.928 8.768 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.304 9.718 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.748 11.516 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.392 10.599 -0.647 1.00 0.00 H new ATOM 523 N TYR A 38 8.154 9.519 -0.967 1.00 0.00 N ATOM 524 CA TYR A 38 9.496 8.915 -0.742 1.00 0.00 C ATOM 525 C TYR A 38 9.368 7.769 0.255 1.00 0.00 C ATOM 526 O TYR A 38 10.302 7.423 0.952 1.00 0.00 O ATOM 527 CB TYR A 38 10.449 9.976 -0.194 1.00 0.00 C ATOM 528 CG TYR A 38 10.542 11.109 -1.185 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.417 11.020 -2.272 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.743 12.247 -1.019 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.494 12.069 -3.196 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.821 13.296 -1.941 1.00 0.00 C ATOM 533 CZ TYR A 38 10.696 13.207 -3.030 1.00 0.01 C ATOM 534 OH TYR A 38 10.773 14.240 -3.940 1.00 0.00 O ATOM 0 H TYR A 38 7.860 9.566 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 38 9.891 8.534 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.090 10.345 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.435 9.544 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.033 10.142 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.067 12.315 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.169 12.000 -4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.206 14.175 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 38 10.153 14.953 -3.679 1.00 0.00 H new ATOM 544 N SER A 39 8.212 7.166 0.319 1.00 0.00 N ATOM 545 CA SER A 39 7.996 6.030 1.258 1.00 0.00 C ATOM 546 C SER A 39 8.168 4.721 0.485 1.00 0.00 C ATOM 547 O SER A 39 7.539 3.726 0.775 1.00 0.00 O ATOM 548 CB SER A 39 6.579 6.117 1.840 1.00 0.00 C ATOM 549 OG SER A 39 5.682 6.569 0.835 1.00 0.00 O ATOM 0 H SER A 39 7.400 7.415 -0.246 1.00 0.00 H new ATOM 0 HA SER A 39 8.716 6.069 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.266 5.141 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.564 6.800 2.690 1.00 0.00 H new ATOM 0 HG SER A 39 4.872 6.925 1.256 1.00 0.00 H new ATOM 555 N GLU A 40 9.015 4.723 -0.510 1.00 0.00 N ATOM 556 CA GLU A 40 9.223 3.486 -1.312 1.00 0.00 C ATOM 557 C GLU A 40 9.900 2.417 -0.453 1.00 0.00 C ATOM 558 O GLU A 40 9.670 1.243 -0.623 1.00 0.00 O ATOM 559 CB GLU A 40 10.104 3.797 -2.525 1.00 0.00 C ATOM 560 CG GLU A 40 11.468 4.328 -2.063 1.00 0.00 C ATOM 561 CD GLU A 40 12.336 4.633 -3.285 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.998 4.169 -4.361 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.329 5.326 -3.123 1.00 0.00 O ATOM 0 H GLU A 40 9.570 5.528 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 40 8.255 3.117 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.240 2.898 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.614 4.535 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.336 5.229 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.961 3.592 -1.428 1.00 0.00 H new ATOM 570 N GLU A 41 10.733 2.798 0.464 1.00 0.00 N ATOM 571 CA GLU A 41 11.393 1.764 1.302 1.00 0.00 C ATOM 572 C GLU A 41 10.324 1.011 2.095 1.00 0.00 C ATOM 573 O GLU A 41 10.466 -0.159 2.394 1.00 0.00 O ATOM 574 CB GLU A 41 12.403 2.417 2.255 1.00 0.00 C ATOM 575 CG GLU A 41 11.755 3.588 3.008 1.00 0.00 C ATOM 576 CD GLU A 41 11.766 4.844 2.132 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.774 5.532 2.129 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.771 5.092 1.473 1.00 0.00 O ATOM 0 H GLU A 41 10.985 3.765 0.670 1.00 0.00 H new ATOM 0 HA GLU A 41 11.932 1.065 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.770 1.678 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.266 2.772 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.731 3.334 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.294 3.777 3.936 1.00 0.00 H new ATOM 585 N ASN A 42 9.256 1.674 2.442 1.00 0.00 N ATOM 586 CA ASN A 42 8.178 1.003 3.219 1.00 0.00 C ATOM 587 C ASN A 42 7.564 -0.155 2.424 1.00 0.00 C ATOM 588 O ASN A 42 7.292 -1.204 2.977 1.00 0.00 O ATOM 589 CB ASN A 42 7.091 2.020 3.566 1.00 0.00 C ATOM 590 CG ASN A 42 7.614 2.973 4.647 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.203 2.541 5.617 1.00 0.00 O ATOM 592 ND2 ASN A 42 7.422 4.255 4.518 1.00 0.00 N ATOM 0 H ASN A 42 9.083 2.654 2.220 1.00 0.00 H new ATOM 0 HA ASN A 42 8.613 0.598 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.806 2.582 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.197 1.507 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.767 4.897 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.927 4.617 3.703 1.00 0.00 H new ATOM 599 N ILE A 43 7.321 0.002 1.144 1.00 0.00 N ATOM 600 CA ILE A 43 6.706 -1.134 0.393 1.00 0.00 C ATOM 601 C ILE A 43 7.740 -2.256 0.267 1.00 0.00 C ATOM 602 O ILE A 43 7.426 -3.420 0.412 1.00 0.00 O ATOM 603 CB ILE A 43 6.202 -0.684 -1.000 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.146 -1.681 -1.510 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.349 -0.641 -2.015 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.843 -1.572 -0.691 1.00 0.00 C ATOM 0 H ILE A 43 7.516 0.843 0.601 1.00 0.00 H new ATOM 0 HA ILE A 43 5.836 -1.497 0.941 1.00 0.00 H new ATOM 0 HB ILE A 43 5.776 0.314 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.936 -1.488 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.537 -2.696 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.966 -0.322 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.109 0.063 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.790 -1.634 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.113 -2.287 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.052 -1.790 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.442 -0.562 -0.779 1.00 0.00 H new ATOM 618 N ASP A 44 8.979 -1.919 0.022 1.00 0.00 N ATOM 619 CA ASP A 44 10.012 -2.986 -0.075 1.00 0.00 C ATOM 620 C ASP A 44 10.052 -3.711 1.266 1.00 0.00 C ATOM 621 O ASP A 44 10.125 -4.923 1.336 1.00 0.00 O ATOM 622 CB ASP A 44 11.380 -2.366 -0.367 1.00 0.00 C ATOM 623 CG ASP A 44 11.400 -1.816 -1.794 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.573 -2.242 -2.583 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.242 -0.980 -2.073 1.00 0.00 O ATOM 0 H ASP A 44 9.315 -0.965 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 44 9.770 -3.678 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.588 -1.567 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.163 -3.114 -0.244 1.00 0.00 H new ATOM 630 N PHE A 45 9.975 -2.969 2.336 1.00 0.00 N ATOM 631 CA PHE A 45 9.974 -3.592 3.684 1.00 0.00 C ATOM 632 C PHE A 45 8.708 -4.439 3.814 1.00 0.00 C ATOM 633 O PHE A 45 8.720 -5.528 4.352 1.00 0.00 O ATOM 634 CB PHE A 45 9.982 -2.488 4.744 1.00 0.00 C ATOM 635 CG PHE A 45 9.986 -3.094 6.127 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.204 -3.374 6.755 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.781 -3.371 6.779 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.218 -3.931 8.039 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.792 -3.926 8.065 1.00 0.00 C ATOM 640 CZ PHE A 45 10.013 -4.206 8.695 1.00 0.00 C ATOM 0 H PHE A 45 9.912 -1.951 2.331 1.00 0.00 H new ATOM 0 HA PHE A 45 10.854 -4.220 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.860 -1.855 4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.107 -1.849 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.134 -3.160 6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.841 -3.157 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.159 -4.148 8.523 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.861 -4.138 8.571 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.023 -4.634 9.687 1.00 0.00 H new ATOM 650 N TRP A 46 7.612 -3.935 3.308 1.00 0.00 N ATOM 651 CA TRP A 46 6.332 -4.691 3.376 1.00 0.00 C ATOM 652 C TRP A 46 6.504 -6.021 2.641 1.00 0.00 C ATOM 653 O TRP A 46 6.037 -7.050 3.077 1.00 0.00 O ATOM 654 CB TRP A 46 5.225 -3.866 2.712 1.00 0.00 C ATOM 655 CG TRP A 46 3.928 -4.603 2.770 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.208 -4.814 3.895 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.175 -5.210 1.681 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.065 -5.520 3.567 1.00 0.00 N ATOM 659 CE2 TRP A 46 1.999 -5.788 2.214 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.398 -5.319 0.296 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.075 -6.448 1.405 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.470 -5.983 -0.522 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.311 -6.547 0.031 1.00 0.00 C ATOM 0 H TRP A 46 7.552 -3.026 2.848 1.00 0.00 H new ATOM 0 HA TRP A 46 6.061 -4.882 4.414 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.128 -2.904 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.488 -3.659 1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.481 -4.485 4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.357 -5.808 4.242 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.288 -4.890 -0.140 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.184 -6.879 1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.650 -6.060 -1.584 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.602 -7.057 -0.604 1.00 0.00 H new ATOM 674 N ILE A 47 7.185 -6.010 1.529 1.00 0.00 N ATOM 675 CA ILE A 47 7.393 -7.279 0.781 1.00 0.00 C ATOM 676 C ILE A 47 8.265 -8.206 1.626 1.00 0.00 C ATOM 677 O ILE A 47 8.033 -9.397 1.700 1.00 0.00 O ATOM 678 CB ILE A 47 8.077 -6.981 -0.556 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.103 -6.204 -1.450 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.460 -8.295 -1.240 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.836 -5.679 -2.687 1.00 0.00 C ATOM 0 H ILE A 47 7.604 -5.181 1.108 1.00 0.00 H new ATOM 0 HA ILE A 47 6.435 -7.760 0.582 1.00 0.00 H new ATOM 0 HB ILE A 47 8.977 -6.389 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.279 -6.850 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.669 -5.373 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.947 -8.081 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.144 -8.853 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.563 -8.888 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.138 -5.128 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.645 -5.017 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.248 -6.517 -3.249 1.00 0.00 H new ATOM 693 N SER A 48 9.258 -7.667 2.279 1.00 0.00 N ATOM 694 CA SER A 48 10.131 -8.518 3.134 1.00 0.00 C ATOM 695 C SER A 48 9.305 -9.033 4.315 1.00 0.00 C ATOM 696 O SER A 48 9.425 -10.174 4.716 1.00 0.00 O ATOM 697 CB SER A 48 11.305 -7.691 3.658 1.00 0.00 C ATOM 698 OG SER A 48 10.829 -6.748 4.610 1.00 0.00 O ATOM 0 H SER A 48 9.502 -6.677 2.257 1.00 0.00 H new ATOM 0 HA SER A 48 10.517 -9.355 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.048 -8.343 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.798 -7.175 2.834 1.00 0.00 H new ATOM 0 HG SER A 48 9.996 -6.347 4.285 1.00 0.00 H new ATOM 704 N CYS A 49 8.464 -8.202 4.871 1.00 0.00 N ATOM 705 CA CYS A 49 7.630 -8.649 6.021 1.00 0.00 C ATOM 706 C CYS A 49 6.665 -9.741 5.551 1.00 0.00 C ATOM 707 O CYS A 49 6.478 -10.742 6.212 1.00 0.01 O ATOM 708 CB CYS A 49 6.856 -7.454 6.603 1.00 0.00 C ATOM 709 SG CYS A 49 5.338 -7.156 5.659 1.00 0.01 S ATOM 0 H CYS A 49 8.320 -7.236 4.578 1.00 0.00 H new ATOM 0 HA CYS A 49 8.270 -9.055 6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.609 -7.647 7.647 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.484 -6.563 6.583 1.00 0.00 H new ATOM 0 HG CYS A 49 5.610 -7.157 4.388 1.00 0.01 H new ATOM 715 N GLU A 50 6.056 -9.568 4.411 1.00 0.00 N ATOM 716 CA GLU A 50 5.122 -10.619 3.918 1.00 0.00 C ATOM 717 C GLU A 50 5.901 -11.919 3.758 1.00 0.01 C ATOM 718 O GLU A 50 5.483 -12.963 4.215 1.00 0.00 O ATOM 719 CB GLU A 50 4.529 -10.206 2.569 1.00 0.01 C ATOM 720 CG GLU A 50 3.551 -9.048 2.771 1.00 0.00 C ATOM 721 CD GLU A 50 3.049 -8.566 1.408 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.791 -7.868 0.739 1.00 0.00 O ATOM 723 OE2 GLU A 50 1.933 -8.908 1.056 1.00 0.01 O ATOM 0 H GLU A 50 6.162 -8.754 3.805 1.00 0.00 H new ATOM 0 HA GLU A 50 4.307 -10.752 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.325 -9.908 1.886 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.017 -11.052 2.111 1.00 0.01 H new ATOM 0 HG2 GLU A 50 2.712 -9.369 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.041 -8.231 3.300 1.00 0.00 H new ATOM 730 N GLU A 51 7.049 -11.865 3.141 1.00 0.01 N ATOM 731 CA GLU A 51 7.862 -13.101 2.992 1.00 0.00 C ATOM 732 C GLU A 51 8.191 -13.613 4.391 1.00 0.01 C ATOM 733 O GLU A 51 8.164 -14.797 4.660 1.00 0.00 O ATOM 734 CB GLU A 51 9.159 -12.786 2.240 1.00 0.00 C ATOM 735 CG GLU A 51 8.840 -12.473 0.776 1.00 0.00 C ATOM 736 CD GLU A 51 10.138 -12.161 0.028 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.156 -12.016 0.685 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.090 -12.071 -1.187 1.00 0.01 O ATOM 0 H GLU A 51 7.456 -11.022 2.736 1.00 0.01 H new ATOM 0 HA GLU A 51 7.310 -13.853 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.663 -11.937 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.842 -13.634 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.335 -13.321 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.159 -11.624 0.714 1.00 0.00 H new ATOM 745 N TYR A 52 8.491 -12.711 5.284 1.00 0.00 N ATOM 746 CA TYR A 52 8.816 -13.109 6.678 1.00 0.01 C ATOM 747 C TYR A 52 7.597 -13.824 7.277 1.00 0.01 C ATOM 748 O TYR A 52 7.723 -14.814 7.969 1.00 0.01 O ATOM 749 CB TYR A 52 9.135 -11.849 7.491 1.00 0.00 C ATOM 750 CG TYR A 52 9.719 -12.237 8.825 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.878 -12.474 9.917 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.106 -12.355 8.970 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.422 -12.834 11.154 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.652 -12.714 10.206 1.00 0.00 C ATOM 755 CZ TYR A 52 10.811 -12.953 11.298 1.00 0.01 C ATOM 756 OH TYR A 52 11.351 -13.314 12.515 1.00 0.01 O ATOM 0 H TYR A 52 8.525 -11.708 5.104 1.00 0.00 H new ATOM 0 HA TYR A 52 9.677 -13.777 6.697 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.838 -11.221 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.229 -11.260 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.808 -12.379 9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.755 -12.169 8.127 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.773 -13.020 11.997 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.722 -12.807 10.318 1.00 0.00 H new ATOM 0 HH TYR A 52 10.656 -13.721 13.074 1.00 0.01 H new ATOM 766 N LYS A 53 6.417 -13.326 7.005 1.00 0.01 N ATOM 767 CA LYS A 53 5.180 -13.969 7.544 1.00 0.01 C ATOM 768 C LYS A 53 4.928 -15.319 6.868 1.00 0.01 C ATOM 769 O LYS A 53 4.210 -16.151 7.387 1.00 0.01 O ATOM 770 CB LYS A 53 3.974 -13.057 7.320 1.00 0.01 C ATOM 771 CG LYS A 53 4.063 -11.848 8.251 1.00 0.00 C ATOM 772 CD LYS A 53 2.854 -10.941 8.020 1.00 0.00 C ATOM 773 CE LYS A 53 2.887 -9.785 9.018 1.00 0.01 C ATOM 774 NZ LYS A 53 3.981 -8.842 8.655 1.00 0.00 N ATOM 0 H LYS A 53 6.257 -12.499 6.431 1.00 0.01 H new ATOM 0 HA LYS A 53 5.322 -14.132 8.612 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.943 -12.727 6.282 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.051 -13.606 7.508 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.092 -12.176 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.985 -11.298 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.864 -10.556 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.932 -11.510 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.930 -9.264 9.018 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.042 -10.167 10.027 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 3.812 -7.922 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.892 -9.226 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.004 -8.718 7.623 1.00 0.00 H new ATOM 788 N LYS A 54 5.498 -15.553 5.718 1.00 0.00 N ATOM 789 CA LYS A 54 5.265 -16.860 5.034 1.00 0.01 C ATOM 790 C LYS A 54 6.190 -17.917 5.628 1.00 0.01 C ATOM 791 O LYS A 54 5.808 -19.054 5.819 1.00 0.01 O ATOM 792 CB LYS A 54 5.550 -16.719 3.538 1.00 0.01 C ATOM 793 CG LYS A 54 4.471 -15.853 2.888 1.00 0.01 C ATOM 794 CD LYS A 54 4.761 -15.715 1.392 1.00 0.00 C ATOM 795 CE LYS A 54 3.680 -14.849 0.740 1.00 0.01 C ATOM 796 NZ LYS A 54 2.434 -15.653 0.585 1.00 0.01 N ATOM 0 H LYS A 54 6.110 -14.903 5.224 1.00 0.00 H new ATOM 0 HA LYS A 54 4.227 -17.160 5.177 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.531 -16.270 3.386 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.573 -17.702 3.068 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.489 -16.302 3.039 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.447 -14.869 3.357 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.742 -15.265 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.786 -16.699 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.485 -13.968 1.352 1.00 0.01 H new ATOM 0 HE3 LYS A 54 4.020 -14.493 -0.232 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 1.755 -15.131 -0.006 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 2.661 -16.561 0.132 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 2.015 -15.828 1.521 1.00 0.01 H new ATOM 810 N ILE A 55 7.399 -17.552 5.936 1.00 0.01 N ATOM 811 CA ILE A 55 8.338 -18.538 6.532 1.00 0.01 C ATOM 812 C ILE A 55 7.871 -18.879 7.948 1.00 0.00 C ATOM 813 O ILE A 55 7.823 -18.029 8.816 1.00 0.01 O ATOM 814 CB ILE A 55 9.737 -17.928 6.587 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.240 -17.680 5.159 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.687 -18.887 7.306 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.408 -16.697 5.194 1.00 0.01 C ATOM 0 H ILE A 55 7.778 -16.615 5.801 1.00 0.01 H new ATOM 0 HA ILE A 55 8.361 -19.444 5.927 1.00 0.01 H new ATOM 0 HB ILE A 55 9.701 -16.983 7.130 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.555 -18.619 4.705 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.434 -17.282 4.542 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.685 -18.450 7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.328 -19.062 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.726 -19.833 6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.766 -16.521 4.180 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.078 -15.755 5.631 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.216 -17.113 5.796 1.00 0.01 H new ATOM 829 N LYS A 56 7.521 -20.117 8.189 1.00 0.01 N ATOM 830 CA LYS A 56 7.050 -20.523 9.551 1.00 0.01 C ATOM 831 C LYS A 56 8.188 -21.206 10.307 1.00 0.01 C ATOM 832 O LYS A 56 8.032 -21.618 11.438 1.00 0.01 O ATOM 833 CB LYS A 56 5.876 -21.490 9.413 1.00 0.01 C ATOM 834 CG LYS A 56 4.659 -20.724 8.889 1.00 0.01 C ATOM 835 CD LYS A 56 3.452 -21.669 8.762 1.00 0.00 C ATOM 836 CE LYS A 56 3.571 -22.545 7.507 1.00 0.00 C ATOM 837 NZ LYS A 56 4.483 -23.691 7.779 1.00 0.00 N ATOM 0 H LYS A 56 7.541 -20.868 7.499 1.00 0.01 H new ATOM 0 HA LYS A 56 6.732 -19.639 10.103 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.134 -22.300 8.731 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.648 -21.945 10.377 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.418 -19.903 9.564 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.888 -20.282 7.919 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.386 -22.302 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.532 -21.086 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.588 -22.912 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.952 -21.954 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.386 -23.540 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.654 -23.763 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.046 -24.571 7.439 1.00 0.00 H new ATOM 851 N SER A 57 9.334 -21.328 9.692 1.00 0.00 N ATOM 852 CA SER A 57 10.494 -21.982 10.370 1.00 0.01 C ATOM 853 C SER A 57 11.366 -20.890 11.029 1.00 0.01 C ATOM 854 O SER A 57 11.991 -20.122 10.326 1.00 0.00 O ATOM 855 CB SER A 57 11.332 -22.710 9.319 1.00 0.01 C ATOM 856 OG SER A 57 10.573 -23.781 8.773 1.00 0.01 O ATOM 0 H SER A 57 9.519 -21.001 8.744 1.00 0.00 H new ATOM 0 HA SER A 57 10.140 -22.686 11.123 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.627 -22.019 8.530 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.249 -23.091 9.768 1.00 0.01 H new ATOM 0 HG SER A 57 11.107 -24.249 8.097 1.00 0.01 H new ATOM 862 N PRO A 58 11.427 -20.791 12.348 1.00 0.00 N ATOM 863 CA PRO A 58 12.262 -19.729 12.976 1.00 0.01 C ATOM 864 C PRO A 58 13.762 -19.973 12.755 1.00 0.00 C ATOM 865 O PRO A 58 14.600 -19.229 13.223 1.00 0.00 O ATOM 866 CB PRO A 58 11.876 -19.824 14.464 1.00 0.01 C ATOM 867 CG PRO A 58 11.058 -21.115 14.671 1.00 0.01 C ATOM 868 CD PRO A 58 10.701 -21.694 13.290 1.00 0.01 C ATOM 0 HA PRO A 58 12.087 -18.740 12.552 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.770 -19.837 15.088 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.292 -18.953 14.761 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.633 -21.839 15.248 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.152 -20.902 15.238 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.028 -22.729 13.190 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.626 -21.681 13.113 1.00 0.01 H new ATOM 876 N SER A 59 14.099 -21.010 12.035 1.00 0.01 N ATOM 877 CA SER A 59 15.536 -21.305 11.769 1.00 0.01 C ATOM 878 C SER A 59 15.979 -20.560 10.509 1.00 0.01 C ATOM 879 O SER A 59 17.132 -20.214 10.352 1.00 0.01 O ATOM 880 CB SER A 59 15.717 -22.808 11.555 1.00 0.01 C ATOM 881 OG SER A 59 17.105 -23.113 11.522 1.00 0.01 O ATOM 0 H SER A 59 13.439 -21.667 11.619 1.00 0.01 H new ATOM 0 HA SER A 59 16.137 -20.982 12.619 1.00 0.01 H new ATOM 0 HB2 SER A 59 15.230 -23.363 12.357 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.243 -23.114 10.622 1.00 0.01 H new ATOM 0 HG SER A 59 17.225 -24.076 11.386 1.00 0.01 H new ATOM 887 N LYS A 60 15.066 -20.320 9.603 1.00 0.00 N ATOM 888 CA LYS A 60 15.430 -19.607 8.342 1.00 0.00 C ATOM 889 C LYS A 60 15.224 -18.102 8.518 1.00 0.01 C ATOM 890 O LYS A 60 15.787 -17.301 7.797 1.00 0.01 O ATOM 891 CB LYS A 60 14.531 -20.108 7.212 1.00 0.01 C ATOM 892 CG LYS A 60 14.855 -21.572 6.916 1.00 0.01 C ATOM 893 CD LYS A 60 13.955 -22.073 5.785 1.00 0.01 C ATOM 894 CE LYS A 60 14.281 -23.537 5.490 1.00 0.01 C ATOM 895 NZ LYS A 60 15.615 -23.623 4.836 1.00 0.01 N ATOM 0 H LYS A 60 14.085 -20.587 9.682 1.00 0.00 H new ATOM 0 HA LYS A 60 16.476 -19.801 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.483 -20.006 7.494 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.681 -19.503 6.318 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.903 -21.674 6.634 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.705 -22.177 7.810 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.907 -21.972 6.067 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.105 -21.468 4.891 1.00 0.01 H new ATOM 0 HE2 LYS A 60 14.279 -24.115 6.414 1.00 0.01 H new ATOM 0 HE3 LYS A 60 13.517 -23.968 4.842 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 15.718 -24.552 4.379 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 15.700 -22.874 4.120 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 16.361 -23.504 5.551 1.00 0.01 H new ATOM 909 N LEU A 61 14.428 -17.708 9.471 1.00 0.01 N ATOM 910 CA LEU A 61 14.196 -16.251 9.690 1.00 0.01 C ATOM 911 C LEU A 61 15.526 -15.568 10.026 1.00 0.01 C ATOM 912 O LEU A 61 15.797 -14.467 9.590 1.00 0.01 O ATOM 913 CB LEU A 61 13.226 -16.049 10.856 1.00 0.01 C ATOM 914 CG LEU A 61 11.875 -16.721 10.571 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.924 -16.480 11.759 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.254 -16.148 9.284 1.00 0.01 C ATOM 0 H LEU A 61 13.928 -18.329 10.107 1.00 0.01 H new ATOM 0 HA LEU A 61 13.773 -15.818 8.784 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.657 -16.463 11.768 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.077 -14.983 11.029 1.00 0.01 H new ATOM 0 HG LEU A 61 12.031 -17.791 10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.964 -16.956 11.559 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.358 -16.904 12.664 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.776 -15.409 11.895 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.297 -16.634 9.094 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.100 -15.075 9.401 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.925 -16.329 8.444 1.00 0.01 H new ATOM 928 N SER A 62 16.348 -16.209 10.813 1.00 0.00 N ATOM 929 CA SER A 62 17.654 -15.597 11.200 1.00 0.01 C ATOM 930 C SER A 62 18.412 -15.082 9.958 1.00 0.01 C ATOM 931 O SER A 62 18.624 -13.893 9.826 1.00 0.01 O ATOM 932 CB SER A 62 18.491 -16.630 11.973 1.00 0.01 C ATOM 933 OG SER A 62 18.330 -16.403 13.366 1.00 0.01 O ATOM 0 H SER A 62 16.171 -17.133 11.206 1.00 0.00 H new ATOM 0 HA SER A 62 17.469 -14.738 11.845 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.173 -17.641 11.717 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.542 -16.547 11.696 1.00 0.01 H new ATOM 0 HG SER A 62 18.859 -17.058 13.867 1.00 0.01 H new ATOM 939 N PRO A 63 18.830 -15.943 9.055 1.00 0.00 N ATOM 940 CA PRO A 63 19.570 -15.484 7.849 1.00 0.00 C ATOM 941 C PRO A 63 18.995 -14.195 7.238 1.00 0.01 C ATOM 942 O PRO A 63 19.671 -13.188 7.150 1.00 0.00 O ATOM 943 CB PRO A 63 19.416 -16.685 6.892 1.00 0.01 C ATOM 944 CG PRO A 63 18.842 -17.872 7.695 1.00 0.01 C ATOM 945 CD PRO A 63 18.610 -17.413 9.148 1.00 0.01 C ATOM 0 HA PRO A 63 20.604 -15.219 8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.753 -16.430 6.065 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.380 -16.951 6.458 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.906 -18.212 7.251 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.532 -18.715 7.670 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.605 -17.653 9.495 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.307 -17.886 9.840 1.00 0.01 H new ATOM 953 N LYS A 64 17.767 -14.221 6.797 1.00 0.01 N ATOM 954 CA LYS A 64 17.182 -13.000 6.174 1.00 0.01 C ATOM 955 C LYS A 64 16.874 -11.942 7.238 1.00 0.00 C ATOM 956 O LYS A 64 16.910 -10.759 6.964 1.00 0.00 O ATOM 957 CB LYS A 64 15.892 -13.365 5.432 1.00 0.00 C ATOM 958 CG LYS A 64 14.793 -13.715 6.444 1.00 0.01 C ATOM 959 CD LYS A 64 13.628 -14.433 5.748 1.00 0.01 C ATOM 960 CE LYS A 64 12.816 -13.451 4.890 1.00 0.01 C ATOM 961 NZ LYS A 64 12.194 -12.412 5.761 1.00 0.00 N ATOM 0 H LYS A 64 17.147 -15.030 6.841 1.00 0.01 H new ATOM 0 HA LYS A 64 17.908 -12.590 5.472 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.572 -12.531 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.070 -14.211 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.203 -14.351 7.229 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.432 -12.806 6.926 1.00 0.01 H new ATOM 0 HD2 LYS A 64 14.013 -15.238 5.122 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.980 -14.892 6.494 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.463 -12.979 4.151 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.043 -13.988 4.340 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.775 -11.667 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.452 -12.848 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.921 -11.996 6.378 1.00 0.00 H new ATOM 975 N ALA A 65 16.562 -12.339 8.443 1.00 0.00 N ATOM 976 CA ALA A 65 16.251 -11.319 9.480 1.00 0.01 C ATOM 977 C ALA A 65 17.444 -10.377 9.628 1.00 0.01 C ATOM 978 O ALA A 65 17.301 -9.170 9.596 1.00 0.01 O ATOM 979 CB ALA A 65 15.976 -12.009 10.817 1.00 0.01 C ATOM 0 H ALA A 65 16.510 -13.311 8.749 1.00 0.00 H new ATOM 0 HA ALA A 65 15.369 -10.753 9.182 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.749 -11.258 11.574 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.128 -12.685 10.710 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.856 -12.576 11.121 1.00 0.01 H new ATOM 985 N LYS A 66 18.622 -10.914 9.787 1.00 0.01 N ATOM 986 CA LYS A 66 19.819 -10.041 9.933 1.00 0.00 C ATOM 987 C LYS A 66 20.027 -9.232 8.651 1.00 0.01 C ATOM 988 O LYS A 66 20.295 -8.048 8.694 1.00 0.01 O ATOM 989 CB LYS A 66 21.049 -10.906 10.202 1.00 0.01 C ATOM 990 CG LYS A 66 20.942 -11.515 11.603 1.00 0.01 C ATOM 991 CD LYS A 66 22.173 -12.381 11.878 1.00 0.01 C ATOM 992 CE LYS A 66 22.067 -12.990 13.277 1.00 0.00 C ATOM 993 NZ LYS A 66 20.811 -13.786 13.375 1.00 0.00 N ATOM 0 H LYS A 66 18.807 -11.917 9.822 1.00 0.01 H new ATOM 0 HA LYS A 66 19.668 -9.356 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.123 -11.696 9.454 1.00 0.01 H new ATOM 0 HB3 LYS A 66 21.955 -10.305 10.122 1.00 0.01 H new ATOM 0 HG2 LYS A 66 20.866 -10.725 12.350 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.036 -12.116 11.682 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.249 -13.171 11.131 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.079 -11.780 11.799 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.930 -13.625 13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.071 -12.202 14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.907 -14.494 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.015 -13.153 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.633 -14.267 12.470 1.00 0.00 H new ATOM 1007 N LYS A 67 19.903 -9.853 7.509 1.00 0.00 N ATOM 1008 CA LYS A 67 20.097 -9.097 6.239 1.00 0.00 C ATOM 1009 C LYS A 67 19.034 -8.005 6.140 1.00 0.01 C ATOM 1010 O LYS A 67 19.334 -6.851 5.905 1.00 0.01 O ATOM 1011 CB LYS A 67 19.967 -10.049 5.051 1.00 0.00 C ATOM 1012 CG LYS A 67 21.124 -11.048 5.078 1.00 0.01 C ATOM 1013 CD LYS A 67 21.004 -12.006 3.891 1.00 0.00 C ATOM 1014 CE LYS A 67 22.163 -13.002 3.925 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.169 -13.801 2.668 1.00 0.01 N ATOM 0 H LYS A 67 19.678 -10.842 7.401 1.00 0.00 H new ATOM 0 HA LYS A 67 21.089 -8.645 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.014 -10.577 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.977 -9.487 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.076 -10.518 5.036 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.112 -11.608 6.013 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.053 -12.536 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.017 -11.447 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.109 -12.472 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.064 -13.662 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.958 -14.479 2.691 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 21.271 -14.318 2.581 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 22.283 -13.165 1.853 1.00 0.01 H new ATOM 1029 N ILE A 68 17.791 -8.355 6.336 1.00 0.01 N ATOM 1030 CA ILE A 68 16.717 -7.329 6.273 1.00 0.00 C ATOM 1031 C ILE A 68 16.987 -6.284 7.352 1.00 0.01 C ATOM 1032 O ILE A 68 16.995 -5.095 7.103 1.00 0.00 O ATOM 1033 CB ILE A 68 15.362 -7.990 6.527 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.042 -8.946 5.377 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.277 -6.915 6.614 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.844 -9.818 5.757 1.00 0.00 C ATOM 0 H ILE A 68 17.476 -9.304 6.536 1.00 0.01 H new ATOM 0 HA ILE A 68 16.703 -6.859 5.290 1.00 0.00 H new ATOM 0 HB ILE A 68 15.397 -8.545 7.464 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.822 -8.381 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.907 -9.573 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.311 -7.387 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.506 -6.232 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.239 -6.359 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.616 -10.500 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.082 -10.393 6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.980 -9.183 5.953 1.00 0.00 H new ATOM 1048 N TYR A 69 17.218 -6.735 8.551 1.00 0.00 N ATOM 1049 CA TYR A 69 17.503 -5.803 9.671 1.00 0.01 C ATOM 1050 C TYR A 69 18.757 -4.990 9.351 1.00 0.00 C ATOM 1051 O TYR A 69 18.811 -3.795 9.567 1.00 0.01 O ATOM 1052 CB TYR A 69 17.737 -6.616 10.944 1.00 0.01 C ATOM 1053 CG TYR A 69 18.044 -5.687 12.091 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.343 -5.195 12.256 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.035 -5.319 12.989 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.636 -4.333 13.317 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.330 -4.458 14.052 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.629 -3.964 14.215 1.00 0.01 C ATOM 1059 OH TYR A 69 18.917 -3.111 15.260 1.00 0.01 O ATOM 0 H TYR A 69 17.221 -7.723 8.804 1.00 0.00 H new ATOM 0 HA TYR A 69 16.660 -5.126 9.812 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.854 -7.213 11.173 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.563 -7.312 10.796 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.120 -5.481 11.563 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.032 -5.698 12.862 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.639 -3.952 13.443 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.554 -4.174 14.748 1.00 0.01 H new ATOM 0 HH TYR A 69 18.120 -2.587 15.484 1.00 0.01 H new ATOM 1069 N ASN A 70 19.773 -5.633 8.846 1.00 0.01 N ATOM 1070 CA ASN A 70 21.030 -4.907 8.521 1.00 0.00 C ATOM 1071 C ASN A 70 20.760 -3.843 7.453 1.00 0.00 C ATOM 1072 O ASN A 70 21.304 -2.762 7.490 1.00 0.01 O ATOM 1073 CB ASN A 70 22.072 -5.899 7.993 1.00 0.00 C ATOM 1074 CG ASN A 70 22.552 -6.813 9.128 1.00 0.01 C ATOM 1075 OD1 ASN A 70 23.057 -7.890 8.878 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.417 -6.435 10.372 1.00 0.01 N ATOM 0 H ASN A 70 19.786 -6.633 8.644 1.00 0.01 H new ATOM 0 HA ASN A 70 21.404 -4.424 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.641 -6.498 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.918 -5.358 7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 70 22.735 -7.043 11.127 1.00 0.01 H new ATOM 0 HD22 ASN A 70 21.994 -5.532 10.588 1.00 0.01 H new ATOM 1083 N GLU A 71 19.951 -4.150 6.479 1.00 0.00 N ATOM 1084 CA GLU A 71 19.676 -3.159 5.399 1.00 0.00 C ATOM 1085 C GLU A 71 18.522 -2.208 5.769 1.00 0.00 C ATOM 1086 O GLU A 71 18.611 -1.015 5.564 1.00 0.00 O ATOM 1087 CB GLU A 71 19.315 -3.915 4.121 1.00 0.00 C ATOM 1088 CG GLU A 71 20.560 -4.620 3.580 1.00 0.00 C ATOM 1089 CD GLU A 71 20.204 -5.379 2.301 1.00 0.00 C ATOM 1090 OE1 GLU A 71 19.025 -5.483 2.006 1.00 0.00 O ATOM 1091 OE2 GLU A 71 21.116 -5.843 1.637 1.00 0.00 O ATOM 0 H GLU A 71 19.468 -5.043 6.383 1.00 0.00 H new ATOM 0 HA GLU A 71 20.571 -2.554 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.531 -4.644 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.922 -3.224 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.344 -3.890 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.953 -5.310 4.327 1.00 0.00 H new ATOM 1098 N PHE A 72 17.420 -2.725 6.252 1.00 0.00 N ATOM 1099 CA PHE A 72 16.244 -1.843 6.565 1.00 0.00 C ATOM 1100 C PHE A 72 16.277 -1.240 7.983 1.00 0.00 C ATOM 1101 O PHE A 72 15.943 -0.087 8.167 1.00 0.00 O ATOM 1102 CB PHE A 72 14.960 -2.666 6.427 1.00 0.00 C ATOM 1103 CG PHE A 72 14.696 -2.972 4.971 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.304 -4.077 4.369 1.00 0.00 C ATOM 1105 CD2 PHE A 72 13.840 -2.151 4.226 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.056 -4.366 3.021 1.00 0.00 C ATOM 1107 CE2 PHE A 72 13.591 -2.440 2.879 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.199 -3.547 2.276 1.00 0.00 C ATOM 0 H PHE A 72 17.280 -3.717 6.444 1.00 0.00 H new ATOM 0 HA PHE A 72 16.283 -1.012 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.051 -3.594 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.119 -2.117 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.965 -4.709 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.372 -1.295 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.526 -5.220 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.929 -1.808 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.007 -3.769 1.237 1.00 0.00 H new ATOM 1118 N ILE A 73 16.597 -2.009 8.994 1.00 0.00 N ATOM 1119 CA ILE A 73 16.546 -1.458 10.392 1.00 0.00 C ATOM 1120 C ILE A 73 17.905 -0.929 10.870 1.00 0.00 C ATOM 1121 O ILE A 73 17.986 -0.276 11.891 1.00 0.01 O ATOM 1122 CB ILE A 73 16.103 -2.573 11.341 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.736 -3.130 10.901 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.020 -2.036 12.775 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.662 -2.031 10.892 1.00 0.00 C ATOM 0 H ILE A 73 16.889 -2.984 8.919 1.00 0.00 H new ATOM 0 HA ILE A 73 15.845 -0.623 10.390 1.00 0.00 H new ATOM 0 HB ILE A 73 16.836 -3.379 11.308 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.822 -3.566 9.906 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.434 -3.932 11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.704 -2.835 13.445 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.999 -1.670 13.084 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.298 -1.221 12.817 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.709 -2.456 10.577 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.560 -1.614 11.894 