USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 795 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 113 SER OG : rot -171:sc= 0.877 USER MOD Set 1.2: A 115 SER OG : rot 78:sc= 1 USER MOD Set 2.1: A 108 TYR OH : rot -79:sc= 0.0261 USER MOD Set 2.2: A 116 ASN : amide:sc= -0.117 K(o=-0.091,f=-2.7!) USER MOD Set 2.3: A 118 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 38 THR OG1 : rot 95:sc= 1.07 USER MOD Set 3.2: A 40 SER OG : rot -176:sc= 1.06 USER MOD Set 3.3: A 47 GLN : amide:sc= -3.98! C(o=-0.27!,f=0.73!) USER MOD Set 3.4: A 58 MET CE :methyl 164:sc= -0.145 (180deg=-0.68) USER MOD Set 3.5: A 98 THR OG1 : rot -150:sc= 0.803 USER MOD Set 3.6: A 127 SER OG : rot 154:sc= 0.923 USER MOD Set 4.1: A 29 TYR OH : rot 130:sc= 0.529 USER MOD Set 4.2: A 79 LYS NZ :NH3+ -150:sc= 0.58 (180deg=-0.165) USER MOD Single : A 27 SER OG : rot 180:sc= -0.015 USER MOD Single : A 34 GLN : amide:sc= 0.734 K(o=0.73,f=-5.4!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 42 SER OG : rot -129:sc= 1.33 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 1.84 (180deg=1.58) USER MOD Single : A 45 GLN : amide:sc= 0.141 K(o=0.14,f=-0.39) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.14) USER MOD Single : A 57 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 61 SER OG : rot 95:sc= -0.931 USER MOD Single : A 62 GLN : amide:sc= -1.94! C(o=-1.9!,f=-7!) USER MOD Single : A 63 SER OG : rot 85:sc= 1.53 USER MOD Single : A 67 SER OG : rot -167:sc= 0.803 USER MOD Single : A 68 SER OG : rot 180:sc= 0.04 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0596) USER MOD Single : A 70 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.5) USER MOD Single : A 75 SER OG : rot 54:sc= 1.36 USER MOD Single : A 76 GLN : amide:sc= -1.85! C(o=-1.8!,f=-7.1!) USER MOD Single : A 78 SER OG : rot 97:sc= 1.03 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0448 X(o=-0.045,f=0.006) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 97 LYS NZ :NH3+ 148:sc= -2.6! (180deg=-4.49!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 102 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.8) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 104 SER OG : rot 128:sc= 1.5 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0.0091) USER MOD Single : A 120 SER OG : rot 130:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HE2:sc=0.000852 X(o=0.00085,f=-0.038) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.540 -1.738 12.033 1.00 0.00 N ATOM 24 CA LEU A 26 -6.500 -1.725 11.019 1.00 0.00 C ATOM 25 C LEU A 26 -6.860 -0.758 9.899 1.00 0.00 C ATOM 26 O LEU A 26 -7.546 -1.123 8.948 1.00 0.00 O ATOM 27 CB LEU A 26 -6.290 -3.133 10.442 1.00 0.00 C ATOM 28 CG LEU A 26 -5.834 -4.200 11.442 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.856 -5.575 10.794 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.438 -3.889 11.962 1.00 0.00 C ATOM 0 HA LEU A 26 -5.573 -1.395 11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.225 -3.463 9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.552 -3.072 9.643 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.525 -4.196 12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.530 -6.323 11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.869 -5.806 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.185 -5.583 9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.134 -4.659 12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.736 -3.865 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.443 -2.919 12.460 1.00 0.00 H new ATOM 42 N SER A 27 -6.436 0.485 10.036 1.00 0.00 N ATOM 43 CA SER A 27 -6.610 1.484 8.992 1.00 0.00 C ATOM 44 C SER A 27 -5.450 2.468 9.051 1.00 0.00 C ATOM 45 O SER A 27 -4.832 2.631 10.101 1.00 0.00 O ATOM 46 CB SER A 27 -7.945 2.208 9.177 1.00 0.00 C ATOM 47 OG SER A 27 -9.022 1.284 9.191 1.00 0.00 O ATOM 0 H SER A 27 -5.963 0.832 10.870 1.00 0.00 H new ATOM 0 HA SER A 27 -6.620 1.001 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.932 2.772 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.088 2.928 8.371 1.00 0.00 H new ATOM 0 HG SER A 27 -9.866 1.767 9.312 1.00 0.00 H new ATOM 53 N TRP A 28 -5.146 3.130 7.940 1.00 0.00 N ATOM 54 CA TRP A 28 -3.954 3.977 7.877 1.00 0.00 C ATOM 55 C TRP A 28 -4.154 5.330 8.574 1.00 0.00 C ATOM 56 O TRP A 28 -3.444 6.296 8.293 1.00 0.00 O ATOM 57 CB TRP A 28 -3.483 4.171 6.426 1.00 0.00 C ATOM 58 CG TRP A 28 -4.504 4.750 5.481 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.493 5.648 5.770 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.605 4.491 4.074 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.206 5.950 4.635 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.680 5.253 3.582 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.891 3.683 3.185 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.056 5.232 2.240 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.264 3.663 1.854 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.339 4.434 1.393 1.00 0.00 C ATOM 0 H TRP A 28 -5.697 3.100 7.082 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.171 3.451 8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.609 4.822 6.431 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.160 3.206 6.036 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.686 6.061 6.749 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.999 6.590 4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.062 3.084 3.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.884 5.825 1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.718 3.043 1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.607 4.397 0.347 1.00 0.00 H new ATOM 77 N TYR A 29 -5.119 5.393 9.481 1.00 0.00 N ATOM 78 CA TYR A 29 -5.327 6.582 10.298 1.00 0.00 C ATOM 79 C TYR A 29 -5.084 6.268 11.768 1.00 0.00 C ATOM 80 O TYR A 29 -5.180 7.145 12.625 1.00 0.00 O ATOM 81 CB TYR A 29 -6.738 7.141 10.107 1.00 0.00 C ATOM 82 CG TYR A 29 -6.809 8.256 9.092 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.941 7.988 7.735 1.00 0.00 C ATOM 84 CD2 TYR A 29 -6.732 9.584 9.494 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.995 9.009 6.809 1.00 0.00 C ATOM 86 CE2 TYR A 29 -6.783 10.611 8.573 1.00 0.00 C ATOM 87 CZ TYR A 29 -6.914 10.320 7.234 1.00 0.00 C ATOM 88 OH TYR A 29 -6.950 11.345 6.316 1.00 0.00 O ATOM 0 H TYR A 29 -5.772 4.633 9.670 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.612 7.339 9.975 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.401 6.334 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.108 7.507 11.065 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.002 6.963 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.631 9.816 10.544 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.100 8.784 5.758 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.720 11.638 8.901 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.615 12.009 6.593 1.00 0.00 H new ATOM 98 N ASP A 30 -4.758 5.015 12.048 1.00 0.00 N ATOM 99 CA ASP A 30 -4.491 4.578 13.409 1.00 0.00 C ATOM 100 C ASP A 30 -3.013 4.749 13.733 1.00 0.00 C ATOM 101 O ASP A 30 -2.149 4.545 12.879 1.00 0.00 O ATOM 102 CB ASP A 30 -4.894 3.115 13.590 1.00 0.00 C ATOM 103 CG ASP A 30 -6.370 2.887 13.352 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.178 3.202 14.250 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.739 2.408 12.259 1.00 0.00 O ATOM 0 H ASP A 30 -4.672 4.280 11.346 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.081 5.191 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.318 2.495 12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.638 2.793 14.600 1.00 0.00 H new ATOM 110 N PRO A 31 -2.708 5.126 14.982 1.00 0.00 N ATOM 111 CA PRO A 31 -1.339 5.389 15.421 1.00 0.00 C ATOM 112 C PRO A 31 -0.532 4.111 15.587 1.00 0.00 C ATOM 113 O PRO A 31 0.695 4.119 15.489 1.00 0.00 O ATOM 114 CB PRO A 31 -1.530 6.080 16.770 1.00 0.00 C ATOM 115 CG PRO A 31 -2.828 5.562 17.281 1.00 0.00 C ATOM 116 CD PRO A 31 -3.685 5.311 16.070 1.00 0.00 C ATOM 0 HA PRO A 31 -0.783 5.984 14.696 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.714 5.846 17.454 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.552 7.164 16.660 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.684 4.645 17.853 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.299 6.283 17.949 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.312 4.429 16.199 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.352 6.150 15.871 1.00 0.00 H new ATOM 124 N ASP A 32 -1.230 3.013 15.830 1.00 0.00 N ATOM 125 CA ASP A 32 -0.588 1.724 16.024 1.00 0.00 C ATOM 126 C ASP A 32 -0.516 0.952 14.713 1.00 0.00 C ATOM 127 O ASP A 32 0.035 -0.147 14.658 1.00 0.00 O ATOM 128 CB ASP A 32 -1.325 0.909 17.091 1.00 0.00 C ATOM 129 CG ASP A 32 -2.779 0.660 16.753 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.545 1.642 16.640 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.172 -0.517 16.645 1.00 0.00 O ATOM 0 H ASP A 32 -2.247 2.990 15.898 1.00 0.00 H new ATOM 0 HA ASP A 32 0.430 1.901 16.370 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.820 -0.048 17.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.265 1.433 18.045 1.00 0.00 H new ATOM 136 N PHE A 33 -1.064 1.535 13.656 1.00 0.00 N ATOM 137 CA PHE A 33 -0.951 0.953 12.331 1.00 0.00 C ATOM 138 C PHE A 33 0.288 1.511 11.645 1.00 0.00 C ATOM 139 O PHE A 33 0.275 2.629 11.126 1.00 0.00 O ATOM 140 CB PHE A 33 -2.196 1.253 11.495 1.00 0.00 C ATOM 141 CG PHE A 33 -2.230 0.518 10.185 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.770 -0.755 10.105 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.728 1.101 9.032 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.808 -1.433 8.902 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.761 0.428 7.828 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.303 -0.841 7.762 1.00 0.00 C ATOM 0 H PHE A 33 -1.590 2.408 13.692 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.863 -0.129 12.426 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.083 0.992 12.072 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.245 2.325 11.303 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.166 -1.223 10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.306 2.094 9.077 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.232 -2.425 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.363 0.893 6.938 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.332 -1.369 6.820 1.00 0.00 H new ATOM 156 N GLN A 34 1.363 0.744 11.669 1.00 0.00 N ATOM 157 CA GLN A 34 2.616 1.185 11.079 1.00 0.00 C ATOM 158 C GLN A 34 2.700 0.792 9.613 1.00 0.00 C ATOM 159 O GLN A 34 2.321 -0.313 9.228 1.00 0.00 O ATOM 160 CB GLN A 34 3.807 0.620 11.858 1.00 0.00 C ATOM 161 CG GLN A 34 4.104 1.388 13.136 1.00 0.00 C ATOM 162 CD GLN A 34 4.484 2.831 12.861 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.628 3.715 12.809 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.770 3.080 12.686 1.00 0.00 N ATOM 0 H GLN A 34 1.395 -0.185 12.089 1.00 0.00 H new ATOM 0 HA GLN A 34 2.650 2.273 11.137 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.609 -0.423 12.106 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.690 0.634 11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.229 1.362 13.786 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.915 0.896 13.673 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.448 2.320 12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.084 4.032 12.500 1.00 0.00 H new ATOM 173 N ALA A 35 3.192 1.713 8.798 1.00 0.00 N ATOM 174 CA ALA A 35 3.338 1.479 7.373 1.00 0.00 C ATOM 175 C ALA A 35 4.640 2.086 6.880 1.00 0.00 C ATOM 176 O ALA A 35 5.151 3.039 7.471 1.00 0.00 O ATOM 177 CB ALA A 35 2.153 2.059 6.612 1.00 0.00 C ATOM 0 H ALA A 35 3.499 2.636 9.105 1.00 0.00 H new ATOM 0 HA ALA A 35 3.362 0.404 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.280 1.874 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.233 1.586 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.097 3.133 6.790 1.00 0.00 H new ATOM 183 N ARG A 36 5.178 1.532 5.806 1.00 0.00 N ATOM 184 CA ARG A 36 6.434 1.998 5.257 1.00 0.00 C ATOM 185 C ARG A 36 6.408 1.924 3.739 1.00 0.00 C ATOM 186 O ARG A 36 5.625 1.172 3.152 1.00 0.00 O ATOM 187 CB ARG A 36 7.602 1.149 5.770 1.00 0.00 C ATOM 188 CG ARG A 36 7.596 -0.275 5.231 1.00 0.00 C ATOM 189 CD ARG A 36 8.907 -0.994 5.496 1.00 0.00 C ATOM 190 NE ARG A 36 9.191 -1.133 6.922 1.00 0.00 N ATOM 191 CZ ARG A 36 9.658 -2.250 7.467 1.00 0.00 C ATOM 192 NH1 ARG A 36 9.897 -3.309 6.710 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.904 -2.308 8.764 1.00 0.00 N ATOM 0 H ARG A 36 4.759 0.754 5.297 1.00 0.00 H new ATOM 0 HA ARG A 36 6.571 3.031 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.540 1.630 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.568 1.118 6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.779 -0.832 