USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1145 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 33 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Set 1.2: A 119 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 162:sc= 1.22 (180deg=-0.00409) USER MOD Set 2.2: A 54 SER OG : rot -121:sc= 2.26 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.905 USER MOD Set 3.2: A 53 HIS : +bothHN:sc= 2.03 K(o=2.9,f=-12!) USER MOD Set 4.1: A 8 SER OG : rot -76:sc= 1.04 USER MOD Set 4.2: A 51 TYR OH : rot 61:sc= 0.894 USER MOD Single : A 1 VAL N :NH3+ -121:sc= -0.783! (180deg=-1.37!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.183 F(o=-0.99,f=-0.18) USER MOD Single : A 18 GLN : amide:sc= -5.26! C(o=-5.3!,f=-8.7!) USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= 1.17 (180deg=1.01) USER MOD Single : A 29 THR OG1 : rot 111:sc= 0.353 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 1.22 (180deg=1.13) USER MOD Single : A 39 HIS :FLIP no HE2:sc= -0.0307 F(o=-0.56,f=-0.031) USER MOD Single : A 40 MET CE :methyl 172:sc= -0.31 (180deg=-0.624) USER MOD Single : A 43 MET CE :methyl 158:sc= 0 (180deg=-0.614) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 136:sc= 0.11 (180deg=-0.188) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 78:sc= -1.61! USER MOD Single : A 87 LYS NZ :NH3+ -116:sc= 0.759 (180deg=-0.362) USER MOD Single : A 90 LYS NZ :NH3+ -126:sc= -0.225 (180deg=-1.29) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0307 (180deg=-0.273) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.15) USER MOD Single : A 110 MET CE :methyl -113:sc= -1.37 (180deg=-1.81) USER MOD Single : A 113 MET CE :methyl 166:sc= -0.446 (180deg=-1.08) USER MOD Single : A 114 LYS NZ :NH3+ -159:sc= 2.11 (180deg=1.14) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -27:sc= 0.9 USER MOD Single : A 121 GLN :FLIP amide:sc= -5.86! C(o=-7.4!,f=-5.9!) USER MOD Single : A 124 THR OG1 : rot -82:sc= 0.794 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 63:sc= 1.23 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -152:sc= -0.238 (180deg=-1.42!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.023) USER MOD Single : A 142 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.74) USER MOD Single : A 143 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.16) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 119.733 3.402 -11.297 1.00 0.00 N ATOM 2 CA VAL A 1 120.079 4.809 -10.983 1.00 0.00 C ATOM 3 C VAL A 1 118.978 5.488 -10.173 1.00 0.00 C ATOM 4 O VAL A 1 119.199 6.546 -9.593 1.00 0.00 O ATOM 5 CB VAL A 1 120.342 5.640 -12.258 1.00 0.00 C ATOM 6 CG1 VAL A 1 121.400 4.979 -13.127 1.00 0.00 C ATOM 7 CG2 VAL A 1 119.053 5.863 -13.035 1.00 0.00 C ATOM 0 H1 VAL A 1 120.460 2.770 -10.904 1.00 0.00 H new ATOM 0 H2 VAL A 1 118.809 3.170 -10.879 1.00 0.00 H new ATOM 0 H3 VAL A 1 119.687 3.278 -12.329 1.00 0.00 H new ATOM 0 HA VAL A 1 120.994 4.769 -10.392 1.00 0.00 H new ATOM 0 HB VAL A 1 120.722 6.616 -11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 1 121.568 5.583 -14.019 1.00 0.00 H new ATOM 0 HG12 VAL A 1 122.331 4.894 -12.566 1.00 0.00 H new ATOM 0 HG13 VAL A 1 121.061 3.985 -13.420 1.00 0.00 H new ATOM 0 HG21 VAL A 1 119.264 6.451 -13.929 1.00 0.00 H new ATOM 0 HG22 VAL A 1 118.632 4.900 -13.325 1.00 0.00 H new ATOM 0 HG23 VAL A 1 118.339 6.398 -12.409 1.00 0.00 H new ATOM 19 N ALA A 2 117.786 4.900 -10.151 1.00 0.00 N ATOM 20 CA ALA A 2 116.698 5.448 -9.362 1.00 0.00 C ATOM 21 C ALA A 2 116.780 4.920 -7.939 1.00 0.00 C ATOM 22 O ALA A 2 117.402 3.883 -7.692 1.00 0.00 O ATOM 23 CB ALA A 2 115.353 5.114 -9.986 1.00 0.00 C ATOM 0 H ALA A 2 117.554 4.051 -10.667 1.00 0.00 H new ATOM 0 HA ALA A 2 116.792 6.534 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.554 5.536 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.303 5.535 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.236 4.032 -10.040 1.00 0.00 H new ATOM 29 N TYR A 3 116.168 5.635 -7.009 1.00 0.00 N ATOM 30 CA TYR A 3 116.251 5.281 -5.604 1.00 0.00 C ATOM 31 C TYR A 3 114.860 5.233 -4.995 1.00 0.00 C ATOM 32 O TYR A 3 114.038 6.122 -5.220 1.00 0.00 O ATOM 33 CB TYR A 3 117.139 6.286 -4.865 1.00 0.00 C ATOM 34 CG TYR A 3 118.483 6.481 -5.533 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.492 5.536 -5.396 1.00 0.00 C ATOM 36 CD2 TYR A 3 118.734 7.598 -6.320 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.714 5.702 -6.020 1.00 0.00 C ATOM 38 CE2 TYR A 3 119.951 7.769 -6.948 1.00 0.00 C ATOM 39 CZ TYR A 3 120.937 6.820 -6.794 1.00 0.00 C ATOM 40 OH TYR A 3 122.151 6.988 -7.418 1.00 0.00 O ATOM 0 H TYR A 3 115.608 6.465 -7.204 1.00 0.00 H new ATOM 0 HA TYR A 3 116.698 4.292 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.624 7.245 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.293 5.944 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.319 4.657 -4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 3 117.964 8.345 -6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.490 4.960 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 3 120.129 8.643 -7.557 1.00 0.00 H new ATOM 0 HH TYR A 3 122.145 7.826 -7.925 1.00 0.00 H new ATOM 50 N TRP A 4 114.587 4.178 -4.246 1.00 0.00 N ATOM 51 CA TRP A 4 113.260 3.958 -3.699 1.00 0.00 C ATOM 52 C TRP A 4 113.342 3.568 -2.229 1.00 0.00 C ATOM 53 O TRP A 4 114.421 3.297 -1.707 1.00 0.00 O ATOM 54 CB TRP A 4 112.547 2.852 -4.487 1.00 0.00 C ATOM 55 CG TRP A 4 112.599 3.041 -5.976 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.483 2.463 -6.844 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.741 3.869 -6.770 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.227 2.882 -8.127 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.163 3.743 -8.108 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.658 4.701 -6.481 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.538 4.420 -9.150 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.039 5.373 -7.517 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.480 5.228 -8.838 1.00 0.00 C ATOM 0 H TRP A 4 115.269 3.459 -4.003 1.00 0.00 H new ATOM 0 HA TRP A 4 112.695 4.886 -3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 4 112.997 1.892 -4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.505 2.808 -4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.268 1.777 -6.562 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.745 2.598 -8.958 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.310 4.817 -5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.877 4.311 -10.