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.954 -1.242 10.199 1.00 0.00 H new ATOM 1137 N SER A 74 18.971 -1.192 10.174 1.00 0.01 N ATOM 1138 CA SER A 74 20.291 -0.680 10.651 1.00 0.00 C ATOM 1139 C SER A 74 20.264 0.844 10.733 1.00 0.00 C ATOM 1140 O SER A 74 19.839 1.515 9.814 1.00 0.01 O ATOM 1141 CB SER A 74 21.393 -1.093 9.685 1.00 0.00 C ATOM 1142 OG SER A 74 22.614 -0.483 10.080 1.00 0.01 O ATOM 0 H SER A 74 18.992 -1.730 9.308 1.00 0.01 H new ATOM 0 HA SER A 74 20.485 -1.101 11.637 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.500 -2.178 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.134 -0.793 8.670 1.00 0.00 H new ATOM 0 HG SER A 74 23.327 -0.748 9.462 1.00 0.01 H new ATOM 1148 N VAL A 75 20.740 1.400 11.813 1.00 0.01 N ATOM 1149 CA VAL A 75 20.764 2.881 11.921 1.00 0.01 C ATOM 1150 C VAL A 75 21.623 3.416 10.773 1.00 0.00 C ATOM 1151 O VAL A 75 21.553 4.572 10.407 1.00 0.00 O ATOM 1152 CB VAL A 75 21.354 3.298 13.273 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.502 2.708 14.400 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.795 2.786 13.394 1.00 0.00 C ATOM 0 H VAL A 75 21.110 0.895 12.618 1.00 0.01 H new ATOM 0 HA VAL A 75 19.755 3.288 11.857 1.00 0.01 H new ATOM 0 HB VAL A 75 21.356 4.386 13.347 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.919 3.002 15.363 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.481 3.080 14.317 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.499 1.621 14.323 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.208 3.086 14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.802 1.699 13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.400 3.209 12.592 1.00 0.00 H new ATOM 1164 N GLN A 76 22.424 2.555 10.192 1.00 0.01 N ATOM 1165 CA GLN A 76 23.291 2.961 9.045 1.00 0.01 C ATOM 1166 C GLN A 76 22.602 2.533 7.749 1.00 0.01 C ATOM 1167 O GLN A 76 23.124 2.700 6.665 1.00 0.01 O ATOM 1168 CB GLN A 76 24.637 2.234 9.130 1.00 0.00 C ATOM 1169 CG GLN A 76 25.426 2.718 10.346 1.00 0.01 C ATOM 1170 CD GLN A 76 26.736 1.933 10.440 1.00 0.01 C ATOM 1171 OE1 GLN A 76 26.858 0.864 9.874 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.729 2.420 11.134 1.00 0.01 N ATOM 0 H GLN A 76 22.514 1.577 10.468 1.00 0.01 H new ATOM 0 HA GLN A 76 23.451 4.039 9.071 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.473 1.159 9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.212 2.411 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.633 3.785 10.259 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.839 2.580 11.254 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.628 3.317 11.609 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.606 1.904 11.201 1.00 0.01 H new ATOM 1181 N ALA A 77 21.436 1.961 7.865 1.00 0.01 N ATOM 1182 CA ALA A 77 20.694 1.490 6.662 1.00 0.00 C ATOM 1183 C ALA A 77 20.757 2.536 5.547 1.00 0.01 C ATOM 1184 O ALA A 77 20.518 3.708 5.763 1.00 0.00 O ATOM 1185 CB ALA A 77 19.232 1.244 7.048 1.00 0.00 C ATOM 0 H ALA A 77 20.960 1.798 8.752 1.00 0.01 H new ATOM 0 HA ALA A 77 21.150 0.569 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.678 0.899 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.185 0.487 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.791 2.171 7.414 1.00 0.00 H new ATOM 1191 N THR A 78 21.060 2.112 4.350 1.00 0.01 N ATOM 1192 CA THR A 78 21.119 3.068 3.210 1.00 0.01 C ATOM 1193 C THR A 78 19.695 3.518 2.886 1.00 0.01 C ATOM 1194 O THR A 78 19.475 4.543 2.271 1.00 0.00 O ATOM 1195 CB THR A 78 21.729 2.369 1.992 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.830 1.375 1.520 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.054 1.716 2.385 1.00 0.01 C ATOM 0 H THR A 78 21.270 1.142 4.113 1.00 0.01 H new ATOM 0 HA THR A 78 21.733 3.930 3.469 1.00 0.01 H new ATOM 0 HB THR A 78 21.908 3.101 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.218 0.927 0.739 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.486 1.219 1.517 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.743 2.480 2.747 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.879 0.983 3.173 1.00 0.01 H new ATOM 1205 N LYS A 79 18.724 2.750 3.315 1.00 0.00 N ATOM 1206 CA LYS A 79 17.289 3.094 3.068 1.00 0.00 C ATOM 1207 C LYS A 79 16.536 3.003 4.396 1.00 0.00 C ATOM 1208 O LYS A 79 15.816 2.062 4.661 1.00 0.00 O ATOM 1209 CB LYS A 79 16.685 2.118 2.045 1.00 0.00 C ATOM 1210 CG LYS A 79 17.071 0.669 2.383 1.00 0.00 C ATOM 1211 CD LYS A 79 16.690 -0.248 1.217 1.00 0.01 C ATOM 1212 CE LYS A 79 15.171 -0.241 1.019 1.00 0.00 C ATOM 1213 NZ LYS A 79 14.768 -1.449 0.242 1.00 0.00 N ATOM 0 H LYS A 79 18.868 1.884 3.835 1.00 0.00 H new ATOM 0 HA LYS A 79 17.208 4.104 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.600 2.218 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.036 2.369 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.142 0.603 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.562 0.349 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.185 0.085 0.305 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.035 -1.263 1.414 1.00 0.01 H new ATOM 0 HE2 LYS A 79 14.667 -0.232 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.866 0.663 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.171 -1.163 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.617 -1.932 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.234 -2.096 0.857 1.00 0.00 H new ATOM 1227 N GLU A 80 16.718 3.976 5.246 1.00 0.00 N ATOM 1228 CA GLU A 80 16.042 3.959 6.573 1.00 0.00 C ATOM 1229 C GLU A 80 14.526 3.935 6.412 1.00 0.00 C ATOM 1230 O GLU A 80 13.965 4.551 5.528 1.00 0.00 O ATOM 1231 CB GLU A 80 16.446 5.205 7.369 1.00 0.00 C ATOM 1232 CG GLU A 80 17.842 5.005 7.960 1.00 0.00 C ATOM 1233 CD GLU A 80 17.764 4.042 9.147 1.00 0.01 C ATOM 1234 OE1 GLU A 80 16.662 3.737 9.570 1.00 0.01 O ATOM 1235 OE2 GLU A 80 18.811 3.628 9.615 1.00 0.00 O ATOM 0 H GLU A 80 17.311 4.788 5.076 1.00 0.00 H new ATOM 0 HA GLU A 80 16.350 3.059 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.436 6.082 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.726 5.389 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.516 4.608 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.252 5.962 8.282 1.00 0.00 H new ATOM 1242 N VAL A 81 13.868 3.229 7.290 1.00 0.00 N ATOM 1243 CA VAL A 81 12.375 3.141 7.257 1.00 0.00 C ATOM 1244 C VAL A 81 11.825 3.851 8.494 1.00 0.00 C ATOM 1245 O VAL A 81 12.404 3.790 9.559 1.00 0.00 O ATOM 1246 CB VAL A 81 11.945 1.670 7.282 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.148 1.049 5.898 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.790 0.910 8.305 1.00 0.00 C ATOM 0 H VAL A 81 14.307 2.699 8.043 1.00 0.00 H new ATOM 0 HA VAL A 81 11.992 3.608 6.350 1.00 0.00 H new ATOM 0 HB VAL A 81 10.892 1.608 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.841 0.003 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.547 1.588 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.200 1.113 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.485 -0.136 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.842 0.976 8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.646 1.347 9.293 1.00 0.00 H new ATOM 1258 N ASN A 82 10.722 4.531 8.367 1.00 0.00 N ATOM 1259 CA ASN A 82 10.162 5.242 9.550 1.00 0.00 C ATOM 1260 C ASN A 82 9.558 4.221 10.516 1.00 0.00 C ATOM 1261 O ASN A 82 8.579 3.568 10.216 1.00 0.00 O ATOM 1262 CB ASN A 82 9.087 6.230 9.090 1.00 0.00 C ATOM 1263 CG ASN A 82 8.233 5.585 7.996 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.021 4.389 8.001 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.733 6.333 7.051 1.00 0.00 N ATOM 0 H ASN A 82 10.187 4.626 7.504 1.00 0.00 H new ATOM 0 HA ASN A 82 10.954 5.791 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.459 6.519 9.933 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.553 7.140 8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.164 5.913 6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.911 7.337 7.047 1.00 0.00 H new ATOM 1272 N LEU A 83 10.147 4.077 11.675 1.00 0.00 N ATOM 1273 CA LEU A 83 9.628 3.099 12.680 1.00 0.00 C ATOM 1274 C LEU A 83 9.818 3.678 14.081 1.00 0.00 C ATOM 1275 O LEU A 83 10.513 4.655 14.271 1.00 0.00 O ATOM 1276 CB LEU A 83 10.412 1.781 12.582 1.00 0.01 C ATOM 1277 CG LEU A 83 10.097 1.054 11.264 1.00 0.00 C ATOM 1278 CD1 LEU A 83 11.043 -0.142 11.114 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.636 0.562 11.258 1.00 0.00 C ATOM 0 H LEU A 83 10.972 4.599 11.971 1.00 0.00 H new ATOM 0 HA LEU A 83 8.572 2.910 12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.481 1.983 12.644 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.159 1.139 13.426 1.00 0.01 H new ATOM 0 HG LEU A 83 10.235 1.745 10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.826 -0.663 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.075 0.209 11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.902 -0.825 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.428 0.050 10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.480 -0.126 12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.965 1.414 11.362 1.00 0.00 H new ATOM 1291 N ASP A 84 9.210 3.078 15.065 1.00 0.01 N ATOM 1292 CA ASP A 84 9.362 3.593 16.453 1.00 0.00 C ATOM 1293 C ASP A 84 10.789 3.318 16.926 1.00 0.00 C ATOM 1294 O ASP A 84 11.450 2.419 16.444 1.00 0.00 O ATOM 1295 CB ASP A 84 8.369 2.877 17.372 1.00 0.00 C ATOM 1296 CG ASP A 84 8.319 3.578 18.732 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.162 4.424 18.972 1.00 0.00 O ATOM 1298 OD2 ASP A 84 7.435 3.257 19.507 1.00 0.01 O ATOM 0 H ASP A 84 8.615 2.255 14.968 1.00 0.01 H new ATOM 0 HA ASP A 84 9.165 4.665 16.478 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.378 2.873 16.918 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.665 1.836 17.500 1.00 0.00 H new ATOM 1303 N SER A 85 11.274 4.085 17.861 1.00 0.00 N ATOM 1304 CA SER A 85 12.660 3.865 18.356 1.00 0.01 C ATOM 1305 C SER A 85 12.727 2.532 19.100 1.00 0.01 C ATOM 1306 O SER A 85 13.750 1.877 19.131 1.00 0.00 O ATOM 1307 CB SER A 85 13.045 5.001 19.306 1.00 0.01 C ATOM 1308 OG SER A 85 13.001 6.235 18.600 1.00 0.00 O ATOM 0 H SER A 85 10.771 4.854 18.303 1.00 0.00 H new ATOM 0 HA SER A 85 13.351 3.846 17.513 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.362 5.029 20.155 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.044 4.833 19.707 1.00 0.01 H new ATOM 0 HG SER A 85 13.245 6.967 19.205 1.00 0.00 H new ATOM 1314 N CYS A 86 11.642 2.121 19.701 1.00 0.01 N ATOM 1315 CA CYS A 86 11.642 0.830 20.445 1.00 0.01 C ATOM 1316 C CYS A 86 11.372 -0.324 19.477 1.00 0.00 C ATOM 1317 O CYS A 86 11.921 -1.399 19.614 1.00 0.01 O ATOM 1318 CB CYS A 86 10.550 0.861 21.516 1.00 0.01 C ATOM 1319 SG CYS A 86 10.708 2.377 22.491 1.00 0.01 S ATOM 0 H CYS A 86 10.755 2.625 19.708 1.00 0.01 H new ATOM 0 HA CYS A 86 12.614 0.685 20.917 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.566 0.817 21.049 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.635 -0.012 22.164 1.00 0.01 H new ATOM 0 HG CYS A 86 9.780 2.407 23.400 1.00 0.01 H new ATOM 1325 N THR A 87 10.536 -0.116 18.495 1.00 0.00 N ATOM 1326 CA THR A 87 10.249 -1.215 17.530 1.00 0.00 C ATOM 1327 C THR A 87 11.544 -1.633 16.838 1.00 0.00 C ATOM 1328 O THR A 87 11.836 -2.805 16.703 1.00 0.01 O ATOM 1329 CB THR A 87 9.244 -0.742 16.477 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.038 -0.359 17.119 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.965 -1.881 15.494 1.00 0.00 C ATOM 0 H THR A 87 10.043 0.760 18.321 1.00 0.00 H new ATOM 0 HA THR A 87 9.828 -2.062 18.071 1.00 0.00 H new ATOM 0 HB THR A 87 9.653 0.111 15.935 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.334 -1.007 16.907 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.249 -1.546 14.743 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.894 -2.175 15.005 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.553 -2.734 16.033 1.00 0.00 H new ATOM 1339 N ARG A 88 12.330 -0.687 16.398 1.00 0.01 N ATOM 1340 CA ARG A 88 13.603 -1.051 15.722 1.00 0.00 C ATOM 1341 C ARG A 88 14.462 -1.849 16.699 1.00 0.00 C ATOM 1342 O ARG A 88 14.952 -2.915 16.386 1.00 0.01 O ATOM 1343 CB ARG A 88 14.348 0.222 15.312 1.00 0.00 C ATOM 1344 CG ARG A 88 13.594 0.909 14.175 1.00 0.00 C ATOM 1345 CD ARG A 88 14.420 2.080 13.640 1.00 0.00 C ATOM 1346 NE ARG A 88 14.510 3.141 14.682 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.390 