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.405 -0.255 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.875 -1.982 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.720 -0.447 5.019 1.00 0.00 H new ATOM 0 HE ARG A 36 9.022 -0.331 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.722 -3.268 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.256 -4.166 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.735 -1.492 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.263 -3.169 9.177 1.00 0.00 H new ATOM 206 N LEU A 37 7.259 2.714 3.118 1.00 0.00 N ATOM 207 CA LEU A 37 7.524 2.588 1.703 1.00 0.00 C ATOM 208 C LEU A 37 8.851 1.872 1.541 1.00 0.00 C ATOM 209 O LEU A 37 9.875 2.319 2.060 1.00 0.00 O ATOM 210 CB LEU A 37 7.539 3.961 1.038 1.00 0.00 C ATOM 211 CG LEU A 37 6.228 4.738 1.184 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.342 6.111 0.555 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.075 3.967 0.560 1.00 0.00 C ATOM 0 H LEU A 37 7.783 3.458 3.579 1.00 0.00 H new ATOM 0 HA LEU A 37 6.739 2.011 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.349 4.552 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.760 3.837 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 37 6.028 4.863 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.398 6.644 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.138 6.671 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.572 6.007 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.153 4.536 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.275 3.809 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.970 3.003 1.058 1.00 0.00 H new ATOM 225 N THR A 38 8.808 0.735 0.868 1.00 0.00 N ATOM 226 CA THR A 38 9.940 -0.178 0.810 1.00 0.00 C ATOM 227 C THR A 38 11.201 0.476 0.250 1.00 0.00 C ATOM 228 O THR A 38 11.143 1.413 -0.552 1.00 0.00 O ATOM 229 CB THR A 38 9.606 -1.413 -0.043 1.00 0.00 C ATOM 230 OG1 THR A 38 9.187 -0.999 -1.347 1.00 0.00 O ATOM 231 CG2 THR A 38 8.516 -2.253 0.609 1.00 0.00 C ATOM 0 H THR A 38 7.990 0.418 0.347 1.00 0.00 H new ATOM 0 HA THR A 38 10.138 -0.473 1.841 1.00 0.00 H new ATOM 0 HB THR A 38 10.503 -2.026 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.954 -1.014 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.301 -3.119 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.853 -2.589 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.613 -1.653 0.721 1.00 0.00 H new ATOM 239 N ARG A 39 12.338 -0.055 0.684 1.00 0.00 N ATOM 240 CA ARG A 39 13.658 0.372 0.221 1.00 0.00 C ATOM 241 C ARG A 39 13.900 -0.052 -1.232 1.00 0.00 C ATOM 242 O ARG A 39 14.882 -0.729 -1.542 1.00 0.00 O ATOM 243 CB ARG A 39 14.736 -0.222 1.148 1.00 0.00 C ATOM 244 CG ARG A 39 14.342 -1.562 1.778 1.00 0.00 C ATOM 245 CD ARG A 39 14.278 -2.691 0.753 1.00 0.00 C ATOM 246 NE ARG A 39 13.336 -3.744 1.142 1.00 0.00 N ATOM 247 CZ ARG A 39 13.688 -5.005 1.365 1.00 0.00 C ATOM 248 NH1 ARG A 39 14.966 -5.345 1.371 1.00 0.00 N ATOM 249 NH2 ARG A 39 12.767 -5.921 1.619 1.00 0.00 N ATOM 0 H ARG A 39 12.372 -0.804 1.376 1.00 0.00 H new ATOM 0 HA ARG A 39 13.709 1.460 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.657 -0.355 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.952 0.492 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.062 -1.821 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.371 -1.461 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.985 -2.284 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.271 -3.123 0.629 1.00 0.00 H new ATOM 0 HE ARG A 39 12.353 -3.494 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.682 -4.638 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.235 -6.314 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.781 -5.660 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.043 -6.888 1.790 1.00 0.00 H new ATOM 262 N SER A 40 12.992 0.345 -2.111 1.00 0.00 N ATOM 263 CA SER A 40 13.062 -0.019 -3.517 1.00 0.00 C ATOM 264 C SER A 40 13.730 1.080 -4.339 1.00 0.00 C ATOM 265 O SER A 40 14.324 0.810 -5.381 1.00 0.00 O ATOM 266 CB SER A 40 11.651 -0.292 -4.049 1.00 0.00 C ATOM 267 OG SER A 40 11.015 -1.317 -3.301 1.00 0.00 O ATOM 0 H SER A 40 12.189 0.926 -1.870 1.00 0.00 H new ATOM 0 HA SER A 40 13.667 -0.921 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.057 0.621 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.704 -0.582 -5.098 1.00 0.00 H new ATOM 0 HG SER A 40 10.141 -1.517 -3.697 1.00 0.00 H new ATOM 273 N ASN A 41 13.630 2.318 -3.868 1.00 0.00 N ATOM 274 CA ASN A 41 14.189 3.457 -4.590 1.00 0.00 C ATOM 275 C ASN A 41 14.356 4.653 -3.660 1.00 0.00 C ATOM 276 O ASN A 41 15.473 5.083 -3.373 1.00 0.00 O ATOM 277 CB ASN A 41 13.288 3.831 -5.775 1.00 0.00 C ATOM 278 CG ASN A 41 13.788 5.041 -6.549 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.436 6.179 -6.238 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.608 4.808 -7.564 1.00 0.00 N ATOM 0 H ASN A 41 13.168 2.559 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 41 15.171 3.174 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.216 2.979 -6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.282 4.033 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.969 5.585 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.878 3.851 -7.792 1.00 0.00 H new ATOM 287 N SER A 42 13.239 5.178 -3.182 1.00 0.00 N ATOM 288 CA SER A 42 13.252 6.331 -2.301 1.00 0.00 C ATOM 289 C SER A 42 12.272 6.103 -1.159 1.00 0.00 C ATOM 290 O SER A 42 11.324 5.335 -1.289 1.00 0.00 O ATOM 291 CB SER A 42 12.881 7.592 -3.089 1.00 0.00 C ATOM 292 OG SER A 42 12.945 8.754 -2.276 1.00 0.00 O ATOM 0 H SER A 42 12.307 4.820 -3.392 1.00 0.00 H new ATOM 0 HA SER A 42 14.251 6.467 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.556 7.703 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.875 7.486 -3.494 1.00 0.00 H new ATOM 0 HG SER A 42 12.107 9.255 -2.355 1.00 0.00 H new ATOM 298 N LYS A 43 12.511 6.778 -0.039 1.00 0.00 N ATOM 299 CA LYS A 43 11.695 6.592 1.156 1.00 0.00 C ATOM 300 C LYS A 43 10.306 7.186 0.953 1.00 0.00 C ATOM 301 O LYS A 43 9.400 6.964 1.755 1.00 0.00 O ATOM 302 CB LYS A 43 12.363 7.246 2.376 1.00 0.00 C ATOM 303 CG LYS A 43 11.993 8.711 2.574 1.00 0.00 C ATOM 304 CD LYS A 43 12.704 9.314 3.774 1.00 0.00 C ATOM 305 CE LYS A 43 11.952 10.515 4.331 1.00 0.00 C ATOM 306 NZ LYS A 43 11.630 11.527 3.288 1.00 0.00 N ATOM 0 H LYS A 43 13.263 7.459 0.066 1.00 0.00 H new ATOM 0 HA LYS A 43 11.601 5.521 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.087 6.688 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.445 7.166 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.250 9.275 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.915 8.799 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.809 8.558 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.711 9.617 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.028 10.175 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.551 10.983 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.338 12.415 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.471 11.700 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.856 11.174 2.689 1.00 0.00 H new ATOM 319 N CYS A 44 10.153 7.954 -0.117 1.00 0.00 N ATOM 320 CA CYS A 44 8.893 8.612 -0.402 1.00 0.00 C ATOM 321 C CYS A 44 8.176 7.949 -1.570 1.00 0.00 C ATOM 322 O CYS A 44 7.038 8.285 -1.872 1.00 0.00 O ATOM 323 CB CYS A 44 9.127 10.092 -0.693 1.00 0.00 C ATOM 324 SG CYS A 44 9.876 11.001 0.699 1.00 0.00 S ATOM 0 H CYS A 44 10.889 8.135 -0.800 1.00 0.00 H new ATOM 0 HA CYS A 44 8.256 8.519 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.773 10.184 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.176 10.558 -0.950 1.00 0.00 H new ATOM 329 N GLN A 45 8.827 6.991 -2.211 1.00 0.00 N ATOM 330 CA GLN A 45 8.225 6.306 -3.346 1.00 0.00 C ATOM 331 C GLN A 45 8.755 4.886 -3.478 1.00 0.00 C ATOM 332 O GLN A 45 9.940 4.661 -3.744 1.00 0.00 O ATOM 333 CB GLN A 45 8.449 7.087 -4.642 1.00 0.00 C ATOM 334 CG GLN A 45 9.848 7.654 -4.778 1.00 0.00 C ATOM 335 CD GLN A 45 10.054 8.413 -6.071 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.495 8.067 -7.111 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.825 9.483 -5.998 1.00 0.00 N ATOM 0 H GLN A 45 9.765 6.671 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 45 7.152 6.250 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.248 6.432 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.729 7.904 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.049 8.318 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.571 6.840 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.269 9.732 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.977 10.060 -6.825 1.00 0.00 H new ATOM 346 N GLY A 46 7.860 3.938 -3.289 1.00 0.00 N ATOM 347 CA GLY A 46 8.213 2.538 -3.369 1.00 0.00 C ATOM 348 C GLY A 46 6.995 1.662 -3.198 1.00 0.00 C ATOM 349 O GLY A 46 5.876 2.089 -3.493 1.00 0.00 O ATOM 0 H GLY A 46 6.878 4.115 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.681 2.332 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.947 2.300 -2.600 1.00 0.00 H new ATOM 353 N GLN A 47 7.198 0.453 -2.710 1.00 0.00 N ATOM 354 CA GLN A 47 6.096 -0.463 -2.475 1.00 0.00 C ATOM 355 C GLN A 47 5.504 -0.194 -1.100 1.00 0.00 C ATOM 356 O GLN A 47 6.238 0.009 -0.130 1.00 0.00 O ATOM 357 CB GLN A 47 6.582 -1.910 -2.559 1.00 0.00 C ATOM 358 CG GLN A 47 7.294 -2.245 -3.860 1.00 0.00 C ATOM 359 CD GLN A 47 8.064 -3.549 -3.773 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.554 -3.921 -2.710 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.169 -4.252 -4.888 1.00 0.00 N ATOM 0 H GLN A 47 8.117 0.081 -2.468 1.00 0.00 H new ATOM 0 HA GLN A 47 5.333 -0.309 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.257 -2.105 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.728 -2.577 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.563 -2.310 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.979 -1.437 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.747 -3.907 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.672 -5.139 -4.886 1.00 0.00 H new ATOM 370 N LEU A 48 4.183 -0.166 -1.015 1.00 0.00 N ATOM 371 CA LEU A 48 3.517 0.056 0.257 1.00 0.00 C ATOM 372 C LEU A 48 3.554 -1.216 1.096 1.00 0.00 C ATOM 373 O LEU A 48 2.938 -2.224 0.743 1.00 0.00 O ATOM 374 CB LEU A 48 2.069 0.509 0.042 1.00 0.00 C ATOM 375 CG LEU A 48 1.278 0.819 1.320 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.900 1.984 2.079 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.175 1.119 0.981 1.00 0.00 C ATOM 0 H LEU A 48 3.554 -0.294 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 48 4.046 0.847 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.075 1.400 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.542 -0.268 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 48 1.314 -0.060 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.320 2.182 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.924 1.733 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.902 2.871 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.725 1.337 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.223 1.981 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.620 0.254 0.488 1.00 0.00 H new ATOM 389 N GLU A 49 4.293 -1.165 2.190 1.00 0.00 N ATOM 390 CA GLU A 49 4.389 -2.291 3.100 1.00 0.00 C ATOM 391 C GLU A 49 3.782 -1.896 4.438 1.00 0.00 C ATOM 392 O GLU A 49 4.114 -0.846 4.991 1.00 0.00 O ATOM 393 CB GLU A 49 5.853 -2.719 3.272 1.00 0.00 C ATOM 394 CG GLU A 49 6.023 -4.128 3.822 1.00 0.00 C ATOM 395 CD GLU A 49 7.475 -4.559 3.894 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.152 -4.227 4.888 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.946 -5.239 2.955 1.00 0.00 O ATOM 0 H GLU A 49 4.838 -0.350 2.470 1.00 0.00 H new ATOM 0 HA GLU A 49 3.841 -3.140 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.356 -2.653 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.351 -2.016 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.583 -4.180 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.472 -4.827 3.194 1.00 0.00 H new ATOM 404 N VAL A 50 2.879 -2.718 4.942 1.00 0.00 N ATOM 405 CA VAL A 50 2.152 -2.388 6.160 1.00 0.00 C ATOM 406 C VAL A 50 2.405 -3.416 7.253 1.00 0.00 C ATOM 407 O VAL A 50 2.622 -4.598 6.976 1.00 0.00 O ATOM 408 CB VAL A 50 0.630 -2.268 5.914 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.327 -1.128 4.949 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.048 -3.579 5.396 1.00 0.00 C ATOM 0 H VAL A 50 2.630 -3.617 4.530 1.00 0.00 H new ATOM 0 HA VAL A 50 2.527 -1.418 6.486 1.00 0.00 H new ATOM 0 HB VAL A 50 0.156 -2.046 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.749 -1.062 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.690 -0.190 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.823 -1.316 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.023 -3.462 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.531 -3.845 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.220 -4.368 6.128 1.00 0.00 H new ATOM 420 N TYR A 51 2.395 -2.948 8.489 1.00 0.00 N ATOM 421 CA TYR A 51 2.588 -3.817 9.634 1.00 0.00 C ATOM 422 C TYR A 51 1.254 -4.315 10.157 1.00 0.00 C ATOM 423 O TYR A 51 0.405 -3.530 10.579 1.00 0.00 O ATOM 424 CB TYR A 51 3.340 -3.091 10.756 1.00 0.00 C ATOM 425 CG TYR A 51 3.537 -3.935 12.006 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.455 -4.980 12.029 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.798 -3.692 13.163 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.630 -5.758 13.160 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.972 -4.466 14.299 1.00 0.00 C ATOM 430 CZ TYR A 51 3.887 -5.498 14.291 1.00 0.00 C ATOM 431 OH TYR A 51 4.058 -6.276 15.417 1.00 0.00 O ATOM 0 H TYR A 51 2.254 -1.966 8.725 1.00 0.00 H new ATOM 0 HA TYR A 51 3.185 -4.668 9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.315 -2.776 10.383 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.793 -2.186 11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.043 -5.188 11.