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.201 6.021 -7.305 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.974 5.765 -9.627 1.00 0.00 H new ATOM 74 N LEU A 5 112.197 3.550 -1.568 1.00 0.00 N ATOM 75 CA LEU A 5 112.108 3.085 -0.194 1.00 0.00 C ATOM 76 C LEU A 5 111.036 2.009 -0.109 1.00 0.00 C ATOM 77 O LEU A 5 109.889 2.238 -0.500 1.00 0.00 O ATOM 78 CB LEU A 5 111.784 4.257 0.751 1.00 0.00 C ATOM 79 CG LEU A 5 111.881 3.961 2.259 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.097 5.255 3.028 1.00 0.00 C ATOM 81 CD2 LEU A 5 110.624 3.264 2.776 1.00 0.00 C ATOM 0 H LEU A 5 111.308 3.855 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 5 113.065 2.666 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.459 5.081 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 5 110.773 4.603 0.534 1.00 0.00 H new ATOM 0 HG LEU A 5 112.728 3.293 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.165 5.038 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.021 5.727 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.260 5.930 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 5 110.728 3.071 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 5 109.758 3.903 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.488 2.320 2.248 1.00 0.00 H new ATOM 93 N VAL A 6 111.413 0.837 0.378 1.00 0.00 N ATOM 94 CA VAL A 6 110.473 -0.261 0.516 1.00 0.00 C ATOM 95 C VAL A 6 110.167 -0.527 1.985 1.00 0.00 C ATOM 96 O VAL A 6 111.071 -0.598 2.823 1.00 0.00 O ATOM 97 CB VAL A 6 110.982 -1.556 -0.162 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.042 -1.370 -1.671 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.344 -1.964 0.381 1.00 0.00 C ATOM 0 H VAL A 6 112.362 0.623 0.684 1.00 0.00 H new ATOM 0 HA VAL A 6 109.557 0.040 0.007 1.00 0.00 H new ATOM 0 HB VAL A 6 110.280 -2.358 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.401 -2.288 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.046 -1.137 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.721 -0.552 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.675 -2.877 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.064 -1.168 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.270 -2.140 1.454 1.00 0.00 H new ATOM 109 N LYS A 7 108.890 -0.647 2.292 1.00 0.00 N ATOM 110 CA LYS A 7 108.455 -0.920 3.646 1.00 0.00 C ATOM 111 C LYS A 7 108.282 -2.413 3.839 1.00 0.00 C ATOM 112 O LYS A 7 107.345 -3.011 3.313 1.00 0.00 O ATOM 113 CB LYS A 7 107.141 -0.201 3.928 1.00 0.00 C ATOM 114 CG LYS A 7 107.215 0.774 5.084 1.00 0.00 C ATOM 115 CD LYS A 7 106.044 1.739 5.066 1.00 0.00 C ATOM 116 CE LYS A 7 105.918 2.484 6.380 1.00 0.00 C ATOM 117 NZ LYS A 7 105.282 1.644 7.433 1.00 0.00 N ATOM 0 H LYS A 7 108.131 -0.559 1.616 1.00 0.00 H new ATOM 0 HA LYS A 7 109.211 -0.557 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.831 0.336 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 7 106.370 -0.942 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.222 0.225 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.150 1.332 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.172 2.453 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.123 1.191 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.906 2.800 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.328 3.388 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.482 2.050 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.254 1.616 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.665 0.678 7.385 1.00 0.00 H new ATOM 131 N SER A 8 109.200 -3.011 4.571 1.00 0.00 N ATOM 132 CA SER A 8 109.185 -4.443 4.772 1.00 0.00 C ATOM 133 C SER A 8 109.027 -4.775 6.248 1.00 0.00 C ATOM 134 O SER A 8 109.935 -4.539 7.051 1.00 0.00 O ATOM 135 CB SER A 8 110.479 -5.050 4.222 1.00 0.00 C ATOM 136 OG SER A 8 110.482 -6.467 4.312 1.00 0.00 O ATOM 0 H SER A 8 109.967 -2.525 5.037 1.00 0.00 H new ATOM 0 HA SER A 8 108.335 -4.868 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.605 -4.753 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.330 -4.650 4.773 1.00 0.00 H new ATOM 0 HG SER A 8 110.648 -6.736 5.240 1.00 0.00 H new ATOM 142 N GLU A 9 107.860 -5.283 6.610 1.00 0.00 N ATOM 143 CA GLU A 9 107.652 -5.813 7.945 1.00 0.00 C ATOM 144 C GLU A 9 108.397 -7.137 8.077 1.00 0.00 C ATOM 145 O GLU A 9 108.130 -8.082 7.330 1.00 0.00 O ATOM 146 CB GLU A 9 106.160 -6.015 8.240 1.00 0.00 C ATOM 147 CG GLU A 9 105.358 -4.722 8.362 1.00 0.00 C ATOM 148 CD GLU A 9 105.076 -4.054 7.029 1.00 0.00 C ATOM 149 OE1 GLU A 9 105.181 -4.734 5.986 1.00 0.00 O ATOM 150 OE2 GLU A 9 104.734 -2.850 7.027 1.00 0.00 O ATOM 0 H GLU A 9 107.045 -5.339 5.999 1.00 0.00 H new ATOM 0 HA GLU A 9 108.037 -5.096 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.725 -6.624 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.059 -6.579 9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 104.412 -4.937 