4.098 14.560 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.187 4.121 13.527 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.471 5.032 15.469 1.00 0.01 N ATOM 0 H ARG A 88 12.146 0.313 16.478 1.00 0.01 H new ATOM 0 HA ARG A 88 13.395 -1.646 14.833 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.435 0.896 16.164 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.362 -0.023 14.995 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.396 0.196 13.375 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.627 1.266 14.531 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.418 1.739 13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.960 2.481 12.737 1.00 0.00 H new ATOM 0 HE ARG A 88 13.886 3.120 15.489 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.122 3.392 12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.875 4.868 13.430 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.847 5.014 16.275 1.00 0.01 H new ATOM 0 HH22 ARG A 88 16.159 5.779 15.373 1.00 0.01 H new ATOM 1363 N GLU A 89 14.632 -1.344 17.890 1.00 0.01 N ATOM 1364 CA GLU A 89 15.442 -2.077 18.896 1.00 0.01 C ATOM 1365 C GLU A 89 14.767 -3.416 19.191 1.00 0.01 C ATOM 1366 O GLU A 89 15.412 -4.438 19.326 1.00 0.00 O ATOM 1367 CB GLU A 89 15.521 -1.252 20.181 1.00 0.01 C ATOM 1368 CG GLU A 89 16.390 -0.019 19.938 1.00 0.01 C ATOM 1369 CD GLU A 89 16.330 0.898 21.160 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.649 0.544 22.109 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.969 1.936 21.129 1.00 0.01 O ATOM 0 H GLU A 89 14.244 -0.456 18.207 1.00 0.01 H new ATOM 0 HA GLU A 89 16.448 -2.246 18.513 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.522 -0.950 20.495 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.941 -1.853 20.987 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.420 -0.319 19.746 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.043 0.514 19.053 1.00 0.01 H new ATOM 1378 N GLU A 90 13.464 -3.411 19.288 1.00 0.00 N ATOM 1379 CA GLU A 90 12.729 -4.674 19.570 1.00 0.01 C ATOM 1380 C GLU A 90 13.013 -5.678 18.458 1.00 0.01 C ATOM 1381 O GLU A 90 13.236 -6.846 18.708 1.00 0.01 O ATOM 1382 CB GLU A 90 11.229 -4.393 19.641 1.00 0.01 C ATOM 1383 CG GLU A 90 10.482 -5.683 19.988 1.00 0.00 C ATOM 1384 CD GLU A 90 8.993 -5.382 20.151 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.641 -4.213 20.153 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.227 -6.325 20.270 1.00 0.01 O ATOM 0 H GLU A 90 12.877 -2.583 19.183 1.00 0.00 H new ATOM 0 HA GLU A 90 13.059 -5.083 20.525 1.00 0.01 H new ATOM 0 HB2 GLU A 90 11.027 -3.630 20.393 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.876 -4.002 18.687 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.630 -6.424 19.202 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.880 -6.110 20.908 1.00 0.00 H new ATOM 1393 N THR A 91 13.014 -5.240 17.228 1.00 0.01 N ATOM 1394 CA THR A 91 13.292 -6.186 16.120 1.00 0.01 C ATOM 1395 C THR A 91 14.704 -6.740 16.313 1.00 0.01 C ATOM 1396 O THR A 91 14.949 -7.914 16.127 1.00 0.01 O ATOM 1397 CB THR A 91 13.193 -5.448 14.779 1.00 0.01 C ATOM 1398 OG1 THR A 91 11.905 -4.855 14.668 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.390 -6.431 13.620 1.00 0.01 C ATOM 0 H THR A 91 12.835 -4.276 16.948 1.00 0.01 H new ATOM 0 HA THR A 91 12.568 -7.001 16.121 1.00 0.01 H new ATOM 0 HB THR A 91 13.967 -4.682 14.736 1.00 0.01 H new ATOM 0 HG1 THR A 91 11.836 -4.104 15.294 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.318 -5.896 12.673 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.373 -6.896 13.700 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.620 -7.201 13.661 1.00 0.01 H new ATOM 1407 N SER A 92 15.634 -5.903 16.695 1.00 0.01 N ATOM 1408 CA SER A 92 17.030 -6.380 16.907 1.00 0.01 C ATOM 1409 C SER A 92 17.037 -7.459 17.990 1.00 0.01 C ATOM 1410 O SER A 92 17.623 -8.510 17.831 1.00 0.00 O ATOM 1411 CB SER A 92 17.905 -5.212 17.359 1.00 0.01 C ATOM 1412 OG SER A 92 17.709 -4.992 18.750 1.00 0.01 O ATOM 0 H SER A 92 15.485 -4.909 16.869 1.00 0.01 H new ATOM 0 HA SER A 92 17.419 -6.790 15.975 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.954 -5.428 17.157 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.651 -4.313 16.797 1.00 0.01 H new ATOM 0 HG SER A 92 16.923 -4.423 18.884 1.00 0.01 H new ATOM 1418 N ARG A 93 16.379 -7.208 19.089 1.00 0.01 N ATOM 1419 CA ARG A 93 16.339 -8.221 20.178 1.00 0.01 C ATOM 1420 C ARG A 93 15.628 -9.466 19.655 1.00 0.01 C ATOM 1421 O ARG A 93 16.017 -10.584 19.932 1.00 0.01 O ATOM 1422 CB ARG A 93 15.570 -7.658 21.377 1.00 0.00 C ATOM 1423 CG ARG A 93 16.390 -6.549 22.041 1.00 0.01 C ATOM 1424 CD ARG A 93 15.616 -5.992 23.237 1.00 0.01 C ATOM 1425 NE ARG A 93 14.371 -5.330 22.754 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.409 -5.050 23.591 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.538 -5.344 24.854 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.318 -4.477 23.160 1.00 0.01 N ATOM 0 H ARG A 93 15.868 -6.346 19.278 1.00 0.01 H new ATOM 0 HA ARG A 93 17.352 -8.471 20.492 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.606 -7.266 21.052 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.365 -8.452 22.095 1.00 0.00 H new ATOM 0 HG2 ARG A 93 17.354 -6.940 22.367 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.595 -5.754 21.324 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.369 -6.796 23.931 1.00 0.01 H new ATOM 0 HD3 ARG A 93 16.233 -5.278 23.783 1.00 0.01 H new ATOM 0 HE ARG A 93 14.270 -5.095 21.767 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.391 -5.793 25.189 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.786 -5.125 25.508 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.218 -4.249 22.171 1.00 0.01 H new ATOM 0 HH22 ARG A 93 11.565 -4.257 23.812 1.00 0.01 H new ATOM 1442 N ASN A 94 14.587 -9.273 18.897 1.00 0.01 N ATOM 1443 CA ASN A 94 13.837 -10.429 18.342 1.00 0.01 C ATOM 1444 C ASN A 94 14.758 -11.255 17.445 1.00 0.01 C ATOM 1445 O ASN A 94 14.687 -12.466 17.423 1.00 0.01 O ATOM 1446 CB ASN A 94 12.647 -9.927 17.524 1.00 0.01 C ATOM 1447 CG ASN A 94 11.614 -9.274 18.449 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.847 -8.435 18.020 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.558 -9.623 19.706 1.00 0.01 N ATOM 0 H ASN A 94 14.222 -8.357 18.637 1.00 0.01 H new ATOM 0 HA ASN A 94 13.476 -11.049 19.162 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.985 -9.208 16.778 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.191 -10.756 16.984 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.872 -9.192 20.325 1.00 0.01 H new ATOM 0 HD22 ASN A 94 12.201 -10.327 20.069 1.00 0.01 H new ATOM 1456 N MET A 95 15.619 -10.619 16.698 1.00 0.01 N ATOM 1457 CA MET A 95 16.524 -11.396 15.807 1.00 0.01 C ATOM 1458 C MET A 95 17.327 -12.382 16.653 1.00 0.01 C ATOM 1459 O MET A 95 17.684 -13.448 16.196 1.00 0.01 O ATOM 1460 CB MET A 95 17.478 -10.458 15.054 1.00 0.01 C ATOM 1461 CG MET A 95 16.701 -9.619 14.020 1.00 0.01 C ATOM 1462 SD MET A 95 17.773 -9.249 12.612 1.00 0.01 S ATOM 1463 CE MET A 95 19.058 -8.356 13.515 1.00 0.01 C ATOM 0 H MET A 95 15.734 -9.606 16.666 1.00 0.01 H new ATOM 0 HA MET A 95 15.926 -11.936 15.073 1.00 0.01 H new ATOM 0 HB2 MET A 95 17.984 -9.799 15.760 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.251 -11.041 14.552 1.00 0.01 H new ATOM 0 HG2 MET A 95 15.818 -10.163 13.685 1.00 0.01 H new ATOM 0 HG3 MET A 95 16.351 -8.693 14.477 1.00 0.01 H new ATOM 0 HE1 MET A 95 19.737 -7.881 12.807 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.598 -7.593 14.143 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.615 -9.054 14.140 1.00 0.01 H new ATOM 1473 N LEU A 96 17.597 -12.053 17.886 1.00 0.01 N ATOM 1474 CA LEU A 96 18.348 -13.005 18.750 1.00 0.01 C ATOM 1475 C LEU A 96 17.463 -14.239 18.931 1.00 0.01 C ATOM 1476 O LEU A 96 17.930 -15.344 19.128 1.00 0.01 O ATOM 1477 CB LEU A 96 18.627 -12.365 20.111 1.00 0.01 C ATOM 1478 CG LEU A 96 19.299 -11.001 19.920 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.578 -10.384 21.293 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.617 -11.168 19.151 1.00 0.01 C ATOM 0 H LEU A 96 17.332 -11.173 18.329 1.00 0.01 H new ATOM 0 HA LEU A 96 19.303 -13.271 18.296 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.695 -12.247 20.664 1.00 0.01 H new ATOM 0 HB3 LEU A 96 19.269 -13.016 20.704 1.00 0.01 H new ATOM 0 HG LEU A 96 18.639 -10.348 19.349 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.056 -9.413 21.165 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.639 -10.258 21.833 1.00 0.01 H new ATOM 0 HD13 LEU A 96 20.237 -11.041 21.860 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.088 -10.194 19.020 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.285 -11.821 19.712 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.415 -11.608 18.174 1.00 0.01 H new ATOM 1492 N GLU A 97 16.177 -14.035 18.838 1.00 0.01 N ATOM 1493 CA GLU A 97 15.192 -15.151 18.966 1.00 0.01 C ATOM 1494 C GLU A 97 14.176 -14.982 17.830 1.00 0.01 C ATOM 1495 O GLU A 97 13.104 -14.449 18.031 1.00 0.01 O ATOM 1496 CB GLU A 97 14.469 -15.042 20.311 1.00 0.01 C ATOM 1497 CG GLU A 97 15.481 -15.182 21.449 1.00 0.01 C ATOM 1498 CD GLU A 97 14.737 -15.306 22.779 1.00 0.01 C ATOM 1499 OE1 GLU A 97 13.876 -16.164 22.877 1.00 0.01 O ATOM 1500 OE2 GLU A 97 15.041 -14.540 23.680 1.00 0.01 O ATOM 0 H GLU A 97 15.757 -13.120 18.675 1.00 0.01 H new ATOM 0 HA GLU A 97 15.688 -16.120 18.912 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.956 -14.083 20.383 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.708 -15.818 20.390 1.00 0.01 H new ATOM 0 HG2 GLU A 97 16.108 -16.059 21.287 1.00 0.01 H new ATOM 0 HG3 GLU A 97 16.143 -14.317 21.470 1.00 0.01 H new ATOM 1507 N PRO A 98 14.527 -15.383 16.627 1.00 0.01 N ATOM 1508 CA PRO A 98 13.620 -15.202 15.459 1.00 0.01 C ATOM 1509 C PRO A 98 12.251 -15.870 15.649 1.00 0.01 C ATOM 1510 O PRO A 98 12.145 -17.069 15.810 1.00 0.01 O ATOM 1511 CB PRO A 98 14.426 -15.840 14.307 1.00 0.00 C ATOM 1512 CG PRO A 98 15.855 -16.103 14.813 1.00 0.01 C ATOM 1513 CD PRO A 98 15.832 -16.048 16.347 1.00 0.01 C ATOM 0 HA PRO A 98 13.363 -14.157 15.285 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.959 -16.771 13.985 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.444 -15.177 13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.207 -17.076 14.472 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.544 -15.358 14.415 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.884 -17.043 16.789 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.671 -15.478 16.745 1.00 0.01 H new ATOM 1521 N THR A 99 11.205 -15.084 15.619 1.00 0.01 N ATOM 1522 CA THR A 99 9.820 -15.624 15.781 1.00 0.01 C ATOM 1523 C THR A 99 8.950 -15.070 14.654 1.00 0.01 C ATOM 1524 O THR A 99 9.339 -14.157 13.956 1.00 0.01 O ATOM 1525 CB THR A 99 9.247 -15.179 17.130 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.301 -13.762 17.219 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.061 -15.797 18.265 1.00 0.00 C ATOM 0 H THR A 99 11.253 -14.074 15.487 1.00 0.01 H new ATOM 0 HA THR A 99 9.839 -16.713 15.744 1.00 0.01 H new ATOM 0 HB THR A 99 8.212 -15.510 17.212 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.401 -13.410 17.383 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.650 -15.478 19.223 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.016 -16.884 18.195 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.098 -15.471 18.188 1.00 0.00 H new ATOM 1535 N ILE A 100 7.778 -15.606 14.469 1.00 0.00 N ATOM 1536 CA ILE A 100 6.897 -15.094 13.383 1.00 0.01 C ATOM 1537 C ILE A 100 6.324 -13.734 13.797 1.00 0.01 C ATOM 1538 O ILE A 100 5.858 -12.969 12.978 1.00 0.01 O ATOM 1539 CB ILE A 100 5.763 -16.097 13.123 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.030 -15.727 11.822 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.768 -16.070 14.289 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.945 -15.945 10.604 1.00 0.01 C ATOM 0 H ILE A 100 7.392 -16.373 15.020 1.00 0.00 H new ATOM 0 HA ILE A 100 7.472 -14.973 12.465 1.00 0.01 H new ATOM 0 HB ILE A 100 6.188 -17.097 13.031 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.130 -16.333 11.720 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.710 -14.686 11.862 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.966 -16.783 14.099 