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.078 -2.887 13.174 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.346 -6.566 13.156 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.393 -4.262 15.188 1.00 0.00 H new ATOM 0 HH TYR A 51 3.460 -5.961 16.126 1.00 0.00 H new ATOM 441 N LEU A 52 1.074 -5.619 10.119 1.00 0.00 N ATOM 442 CA LEU A 52 -0.078 -6.239 10.732 1.00 0.00 C ATOM 443 C LEU A 52 0.389 -7.002 11.963 1.00 0.00 C ATOM 444 O LEU A 52 1.595 -7.091 12.203 1.00 0.00 O ATOM 445 CB LEU A 52 -0.800 -7.164 9.742 1.00 0.00 C ATOM 446 CG LEU A 52 -1.310 -6.487 8.462 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.043 -7.489 7.583 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.218 -5.311 8.795 1.00 0.00 C ATOM 0 H LEU A 52 1.715 -6.271 9.667 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.797 -5.474 11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.121 -7.969 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.647 -7.624 10.252 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.448 -6.109 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.397 -6.991 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.365 -8.297 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.893 -7.898 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.567 -4.848 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.074 -5.664 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.664 -4.578 9.382 1.00 0.00 H new ATOM 460 N LYS A 53 -0.538 -7.546 12.736 1.00 0.00 N ATOM 461 CA LYS A 53 -0.195 -8.176 14.010 1.00 0.00 C ATOM 462 C LYS A 53 0.876 -9.260 13.840 1.00 0.00 C ATOM 463 O LYS A 53 1.775 -9.386 14.674 1.00 0.00 O ATOM 464 CB LYS A 53 -1.459 -8.741 14.678 1.00 0.00 C ATOM 465 CG LYS A 53 -1.202 -9.471 15.988 1.00 0.00 C ATOM 466 CD LYS A 53 -0.994 -10.955 15.758 1.00 0.00 C ATOM 467 CE LYS A 53 -0.398 -11.633 16.974 1.00 0.00 C ATOM 468 NZ LYS A 53 -0.258 -13.097 16.762 1.00 0.00 N ATOM 0 H LYS A 53 -1.532 -7.566 12.508 1.00 0.00 H new ATOM 0 HA LYS A 53 0.231 -7.412 14.660 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.155 -7.923 14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.948 -9.425 13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.323 -9.049 16.476 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.044 -9.320 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.948 -11.422 15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.337 -11.102 14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.578 -11.200 17.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.030 -11.448 17.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.359 -13.497 17.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.194 -13.546 16.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.159 -13.274 15.826 1.00 0.00 H new ATOM 481 N ASP A 54 0.801 -10.017 12.750 1.00 0.00 N ATOM 482 CA ASP A 54 1.729 -11.127 12.542 1.00 0.00 C ATOM 483 C ASP A 54 2.853 -10.767 11.566 1.00 0.00 C ATOM 484 O ASP A 54 3.405 -11.645 10.899 1.00 0.00 O ATOM 485 CB ASP A 54 0.989 -12.380 12.053 1.00 0.00 C ATOM 486 CG ASP A 54 0.044 -12.954 13.092 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.517 -13.413 14.155 1.00 0.00 O ATOM 488 OD2 ASP A 54 -1.183 -12.967 12.846 1.00 0.00 O ATOM 0 H ASP A 54 0.117 -9.886 12.005 1.00 0.00 H new ATOM 0 HA ASP A 54 2.184 -11.339 13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.425 -12.134 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.718 -13.140 11.774 1.00 0.00 H new ATOM 493 N GLY A 55 3.190 -9.483 11.471 1.00 0.00 N ATOM 494 CA GLY A 55 4.353 -9.092 10.690 1.00 0.00 C ATOM 495 C GLY A 55 4.048 -8.081 9.600 1.00 0.00 C ATOM 496 O GLY A 55 2.917 -7.607 9.472 1.00 0.00 O ATOM 0 H GLY A 55 2.686 -8.715 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.105 -8.674 11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.790 -9.981 10.236 1.00 0.00 H new ATOM 500 N TRP A 56 5.066 -7.760 8.810 1.00 0.00 N ATOM 501 CA TRP A 56 4.934 -6.798 7.724 1.00 0.00 C ATOM 502 C TRP A 56 4.504 -7.498 6.441 1.00 0.00 C ATOM 503 O TRP A 56 4.998 -8.577 6.116 1.00 0.00 O ATOM 504 CB TRP A 56 6.255 -6.050 7.497 1.00 0.00 C ATOM 505 CG TRP A 56 6.570 -5.050 8.571 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.154 -5.292 9.783 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.309 -3.642 8.529 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.267 -4.122 10.494 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.757 -3.097 9.747 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.740 -2.790 7.581 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.652 -1.740 10.038 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.636 -1.444 7.873 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.090 -0.930 9.092 1.00 0.00 C ATOM 0 H TRP A 56 6.001 -8.157 8.904 1.00 0.00 H new ATOM 0 HA TRP A 56 4.169 -6.074 8.004 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.067 -6.774 7.437 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.213 -5.538 6.536 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.479 -6.261 10.131 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.667 -4.033 11.428 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.387 -3.176 6.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.002 -1.341 10.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.196 -0.776 7.147 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.994 0.128 9.289 1.00 0.00 H new ATOM 524 N HIS A 57 3.574 -6.890 5.722 1.00 0.00 N ATOM 525 CA HIS A 57 3.067 -7.466 4.485 1.00 0.00 C ATOM 526 C HIS A 57 3.032 -6.412 3.388 1.00 0.00 C ATOM 527 O HIS A 57 2.750 -5.243 3.652 1.00 0.00 O ATOM 528 CB HIS A 57 1.659 -8.035 4.685 1.00 0.00 C ATOM 529 CG HIS A 57 1.572 -9.143 5.689 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.732 -10.472 5.363 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.318 -9.114 7.018 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.577 -11.211 6.442 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.325 -10.412 7.462 1.00 0.00 N ATOM 0 H HIS A 57 3.153 -5.995 5.974 1.00 0.00 H new ATOM 0 HA HIS A 57 3.737 -8.275 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.996 -7.228 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.289 -8.400 3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.142 -8.233 7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.645 -12.288 6.485 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.162 -10.711 8.424 1.00 0.00 H new ATOM 541 N MET A 58 3.321 -6.829 2.162 1.00 0.00 N ATOM 542 CA MET A 58 3.283 -5.928 1.018 1.00 0.00 C ATOM 543 C MET A 58 1.844 -5.743 0.554 1.00 0.00 C ATOM 544 O MET A 58 1.077 -6.700 0.523 1.00 0.00 O ATOM 545 CB MET A 58 4.126 -6.486 -0.133 1.00 0.00 C ATOM 546 CG MET A 58 5.600 -6.650 0.199 1.00 0.00 C ATOM 547 SD MET A 58 6.524 -7.461 -1.125 1.00 0.00 S ATOM 548 CE MET A 58 6.179 -6.366 -2.500 1.00 0.00 C ATOM 0 H MET A 58 3.585 -7.788 1.934 1.00 0.00 H new ATOM 0 HA MET A 58 3.695 -4.965 1.321 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.722 -7.454 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.030 -5.824 -0.993 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.036 -5.670 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.700 -7.231 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.889 -6.558 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.165 -6.542 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.273 -5.330 -2.173 1.00 0.00 H new ATOM 558 N VAL A 59 1.473 -4.524 0.202 1.00 0.00 N ATOM 559 CA VAL A 59 0.118 -4.259 -0.264 1.00 0.00 C ATOM 560 C VAL A 59 0.032 -4.413 -1.781 1.00 0.00 C ATOM 561 O VAL A 59 0.876 -3.904 -2.522 1.00 0.00 O ATOM 562 CB VAL A 59 -0.370 -2.846 0.146 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.774 -2.574 -0.384 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.343 -2.690 1.659 1.00 0.00 C ATOM 0 H VAL A 59 2.083 -3.707 0.229 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.533 -4.992 0.213 1.00 0.00 H new ATOM 0 HB VAL A 59 0.309 -2.117 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.090 -1.576 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.771 -2.639 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.465 -3.312 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.689 -1.692 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.996 -3.435 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.675 -2.831 2.021 1.00 0.00 H new ATOM 574 N CYS A 60 -0.978 -5.144 -2.232 1.00 0.00 N ATOM 575 CA CYS A 60 -1.207 -5.342 -3.654 1.00 0.00 C ATOM 576 C CYS A 60 -2.250 -4.347 -4.149 1.00 0.00 C ATOM 577 O CYS A 60 -3.155 -3.968 -3.403 1.00 0.00 O ATOM 578 CB CYS A 60 -1.684 -6.776 -3.904 1.00 0.00 C ATOM 579 SG CYS A 60 -1.783 -7.246 -5.661 1.00 0.00 S ATOM 0 H CYS A 60 -1.655 -5.612 -1.629 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.277 -5.179 -4.198 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.009 -7.464 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.668 -6.902 -3.452 1.00 0.00 H new ATOM 584 N SER A 61 -2.119 -3.929 -5.406 1.00 0.00 N ATOM 585 CA SER A 61 -3.021 -2.942 -5.997 1.00 0.00 C ATOM 586 C SER A 61 -4.443 -3.491 -6.130 1.00 0.00 C ATOM 587 O SER A 61 -5.385 -2.742 -6.374 1.00 0.00 O ATOM 588 CB SER A 61 -2.501 -2.517 -7.372 1.00 0.00 C ATOM 589 OG SER A 61 -2.481 -3.617 -8.271 1.00 0.00 O ATOM 0 H SER A 61 -1.392 -4.261 -6.039 1.00 0.00 H new ATOM 0 HA SER A 61 -3.052 -2.078 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.132 -1.725 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.497 -2.105 -7.274 1.00 0.00 H new ATOM 0 HG SER A 61 -3.310 -3.627 -8.794 1.00 0.00 H new ATOM 595 N GLN A 62 -4.589 -4.804 -5.963 1.00 0.00 N ATOM 596 CA GLN A 62 -5.890 -5.457 -6.075 1.00 0.00 C ATOM 597 C GLN A 62 -6.690 -5.327 -4.778 1.00 0.00 C ATOM 598 O GLN A 62 -7.710 -5.995 -4.593 1.00 0.00 O ATOM 599 CB GLN A 62 -5.711 -6.937 -6.424 1.00 0.00 C ATOM 600 CG GLN A 62 -4.929 -7.177 -7.708 1.00 0.00 C ATOM 601 CD GLN A 62 -5.579 -6.532 -8.915 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.787 -6.365 -8.963 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.782 -6.189 -9.911 1.00 0.00 N ATOM 0 H GLN A 62 -3.819 -5.438 -5.749 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.444 -4.961 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.200 -7.435 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.693 -7.400 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.918 -6.786 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.838 -8.250 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.777 -6.343 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.172 -5.770 -10.755 1.00 0.00 H new ATOM 612 N SER A 63 -6.224 -4.470 -3.878 1.00 0.00 N ATOM 613 CA SER A 63 -6.911 -4.238 -2.623 1.00 0.00 C ATOM 614 C SER A 63 -8.049 -3.243 -2.819 1.00 0.00 C ATOM 615 O SER A 63 -7.938 -2.321 -3.624 1.00 0.00 O ATOM 616 CB SER A 63 -5.931 -3.717 -1.568 1.00 0.00 C ATOM 617 OG SER A 63 -4.887 -4.648 -1.344 1.00 0.00 O ATOM 0 H SER A 63 -5.370 -3.925 -3.999 1.00 0.00 H new ATOM 0 HA SER A 63 -7.328 -5.183 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.511 -2.765 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.462 -3.528 -0.635 1.00 0.00 H new ATOM 0 HG SER A 63 -4.179 -4.511 -2.007 1.00 0.00 H new ATOM 623 N TRP A 64 -9.139 -3.453 -2.078 1.00 0.00 N ATOM 624 CA TRP A 64 -10.328 -2.590 -2.123 1.00 0.00 C ATOM 625 C TRP A 64 -11.021 -2.664 -3.483 1.00 0.00 C ATOM 626 O TRP A 64 -11.938 -1.890 -3.773 1.00 0.00 O ATOM 627 CB TRP A 64 -9.963 -1.135 -1.786 1.00 0.00 C ATOM 628 CG TRP A 64 -9.152 -1.008 -0.534 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.527 -1.366 0.726 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.822 -0.488 -0.425 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.511 -1.106 1.612 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.455 -0.567 0.930 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.906 0.033 -1.343 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.211 -0.143 1.388 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.674 0.454 -0.886 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.336 0.363 0.468 1.00 0.00 C ATOM 0 H TRP A 64 -9.225 -4.231 -1.424 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.026 -2.956 -1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.406 -0.704 -2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.878 -0.552 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.484 -1.792 0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.539 -1.286 2.616 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.158 0.105 -2.