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.902 -4.026 9.000 1.00 0.00 H new ATOM 157 N PRO A 10 109.339 -7.224 9.030 1.00 0.00 N ATOM 158 CA PRO A 10 110.207 -8.401 9.197 1.00 0.00 C ATOM 159 C PRO A 10 109.433 -9.671 9.541 1.00 0.00 C ATOM 160 O PRO A 10 109.979 -10.774 9.490 1.00 0.00 O ATOM 161 CB PRO A 10 111.134 -8.006 10.351 1.00 0.00 C ATOM 162 CG PRO A 10 110.412 -6.923 11.072 1.00 0.00 C ATOM 163 CD PRO A 10 109.637 -6.180 10.024 1.00 0.00 C ATOM 0 HA PRO A 10 110.732 -8.642 8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.331 -8.854 11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.099 -7.659 9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.747 -7.335 11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.110 -6.261 11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.727 -5.739 10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.220 -5.366 9.592 1.00 0.00 H new ATOM 171 N SER A 11 108.165 -9.512 9.895 1.00 0.00 N ATOM 172 CA SER A 11 107.301 -10.647 10.174 1.00 0.00 C ATOM 173 C SER A 11 107.063 -11.460 8.902 1.00 0.00 C ATOM 174 O SER A 11 106.882 -12.675 8.955 1.00 0.00 O ATOM 175 CB SER A 11 105.972 -10.161 10.754 1.00 0.00 C ATOM 176 OG SER A 11 106.185 -9.348 11.899 1.00 0.00 O ATOM 0 H SER A 11 107.712 -8.604 9.996 1.00 0.00 H new ATOM 0 HA SER A 11 107.789 -11.290 10.906 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.426 -9.596 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.353 -11.017 11.021 1.00 0.00 H new ATOM 0 HG SER A 11 105.322 -9.047 12.252 1.00 0.00 H new ATOM 182 N VAL A 12 107.081 -10.782 7.757 1.00 0.00 N ATOM 183 CA VAL A 12 106.898 -11.450 6.476 1.00 0.00 C ATOM 184 C VAL A 12 108.255 -11.794 5.870 1.00 0.00 C ATOM 185 O VAL A 12 108.625 -12.963 5.773 1.00 0.00 O ATOM 186 CB VAL A 12 106.101 -10.571 5.484 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.849 -11.317 4.180 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.791 -10.114 6.107 1.00 0.00 C ATOM 0 H VAL A 12 107.220 -9.774 7.692 1.00 0.00 H new ATOM 0 HA VAL A 12 106.329 -12.362 6.657 1.00 0.00 H new ATOM 0 HB VAL A 12 106.697 -9.687 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.287 -10.679 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.802 -11.585 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.277 -12.222 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.245 -9.497 5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.190 -10.984 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.999 -9.533 7.005 1.00 0.00 H new ATOM 198 N TRP A 13 108.990 -10.766 5.476 1.00 0.00 N ATOM 199 CA TRP A 13 110.332 -10.934 4.942 1.00 0.00 C ATOM 200 C TRP A 13 111.242 -9.888 5.575 1.00 0.00 C ATOM 201 O TRP A 13 110.779 -8.802 5.927 1.00 0.00 O ATOM 202 CB TRP A 13 110.320 -10.789 3.412 1.00 0.00 C ATOM 203 CG TRP A 13 111.592 -11.240 2.758 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.582 -10.449 2.249 1.00 0.00 C ATOM 205 CD2 TRP A 13 112.010 -12.593 2.542 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.591 -11.229 1.737 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.265 -12.547 1.910 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.444 -13.839 2.825 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.968 -13.696 1.564 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.140 -14.980 2.476 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.392 -14.902 1.855 1.00 0.00 C ATOM 0 H TRP A 13 108.675 -9.797 5.517 1.00 0.00 H new ATOM 0 HA TRP A 13 110.703 -11.931 5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.488 -11.366 3.007 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.139 -9.745 3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.573 -9.369 2.249 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.444 -10.882 1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.480 -13.909 3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.933 -13.638 1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.711 -15.949 2.686 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.914 -15.813 1.600 1.00 0.00 H new ATOM 222 N SER A 14 112.519 -10.203 5.740 1.00 0.00 N ATOM 223 CA SER A 14 113.426 -9.266 6.377 1.00 0.00 C ATOM 224 C SER A 14 114.782 -9.223 5.672 1.00 0.00 C ATOM 225 O SER A 14 115.117 -10.101 4.871 1.00 0.00 O ATOM 226 CB SER A 14 113.609 -9.609 7.856 1.00 0.00 C ATOM 227 OG SER A 14 114.235 -8.540 8.546 1.00 0.00 O ATOM 0 H SER A 14 112.942 -11.084 5.447 1.00 0.00 H new ATOM 0 HA SER A 14 112.977 -8.276 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 112.640 -9.822 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 14 114.211 -10.513 7.953 1.00 0.00 H new ATOM 0 HG SER A 14 114.342 -8.778 9.491 1.00 0.00 H new ATOM 233 N TRP A 15 115.555 -8.197 6.017 1.00 0.00 N ATOM 234 CA TRP A 15 116.844 -7.910 5.397 1.00 0.00 C ATOM 235 C TRP A 15 117.812 -9.085 5.514 1.00 0.00 C ATOM 236 O TRP A 15 118.479 -9.435 4.545 1.00 0.00 O ATOM 237 CB TRP A 15 117.437 -6.653 6.051 1.00 0.00 C ATOM 238 CG TRP A 15 118.835 -6.319 5.621 1.00 0.00 C ATOM 239 CD1 TRP A 15 119.960 -6.394 6.392 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.260 -5.852 4.335 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.057 -6.000 5.667 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.656 -5.665 4.400 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.602 -5.574 3.135 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.399 -5.216 3.313 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.341 -5.128 2.056 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.728 -4.953 2.152 1.00 0.00 C ATOM 0 H TRP A 15 115.299 -7.532 6.747 1.00 0.00 H new ATOM 0 HA TRP A 15 116.687 -7.740 4.332 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.791 -5.805 5.827 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.426 -6.784 7.133 1.00 0.00 H new ATOM 0 HD1 TRP A 15 119.983 -6.716 7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.015 -5.963 6.015 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.533 -5.705 3.