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.282 -16.339 15.212 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.348 -15.069 14.386 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.409 -15.678 9.694 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.833 -15.319 10.699 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.243 -16.992 10.556 1.00 0.01 H new ATOM 1554 N THR A 101 6.356 -13.430 15.070 1.00 0.00 N ATOM 1555 CA THR A 101 5.810 -12.122 15.548 1.00 0.01 C ATOM 1556 C THR A 101 6.928 -11.076 15.582 1.00 0.01 C ATOM 1557 O THR A 101 6.715 -9.938 15.954 1.00 0.01 O ATOM 1558 CB THR A 101 5.241 -12.292 16.958 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.256 -12.786 17.820 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.070 -13.272 16.926 1.00 0.01 C ATOM 0 H THR A 101 6.737 -14.032 15.800 1.00 0.00 H new ATOM 0 HA THR A 101 5.023 -11.793 14.869 1.00 0.01 H new ATOM 0 HB THR A 101 4.890 -11.328 17.326 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.893 -12.894 18.724 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.667 -13.391 17.932 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.292 -12.888 16.267 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.414 -14.238 16.557 1.00 0.01 H new ATOM 1568 N CYS A 102 8.117 -11.455 15.211 1.00 0.00 N ATOM 1569 CA CYS A 102 9.255 -10.491 15.233 1.00 0.00 C ATOM 1570 C CYS A 102 8.970 -9.296 14.318 1.00 0.01 C ATOM 1571 O CYS A 102 9.016 -8.158 14.741 1.00 0.01 O ATOM 1572 CB CYS A 102 10.518 -11.200 14.747 1.00 0.00 C ATOM 1573 SG CYS A 102 11.832 -9.986 14.469 1.00 0.01 S ATOM 0 H CYS A 102 8.353 -12.395 14.892 1.00 0.00 H new ATOM 0 HA CYS A 102 9.389 -10.129 16.252 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.840 -11.936 15.484 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.310 -11.742 13.825 1.00 0.00 H new ATOM 0 HG CYS A 102 11.820 -9.610 13.224 1.00 0.01 H new ATOM 1579 N PHE A 103 8.705 -9.538 13.060 1.00 0.00 N ATOM 1580 CA PHE A 103 8.454 -8.404 12.116 1.00 0.01 C ATOM 1581 C PHE A 103 6.954 -8.094 12.027 1.00 0.01 C ATOM 1582 O PHE A 103 6.559 -7.121 11.416 1.00 0.00 O ATOM 1583 CB PHE A 103 8.982 -8.786 10.726 1.00 0.00 C ATOM 1584 CG PHE A 103 10.493 -8.657 10.701 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.286 -9.574 11.406 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.097 -7.623 9.975 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.683 -9.451 11.382 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.492 -7.503 9.954 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.283 -8.417 10.657 1.00 0.00 C ATOM 0 H PHE A 103 8.651 -10.468 12.645 1.00 0.00 H new ATOM 0 HA PHE A 103 8.968 -7.516 12.483 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.690 -9.808 10.484 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.539 -8.140 9.968 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.822 -10.373 11.966 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.486 -6.918 9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.296 -10.156 11.924 1.00 0.01 H new ATOM 0 HE2 PHE A 103 12.957 -6.705 9.395 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.359 -8.324 10.640 1.00 0.00 H new ATOM 1599 N ASP A 104 6.113 -8.889 12.628 1.00 0.01 N ATOM 1600 CA ASP A 104 4.654 -8.588 12.556 1.00 0.01 C ATOM 1601 C ASP A 104 4.406 -7.225 13.197 1.00 0.00 C ATOM 1602 O ASP A 104 3.624 -6.429 12.717 1.00 0.01 O ATOM 1603 CB ASP A 104 3.856 -9.655 13.308 1.00 0.01 C ATOM 1604 CG ASP A 104 4.010 -11.002 12.599 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.618 -11.026 11.542 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.507 -11.985 13.119 1.00 0.00 O ATOM 0 H ASP A 104 6.366 -9.722 13.159 1.00 0.01 H new ATOM 0 HA ASP A 104 4.335 -8.581 11.514 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.209 -9.731 14.336 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.804 -9.374 13.352 1.00 0.01 H new ATOM 1611 N GLU A 105 5.080 -6.950 14.280 1.00 0.00 N ATOM 1612 CA GLU A 105 4.904 -5.639 14.962 1.00 0.00 C ATOM 1613 C GLU A 105 5.369 -4.527 14.025 1.00 0.00 C ATOM 1614 O GLU A 105 4.792 -3.459 13.973 1.00 0.01 O ATOM 1615 CB GLU A 105 5.738 -5.613 16.248 1.00 0.00 C ATOM 1616 CG GLU A 105 5.564 -4.264 16.956 1.00 0.00 C ATOM 1617 CD GLU A 105 6.380 -4.256 18.250 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.868 -5.309 18.623 1.00 0.00 O ATOM 1619 OE2 GLU A 105 6.501 -3.197 18.843 1.00 0.01 O ATOM 0 H GLU A 105 5.748 -7.581 14.723 1.00 0.00 H new ATOM 0 HA GLU A 105 3.854 -5.492 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.429 -6.423 16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.790 -5.777 16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.890 -3.454 16.303 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.511 -4.091 17.177 1.00 0.00 H new ATOM 1626 N ALA A 106 6.418 -4.766 13.287 1.00 0.00 N ATOM 1627 CA ALA A 106 6.928 -3.718 12.364 1.00 0.00 C ATOM 1628 C ALA A 106 5.918 -3.488 11.240 1.00 0.00 C ATOM 1629 O ALA A 106 5.663 -2.367 10.847 1.00 0.00 O ATOM 1630 CB ALA A 106 8.257 -4.178 11.765 1.00 0.00 C ATOM 0 H ALA A 106 6.942 -5.641 13.284 1.00 0.00 H new ATOM 0 HA ALA A 106 7.074 -2.788 12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.635 -3.413 11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.979 -4.343 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.106 -5.107 11.215 1.00 0.00 H new ATOM 1636 N GLN A 107 5.330 -4.530 10.719 1.00 0.00 N ATOM 1637 CA GLN A 107 4.334 -4.338 9.630 1.00 0.00 C ATOM 1638 C GLN A 107 3.193 -3.469 10.158 1.00 0.00 C ATOM 1639 O GLN A 107 2.690 -2.599 9.475 1.00 0.00 O ATOM 1640 CB GLN A 107 3.770 -5.689 9.185 1.00 0.00 C ATOM 1641 CG GLN A 107 2.957 -5.498 7.902 1.00 0.00 C ATOM 1642 CD GLN A 107 2.140 -6.759 7.618 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.278 -7.122 8.391 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.374 -7.445 6.532 1.00 0.00 N ATOM 0 H GLN A 107 5.495 -5.497 10.998 1.00 0.00 H new ATOM 0 HA GLN A 107 4.817 -3.858 8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.581 -6.396 9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.141 -6.110 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.294 -4.639 8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.623 -5.289 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.099 -7.140 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.832 -8.286 6.333 1.00 0.00 H new ATOM 1653 N LYS A 108 2.780 -3.702 11.377 1.00 0.00 N ATOM 1654 CA LYS A 108 1.673 -2.893 11.954 1.00 0.00 C ATOM 1655 C LYS A 108 2.080 -1.420 11.974 1.00 0.00 C ATOM 1656 O LYS A 108 1.287 -0.545 11.687 1.00 0.00 O ATOM 1657 CB LYS A 108 1.377 -3.370 13.378 1.00 0.00 C ATOM 1658 CG LYS A 108 0.158 -2.622 13.922 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.150 -3.107 15.342 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.414 -2.415 15.852 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.524 -2.632 14.881 1.00 0.00 N ATOM 0 H LYS A 108 3.163 -4.417 11.995 1.00 0.00 H new ATOM 0 HA LYS A 108 0.777 -3.012 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.190 -4.444 13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.241 -3.194 14.019 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.349 -1.549 13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.703 -2.789 13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.287 -4.188 15.347 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.689 -2.889 16.003 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.689 -2.811 16.830 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.231 -1.348 15.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.437 -2.539 15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.465 -1.923 14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.446 -3.585 14.472 1.00 0.00 H new ATOM 1675 N LYS A 109 3.312 -1.134 12.300 1.00 0.01 N ATOM 1676 CA LYS A 109 3.760 0.287 12.324 1.00 0.00 C ATOM 1677 C LYS A 109 3.675 0.854 10.909 1.00 0.00 C ATOM 1678 O LYS A 109 3.275 1.983 10.706 1.00 0.00 O ATOM 1679 CB LYS A 109 5.209 0.376 12.819 1.00 0.00 C ATOM 1680 CG LYS A 109 5.313 -0.103 14.276 1.00 0.00 C ATOM 1681 CD LYS A 109 4.529 0.836 15.208 1.00 0.01 C ATOM 1682 CE LYS A 109 5.046 0.693 16.643 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.332 1.663 17.522 1.00 0.01 N ATOM 0 H LYS A 109 4.024 -1.820 12.550 1.00 0.01 H new ATOM 0 HA LYS A 109 3.120 0.857 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.854 -0.231 12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.563 1.404 12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.923 -1.117 14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.359 -0.137 14.580 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.637 1.868 14.874 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.466 0.598 15.169 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.886 -0.325 17.000 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.120 0.877 16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.680 1.569 18.497 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.506 2.631 17.184 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.311 1.466 17.499 1.00 0.01 H new ATOM 1697 N ILE A 110 4.040 0.080 9.925 1.00 0.00 N ATOM 1698 CA ILE A 110 3.971 0.583 8.527 1.00 0.00 C ATOM 1699 C ILE A 110 2.505 0.755 8.129 1.00 0.00 C ATOM 1700 O ILE A 110 2.136 1.732 7.511 1.00 0.00 O ATOM 1701 CB ILE A 110 4.647 -0.423 7.587 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.122 -0.613 7.980 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.558 0.075 6.143 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.855 0.737 8.021 1.00 0.00 C ATOM 0 H ILE A 110 4.382 -0.875 10.029 1.00 0.00 H new ATOM 0 HA ILE A 110 4.484 1.542 8.454 1.00 0.00 H new ATOM 0 HB ILE A 110 4.133 -1.381 7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.184 -1.095 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.611 -1.276 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.040 -0.644 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.511 0.185 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.060 1.039 6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.896 0.577 8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.812 1.205 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.378 1.388 8.754 1.00 0.00 H new ATOM 1716 N PHE A 111 1.662 -0.174 8.483 1.00 0.00 N ATOM 1717 CA PHE A 111 0.223 -0.034 8.124 1.00 0.00 C ATOM 1718 C PHE A 111 -0.340 1.227 8.794 1.00 0.00 C ATOM 1719 O PHE A 111 -0.933 2.069 8.151 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.549 -1.291 8.595 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.775 -2.230 7.427 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.290 -2.563 6.582 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.052 -2.750 7.181 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.076 -3.414 5.491 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.263 -3.601 6.094 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.203 -3.934 5.248 1.00 0.00 C ATOM 0 H PHE A 111 1.904 -1.018 9.002 1.00 0.00 H new ATOM 0 HA PHE A 111 0.112 0.059 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.013 -1.800 9.378 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.506 -0.999 9.028 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.276 -2.164 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.874 -2.493 7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.896 -3.670 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.248 -4.002 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.368 -4.592 4.407 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.159 1.366 10.077 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.685 2.578 10.765 1.00 0.00 C ATOM 1738 C ASN A 112 0.035 3.823 10.242 1.00 0.00 C ATOM 1739 O ASN A 112 -0.569 4.853 10.022 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.454 2.448 12.272 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.388 1.381 12.845 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.433 1.108 12.286 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.055 0.762 13.944 1.00 0.00 N ATOM 0 H ASN A 112 0.327 0.698 10.676 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.753 2.671 10.566 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.584 2.181 12.469 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.635 3.405 12.762 