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.947 -0.211 2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.959 0.861 -1.586 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.363 0.700 0.794 1.00 0.00 H new ATOM 647 N GLY A 65 -10.588 -3.609 -4.304 1.00 0.00 N ATOM 648 CA GLY A 65 -11.145 -3.779 -5.622 1.00 0.00 C ATOM 649 C GLY A 65 -10.077 -4.184 -6.609 1.00 0.00 C ATOM 650 O GLY A 65 -8.909 -3.843 -6.432 1.00 0.00 O ATOM 0 H GLY A 65 -9.847 -4.270 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.928 -4.537 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.612 -2.849 -5.947 1.00 0.00 H new ATOM 654 N ARG A 66 -10.458 -4.911 -7.642 1.00 0.00 N ATOM 655 CA ARG A 66 -9.497 -5.371 -8.633 1.00 0.00 C ATOM 656 C ARG A 66 -9.142 -4.263 -9.611 1.00 0.00 C ATOM 657 O ARG A 66 -9.733 -4.143 -10.686 1.00 0.00 O ATOM 658 CB ARG A 66 -10.025 -6.598 -9.377 1.00 0.00 C ATOM 659 CG ARG A 66 -9.508 -7.921 -8.826 1.00 0.00 C ATOM 660 CD ARG A 66 -9.890 -8.133 -7.368 1.00 0.00 C ATOM 661 NE ARG A 66 -11.334 -8.234 -7.180 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.946 -8.035 -6.015 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.242 -7.736 -4.928 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.261 -8.145 -5.926 1.00 0.00 N ATOM 0 H ARG A 66 -11.421 -5.196 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.588 -5.657 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.114 -6.597 -9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.749 -6.520 -10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.905 -8.741 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.423 -7.952 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.414 -9.041 -6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.506 -7.306 -6.771 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.908 -8.471 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.227 -7.658 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.717 -7.585 -4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.810 -8.383 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.726 -7.992 -5.031 1.00 0.00 H new ATOM 677 N SER A 67 -8.185 -3.441 -9.216 1.00 0.00 N ATOM 678 CA SER A 67 -7.656 -2.410 -10.084 1.00 0.00 C ATOM 679 C SER A 67 -6.256 -2.806 -10.540 1.00 0.00 C ATOM 680 O SER A 67 -5.403 -3.178 -9.729 1.00 0.00 O ATOM 681 CB SER A 67 -7.631 -1.057 -9.369 1.00 0.00 C ATOM 682 OG SER A 67 -7.350 -0.001 -10.279 1.00 0.00 O ATOM 0 H SER A 67 -7.757 -3.471 -8.291 1.00 0.00 H new ATOM 0 HA SER A 67 -8.302 -2.310 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.592 -0.879 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.878 -1.072 -8.581 1.00 0.00 H new ATOM 0 HG SER A 67 -7.130 0.812 -9.778 1.00 0.00 H new ATOM 688 N SER A 68 -6.027 -2.746 -11.839 1.00 0.00 N ATOM 689 CA SER A 68 -4.763 -3.176 -12.405 1.00 0.00 C ATOM 690 C SER A 68 -3.760 -2.034 -12.460 1.00 0.00 C ATOM 691 O SER A 68 -2.550 -2.266 -12.504 1.00 0.00 O ATOM 692 CB SER A 68 -4.992 -3.750 -13.800 1.00 0.00 C ATOM 693 OG SER A 68 -5.895 -2.944 -14.536 1.00 0.00 O ATOM 0 H SER A 68 -6.702 -2.403 -12.523 1.00 0.00 H new ATOM 0 HA SER A 68 -4.346 -3.949 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.042 -3.817 -14.331 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.385 -4.764 -13.721 1.00 0.00 H new ATOM 0 HG SER A 68 -6.026 -3.330 -15.427 1.00 0.00 H new ATOM 699 N LYS A 69 -4.256 -0.804 -12.456 1.00 0.00 N ATOM 700 CA LYS A 69 -3.381 0.352 -12.565 1.00 0.00 C ATOM 701 C LYS A 69 -3.283 1.105 -11.239 1.00 0.00 C ATOM 702 O LYS A 69 -2.342 0.902 -10.481 1.00 0.00 O ATOM 703 CB LYS A 69 -3.847 1.289 -13.689 1.00 0.00 C ATOM 704 CG LYS A 69 -4.040 0.597 -15.031 1.00 0.00 C ATOM 705 CD LYS A 69 -2.796 -0.156 -15.470 1.00 0.00 C ATOM 706 CE LYS A 69 -3.028 -0.889 -16.782 1.00 0.00 C ATOM 707 NZ LYS A 69 -3.224 0.049 -17.922 1.00 0.00 N ATOM 0 H LYS A 69 -5.249 -0.584 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.385 -0.013 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.787 1.755 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.117 2.090 -13.806 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.878 -0.097 -14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.300 1.338 -15.787 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.967 0.542 -15.583 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.509 -0.870 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.177 -1.538 -16.989 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.903 -1.532 -16.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.260 -0.489 -18.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.116 0.568 -17.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.433 0.723 -17.957 1.00 0.00 H new ATOM 720 N GLN A 70 -4.262 1.953 -10.949 1.00 0.00 N ATOM 721 CA GLN A 70 -4.205 2.805 -9.769 1.00 0.00 C ATOM 722 C GLN A 70 -5.609 3.049 -9.224 1.00 0.00 C ATOM 723 O GLN A 70 -6.598 2.643 -9.838 1.00 0.00 O ATOM 724 CB GLN A 70 -3.522 4.145 -10.115 1.00 0.00 C ATOM 725 CG GLN A 70 -4.383 5.116 -10.918 1.00 0.00 C ATOM 726 CD GLN A 70 -4.678 4.645 -12.331 1.00 0.00 C ATOM 727 OE1 GLN A 70 -5.664 3.956 -12.574 1.00 0.00 O ATOM 728 NE2 GLN A 70 -3.823 5.015 -13.271 1.00 0.00 N ATOM 0 H GLN A 70 -5.103 2.069 -11.514 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.618 2.302 -9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.219 4.632 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.612 3.938 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.325 5.272 -10.393 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.880 6.082 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.015 5.588 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.972 4.727 -14.238 1.00 0.00 H new ATOM 737 N TRP A 71 -5.695 3.693 -8.067 1.00 0.00 N ATOM 738 CA TRP A 71 -6.985 4.032 -7.488 1.00 0.00 C ATOM 739 C TRP A 71 -7.316 5.502 -7.697 1.00 0.00 C ATOM 740 O TRP A 71 -6.430 6.333 -7.898 1.00 0.00 O ATOM 741 CB TRP A 71 -7.034 3.663 -6.006 1.00 0.00 C ATOM 742 CG TRP A 71 -7.344 2.215 -5.798 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.520 1.252 -5.293 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.572 1.562 -6.128 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.170 0.040 -5.278 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.432 0.209 -5.786 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.783 1.997 -6.675 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -9.455 -0.715 -5.977 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.796 1.080 -6.863 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.627 -0.261 -6.515 1.00 0.00 C ATOM 0 H TRP A 71 -4.890 3.989 -7.515 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.745 3.446 -8.005 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.076 3.899 -5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.788 4.270 -5.506 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.508 1.417 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.777 -0.840 -4.944 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.923 3.033 -6.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.328 -1.754 -5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.735 1.405 -7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.439 -0.955 -6.674 1.00 0.00 H new ATOM 761 N GLU A 72 -8.610 5.800 -7.638 1.00 0.00 N ATOM 762 CA GLU A 72 -9.146 7.085 -8.072 1.00 0.00 C ATOM 763 C GLU A 72 -8.799 8.225 -7.116 1.00 0.00 C ATOM 764 O GLU A 72 -8.924 9.398 -7.476 1.00 0.00 O ATOM 765 CB GLU A 72 -10.667 6.980 -8.211 1.00 0.00 C ATOM 766 CG GLU A 72 -11.224 7.745 -9.396 1.00 0.00 C ATOM 767 CD GLU A 72 -10.686 7.223 -10.711 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.219 6.214 -11.216 1.00 0.00 O ATOM 769 OE2 GLU A 72 -9.717 7.808 -11.235 1.00 0.00 O ATOM 0 H GLU A 72 -9.318 5.155 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.686 7.320 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.943 5.930 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.133 7.351 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.312 7.673 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.974 8.801 -9.296 1.00 0.00 H new ATOM 776 N ASP A 73 -8.373 7.899 -5.905 1.00 0.00 N ATOM 777 CA ASP A 73 -8.074 8.932 -4.924 1.00 0.00 C ATOM 778 C ASP A 73 -6.806 8.598 -4.148 1.00 0.00 C ATOM 779 O ASP A 73 -6.861 7.963 -3.095 1.00 0.00 O ATOM 780 CB ASP A 73 -9.240 9.110 -3.954 1.00 0.00 C ATOM 781 CG ASP A 73 -9.225 10.467 -3.278 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.332 10.723 -2.444 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.110 11.293 -3.589 1.00 0.00 O ATOM 0 H ASP A 73 -8.228 6.943 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.917 9.865 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.180 8.985 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.201 8.328 -3.195 1.00 0.00 H new ATOM 788 N PRO A 74 -5.641 9.003 -4.671 1.00 0.00 N ATOM 789 CA PRO A 74 -4.359 8.818 -3.991 1.00 0.00 C ATOM 790 C PRO A 74 -4.219 9.741 -2.786 1.00 0.00 C ATOM 791 O PRO A 74 -3.448 9.471 -1.867 1.00 0.00 O ATOM 792 CB PRO A 74 -3.316 9.179 -5.059 1.00 0.00 C ATOM 793 CG PRO A 74 -4.071 9.246 -6.344 1.00 0.00 C ATOM 794 CD PRO A 74 -5.465 9.651 -5.977 1.00 0.00 C ATOM 0 HA PRO A 74 -4.249 7.805 -3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.838 10.132 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.526 8.429 -5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.620 9.968 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.065 8.282 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.571 10.734 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.196 9.302 -6.707 1.00 0.00 H new ATOM 802 N SER A 75 -4.996 10.815 -2.794 1.00 0.00 N ATOM 803 CA SER A 75 -4.946 11.820 -1.743 1.00 0.00 C ATOM 804 C SER A 75 -5.506 11.299 -0.415 1.00 0.00 C ATOM 805 O SER A 75 -5.479 11.999 0.599 1.00 0.00 O ATOM 806 CB SER A 75 -5.697 13.068 -2.203 1.00 0.00 C ATOM 807 OG SER A 75 -6.773 12.726 -3.067 1.00 0.00 O ATOM 0 H SER A 75 -5.677 11.013 -3.527 1.00 0.00 H new ATOM 0 HA SER A 75 -3.901 12.070 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.079 13.607 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.011 13.740 -2.719 1.00 0.00 H new ATOM 0 HG SER A 75 -7.351 12.069 -2.626 1.00 0.00 H new ATOM 813 N GLN A 76 -6.016 10.074 -0.416 1.00 0.00 N ATOM 814 CA GLN A 76 -6.432 9.434 0.824 1.00 0.00 C ATOM 815 C GLN A 76 -5.221 8.858 1.551 1.00 0.00 C ATOM 816 O GLN A 76 -5.272 8.589 2.749 1.00 0.00 O ATOM 817 CB GLN A 76 -7.452 8.322 0.557 1.00 0.00 C ATOM 818 CG GLN A 76 -8.757 8.807 -0.055 1.00 0.00 C ATOM 819 CD GLN A 76 -9.536 9.756 0.842 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.969 10.497 1.644 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.849 9.746 0.705 1.00 0.00 N ATOM 0 H GLN A 76 -6.151 9.508 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.904 10.191 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.003 7.585 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.671 7.812 1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.542 9.308 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.382 7.945 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.287 9.119 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.426 10.366 1.274 1.00 0.00 H new ATOM 830 N ALA A 77 -4.124 8.703 0.820 1.00 0.00 N ATOM 831 CA ALA A 77 -2.927 8.068 1.357 1.00 0.00 C ATOM 832 C ALA A 77 -1.896 9.103 1.795 1.00 0.00 C ATOM 833 O ALA A 77 -0.770 8.755 2.153 1.00 0.00 O ATOM 834 CB ALA A 77 -2.323 7.131 0.323 1.00 0.00 C ATOM 0 H ALA A 77 -4.039 9.009 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.218 7.493 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.429 6.662 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.049 6.361 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.057 7.697 -0.570 1.00 0.00 H new ATOM 840 N SER A 78 -2.292 10.371 1.772 1.00 0.00 N ATOM 841 CA SER A 78 -1.411 11.469 2.160 1.00 0.00 C ATOM 842 C