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.468 -5.080 3.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.841 -4.911 1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 15 121.278 -4.603 1.291 1.00 0.00 H new ATOM 257 N ASP A 16 117.860 -9.702 6.692 1.00 0.00 N ATOM 258 CA ASP A 16 118.801 -10.796 6.964 1.00 0.00 C ATOM 259 C ASP A 16 118.689 -11.903 5.926 1.00 0.00 C ATOM 260 O ASP A 16 119.696 -12.428 5.446 1.00 0.00 O ATOM 261 CB ASP A 16 118.553 -11.396 8.347 1.00 0.00 C ATOM 262 CG ASP A 16 118.686 -10.382 9.459 1.00 0.00 C ATOM 263 OD1 ASP A 16 119.810 -9.893 9.698 1.00 0.00 O ATOM 264 OD2 ASP A 16 117.665 -10.078 10.107 1.00 0.00 O ATOM 0 H ASP A 16 117.257 -9.465 7.480 1.00 0.00 H new ATOM 0 HA ASP A 16 119.802 -10.367 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 16 117.554 -11.830 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 16 119.259 -12.209 8.517 1.00 0.00 H new ATOM 269 N GLN A 17 117.458 -12.248 5.576 1.00 0.00 N ATOM 270 CA GLN A 17 117.205 -13.328 4.633 1.00 0.00 C ATOM 271 C GLN A 17 117.506 -12.892 3.211 1.00 0.00 C ATOM 272 O GLN A 17 117.907 -13.700 2.376 1.00 0.00 O ATOM 273 CB GLN A 17 115.761 -13.807 4.760 1.00 0.00 C ATOM 274 CG GLN A 17 115.489 -14.473 6.095 1.00 0.00 C ATOM 275 CD GLN A 17 114.031 -14.817 6.317 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.327 -15.135 5.250 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 113.548 -14.809 7.450 1.00 0.00 N flip ATOM 0 H GLN A 17 116.617 -11.794 5.932 1.00 0.00 H new ATOM 0 HA GLN A 17 117.870 -14.158 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.087 -12.959 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.542 -14.509 3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 17 116.083 -15.384 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.824 -13.813 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 17 114.128 -14.557 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 112.568 -15.055 7.588 1.00 0.00 H new ATOM 286 N GLN A 18 117.348 -11.607 2.942 1.00 0.00 N ATOM 287 CA GLN A 18 117.635 -11.083 1.622 1.00 0.00 C ATOM 288 C GLN A 18 119.142 -10.916 1.442 1.00 0.00 C ATOM 289 O GLN A 18 119.640 -10.876 0.321 1.00 0.00 O ATOM 290 CB GLN A 18 116.897 -9.762 1.391 1.00 0.00 C ATOM 291 CG GLN A 18 116.926 -9.290 -0.054 1.00 0.00 C ATOM 292 CD GLN A 18 116.301 -10.284 -1.024 1.00 0.00 C ATOM 293 OE1 GLN A 18 116.328 -11.493 -0.811 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.729 -9.776 -2.098 1.00 0.00 N ATOM 0 H GLN A 18 117.025 -10.913 3.616 1.00 0.00 H new ATOM 0 HA GLN A 18 117.278 -11.793 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.860 -9.876 1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.340 -8.993 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.399 -8.339 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 18 117.959 -9.106 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.724 -8.767 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.291 -10.392 -2.783 1.00 0.00 H new ATOM 303 N VAL A 19 119.860 -10.822 2.559 1.00 0.00 N ATOM 304 CA VAL A 19 121.319 -10.856 2.537 1.00 0.00 C ATOM 305 C VAL A 19 121.786 -12.265 2.202 1.00 0.00 C ATOM 306 O VAL A 19 122.752 -12.455 1.460 1.00 0.00 O ATOM 307 CB VAL A 19 121.929 -10.422 3.888 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.447 -10.544 3.868 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.524 -8.998 4.219 1.00 0.00 C ATOM 0 H VAL A 19 119.455 -10.722 3.490 1.00 0.00 H new ATOM 0 HA VAL A 19 121.657 -10.151 1.777 1.00 0.00 H new ATOM 0 HB VAL A 19 121.543 -11.088 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.850 -10.232 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.726 -11.580 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.853 -9.907 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.962 -8.708 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.881 -8.327 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.438 -8.934 4.284 1.00 0.00 H new ATOM 319 N ALA A 20 121.079 -13.250 2.745 1.00 0.00 N ATOM 320 CA ALA A 20 121.360 -14.646 2.452 1.00 0.00 C ATOM 321 C ALA A 20 121.105 -14.933 0.976 1.00 0.00 C ATOM 322 O ALA A 20 121.812 -15.724 0.350 1.00 0.00 O ATOM 323 CB ALA A 20 120.512 -15.553 3.329 1.00 0.00 C ATOM 0 H ALA A 20 120.305 -13.104 3.393 1.00 0.00 H new ATOM 0 HA ALA A 20 122.409 -14.846 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.734 -16.595 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.737 -15.359 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.456 -15.357 3.142 1.00 0.00 H new ATOM 329 N LYS A 21 120.093 -14.274 0.425 1.00 0.00 N ATOM 330 CA LYS A 21 119.790 -14.378 -0.996 1.00 0.00 C ATOM 331 C LYS A 21 120.394 -13.201 -1.756 1.00 0.00 C ATOM 332 O LYS A 21 119.963 -12.880 -2.861 1.00 0.00 O ATOM 333 CB LYS A 21 118.277 -14.419 -1.229 1.00 0.00 C ATOM 334 CG LYS A 21 117.579 -15.565 -0.521 1.00 0.00 C ATOM 335 CD LYS A 21 116.156 -15.749 -1.022 1.00 0.00 C ATOM 336 CE LYS A 21 115.452 -16.873 -0.285 1.00 0.00 C ATOM 337 NZ LYS A 21 114.131 -17.190 -0.886 1.00 0.00 N ATOM 0 H LYS A 21 119.466 -13.659 0.944 1.00 0.00 H new ATOM 0 HA LYS A 21 120.227 -15.306 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.842 -13.478 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 21 118.086 -14.495 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 21 118.142 -16.486 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.566 -15.376 