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.671 0.049 14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -0.179 0.991 14.413 1.00 0.00 H new ATOM 1750 N LEU A 113 1.324 3.739 10.049 1.00 0.00 N ATOM 1751 CA LEU A 113 2.082 4.923 9.550 1.00 0.00 C ATOM 1752 C LEU A 113 1.648 5.293 8.129 1.00 0.00 C ATOM 1753 O LEU A 113 1.268 6.415 7.861 1.00 0.00 O ATOM 1754 CB LEU A 113 3.586 4.606 9.556 1.00 0.00 C ATOM 1755 CG LEU A 113 4.392 5.819 9.008 1.00 0.00 C ATOM 1756 CD1 LEU A 113 5.664 6.030 9.836 1.00 0.00 C ATOM 1757 CD2 LEU A 113 4.794 5.578 7.540 1.00 0.00 C ATOM 0 H LEU A 113 1.884 2.903 10.215 1.00 0.00 H new ATOM 0 HA LEU A 113 1.874 5.768 10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.912 4.371 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.782 3.724 8.946 1.00 0.00 H new ATOM 0 HG LEU A 113 3.758 6.703 9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.218 6.882 9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.394 6.222 10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.286 5.136 9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.357 6.435 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.412 4.683 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.898 5.445 6.934 1.00 0.00 H new ATOM 1769 N MET A 114 1.716 4.368 7.213 1.00 0.00 N ATOM 1770 CA MET A 114 1.328 4.685 5.811 1.00 0.00 C ATOM 1771 C MET A 114 -0.155 5.055 5.756 1.00 0.00 C ATOM 1772 O MET A 114 -0.561 5.946 5.033 1.00 0.00 O ATOM 1773 CB MET A 114 1.612 3.474 4.908 1.00 0.00 C ATOM 1774 CG MET A 114 0.571 2.371 5.143 1.00 0.00 C ATOM 1775 SD MET A 114 1.263 0.769 4.657 1.00 0.00 S ATOM 1776 CE MET A 114 1.456 1.118 2.895 1.00 0.00 C ATOM 0 H MET A 114 2.023 3.409 7.374 1.00 0.00 H new ATOM 0 HA MET A 114 1.914 5.533 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.595 3.781 3.862 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.611 3.088 5.111 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.280 2.349 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.331 2.579 4.567 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.741 0.205 2.372 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.513 1.488 2.492 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.231 1.872 2.756 1.00 0.00 H new ATOM 1786 N GLU A 115 -0.973 4.376 6.506 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.422 4.699 6.481 1.00 0.00 C ATOM 1788 C GLU A 115 -2.632 6.156 6.919 1.00 0.00 C ATOM 1789 O GLU A 115 -3.329 6.915 6.286 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.178 3.764 7.425 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.682 4.024 7.298 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.445 3.086 8.234 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.824 2.183 8.772 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.638 3.283 8.394 1.00 0.01 O ATOM 0 H GLU A 115 -0.703 3.616 7.131 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.802 4.567 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.955 2.725 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.855 3.927 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.904 5.062 7.546 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.003 3.867 6.268 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.043 6.556 8.005 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.240 7.959 8.466 1.00 0.00 C ATOM 1803 C LYS A 116 -1.531 8.934 7.523 1.00 0.01 C ATOM 1804 O LYS A 116 -2.035 9.999 7.227 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.671 8.113 9.877 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.553 7.348 10.867 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.988 7.501 12.280 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.868 6.736 13.274 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.197 5.391 12.722 1.00 0.00 N ATOM 0 H LYS A 116 -1.438 5.981 8.592 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.307 8.184 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.650 7.732 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.628 9.167 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.574 7.728 10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.595 6.294 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.967 7.122 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.946 8.555 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.350 6.632 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.784 7.294 13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.456 4.751 13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.995 5.473 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.370 5.010 12.220 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.358 8.594 7.066 1.00 0.00 N ATOM 1824 CA ASP A 117 0.390 9.520 6.163 1.00 0.00 C ATOM 1825 C ASP A 117 -0.056 9.376 4.700 1.00 0.00 C ATOM 1826 O ASP A 117 -0.227 10.356 4.003 1.00 0.00 O ATOM 1827 CB ASP A 117 1.886 9.210 6.259 1.00 0.00 C ATOM 1828 CG ASP A 117 2.421 9.668 7.619 1.00 0.00 C ATOM 1829 OD1 ASP A 117 1.818 10.550 8.206 1.00 0.00 O ATOM 1830 OD2 ASP A 117 3.428 9.128 8.047 1.00 0.00 O ATOM 0 H ASP A 117 0.117 7.716 7.277 1.00 0.00 H new ATOM 0 HA ASP A 117 0.182 10.542 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 117 2.055 8.141 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 117 2.424 9.715 5.457 1.00 0.00 H new ATOM 1835 N SER A 118 -0.200 8.172 4.209 1.00 0.00 N ATOM 1836 CA SER A 118 -0.579 7.996 2.772 1.00 0.00 C ATOM 1837 C SER A 118 -2.092 8.092 2.542 1.00 0.00 C ATOM 1838 O SER A 118 -2.553 8.973 1.858 1.00 0.01 O ATOM 1839 CB SER A 118 -0.089 6.637 2.278 1.00 0.00 C ATOM 1840 OG SER A 118 -0.979 5.623 2.724 1.00 0.00 O ATOM 0 H SER A 118 -0.073 7.308 4.735 1.00 0.00 H new ATOM 0 HA SER A 118 -0.108 8.807 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.032 6.633 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.917 6.443 2.651 1.00 0.00 H new ATOM 0 HG SER A 118 -0.915 5.537 3.698 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.863 7.178 3.068 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.345 7.208 2.816 1.00 0.00 C ATOM 1848 C TYR A 119 -4.900 8.628 2.971 1.00 0.01 C ATOM 1849 O TYR A 119 -5.645 9.101 2.136 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.058 6.260 3.806 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.549 5.012 3.110 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.639 4.163 2.474 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.912 4.697 3.122 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.093 2.999 1.849 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.366 3.535 2.493 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.451 2.685 1.858 1.00 0.00 C ATOM 1857 OH TYR A 119 -6.880 1.528 1.245 1.00 0.00 O ATOM 0 H TYR A 119 -2.539 6.413 3.659 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.527 6.878 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.373 5.986 4.609 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.899 6.777 4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.587 4.406 2.466 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.613 5.352 3.617 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.391 2.341 1.358 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.418 3.293 2.496 1.00 0.01 H new ATOM 0 HH TYR A 119 -7.824 1.375 1.459 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.570 9.308 4.024 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.120 10.680 4.196 1.00 0.01 C ATOM 1869 C ARG A 120 -4.669 11.523 3.010 1.00 0.00 C ATOM 1870 O ARG A 120 -5.458 12.199 2.388 1.00 0.00 O ATOM 1871 CB ARG A 120 -4.574 11.293 5.488 1.00 0.00 C ATOM 1872 CG ARG A 120 -4.972 10.435 6.696 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.463 10.593 7.005 1.00 0.00 C ATOM 1874 NE ARG A 120 -6.769 9.950 8.312 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.874 10.245 8.937 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -8.687 11.132 8.432 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -8.160 9.661 10.068 1.00 0.01 N ATOM 0 H ARG A 120 -3.952 8.983 4.767 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.208 10.646 4.249 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.488 11.371 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.960 12.305 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -4.746 9.388 6.495 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -4.383 10.727 7.565 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -6.729 11.650 7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.060 10.137 6.215 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.115 9.280 8.718 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -8.457 11.592 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.553 11.366 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.519 8.973 10.463 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -9.025 9.892 10.557 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.418 11.470 2.669 1.00 0.00 N ATOM 1892 CA ARG A 121 -2.954 12.253 1.498 1.00 0.01 C ATOM 1893 C ARG A 121 -3.530 11.624 0.223 1.00 0.01 C ATOM 1894 O ARG A 121 -3.944 12.306 -0.685 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.424 12.254 1.455 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.891 13.106 2.619 1.00 0.00 C ATOM 1897 CD ARG A 121 0.652 13.139 2.612 1.00 0.00 C ATOM 1898 NE ARG A 121 1.165 12.967 4.010 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.698 13.682 4.999 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.157 14.642 4.774 1.00 0.00 N ATOM 1901 NH2 ARG A 121 1.115 13.459 6.216 1.00 0.01 N ATOM 0 H ARG A 121 -2.701 10.923 3.146 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.297 13.285 1.575 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.045 11.235 1.530 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.074 12.655 0.504 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.281 14.121 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.246 12.699 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.040 12.347 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.004 14.084 2.198 1.00 0.00 H new ATOM 0 HE ARG A 121 1.894 12.277 4.193 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.465 14.838 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.518 15.196 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.804 12.728 6.393 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.752 14.016 6.990 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.560 10.316 0.163 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.094 9.606 -1.031 1.00 0.01 C ATOM 1917 C PHE A 122 -5.511 10.094 -1.353 1.00 0.01 C ATOM 1918 O PHE A 122 -5.785 10.544 -2.443 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.149 8.103 -0.695 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.930 7.278 -1.932 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -5.009 6.876 -2.727 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.632 6.907 -2.265 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -4.778 6.098 -3.869 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -2.397 6.128 -3.401 1.00 0.01 C ATOM 1925 CZ PHE A 122 -3.471 5.724 -4.207 1.00 0.00 C ATOM 0 H PHE A 122 -3.230 9.702 0.908 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.455 9.797 -1.893 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.389 7.863 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.115 7.858 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.015 7.164 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.805 7.221 -1.645 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -5.607 5.787 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.389 5.837 -3.658 1.00 0.01 H new ATOM 0 HZ PHE A 122 -3.291 5.125 -5.087 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.410 9.989 -0.416 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.809 10.425 -0.675 1.00 0.00 C ATOM 1937 C LEU A 123 -7.827 11.909 -1.035 1.00 0.01 C ATOM 1938 O LEU A 123 -8.561 12.336 -1.905 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.659 10.197 0.581 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.668 8.707 0.960 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.500 8.521 2.231 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.282 7.872 -0.180 1.00 0.01 C ATOM 0 H LEU A 123 -6.236 9.620 0.519 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.218 9.846 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.263 