SER A 78 -0.863 11.270 3.575 1.00 0.00 C ATOM 843 O SER A 78 0.278 11.631 3.868 1.00 0.00 O ATOM 844 CB SER A 78 -2.174 12.790 2.073 1.00 0.00 C ATOM 845 OG SER A 78 -2.842 12.900 0.828 1.00 0.00 O ATOM 0 H SER A 78 -3.226 10.666 1.486 1.00 0.00 H new ATOM 0 HA SER A 78 -0.563 11.489 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.897 12.853 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.483 13.624 2.196 1.00 0.00 H new ATOM 0 HG SER A 78 -3.774 12.616 0.931 1.00 0.00 H new ATOM 851 N LYS A 79 -1.675 10.677 4.443 1.00 0.00 N ATOM 852 CA LYS A 79 -1.269 10.428 5.819 1.00 0.00 C ATOM 853 C LYS A 79 -0.114 9.431 5.885 1.00 0.00 C ATOM 854 O LYS A 79 0.761 9.552 6.737 1.00 0.00 O ATOM 855 CB LYS A 79 -2.451 9.927 6.646 1.00 0.00 C ATOM 856 CG LYS A 79 -3.589 10.929 6.744 1.00 0.00 C ATOM 857 CD LYS A 79 -3.122 12.261 7.316 1.00 0.00 C ATOM 858 CE LYS A 79 -4.274 13.244 7.468 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.940 13.538 6.170 1.00 0.00 N ATOM 0 H LYS A 79 -2.618 10.360 4.217 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.923 11.372 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.827 9.004 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.104 9.683 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.019 11.089 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.380 10.520 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.654 12.096 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.361 12.690 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.006 12.837 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.902 14.172 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.325 14.504 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.248 13.456 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.713 12.860 6.015 1.00 0.00 H new ATOM 872 N VAL A 80 -0.103 8.464 4.971 1.00 0.00 N ATOM 873 CA VAL A 80 0.975 7.484 4.912 1.00 0.00 C ATOM 874 C VAL A 80 2.288 8.174 4.562 1.00 0.00 C ATOM 875 O VAL A 80 3.317 7.921 5.187 1.00 0.00 O ATOM 876 CB VAL A 80 0.689 6.365 3.882 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.883 5.428 3.764 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.561 5.585 4.269 1.00 0.00 C ATOM 0 H VAL A 80 -0.827 8.339 4.263 1.00 0.00 H new ATOM 0 HA VAL A 80 1.047 7.021 5.896 1.00 0.00 H new ATOM 0 HB VAL A 80 0.518 6.831 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.663 4.648 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.757 5.992 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.085 4.972 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.745 4.803 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.418 5.133 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.416 6.261 4.302 1.00 0.00 H new ATOM 888 N CYS A 81 2.237 9.068 3.581 1.00 0.00 N ATOM 889 CA CYS A 81 3.409 9.846 3.200 1.00 0.00 C ATOM 890 C CYS A 81 3.911 10.654 4.393 1.00 0.00 C ATOM 891 O CYS A 81 5.114 10.772 4.616 1.00 0.00 O ATOM 892 CB CYS A 81 3.077 10.781 2.035 1.00 0.00 C ATOM 893 SG CYS A 81 2.299 9.954 0.611 1.00 0.00 S ATOM 0 H CYS A 81 1.399 9.271 3.037 1.00 0.00 H new ATOM 0 HA CYS A 81 4.193 9.159 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.411 11.566 2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.994 11.267 1.702 1.00 0.00 H new ATOM 898 N GLN A 82 2.975 11.185 5.175 1.00 0.00 N ATOM 899 CA GLN A 82 3.308 11.947 6.372 1.00 0.00 C ATOM 900 C GLN A 82 4.008 11.054 7.398 1.00 0.00 C ATOM 901 O GLN A 82 4.959 11.477 8.053 1.00 0.00 O ATOM 902 CB GLN A 82 2.037 12.557 6.974 1.00 0.00 C ATOM 903 CG GLN A 82 2.282 13.438 8.189 1.00 0.00 C ATOM 904 CD GLN A 82 0.999 14.017 8.750 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.559 15.092 8.346 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.389 13.308 9.688 1.00 0.00 N ATOM 0 H GLN A 82 1.974 11.100 4.998 1.00 0.00 H new ATOM 0 HA GLN A 82 3.990 12.752 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.533 13.146 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.359 11.751 7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.783 12.855 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.955 14.251 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.787 12.421 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.478 13.649 10.102 1.00 0.00 H new ATOM 915 N ARG A 83 3.550 9.810 7.506 1.00 0.00 N ATOM 916 CA ARG A 83 4.147 8.847 8.431 1.00 0.00 C ATOM 917 C ARG A 83 5.577 8.518 8.005 1.00 0.00 C ATOM 918 O ARG A 83 6.411 8.145 8.828 1.00 0.00 O ATOM 919 CB ARG A 83 3.312 7.560 8.488 1.00 0.00 C ATOM 920 CG ARG A 83 1.858 7.769 8.895 1.00 0.00 C ATOM 921 CD ARG A 83 1.696 8.047 10.384 1.00 0.00 C ATOM 922 NE ARG A 83 1.956 6.858 11.197 1.00 0.00 N ATOM 923 CZ ARG A 83 1.003 6.175 11.829 1.00 0.00 C ATOM 924 NH1 ARG A 83 -0.261 6.570 11.752 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.307 5.103 12.543 1.00 0.00 N ATOM 0 H ARG A 83 2.767 9.443 6.965 1.00 0.00 H new ATOM 0 HA ARG A 83 4.165 9.296 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.337 7.082 7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.778 6.870 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.443 8.602 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.280 6.883 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.378 8.844 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.685 8.404 10.578 1.00 0.00 H new ATOM 0 HE ARG A 83 2.919 6.535 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.504 7.398 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.990 6.046 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.277 4.795 12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.572 4.585 13.024 1.00 0.00 H new ATOM 938 N LEU A 84 5.848 8.664 6.709 1.00 0.00 N ATOM 939 CA LEU A 84 7.183 8.431 6.167 1.00 0.00 C ATOM 940 C LEU A 84 7.994 9.723 6.120 1.00 0.00 C ATOM 941 O LEU A 84 9.139 9.724 5.666 1.00 0.00 O ATOM 942 CB LEU A 84 7.106 7.824 4.758 1.00 0.00 C ATOM 943 CG LEU A 84 7.022 6.292 4.681 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.259 5.653 5.298 1.00 0.00 C ATOM 945 CD2 LEU A 84 5.759 5.774 5.354 1.00 0.00 C ATOM 0 H LEU A 84 5.157 8.944 6.013 1.00 0.00 H new ATOM 0 HA LEU A 84 7.683 7.726 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.234 8.240 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.983 8.147 4.198 1.00 0.00 H new ATOM 0 HG LEU A 84 6.978 6.014 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.179 4.568 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.147 5.984 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.338 5.949 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.729 4.687 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.759 6.069 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.884 6.195 4.859 1.00 0.00 H new ATOM 957 N ASN A 85 7.393 10.810 6.606 1.00 0.00 N ATOM 958 CA ASN A 85 8.018 12.137 6.602 1.00 0.00 C ATOM 959 C ASN A 85 8.235 12.622 5.167 1.00 0.00 C ATOM 960 O ASN A 85 9.309 13.100 4.807 1.00 0.00 O ATOM 961 CB ASN A 85 9.344 12.129 7.380 1.00 0.00 C ATOM 962 CG ASN A 85 9.808 13.524 7.767 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.525 14.192 7.019 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.413 13.966 8.949 1.00 0.00 N ATOM 0 H ASN A 85 6.458 10.797 7.014 1.00 0.00 H new ATOM 0 HA ASN A 85 7.342 12.830 7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.228 11.527 8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.113 11.650 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.702 14.890 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.820 13.383 9.539 1.00 0.00 H new ATOM 971 N CYS A 86 7.205 12.489 4.348 1.00 0.00 N ATOM 972 CA CYS A 86 7.268 12.924 2.963 1.00 0.00 C ATOM 973 C CYS A 86 6.110 13.862 2.652 1.00 0.00 C ATOM 974 O CYS A 86 5.287 14.148 3.527 1.00 0.00 O ATOM 975 CB CYS A 86 7.242 11.709 2.030 1.00 0.00 C ATOM 976 SG CYS A 86 8.649 10.575 2.260 1.00 0.00 S ATOM 0 H CYS A 86 6.311 12.081 4.620 1.00 0.00 H new ATOM 0 HA CYS A 86 8.201 13.465 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.314 11.159 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.232 12.056 0.997 1.00 0.00 H new ATOM 981 N GLY A 87 6.049 14.344 1.420 1.00 0.00 N ATOM 982 CA GLY A 87 4.990 15.252 1.030 1.00 0.00 C ATOM 983 C GLY A 87 3.800 14.530 0.430 1.00 0.00 C ATOM 984 O GLY A 87 3.679 13.313 0.560 1.00 0.00 O ATOM 0 H GLY A 87 6.716 14.122 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.665 15.821 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.378 15.969 0.307 1.00 0.00 H new ATOM 988 N ASP A 88 2.933 15.285 -0.234 1.00 0.00 N ATOM 989 CA ASP A 88 1.693 14.753 -0.806 1.00 0.00 C ATOM 990 C ASP A 88 1.960 13.630 -1.810 1.00 0.00 C ATOM 991 O ASP A 88 3.015 13.588 -2.452 1.00 0.00 O ATOM 992 CB ASP A 88 0.903 15.877 -1.489 1.00 0.00 C ATOM 993 CG ASP A 88 0.455 16.956 -0.522 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.277 17.831 -0.178 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.725 16.936 -0.101 1.00 0.00 O ATOM 0 H ASP A 88 3.066 16.284 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 88 1.109 14.336 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.520 16.327 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.029 15.452 -1.982 1.00 0.00 H new ATOM 1000 N PRO A 89 1.002 12.698 -1.942 1.00 0.00 N ATOM 1001 CA PRO A 89 1.103 11.575 -2.862 1.00 0.00 C ATOM 1002 C PRO A 89 0.671 11.928 -4.283 1.00 0.00 C ATOM 1003 O PRO A 89 -0.484 12.275 -4.534 1.00 0.00 O ATOM 1004 CB PRO A 89 0.161 10.543 -2.254 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.870 11.330 -1.517 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.258 12.668 -1.182 1.00 0.00 C ATOM 0 HA PRO A 89 2.131 11.230 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.296 9.925 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.696 9.871 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.764 11.458 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.175 10.809 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.915 13.488 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.078 12.765 -0.111 1.00 0.00 H new ATOM 1014 N LEU A 90 1.608 11.820 -5.209 1.00 0.00 N ATOM 1015 CA LEU A 90 1.356 12.112 -6.612 1.00 0.00 C ATOM 1016 C LEU A 90 0.581 10.982 -7.275 1.00 0.00 C ATOM 1017 O LEU A 90 -0.188 11.203 -8.213 1.00 0.00 O ATOM 1018 CB LEU A 90 2.679 12.312 -7.354 1.00 0.00 C ATOM 1019 CG LEU A 90 3.540 13.481 -6.869 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.878 13.492 -7.596 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.816 14.804 -7.073 1.00 0.00 C ATOM 0 H LEU A 90 2.565 11.528 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 90 0.762 13.025 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.263 11.395 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.463 12.458 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 90 3.723 13.351 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.479 14.329 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.405 12.558 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.709 13.597 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.446 15.621 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.601 14.941 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.882 14.798 -6.511 1.00 0.00 H new ATOM 1033 N SER A 91 0.801 9.765 -6.799 1.00 0.00 N ATOM 1034 CA SER A 91 0.173 8.594 -7.389 1.00 0.00 C ATOM 1035 C SER A 91 0.051 7.462 -6.374 1.00 0.00 C ATOM 1036 O SER A 91 0.845 7.364 -5.435 1.00 0.00 O ATOM 1037 CB SER A 91 0.975 8.122 -8.605 1.00 0.00 C ATOM 1038 OG SER A 91 1.024 9.129 -9.602 1.00 0.00 O ATOM 0 H SER A 91 1.410 9.564 -6.006 1.00 0.00 H new ATOM 0 HA SER A 91 -0.831 8.875 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.987 7.859 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.522 7.220 -9.016 1.00 0.00 H new ATOM 0 HG SER A 91 1.543 8.806 -10.368 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.952 6.622 -6.582 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.206 5.464 -5.734 1.00 0.00 C ATOM 1046 C LEU A 92 -1.656 4.302 -6.611 1.00 0.00 C ATOM 1047 O LEU A 92 -2.848 4.149 -6.894 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.294 5.790 -4.702 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.681 4.649 -3.753 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.602 4.421 -2.706 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -4.019 4.936 -3.083 1.00 0.00 C ATOM 0 H LEU A 92 -1.617 6.724 -7.348 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.294 5.196 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.958 6.636 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.188 6.112 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.778 3.739 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.902 3.607 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.665 4.162 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.465 5.330 