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.599 -14.821 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.170 -15.964 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 116.080 -17.764 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.317 -16.593 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.455 -17.428 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.783 -16.365 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 114.229 -17.999 -1.532 1.00 0.00 H new ATOM 351 N GLY A 22 121.408 -12.580 -1.169 1.00 0.00 N ATOM 352 CA GLY A 22 122.028 -11.416 -1.775 1.00 0.00 C ATOM 353 C GLY A 22 122.765 -11.742 -3.055 1.00 0.00 C ATOM 354 O GLY A 22 123.030 -10.860 -3.872 1.00 0.00 O ATOM 0 H GLY A 22 121.815 -12.863 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.262 -10.669 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.724 -10.970 -1.064 1.00 0.00 H new ATOM 358 N ALA A 23 123.109 -13.007 -3.227 1.00 0.00 N ATOM 359 CA ALA A 23 123.783 -13.451 -4.430 1.00 0.00 C ATOM 360 C ALA A 23 122.784 -14.025 -5.430 1.00 0.00 C ATOM 361 O ALA A 23 123.128 -14.286 -6.583 1.00 0.00 O ATOM 362 CB ALA A 23 124.844 -14.483 -4.083 1.00 0.00 C ATOM 0 H ALA A 23 122.931 -13.745 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 23 124.268 -12.591 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 125.345 -14.810 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.575 -14.040 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.374 -15.339 -3.599 1.00 0.00 H new ATOM 368 N ALA A 24 121.546 -14.208 -4.983 1.00 0.00 N ATOM 369 CA ALA A 24 120.513 -14.814 -5.812 1.00 0.00 C ATOM 370 C ALA A 24 119.454 -13.793 -6.216 1.00 0.00 C ATOM 371 O ALA A 24 119.350 -13.426 -7.388 1.00 0.00 O ATOM 372 CB ALA A 24 119.874 -15.986 -5.081 1.00 0.00 C ATOM 0 H ALA A 24 121.234 -13.944 -4.048 1.00 0.00 H new ATOM 0 HA ALA A 24 120.984 -15.181 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 24 119.103 -16.431 -5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 120.635 -16.733 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 24 119.425 -15.634 -4.152 1.00 0.00 H new ATOM 378 N GLY A 25 118.683 -13.323 -5.243 1.00 0.00 N ATOM 379 CA GLY A 25 117.610 -12.396 -5.525 1.00 0.00 C ATOM 380 C GLY A 25 116.245 -13.007 -5.286 1.00 0.00 C ATOM 381 O GLY A 25 116.067 -14.223 -5.407 1.00 0.00 O ATOM 0 H GLY A 25 118.785 -13.571 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.724 -11.511 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.681 -12.065 -6.561 1.00 0.00 H new ATOM 385 N GLU A 26 115.287 -12.167 -4.935 1.00 0.00 N ATOM 386 CA GLU A 26 113.914 -12.600 -4.731 1.00 0.00 C ATOM 387 C GLU A 26 112.957 -11.510 -5.203 1.00 0.00 C ATOM 388 O GLU A 26 113.243 -10.318 -5.064 1.00 0.00 O ATOM 389 CB GLU A 26 113.659 -12.961 -3.257 1.00 0.00 C ATOM 390 CG GLU A 26 112.208 -13.324 -2.973 1.00 0.00 C ATOM 391 CD GLU A 26 112.015 -14.153 -1.719 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.512 -15.301 -1.674 1.00 0.00 O ATOM 393 OE2 GLU A 26 111.323 -13.684 -0.795 1.00 0.00 O ATOM 0 H GLU A 26 115.437 -11.169 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 26 113.739 -13.501 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.298 -13.799 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.946 -12.118 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.625 -12.407 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.808 -13.874 -3.825 1.00 0.00 H new ATOM 400 N ALA A 27 111.832 -11.921 -5.767 1.00 0.00 N ATOM 401 CA ALA A 27 110.880 -10.996 -6.357 1.00 0.00 C ATOM 402 C ALA A 27 109.958 -10.386 -5.315 1.00 0.00 C ATOM 403 O ALA A 27 109.440 -11.080 -4.435 1.00 0.00 O ATOM 404 CB ALA A 27 110.076 -11.692 -7.440 1.00 0.00 C ATOM 0 H ALA A 27 111.555 -12.901 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 27 111.447 -10.179 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 27 109.366 -10.989 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.749 -12.055 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.535 -12.533 -7.007 1.00 0.00 H new ATOM 410 N TRP A 28 109.766 -9.083 -5.422 1.00 0.00 N ATOM 411 CA TRP A 28 108.854 -8.365 -4.553 1.00 0.00 C ATOM 412 C TRP A 28 107.460 -8.398 -5.171 1.00 0.00 C ATOM 413 O TRP A 28 107.067 -7.488 -5.900 1.00 0.00 O ATOM 414 CB TRP A 28 109.341 -6.923 -4.365 1.00 0.00 C ATOM 415 CG TRP A 28 108.912 -6.296 -3.073 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.015 -5.281 -2.905 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.376 -6.644 -1.763 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.898 -4.973 -1.569 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.721 -5.800 -0.848 1.00 0.00 C ATOM 420 CE3 TRP A 28 110.283 -7.591 -1.274 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.940 -5.874 0.524 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.500 -7.663 0.089 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.831 -6.809 0.974 1.00 0.00 C ATOM 0 H TRP A 28 110.236 -8.496 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 28 108.818 -8.837 -3.571 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.430 -6.908 -4.420 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.972 -6.316 -5.191 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.476 -4.792 -3.703 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.297 -4.247 -1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.804 -8.253 -1.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.425 -5.217 1.