10.787 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.679 10.540 0.405 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.645 8.373 1.130 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.512 7.467 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.062 9.103 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.520 8.860 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.283 6.819 0.100 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.306 8.200 -0.361 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -8.693 8.006 -1.087 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.035 12.700 -0.371 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.015 14.159 -0.672 1.00 0.01 C ATOM 1956 C LYS A 124 -6.078 14.444 -1.852 1.00 0.01 C ATOM 1957 O LYS A 124 -6.054 15.539 -2.378 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.536 14.920 0.566 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.405 14.550 1.778 1.00 0.01 C ATOM 1960 CD LYS A 124 -8.872 14.906 1.509 1.00 0.01 C ATOM 1961 CE LYS A 124 -9.633 15.016 2.832 1.00 0.01 C ATOM 1962 NZ LYS A 124 -11.098 14.958 2.564 1.00 0.01 N ATOM 0 H LYS A 124 -6.399 12.401 0.368 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.020 14.486 -0.939 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.492 14.680 0.769 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.587 15.994 0.386 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -7.315 13.484 1.987 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.051 15.079 2.663 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -8.933 15.849 0.965 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -9.330 14.144 0.878 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.342 14.206 3.501 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.380 15.950 3.334 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -11.618 15.033 3.461 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -11.368 15.745 1.941 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -11.331 14.056 2.103 1.00 0.01 H new ATOM 1976 N SER A 125 -5.307 13.478 -2.280 1.00 0.00 N ATOM 1977 CA SER A 125 -4.386 13.723 -3.433 1.00 0.01 C ATOM 1978 C SER A 125 -5.185 13.749 -4.735 1.00 0.01 C ATOM 1979 O SER A 125 -6.295 13.262 -4.807 1.00 0.01 O ATOM 1980 CB SER A 125 -3.323 12.625 -3.510 1.00 0.01 C ATOM 1981 OG SER A 125 -3.957 11.362 -3.667 1.00 0.01 O ATOM 0 H SER A 125 -5.274 12.538 -1.886 1.00 0.00 H new ATOM 0 HA SER A 125 -3.892 14.684 -3.287 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.651 12.813 -4.347 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.715 12.629 -2.605 1.00 0.01 H new ATOM 0 HG SER A 125 -4.903 11.439 -3.425 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.628 14.328 -5.761 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.346 14.406 -7.064 1.00 0.01 C ATOM 1989 C ARG A 126 -5.514 13.008 -7.666 1.00 0.00 C ATOM 1990 O ARG A 126 -6.509 12.718 -8.299 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.548 15.285 -8.026 1.00 0.01 C ATOM 1992 CG ARG A 126 -4.537 16.723 -7.498 1.00 0.01 C ATOM 1993 CD ARG A 126 -3.742 17.625 -8.451 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.181 18.791 -7.694 1.00 0.00 N ATOM 1995 CZ ARG A 126 -3.939 19.544 -6.937 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -5.236 19.411 -6.954 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -3.393 20.474 -6.202 1.00 0.01 N ATOM 0 H ARG A 126 -3.701 14.753 -5.753 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.334 14.837 -6.900 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.529 14.911 -8.120 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.992 15.253 -9.021 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -5.558 17.092 -7.402 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.093 16.751 -6.503 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.935 17.058 -8.915 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -4.387 17.978 -9.256 1.00 0.01 H new ATOM 0 HE ARG A 126 -2.186 19.003 -7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.669 18.715 -7.561 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -5.817 20.003 -6.360 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -2.382 20.610 -6.220 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -3.977 21.064 -5.610 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.553 12.142 -7.489 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.683 10.777 -8.077 1.00 0.01 C ATOM 2013 C PHE A 127 -6.006 10.154 -7.630 1.00 0.01 C ATOM 2014 O PHE A 127 -6.809 9.736 -8.440 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.526 9.892 -7.599 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.219 10.416 -8.142 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.779 10.027 -9.412 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.443 11.290 -7.369 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.564 10.512 -9.911 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.228 11.774 -7.867 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.211 11.385 -9.139 1.00 0.00 C ATOM 0 H PHE A 127 -3.693 12.317 -6.969 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.658 10.853 -9.164 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.496 9.875 -6.510 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.682 8.865 -7.930 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.377 9.353 -10.007 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.783 11.590 -6.389 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.225 10.212 -10.892 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.371 12.447 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.148 11.759 -9.524 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.243 10.085 -6.351 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.517 9.485 -5.859 1.00 0.01 C ATOM 2033 C TYR A 128 -8.713 10.280 -6.384 1.00 0.01 C ATOM 2034 O TYR A 128 -9.681 9.721 -6.859 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.531 9.507 -4.332 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.810 8.878 -3.829 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.879 7.491 -3.633 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.923 9.679 -3.552 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.063 6.908 -3.163 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.107 9.098 -3.082 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.178 7.711 -2.888 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.345 7.139 -2.426 1.00 0.01 O ATOM 0 H TYR A 128 -5.611 10.418 -5.623 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.586 8.458 -6.217 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.669 8.965 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.452 10.533 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.019 6.872 -3.844 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.869 10.747 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.116 5.840 -3.013 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.965 9.718 -2.869 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.018 7.837 -2.285 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.668 11.578 -6.270 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.817 12.418 -6.723 1.00 0.01 C ATOM 2054 C LEU A 129 -10.088 12.218 -8.221 1.00 0.01 C ATOM 2055 O LEU A 129 -11.208 11.974 -8.624 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.486 13.892 -6.466 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.402 14.164 -4.955 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.822 15.565 -4.731 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.800 14.077 -4.309 1.00 0.01 C ATOM 0 H LEU A 129 -7.881 12.098 -5.881 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.707 12.122 -6.168 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.539 14.147 -6.942 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.250 14.527 -6.915 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.760 13.413 -4.494 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.759 15.766 -3.662 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.826 15.621 -5.170 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.468 16.306 -5.202 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.719 14.272 -3.240 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.458 14.817 -4.765 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.212 13.080 -4.466 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.086 12.326 -9.053 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.322 12.143 -10.518 1.00 0.91 C ATOM 2073 C ASP A 130 -9.853 10.740 -10.792 1.00 1.05 C ATOM 2074 O ASP A 130 -10.795 10.558 -11.537 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.018 12.359 -11.285 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.637 13.839 -11.235 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.529 14.653 -11.058 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -6.463 14.133 -11.375 1.00 3.77 O ATOM 0 H ASP A 130 -8.123 12.531 -8.787 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.060 12.873 -10.850 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.223 11.753 -10.850 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.135 12.037 -12.320 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.268 9.747 -10.190 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.756 8.363 -10.415 1.00 1.68 C ATOM 2085 C LEU A 131 -11.117 8.231 -9.739 1.00 2.00 C ATOM 2086 O LEU A 131 -11.954 7.446 -10.141 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.774 7.364 -9.804 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.411 7.490 -10.494 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.409 6.563 -9.798 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.532 7.112 -11.986 1.00 3.54 C ATOM 0 H LEU A 131 -8.475 9.833 -9.554 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.841 8.157 -11.482 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.670 7.550 -8.735 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.156 6.349 -9.915 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.064 8.521 -10.425 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.437 6.648 -10.284 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.317 6.848 -8.750 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.759 5.533 -9.864 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.557 7.205 -12.465 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.882 6.084 -12.074 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.242 7.780 -12.474 1.00 3.54 H new ATOM 2102 N THR A 132 -11.338 9.012 -8.711 1.00 2.68 N ATOM 2103 CA THR A 132 -12.634 8.977 -7.977 1.00 3.30 C ATOM 2104 C THR A 132 -13.389 10.269 -8.264 1.00 3.72 C ATOM 2105 O THR A 132 -13.416 11.184 -7.465 1.00 3.94 O ATOM 2106 CB THR A 132 -12.377 8.865 -6.467 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.829 10.089 -5.996 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.396 7.711 -6.162 1.00 4.63 C ATOM 0 H THR A 132 -10.662 9.682 -8.346 1.00 2.68 H new ATOM 0 HA THR A 132 -13.218 8.116 -8.303 1.00 3.30 H new ATOM 0 HB THR A 132 -13.322 8.658 -5.964 1.00 3.80 H new ATOM 0 HG1 THR A 132 -12.470 10.815 -6.149 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.229 7.650 -5.087 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.818 6.771 -6.517 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.448 7.896 -6.667 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.997 10.348 -9.409 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.753 11.574 -9.780 1.00 4.82 C ATOM 2118 C ASN A 133 -16.092 11.575 -9.016 1.00 5.34 C ATOM 2119 O ASN A 133 -16.569 10.529 -8.624 1.00 5.43 O ATOM 2120 CB ASN A 133 -15.005 11.543 -11.295 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.745 12.004 -12.035 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.088 12.936 -11.616 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -13.376 11.386 -13.124 1.00 6.48 N ATOM 0 H ASN A 133 -14.004 9.609 -10.112 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.194 12.474 -9.523 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.275 10.534 -11.608 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.845 12.190 -11.548 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -12.537 11.686 -13.621 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.926 10.603 -13.478 1.00 6.48 H new TER 2130 ASN A 133