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.275 4.114 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.948 5.861 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.793 5.038 -3.844 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.705 3.505 -7.066 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.028 2.431 -7.984 1.00 0.00 C ATOM 1065 C GLY A 93 0.051 1.374 -8.060 1.00 0.00 C ATOM 1066 O GLY A 93 0.287 0.671 -7.086 1.00 0.00 O ATOM 0 H GLY A 93 0.282 3.580 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.964 1.965 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.192 2.847 -8.978 1.00 0.00 H new ATOM 1070 N PRO A 94 0.721 1.228 -9.212 1.00 0.00 N ATOM 1071 CA PRO A 94 1.768 0.233 -9.396 1.00 0.00 C ATOM 1072 C PRO A 94 3.172 0.799 -9.168 1.00 0.00 C ATOM 1073 O PRO A 94 3.382 2.012 -9.222 1.00 0.00 O ATOM 1074 CB PRO A 94 1.579 -0.134 -10.864 1.00 0.00 C ATOM 1075 CG PRO A 94 1.162 1.145 -11.521 1.00 0.00 C ATOM 1076 CD PRO A 94 0.504 1.998 -10.452 1.00 0.00 C ATOM 0 HA PRO A 94 1.692 -0.597 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.501 -0.521 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.821 -0.908 -10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.024 1.658 -11.948 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.469 0.950 -12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 94 0.957 2.988 -10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -0.557 2.144 -10.653 1.00 0.00 H new ATOM 1084 N PHE A 95 4.129 -0.083 -8.908 1.00 0.00 N ATOM 1085 CA PHE A 95 5.524 0.323 -8.779 1.00 0.00 C ATOM 1086 C PHE A 95 6.434 -0.731 -9.394 1.00 0.00 C ATOM 1087 O PHE A 95 7.168 -0.460 -10.341 1.00 0.00 O ATOM 1088 CB PHE A 95 5.897 0.544 -7.309 1.00 0.00 C ATOM 1089 CG PHE A 95 7.223 1.228 -7.117 1.00 0.00 C ATOM 1090 CD1 PHE A 95 7.351 2.593 -7.330 1.00 0.00 C ATOM 1091 CD2 PHE A 95 8.341 0.510 -6.726 1.00 0.00 C ATOM 1092 CE1 PHE A 95 8.567 3.224 -7.157 1.00 0.00 C ATOM 1093 CE2 PHE A 95 9.560 1.137 -6.554 1.00 0.00 C ATOM 1094 CZ PHE A 95 9.673 2.495 -6.770 1.00 0.00 C ATOM 0 H PHE A 95 3.966 -1.082 -8.782 1.00 0.00 H new ATOM 0 HA PHE A 95 5.655 1.265 -9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.119 1.139 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.918 -0.420 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 95 6.490 3.169 -7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.259 -0.553 -6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 95 8.652 4.288 -7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 95 10.424 0.564 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.625 2.987 -6.636 1.00 0.00 H new ATOM 1104 N LEU A 96 6.371 -1.941 -8.859 1.00 0.00 N ATOM 1105 CA LEU A 96 7.191 -3.035 -9.353 1.00 0.00 C ATOM 1106 C LEU A 96 6.326 -4.226 -9.727 1.00 0.00 C ATOM 1107 O LEU A 96 5.316 -4.508 -9.076 1.00 0.00 O ATOM 1108 CB LEU A 96 8.237 -3.454 -8.311 1.00 0.00 C ATOM 1109 CG LEU A 96 9.339 -2.421 -8.029 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.282 -2.920 -6.944 1.00 0.00 C ATOM 1111 CD2 LEU A 96 10.121 -2.105 -9.296 1.00 0.00 C ATOM 0 H LEU A 96 5.759 -2.190 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 96 7.712 -2.684 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.724 -3.677 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.707 -4.379 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 96 8.859 -1.507 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.054 -2.173 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.721 -3.094 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.748 -3.851 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.896 -1.372 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.583 -3.016 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.445 -1.700 -10.049 1.00 0.00 H new ATOM 1123 N LYS A 97 6.716 -4.913 -10.784 1.00 0.00 N ATOM 1124 CA LYS A 97 5.990 -6.085 -11.247 1.00 0.00 C ATOM 1125 C LYS A 97 6.581 -7.342 -10.626 1.00 0.00 C ATOM 1126 O LYS A 97 7.221 -8.145 -11.302 1.00 0.00 O ATOM 1127 CB LYS A 97 6.036 -6.171 -12.774 1.00 0.00 C ATOM 1128 CG LYS A 97 5.331 -5.020 -13.479 1.00 0.00 C ATOM 1129 CD LYS A 97 5.507 -5.078 -14.993 1.00 0.00 C ATOM 1130 CE LYS A 97 6.901 -4.635 -15.432 1.00 0.00 C ATOM 1131 NZ LYS A 97 7.973 -5.568 -14.983 1.00 0.00 N ATOM 0 H LYS A 97 7.537 -4.679 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 97 4.948 -5.998 -10.939 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.077 -6.198 -13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.581 -7.110 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.268 -5.044 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.721 -4.073 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.326 -6.096 -15.339 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.760 -4.442 -15.468 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.926 -4.556 -16.519 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.102 -3.640 -15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.742 -5.576 -15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.345 -5.253 -14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.581 -6.527 -14.888 1.00 0.00 H new ATOM 1144 N THR A 98 6.371 -7.493 -9.329 1.00 0.00 N ATOM 1145 CA THR A 98 6.902 -8.624 -8.588 1.00 0.00 C ATOM 1146 C THR A 98 6.162 -9.913 -8.951 1.00 0.00 C ATOM 1147 O THR A 98 6.784 -10.970 -9.072 1.00 0.00 O ATOM 1148 CB THR A 98 6.792 -8.366 -7.074 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.200 -7.021 -6.783 1.00 0.00 O ATOM 1150 CG2 THR A 98 7.655 -9.340 -6.283 1.00 0.00 C ATOM 0 H THR A 98 5.831 -6.839 -8.763 1.00 0.00 H new ATOM 0 HA THR A 98 7.952 -8.742 -8.857 1.00 0.00 H new ATOM 0 HB THR A 98 5.753 -8.512 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.585 -6.983 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.556 -9.132 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.330 -10.361 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.698 -9.226 -6.579 1.00 0.00 H new ATOM 1158 N TYR A 99 4.847 -9.815 -9.150 1.00 0.00 N ATOM 1159 CA TYR A 99 4.014 -10.980 -9.479 1.00 0.00 C ATOM 1160 C TYR A 99 4.240 -12.135 -8.506 1.00 0.00 C ATOM 1161 O TYR A 99 4.377 -13.290 -8.916 1.00 0.00 O ATOM 1162 CB TYR A 99 4.284 -11.462 -10.909 1.00 0.00 C ATOM 1163 CG TYR A 99 3.775 -10.529 -11.984 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.426 -10.490 -12.316 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.645 -9.699 -12.678 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.960 -9.647 -13.305 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.186 -8.853 -13.666 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.846 -8.832 -13.977 1.00 0.00 C ATOM 1169 OH TYR A 99 2.386 -7.986 -14.959 1.00 0.00 O ATOM 0 H TYR A 99 4.331 -8.937 -9.089 1.00 0.00 H new ATOM 0 HA TYR A 99 2.977 -10.656 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.358 -11.596 -11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.822 -12.440 -11.044 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.731 -11.129 -11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.698 -9.716 -12.440 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.909 -9.626 -13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.875 -8.210 -14.193 1.00 0.00 H new ATOM 0 HH TYR A 99 3.137 -7.480 -15.333 1.00 0.00 H new ATOM 1179 N THR A 100 4.292 -11.823 -7.224 1.00 0.00 N ATOM 1180 CA THR A 100 4.446 -12.843 -6.203 1.00 0.00 C ATOM 1181 C THR A 100 3.212 -12.871 -5.307 1.00 0.00 C ATOM 1182 O THR A 100 3.138 -12.161 -4.300 1.00 0.00 O ATOM 1183 CB THR A 100 5.715 -12.611 -5.358 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.860 -12.507 -6.221 1.00 0.00 O ATOM 1185 CG2 THR A 100 5.929 -13.751 -4.368 1.00 0.00 C ATOM 0 H THR A 100 4.230 -10.870 -6.865 1.00 0.00 H new ATOM 0 HA THR A 100 4.552 -13.806 -6.701 1.00 0.00 H new ATOM 0 HB THR A 100 5.587 -11.685 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.664 -12.358 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.830 -13.562 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.071 -13.817 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.038 -14.689 -4.912 1.00 0.00 H new ATOM 1193 N PRO A 101 2.216 -13.689 -5.682 1.00 0.00 N ATOM 1194 CA PRO A 101 0.947 -13.794 -4.962 1.00 0.00 C ATOM 1195 C PRO A 101 1.095 -14.537 -3.635 1.00 0.00 C ATOM 1196 O PRO A 101 0.632 -15.670 -3.482 1.00 0.00 O ATOM 1197 CB PRO A 101 0.042 -14.579 -5.927 1.00 0.00 C ATOM 1198 CG PRO A 101 0.796 -14.667 -7.214 1.00 0.00 C ATOM 1199 CD PRO A 101 2.244 -14.580 -6.847 1.00 0.00 C ATOM 0 HA PRO A 101 0.549 -12.815 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.179 -15.572 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.913 -14.072 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 101 0.579 -15.602 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.514 -13.858 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.661 -15.557 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.846 -14.170 -7.658 1.00 0.00 H new ATOM 1207 N GLN A 102 1.768 -13.893 -2.692 1.00 0.00 N ATOM 1208 CA GLN A 102 1.971 -14.439 -1.360 1.00 0.00 C ATOM 1209 C GLN A 102 2.484 -13.335 -0.442 1.00 0.00 C ATOM 1210 O GLN A 102 1.925 -13.091 0.628 1.00 0.00 O ATOM 1211 CB GLN A 102 2.964 -15.612 -1.410 1.00 0.00 C ATOM 1212 CG GLN A 102 2.904 -16.538 -0.199 1.00 0.00 C ATOM 1213 CD GLN A 102 3.504 -15.937 1.060 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.442 -15.146 1.002 1.00 0.00 O ATOM 1215 NE2 GLN A 102 2.958 -16.304 2.206 1.00 0.00 N ATOM 0 H GLN A 102 2.189 -12.975 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 102 1.026 -14.817 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.772 -16.197 -2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.975 -15.214 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.864 -16.801 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.429 -17.464 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.180 -16.964 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.315 -15.928 3.084 1.00 0.00 H new ATOM 1224 N SER A 103 3.542 -12.664 -0.880 1.00 0.00 N ATOM 1225 CA SER A 103 4.132 -11.573 -0.120 1.00 0.00 C ATOM 1226 C SER A 103 3.229 -10.346 -0.160 1.00 0.00 C ATOM 1227 O SER A 103 3.063 -9.643 0.840 1.00 0.00 O ATOM 1228 CB SER A 103 5.511 -11.244 -0.687 1.00 0.00 C ATOM 1229 OG SER A 103 5.464 -11.174 -2.103 1.00 0.00 O ATOM 0 H SER A 103 4.011 -12.860 -1.765 1.00 0.00 H new ATOM 0 HA SER A 103 4.239 -11.879 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.860 -10.294 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.228 -12.005 -0.379 1.00 0.00 H new ATOM 0 HG SER A 103 6.355 -10.961 -2.450 1.00 0.00 H new ATOM 1235 N SER A 104 2.648 -10.098 -1.322 1.00 0.00 N ATOM 1236 CA SER A 104 1.695 -9.020 -1.479 1.00 0.00 C ATOM 1237 C SER A 104 0.283 -9.510 -1.158 1.00 0.00 C ATOM 1238 O SER A 104 -0.184 -10.514 -1.707 1.00 0.00 O ATOM 1239 CB SER A 104 1.776 -8.459 -2.900 1.00 0.00 C ATOM 1240 OG SER A 104 1.783 -9.503 -3.858 1.00 0.00 O ATOM 0 H SER A 104 2.823 -10.633 -2.172 1.00 0.00 H new ATOM 0 HA SER A 104 1.938 -8.220 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.929 -7.798 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.678 -7.857 -3.006 1.00 0.00 H new ATOM 0 HG SER A 104 1.084 -9.340 -4.525 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.388 -8.803 -0.262 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.709 -9.201 0.200 1.00 0.00 C ATOM 1248 C ILE A 105 -2.800 -8.355 -0.445 1.00 0.00 C ATOM 1249 O ILE A 105 -2.545 -7.255 -0.941 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.838 -9.092 1.739 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.505 -7.668 2.205 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.942 -10.118 2.426 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.736 -7.430 3.683 1.00 0.00 C ATOM 0 H ILE A 105 -0.036 -7.945 0.162 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.835 -10.243 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.870 -9.307 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.461 -7.456 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.108 -6.961 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.046 -10.026 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.235 -11.121 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.096 -9.940 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.477 -6.401 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.785 -7.607 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.113 -8.111 4.263 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.011 -8.884 -0.435 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.173 -8.172 -0.941 1.00 0.00 C ATOM 1267 C ILE A 106 -6.126 -7.864 0.208 1.00 0.00 C ATOM 1268 O ILE A 106 -6.672 -8.775 0.838 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.909 -8.987 -2.033 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.111 -8.964 -3.336 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.320 -8.454 -2.265 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.675 -9.870 -4.408 1.00 0.00 C ATOM 0 H ILE A 106 -4.217 -9.817 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.829 -7.242 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.993 -10.017 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.080 -7.942 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.082 -9.258 -3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.811 -9.047 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.891 -8.520 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.268 -7.413 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.058 -9.802 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.681 -10.899 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.694 -9.563 -4.645 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.295 -6.589 0.497 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.185 -6.162 1.565 1.00 0.00 C ATOM 1286 C CYS A 107 -8.528 -5.726 0.994 1.00 0.00 C ATOM 1287 O CYS A 107 -8.593 -5.202 -0.116 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.547 -5.017 2.353 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.000 -5.485 3.190 1.00 0.00 S ATOM 0 H CYS A 107 -5.827 -5.826 0.007 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.352 -7.003 2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.347 -4.187 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.259 -4.657 3.096 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.599 -5.955 1.739 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.923 -5.542 1.300 1.00 0.00 C ATOM 1296 C TYR A 108 -11.784 -5.122 2.485 1.00 0.00 C ATOM 1297 O TYR A 108 -11.492 -5.464 3.631 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.605 -6.652 0.486 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.565 -8.027 1.122 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.570 -8.450 1.983 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.527 -8.910 0.845 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.537 -9.709 2.553 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.489 -10.169 1.409 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.495 -10.564 2.262 1.00 0.00 C ATOM 1305 OH TYR A 108 -11.460 -11.820 2.821 1.00 0.00 O ATOM 0 H TYR A 108 -9.578 -6.422 2.646 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.806 -4.676 0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.646 -6.374 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.131 -6.707 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.390 -7.785 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.736 -8.605 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.324 -10.022 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.674 -10.841 1.182 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.136 -11.758 3.744 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.836 -4.369 2.196 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.686 -3.833 3.237 1.00 0.00 C ATOM 1317 C GLY A 109 -14.052 -2.392 2.954 1.00 0.00 C ATOM 1318 O GLY A 109 -15.125 -2.109 2.424 1.00 0.00 O ATOM 0 H GLY A 109 -13.117 -4.118 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.593 -4.433 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.176 -3.900 4.198 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.151 -1.481 3.299 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.331 -0.061 3.009 1.00 0.00 C ATOM 1324 C GLN A 110 -12.009 0.529 2.540 1.00 0.00 C ATOM 1325 O GLN A 110 -10.949 0.136 3.029 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.812 0.703 4.249 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.085 0.156 4.872 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.602 1.037 5.990 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.211 0.890 7.145 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.490 1.955 5.653 1.00 0.00 N ATOM 0 H GLN A 110 -12.281 -1.701 3.784 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.087 0.035 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.021 0.689 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.975 1.746 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.852 0.061 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.896 -0.845 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.788 2.044 4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.878 2.575 6.364 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.075 1.457 1.590 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.884 2.115 1.060 1.00 0.00 C ATOM 1341 C LEU A 111 -10.102 2.796 2.181 1.00 0.00 C ATOM 1342 O LEU A 111 -10.557 3.786 2.757 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.280 3.146 -0.010 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.123 3.945 -0.625 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.171 3.035 -1.391 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.657 5.038 -1.537 1.00 0.00 C ATOM 0 H LEU A 111 -12.948 1.773 1.168 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.246 1.358 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.805 2.627 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.987 3.848 0.432 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.566 4.408 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.362 3.629 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.756 2.289 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.713 2.535 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.823 5.595 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.243 4.589 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.289 5.715 -0.962 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.934 2.253 2.493 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.122 2.795 3.565 1.00 0.00 C ATOM 1360 C GLY A 112 -8.059 1.861 4.755 1.00 0.00 C ATOM 1361 O GLY A 112 -7.199 2.000 5.627 1.00 0.00 O ATOM 0 H GLY A 112 -8.532 1.443 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.113 2.982 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.530 3.756 3.879 1.00 0.00 H new ATOM 1365 N SER A 113 -8.979 0.906 4.787 1.00 0.00 N ATOM 1366 CA SER A 113 -9.033 -0.076 5.854 1.00 0.00 C ATOM 1367 C SER A 113 -8.317 -1.357 5.442 1.00 0.00 C ATOM 1368 O SER A 113 -8.375 -1.776 4.283 1.00 0.00 O ATOM 1369 CB SER A 113 -10.489 -0.373 6.222 1.00 0.00 C ATOM 1370 OG SER A 113 -10.583 -1.448 7.137 1.00 0.00 O ATOM 0 H SER A 113 -9.703 0.793 4.078 1.00 0.00 H new ATOM 0 HA SER A 113 -8.526 0.333 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.945 0.517 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.052 -0.611 5.320 1.00 0.00 H new ATOM 0 HG SER A 113 -11.522 -1.706 7.243 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.636 -1.962 6.400 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.908 -3.202 6.184 1.00 0.00 C ATOM 1378 C PHE A 114 -7.384 -4.251 7.186 1.00 0.00 C ATOM 1379 O PHE A 114 -6.638 -5.150 7.565 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.399 -2.972 6.362 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.794 -1.995 5.389 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.873 -0.627 5.613 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.134 -2.443 4.258 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.308 0.270 4.728 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.564 -1.551 3.370 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.652 -0.192 3.606 1.00 0.00 C ATOM 0 H PHE A 114 -7.572 -1.606 7.354 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.095 -3.550 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.216 -2.615 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.885 -3.928 6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.383 -0.260 6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.064 -3.504 4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.380 1.331 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.050 -1.915 2.493 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.208 0.507 2.913 1.00 0.00 H new ATOM 1396 N SER A 115 -8.635 -4.116 7.619 1.00 0.00 N ATOM 1397 CA SER A 115 -9.190 -4.975 8.662 1.00 0.00 C ATOM 1398 C SER A 115 -9.228 -6.443 8.236 1.00 0.00 C ATOM 1399 O SER A 115 -9.081 -7.343 9.065 1.00 0.00 O ATOM 1400 CB SER A 115 -10.599 -4.506 9.027 1.00 0.00 C ATOM 1401 OG SER A 115 -10.600 -3.137 9.398 1.00 0.00 O ATOM 0 H SER A 115 -9.286 -3.417 7.262 1.00 0.00 H new ATOM 0 HA SER A 115 -8.537 -4.900 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.267 -4.657 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.985 -5.109 9.849 1.00 0.00 H new ATOM 0 HG SER A 115 -10.560 -2.580 8.593 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.426 -6.682 6.947 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.522 -8.042 6.441 1.00 0.00 C ATOM 1409 C ASN A 116 -8.718 -8.176 5.158 1.00 0.00 C ATOM 1410 O ASN A 116 -9.095 -7.633 4.116 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.987 -8.420 6.192 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.192 -9.919 6.044 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.308 -10.643 5.593 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.369 -10.392 6.427 1.00 0.00 N ATOM 0 H ASN A 116 -9.523 -5.956 6.237 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.113 -8.723 7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.597 -8.054 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.338 -7.919 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.566 -11.390 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.078 -9.758 6.797 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.600 -8.880 5.241 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.736 -9.065 4.090 1.00 0.00 C ATOM 1423 C CYS A 117 -6.433 -10.542 3.881 1.00 0.00 C ATOM 1424 O CYS A 117 -6.350 -11.313 4.839 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.429 -8.293 4.269 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.638 -6.558 4.789 1.00 0.00 S ATOM 0 H CYS A 117 -7.271 -9.332 6.094 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.257 -8.682 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.816 -8.809 5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.879 -8.313 3.328 1.00 0.00 H new ATOM 1431 N SER A 118 -6.270 -10.923 2.627 1.00 0.00 N ATOM 1432 CA SER A 118 -5.956 -12.295 2.270 1.00 0.00 C ATOM 1433 C SER A 118 -4.743 -12.335 1.350 1.00 0.00 C ATOM 1434 O SER A 118 -4.410 -11.338 0.705 1.00 0.00 O ATOM 1435 CB SER A 118 -7.163 -12.943 1.587 1.00 0.00 C ATOM 1436 OG SER A 118 -8.256 -13.054 2.485 1.00 0.00 O ATOM 0 H SER A 118 -6.351 -10.292 1.829 1.00 0.00 H new ATOM 0 HA SER A 118 -5.721 -12.853 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.458 -12.350 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.889 -13.931 1.218 1.00 0.00 H new ATOM 0 HG SER A 118 -9.016 -13.469 2.026 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.073 -13.479 1.309 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.942 -13.671 0.413 1.00 0.00 C ATOM 1444 C HIS A 119 -3.439 -13.699 -1.023 1.00 0.00 C ATOM 1445 O HIS A 119 -4.425 -14.369 -1.329 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.188 -14.964 0.749 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.469 -14.915 2.066 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.766 -15.747 3.127 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.457 -14.121 2.490 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.972 -15.465 4.143 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -0.166 -14.482 3.782 1.00 0.00 N ATOM 0 H HIS A 119 -4.294 -14.289 1.887 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.246 -12.842 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.894 -15.794 0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.467 -15.170 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.031 -13.346 1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.980 -15.954 5.106 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.555 -14.060 4.368 1.00 0.00 H new ATOM 1459 N SER A 120 -2.759 -12.953 -1.886 1.00 0.00 N ATOM 1460 CA SER A 120 -3.207 -12.744 -3.256 1.00 0.00 C ATOM 1461 C SER A 120 -3.357 -14.063 -4.013 1.00 0.00 C ATOM 1462 O SER A 120 -2.409 -14.835 -4.137 1.00 0.00 O ATOM 1463 CB SER A 120 -2.227 -11.826 -3.989 1.00 0.00 C ATOM 1464 OG SER A 120 -2.723 -11.462 -5.264 1.00 0.00 O ATOM 0 H SER A 120 -1.886 -12.478 -1.656 1.00 0.00 H new ATOM 0 HA SER A 120 -4.190 -12.274 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.051 -10.929 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.266 -12.329 -4.100 1.00 0.00 H new ATOM 0 HG SER A 120 -2.667 -10.489 -5.371 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.564 -14.315 -4.503 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.837 -15.496 -5.316 1.00 0.00 C ATOM 1472 C ARG A 121 -4.979 -15.093 -6.779 1.00 0.00 C ATOM 1473 O ARG A 121 -5.204 -15.928 -7.653 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.124 -16.183 -4.842 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.113 -16.592 -3.375 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.379 -17.907 -3.138 1.00 0.00 C ATOM 1477 NE ARG A 121 -3.948 -17.824 -3.430 1.00 0.00 N ATOM 1478 CZ ARG A 121 -2.995 -18.119 -2.550 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.314 -18.444 -1.302 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -1.723 -18.090 -2.911 1.00 0.00 N ATOM 0 H ARG A 121 -5.374 -13.714 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.006 -16.194 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.965 -15.511 -5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.295 -17.069 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.641 -15.806 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -7.139 -16.684 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.515 -18.211 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.826 -18.683 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.665 -17.522 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.293 -18.468 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.580 -18.670 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.470 -17.841 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.995 -18.317 -2.233 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.828 -13.803 -7.037 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.063 -13.245 -8.363 1.00 0.00 C ATOM 1495 C ASN A 122 -3.737 -12.869 -9.008 1.00 0.00 C ATOM 1496 O ASN A 122 -2.986 -12.060 -8.460 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.961 -12.005 -8.261 1.00 0.00 C ATOM 1498 CG ASN A 122 -7.210 -12.253 -7.434 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -7.177 -12.167 -6.207 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -8.324 -12.540 -8.092 1.00 0.00 N ATOM 0 H ASN A 122 -4.541 -13.116 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.561 -13.994 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.394 -11.186 -7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.250 -11.688 -9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.192 -12.698 -7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -8.313 -12.603 -9.110 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.452 -13.429 -10.178 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.167 -13.195 -10.840 1.00 0.00 C ATOM 1509 C ASP A 123 -2.209 -11.918 -11.684 1.00 0.00 C ATOM 1510 O ASP A 123 -1.682 -11.853 -12.792 1.00 0.00 O ATOM 1511 CB ASP A 123 -1.772 -14.404 -11.692 1.00 0.00 C ATOM 1512 CG ASP A 123 -0.341 -14.329 -12.193 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.570 -14.077 -11.377 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -0.124 -14.554 -13.402 1.00 0.00 O ATOM 0 H ASP A 123 -4.086 -14.044 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.407 -13.059 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.899 -15.313 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.447 -14.478 -12.545 1.00 0.00 H new ATOM 1519 N MET A 124 -2.875 -10.912 -11.148 1.00 0.00 N ATOM 1520 CA MET A 124 -2.862 -9.573 -11.717 1.00 0.00 C ATOM 1521 C MET A 124 -2.306 -8.629 -10.666 1.00 0.00 C ATOM 1522 O MET A 124 -2.476 -7.408 -10.726 1.00 0.00 O ATOM 1523 CB MET A 124 -4.272 -9.132 -12.126 1.00 0.00 C ATOM 1524 CG MET A 124 -4.917 -10.015 -13.182 1.00 0.00 C ATOM 1525 SD MET A 124 -6.558 -9.440 -13.658 1.00 0.00 S ATOM 1526 CE MET A 124 -7.014 -10.697 -14.852 1.00 0.00 C ATOM 0 H MET A 124 -3.442 -10.998 -10.304 1.00 0.00 H new ATOM 0 HA MET A 124 -2.244 -9.561 -12.615 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.908 -9.119 -11.241 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.227 -8.110 -12.501 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.277 -10.047 -14.064 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.989 -11.035 -12.803 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.009 -10.484 -15.242 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.295 -10.698 -15.671 1.00 0.00 H new ATOM 0 HE3 MET A 124 -7.015 -11.674 -14.369 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.635 -9.231 -9.700 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.180 -8.530 -8.515 1.00 0.00 C ATOM 1538 C CYS A 125 0.019 -7.637 -8.815 1.00 0.00 C ATOM 1539 O CYS A 125 1.116 -8.116 -9.108 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.827 -9.534 -7.415 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.453 -8.772 -5.806 1.00 0.00 S ATOM 0 H CYS A 125 -1.390 -10.221 -9.716 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.993 -7.890 -8.174 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.658 -10.229 -7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.034 -10.121 -7.736 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.210 -6.334 -8.755 1.00 0.00 N ATOM 1547 CA HIS A 126 0.860 -5.360 -8.873 1.00 0.00 C ATOM 1548 C HIS A 126 1.242 -4.881 -7.483 1.00 0.00 C ATOM 1549 O HIS A 126 0.367 -4.608 -6.660 1.00 0.00 O ATOM 1550 CB HIS A 126 0.422 -4.164 -9.730 1.00 0.00 C ATOM 1551 CG HIS A 126 0.237 -4.477 -11.182 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.942 -4.962 -11.707 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.089 -4.357 -12.227 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.808 -5.127 -13.009 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.414 -4.767 -13.350 1.00 0.00 N ATOM 0 H HIS A 126 -1.136 -5.926 -8.624 1.00 0.00 H new ATOM 0 HA HIS A 126 1.715 -5.830 -9.359 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.515 -3.772 -9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.165 -3.372 -9.634 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -1.787 -5.162 -11.172 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.109 -4.005 -12.185 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.569 -5.494 -13.681 1.00 0.00 H new ATOM 1563 N SER A 127 2.537 -4.810 -7.204 1.00 0.00 N ATOM 1564 CA SER A 127 2.998 -4.285 -5.931 1.00 0.00 C ATOM 1565 C SER A 127 2.652 -2.803 -5.853 1.00 0.00 C ATOM 1566 O SER A 127 3.143 -2.007 -6.658 1.00 0.00 O ATOM 1567 CB SER A 127 4.503 -4.497 -5.784 1.00 0.00 C ATOM 1568 OG SER A 127 4.840 -5.866 -5.959 1.00 0.00 O ATOM 0 H SER A 127 3.279 -5.107 -7.838 1.00 0.00 H new ATOM 0 HA SER A 127 2.505 -4.813 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 127 5.033 -3.891 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.827 -4.161 -4.799 1.00 0.00 H new ATOM 0 HG SER A 127 5.768 -5.938 -6.267 1.00 0.00 H new ATOM 1574 N LEU A 128 1.798 -2.453 -4.895 1.00 0.00 N ATOM 1575 CA LEU A 128 1.241 -1.109 -4.817 1.00 0.00 C ATOM 1576 C LEU A 128 2.336 -0.076 -4.591 1.00 0.00 C ATOM 1577 O LEU A 128 3.119 -0.170 -3.645 1.00 0.00 O ATOM 1578 CB LEU A 128 0.179 -1.034 -3.713 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.678 0.238 -3.701 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.036 -0.050 -3.081 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.015 1.351 -2.933 1.00 0.00 C ATOM 0 H LEU A 128 1.477 -3.084 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 128 0.763 -0.881 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.482 -1.895 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.678 -1.123 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.816 0.564 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.635 0.861 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.546 -0.818 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.902 -0.399 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.612 2.242 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.184 1.033 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.971 1.577 -3.404 1.00 0.00 H new ATOM 1593 N GLY A 129 2.374 0.902 -5.478 1.00 0.00 N ATOM 1594 CA GLY A 129 3.358 1.951 -5.404 1.00 0.00 C ATOM 1595 C GLY A 129 2.753 3.263 -4.977 1.00 0.00 C ATOM 1596 O GLY A 129 1.857 3.791 -5.640 1.00 0.00 O ATOM 0 H GLY A 129 1.726 0.986 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.140 1.666 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.834 2.071 -6.377 1.00 0.00 H new ATOM 1600 N LEU A 130 3.229 3.784 -3.864 1.00 0.00 N ATOM 1601 CA LEU A 130 2.794 5.080 -3.390 1.00 0.00 C ATOM 1602 C LEU A 130 3.887 6.102 -3.668 1.00 0.00 C ATOM 1603 O LEU A 130 4.998 5.997 -3.145 1.00 0.00 O ATOM 1604 CB LEU A 130 2.473 5.021 -1.894 1.00 0.00 C ATOM 1605 CG LEU A 130 1.995 6.335 -1.270 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.760 6.861 -1.986 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.707 6.139 0.210 1.00 0.00 C ATOM 0 H LEU A 130 3.920 3.327 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 130 1.885 5.375 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.706 4.263 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.365 4.689 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 130 2.789 7.074 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.441 7.795 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.996 7.038 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.043 6.127 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.368 7.080 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.931 5.383 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.615 5.813 0.717 1.00 0.00 H new ATOM 1619 N THR A 131 3.588 7.066 -4.522 1.00 0.00 N ATOM 1620 CA THR A 131 4.570 8.062 -4.913 1.00 0.00 C ATOM 1621 C THR A 131 4.345 9.371 -4.163 1.00 0.00 C ATOM 1622 O THR A 131 3.539 10.199 -4.574 1.00 0.00 O ATOM 1623 CB THR A 131 4.509 8.326 -6.430 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.535 7.080 -7.139 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.676 9.194 -6.884 1.00 0.00 C ATOM 0 H THR A 131 2.673 7.180 -4.958 1.00 0.00 H new ATOM 0 HA THR A 131 5.555 7.670 -4.658 1.00 0.00 H new ATOM 0 HB THR A 131 3.581 8.856 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.494 7.251 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.607 9.364 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.642 10.151 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.615 8.689 -6.656 1.00 0.00 H new ATOM 1633 N CYS A 132 5.050 9.541 -3.059 1.00 0.00 N ATOM 1634 CA CYS A 132 4.962 10.759 -2.270 1.00 0.00 C ATOM 1635 C CYS A 132 6.138 11.670 -2.605 1.00 0.00 C ATOM 1636 O CYS A 132 7.210 11.197 -2.979 1.00 0.00 O ATOM 1637 CB CYS A 132 4.967 10.419 -0.775 1.00 0.00 C ATOM 1638 SG CYS A 132 3.854 9.047 -0.326 1.00 0.00 S ATOM 0 H CYS A 132 5.695 8.845 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 132 4.031 11.274 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.983 10.163 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.681 11.306 -0.210 1.00 0.00 H new ATOM 1643 N LEU A 133 5.924 12.971 -2.490 1.00 0.00 N ATOM 1644 CA LEU A 133 6.967 13.949 -2.783 1.00 0.00 C ATOM 1645 C LEU A 133 8.105 13.866 -1.769 1.00 0.00 C ATOM 1646 O LEU A 133 7.860 13.889 -0.562 1.00 0.00 O ATOM 1647 CB LEU A 133 6.381 15.364 -2.764 1.00 0.00 C ATOM 1648 CG LEU A 133 5.353 15.663 -3.853 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.661 16.989 -3.581 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.017 15.694 -5.218 1.00 0.00 C ATOM 0 H LEU A 133 5.036 13.378 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 133 7.364 13.724 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.916 15.533 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.199 16.079 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 133 4.606 14.869 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.932 17.187 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.153 16.944 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.401 17.789 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.269 15.908 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.783 16.469 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.476 14.727 -5.421 1.00 0.00 H new ATOM 1662 N GLU A 134 9.336 13.743 -2.261 1.00 0.00 N ATOM 1663 CA GLU A 134 10.515 13.872 -1.408 1.00 0.00 C ATOM 1664 C GLU A 134 10.554 15.265 -0.791 1.00 0.00 C ATOM 1665 O GLU A 134 10.780 16.236 -1.545 1.00 0.00 O ATOM 1666 CB GLU A 134 11.818 13.641 -2.191 1.00 0.00 C ATOM 1667 CG GLU A 134 12.181 12.181 -2.431 1.00 0.00 C ATOM 1668 CD GLU A 134 11.273 11.483 -3.420 1.00 0.00 C ATOM 1669 OE1 GLU A 134 10.834 12.128 -4.396 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.020 10.276 -3.237 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.368 15.384 0.435 1.00 0.00 O ATOM 0 H GLU A 134 9.542 13.555 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 134 10.441 13.110 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.737 14.142 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.636 14.118 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 134 13.208 12.126 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.148 11.647 -1.481 1.00 0.00 H new