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 111.197 -8.390 0.478 1.00 0.00 H new ATOM 0 HH2 TRP A 28 110.022 -6.890 2.034 1.00 0.00 H new ATOM 434 N THR A 29 106.750 -9.487 -4.917 1.00 0.00 N ATOM 435 CA THR A 29 105.442 -9.724 -5.514 1.00 0.00 C ATOM 436 C THR A 29 104.341 -9.700 -4.455 1.00 0.00 C ATOM 437 O THR A 29 104.604 -9.906 -3.265 1.00 0.00 O ATOM 438 CB THR A 29 105.426 -11.077 -6.280 1.00 0.00 C ATOM 439 OG1 THR A 29 104.099 -11.609 -6.373 1.00 0.00 O ATOM 440 CG2 THR A 29 106.330 -12.102 -5.611 1.00 0.00 C ATOM 0 H THR A 29 107.063 -10.231 -4.293 1.00 0.00 H new ATOM 0 HA THR A 29 105.248 -8.920 -6.224 1.00 0.00 H new ATOM 0 HB THR A 29 105.799 -10.875 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 29 103.793 -11.565 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 29 106.297 -13.037 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 29 107.353 -11.727 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 29 105.989 -12.277 -4.591 1.00 0.00 H new ATOM 448 N GLY A 30 103.116 -9.431 -4.893 1.00 0.00 N ATOM 449 CA GLY A 30 101.984 -9.418 -3.990 1.00 0.00 C ATOM 450 C GLY A 30 101.562 -8.015 -3.608 1.00 0.00 C ATOM 451 O GLY A 30 100.975 -7.801 -2.542 1.00 0.00 O ATOM 0 H GLY A 30 102.888 -9.221 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 30 101.144 -9.932 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 102.236 -9.976 -3.088 1.00 0.00 H new ATOM 455 N VAL A 31 101.859 -7.057 -4.471 1.00 0.00 N ATOM 456 CA VAL A 31 101.524 -5.664 -4.209 1.00 0.00 C ATOM 457 C VAL A 31 100.181 -5.295 -4.834 1.00 0.00 C ATOM 458 O VAL A 31 99.863 -5.724 -5.941 1.00 0.00 O ATOM 459 CB VAL A 31 102.619 -4.709 -4.729 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.920 -4.931 -3.974 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.835 -4.884 -6.227 1.00 0.00 C ATOM 0 H VAL A 31 102.332 -7.217 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 31 101.454 -5.552 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 31 102.284 -3.686 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.682 -4.250 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.761 -4.743 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.251 -5.960 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.612 -4.198 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.141 -5.910 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.906 -4.669 -6.756 1.00 0.00 H new ATOM 471 N ARG A 32 99.388 -4.518 -4.109 1.00 0.00 N ATOM 472 CA ARG A 32 98.092 -4.081 -4.612 1.00 0.00 C ATOM 473 C ARG A 32 97.976 -2.559 -4.553 1.00 0.00 C ATOM 474 O ARG A 32 97.024 -1.973 -5.074 1.00 0.00 O ATOM 475 CB ARG A 32 96.963 -4.721 -3.801 1.00 0.00 C ATOM 476 CG ARG A 32 95.586 -4.546 -4.425 1.00 0.00 C ATOM 477 CD ARG A 32 94.480 -4.909 -3.449 1.00 0.00 C ATOM 478 NE ARG A 32 94.447 -4.002 -2.303 1.00 0.00 N ATOM 479 CZ ARG A 32 93.391 -3.836 -1.513 1.00 0.00 C ATOM 480 NH1 ARG A 32 92.293 -4.557 -1.705 1.00 0.00 N ATOM 481 NH2 ARG A 32 93.445 -2.963 -0.518 1.00 0.00 N ATOM 0 H ARG A 32 99.617 -4.178 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 32 98.006 -4.398 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.168 -5.785 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.956 -4.289 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 32 95.461 -3.513 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 32 95.507 -5.171 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 32 93.519 -4.881 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 32 94.625 -5.931 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 32 95.288 -3.462 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 32 92.258 -5.241 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 91.485 -4.427 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 32 94.295 -2.421 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 32 92.637 -2.833 0.090 1.00 0.00 H new ATOM 495 N ASN A 33 98.951 -1.920 -3.920 1.00 0.00 N ATOM 496 CA ASN A 33 98.944 -0.468 -3.782 1.00 0.00 C ATOM 497 C ASN A 33 99.203 0.185 -5.130 1.00 0.00 C ATOM 498 O ASN A 33 100.285 0.045 -5.699 1.00 0.00 O ATOM 499 CB ASN A 33 99.989 0.000 -2.762 1.00 0.00 C ATOM 500 CG ASN A 33 99.686 -0.461 -1.347 1.00 0.00 C ATOM 501 OD1 ASN A 33 99.095 -1.519 -1.135 1.00 0.00 O ATOM 502 ND2 ASN A 33 100.084 0.333 -0.366 1.00 0.00 N ATOM 0 H ASN A 33 99.755 -2.382 -3.495 1.00 0.00 H new ATOM 0 HA ASN A 33 97.961 -0.169 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.970 -0.373 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.044 1.088 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.903 0.075 0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.572 1.203 -0.580 1.00 0.00 H new ATOM 509 N HIS A 34 98.200 0.894 -5.629 1.00 0.00 N ATOM 510 CA HIS A 34 98.254 1.495 -6.955 1.00 0.00 C ATOM 511 C HIS A 34 99.459 2.424 -7.093 1.00 0.00 C ATOM 512 O HIS A 34 100.201 2.345 -8.073 1.00 0.00 O ATOM 513 CB HIS A 34 96.955 2.257 -7.239 1.00 0.00 C ATOM 514 CG HIS A 34 96.749 2.577 -8.686 1.00 0.00 C ATOM 515 ND1 HIS A 34 96.021 1.775 -9.535 1.00 0.00 N ATOM 516 CD2 HIS A 34 97.187 3.613 -9.436 1.00 0.00 C ATOM 517 CE1 HIS A 34 96.023 2.299 -10.744 1.00 0.00 C ATOM 518 NE2 HIS A 34 96.723 3.419 -10.712 1.00 0.00 N ATOM 0 H HIS A 34 97.329 1.069 -5.128 1.00 0.00 H new ATOM 0 HA HIS A 34 98.365 0.695 -7.687 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.112 1.665 -6.883 1.00 0.00 H new ATOM 0 HB3 HIS A 34 96.956 3.185 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 34 97.791 4.440 -9.094 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.535 1.883 -11.613 1.00 0.00 H new ATOM 0 HE2 HIS A 34 96.891 4.038 -11.506 1.00 0.00 H new ATOM 527 N SER A 35 99.658 3.288 -6.103 1.00 0.00 N ATOM 528 CA SER A 35 100.774 4.228 -6.114 1.00 0.00 C ATOM 529 C SER A 35 102.109 3.485 -6.091 1.00 0.00 C ATOM 530 O SER A 35 103.040 3.819 -6.833 1.00 0.00 O ATOM 531 CB SER A 35 100.668 5.168 -4.911 1.00 0.00 C ATOM 532 OG SER A 35 99.378 5.752 -4.846 1.00 0.00 O ATOM 0 H SER A 35 99.059 3.357 -5.280 1.00 0.00 H new ATOM 0 HA SER A 35 100.729 4.814 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.870 4.616 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.424 5.950 -4.986 1.00 0.00 H new ATOM 0 HG SER A 35 99.328 6.348 -4.070 1.00 0.00 H new ATOM 538 N ALA A 36 102.185 2.460 -5.249 1.00 0.00 N ATOM 539 CA ALA A 36 103.389 1.655 -5.131 1.00 0.00 C ATOM 540 C ALA A 36 103.695 0.956 -6.448 1.00 0.00 C ATOM 541 O ALA A 36 104.835 0.955 -6.906 1.00 0.00 O ATOM 542 CB ALA A 36 103.236 0.638 -4.012 1.00 0.00 C ATOM 0 H ALA A 36 101.423 2.169 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 36 104.224 2.313 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.145 0.042 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.062 1.157 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.391 -0.016 -4.228 1.00 0.00 H new ATOM 548 N LYS A 37 102.659 0.389 -7.060 1.00 0.00 N ATOM 549 CA LYS A 37 102.800 -0.329 -8.320 1.00 0.00 C ATOM 550 C LYS A 37 103.397 0.573 -9.394 1.00 0.00 C ATOM 551 O LYS A 37 104.297 0.169 -10.124 1.00 0.00 O ATOM 552 CB LYS A 37 101.443 -0.842 -8.800 1.00 0.00 C ATOM 553 CG LYS A 37 101.543 -2.012 -9.765 1.00 0.00 C ATOM 554 CD LYS A 37 100.521 -1.920 -10.886 1.00 0.00 C ATOM 555 CE LYS A 37 101.012 -1.036 -12.023 1.00 0.00 C ATOM 556 NZ LYS A 37 100.162 -1.172 -13.235 1.00 0.00 N ATOM 0 H LYS A 37 101.706 0.415 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 37 103.468 -1.173 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.851 -1.144 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.906 -0.027 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.546 -2.044 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.398 -2.944 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 37 100.308 -2.919 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.585 -1.522 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.018 0.004 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.041 -1.299 -12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.743 -1.023 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 99.747 -2.125 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 99.401 -0.463 -13.207 1.00 0.00 H new ATOM 570 N LEU A 38 102.886 1.800 -9.480 1.00 0.00 N ATOM 571 CA LEU A 38 103.350 2.762 -10.476 1.00 0.00 C ATOM 572 C LEU A 38 104.833 3.062 -10.293 1.00 0.00 C ATOM 573 O LEU A 38 105.571 3.215 -11.264 1.00 0.00 O ATOM 574 CB LEU A 38 102.540 4.057 -10.394 1.00 0.00 C ATOM 575 CG LEU A 38 101.050 3.916 -10.708 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.352 5.261 -10.577 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.845 3.343 -12.104 1.00 0.00 C ATOM 0 H LEU A 38 102.148 2.151 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 38 103.205 2.319 -11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.646 4.470 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.973 4.781 -11.084 1.00 0.00 H new ATOM 0 HG LEU A 38 100.612 3.225 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.292 5.145 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.467 5.633 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.796 5.971 -11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.778 3.251 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 38 101.298 4.007 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.312 2.360 -12.166 1.00 0.00 H new ATOM 589 N HIS A 39 105.268 3.131 -9.041 1.00 0.00 N ATOM 590 CA HIS A 39 106.674 3.385 -8.744 1.00 0.00 C ATOM 591 C HIS A 39 107.524 2.161 -9.063 1.00 0.00 C ATOM 592 O HIS A 39 108.688 2.285 -9.434 1.00 0.00 O ATOM 593 CB HIS A 39 106.867 3.784 -7.276 1.00 0.00 C ATOM 594 CG HIS A 39 106.192 5.067 -6.888 1.00 0.00 C ATOM 595 ND1 HIS A 39 105.525 5.408 -5.759 1.00 0.00 N flip ATOM 596 CD2 HIS A 39 106.155 6.184 -7.696 1.00 0.00 C flip ATOM 597 CE1 HIS A 39 105.105 6.706 -5.905 1.00 0.00 C flip ATOM 598 NE2 HIS A 39 105.499 7.150 -7.082 1.00 0.00 N flip ATOM 0 H HIS A 39 104.674 3.016 -8.220 1.00 0.00 H new ATOM 0 HA HIS A 39 106.998 4.214 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.489 2.982 -6.642 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.934 3.874 -7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 39 105.364 4.809 -4.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 106.595 6.257 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 39 104.544 7.271 -5.176 1.00 0.00 H new ATOM 607 N MET A 40 106.930 0.982 -8.935 1.00 0.00 N ATOM 608 CA MET A 40 107.634 -0.265 -9.213 1.00 0.00 C ATOM 609 C MET A 40 107.813 -0.463 -10.715 1.00 0.00 C ATOM 610 O MET A 40 108.702 -1.189 -11.148 1.00 0.00 O ATOM 611 CB MET A 40 106.889 -1.455 -8.601 1.00 0.00 C ATOM 612 CG MET A 40 106.860 -1.433 -7.081 1.00 0.00 C ATOM 613 SD MET A 40 105.903 -2.789 -6.377 1.00 0.00 S ATOM 614 CE MET A 40 106.817 -4.205 -6.984 1.00 0.00 C ATOM 0 H MET A 40 105.961 0.862 -8.640 1.00 0.00 H new ATOM 0 HA MET A 40 108.622 -0.205 -8.756 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.866 -1.465 -8.976 1.00 0.00 H new ATOM 0 HB3 MET A 40 107.360 -2.380 -8.935 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.881 -1.481 -6.703 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.440 -0.485 -6.744 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.433 -5.113 -6.518 1.00 0.00 H new ATOM 0 HE2 MET A 40 106.702 -4.276 -8.066 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.873 -4.089 -6.738 1.00 0.00 H new ATOM 624 N VAL A 41 106.967 0.192 -11.504 1.00 0.00 N ATOM 625 CA VAL A 41 107.089 0.150 -12.961 1.00 0.00 C ATOM 626 C VAL A 41 108.312 0.948 -13.412 1.00 0.00 C ATOM 627 O VAL A 41 108.917 0.660 -14.446 1.00 0.00 O ATOM 628 CB VAL A 41 105.824 0.711 -13.658 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.965 0.661 -15.174 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.585 -0.055 -13.221 1.00 0.00 C ATOM 0 H VAL A 41 106.190 0.758 -11.162 1.00 0.00 H new ATOM 0 HA VAL A 41 107.203 -0.895 -13.249 1.00 0.00 H new ATOM 0 HB VAL A 41 105.715 1.753 -13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 41 105.063 1.061 -15.637 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.824 1.258 -15.479 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.109 -0.372 -15.492 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.708 0.355 -13.722 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.695 -1.107 -13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.462 0.037 -12.142 1.00 0.00 H new ATOM 640 N ALA A 42 108.679 1.943 -12.616 1.00 0.00 N ATOM 641 CA ALA A 42 109.813 2.794 -12.936 1.00 0.00 C ATOM 642 C ALA A 42 111.117 2.157 -12.471 1.00 0.00 C ATOM 643 O ALA A 42 112.203 2.610 -12.832 1.00 0.00 O ATOM 644 CB ALA A 42 109.636 4.168 -12.310 1.00 0.00 C ATOM 0 H ALA A 42 108.206 2.180 -11.744 1.00 0.00 H new ATOM 0 HA ALA A 42 109.860 2.909 -14.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.493 4.794 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.726 4.629 -12.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.562 4.068 -11.227 1.00 0.00 H new ATOM 650 N MET A 43 110.995 1.108 -11.667 1.00 0.00 N ATOM 651 CA MET A 43 112.158 0.372 -11.179 1.00 0.00 C ATOM 652 C MET A 43 112.806 -0.429 -12.300 1.00 0.00 C ATOM 653 O MET A 43 112.194 -1.339 -12.866 1.00 0.00 O ATOM 654 CB MET A 43 111.768 -0.574 -10.043 1.00 0.00 C ATOM 655 CG MET A 43 111.289 0.132 -8.790 1.00 0.00 C ATOM 656 SD MET A 43 110.830 -1.023 -7.482 1.00 0.00 S ATOM 657 CE MET A 43 110.391 0.110 -6.170 1.00 0.00 C ATOM 0 H MET A 43 110.100 0.746 -11.337 1.00 0.00 H new ATOM 0 HA MET A 43 112.873 1.104 -10.805 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.982 -1.242 -10.394 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.627 -1.196 -9.791 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.075 0.794 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.432 0.759 -9.035 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.736 -0.393 -5.459 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.294 0.442 -5.659 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.875 0.972 -6.592 1.00 0.00 H new ATOM 667 N ARG A 44 114.041 -0.086 -12.619 1.00 0.00 N ATOM 668 CA ARG A 44 114.798 -0.811 -13.622 1.00 0.00 C ATOM 669 C ARG A 44 116.021 -1.467 -12.993 1.00 0.00 C ATOM 670 O ARG A 44 116.339 -1.227 -11.827 1.00 0.00 O ATOM 671 CB ARG A 44 115.224 0.117 -14.761 1.00 0.00 C ATOM 672 CG ARG A 44 116.102 1.276 -14.319 1.00 0.00 C ATOM 673 CD ARG A 44 116.567 2.101 -15.505 1.00 0.00 C ATOM 674 NE ARG A 44 117.318 1.293 -16.467 1.00 0.00 N ATOM 675 CZ ARG A 44 117.529 1.643 -17.735 1.00 0.00 C ATOM 676 NH1 ARG A 44 117.039 2.786 -18.205 1.00 0.00 N ATOM 677 NH2 ARG A 44 118.232 0.850 -18.536 1.00 0.00 N ATOM 0 H ARG A 44 114.543 0.694 -12.195 1.00 0.00 H new ATOM 0 HA ARG A 44 114.155 -1.588 -14.035 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.760 -0.466 -15.510 1.00 0.00 H new ATOM 0 HB3 ARG A 44 114.332 0.514 -15.245 1.00 0.00 H new ATOM 0 HG2 ARG A 44 115.549 1.911 -13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 44 116.967 0.893 -13.778 1.00 0.00 H new ATOM 0 HD2 ARG A 44 115.703 2.546 -15.999 1.00 0.00 H new ATOM 0 HD3 ARG A 44 117.192 2.922 -15.154 1.00 0.00 H new ATOM 0 HE ARG A 44 117.704 0.405 -16.146 1.00 0.00 H new ATOM 0 HH11 ARG A 44 116.499 3.399 -17.594 1.00 0.00 H new ATOM 0 HH12 ARG A 44 117.203 3.050 -19.176 1.00 0.00 H new ATOM 0 HH21 ARG A 44 118.611 -0.028 -18.180 1.00 0.00 H new ATOM 0 HH22 ARG A 44 118.393 1.119 -19.507 1.00 0.00 H new ATOM 691 N ARG A 45 116.712 -2.283 -13.770 1.00 0.00 N ATOM 692 CA ARG A 45 117.873 -3.006 -13.277 1.00 0.00 C ATOM 693 C ARG A 45 119.005 -2.028 -12.978 1.00 0.00 C ATOM 694 O ARG A 45 119.400 -1.244 -13.845 1.00 0.00 O ATOM 695 CB ARG A 45 118.314 -4.039 -14.314 1.00 0.00 C ATOM 696 CG ARG A 45 119.225 -5.118 -13.757 1.00 0.00 C ATOM 697 CD ARG A 45 119.598 -6.138 -14.820 1.00 0.00 C ATOM 698 NE ARG A 45 118.430 -6.656 -15.528 1.00 0.00 N ATOM 699 CZ ARG A 45 118.396 -7.812 -16.185 1.00 0.00 C ATOM 700 NH1 ARG A 45 119.446 -8.624 -16.176 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.301 -8.152 -16.853 1.00 0.00 N ATOM 0 H ARG A 45 116.488 -2.462 -14.749 1.00 0.00 H new ATOM 0 HA ARG A 45 117.613 -3.525 -12.355 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.429 -4.510 -14.743 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.828 -3.527 -15.127 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.130 -4.660 -13.357 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.729 -5.621 -12.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 120.280 -5.680 -15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 45 120.134 -6.965 -14.354 1.00 0.00 H new ATOM 0 HE ARG A 45 117.581 -6.091 -15.518 1.00 0.00 H new ATOM 0 HH11 ARG A 45 120.288 -8.363 -15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 45 119.411 -9.509 -16.683 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.494 -7.529 -16.860 1.00 0.00 H new ATOM 0 HH22 ARG A 45 117.267 -9.037 -17.359 1.00 0.00 H new ATOM 715 N GLY A 46 119.522 -2.060 -11.753 1.00 0.00 N ATOM 716 CA GLY A 46 120.544 -1.112 -11.369 1.00 0.00 C ATOM 717 C GLY A 46 119.988 0.011 -10.518 1.00 0.00 C ATOM 718 O GLY A 46 120.713 0.932 -10.131 1.00 0.00 O ATOM 0 H GLY A 46 119.251 -2.722 -11.026 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.329 -1.629 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 46 121.005 -0.694 -12.264 1.00 0.00 H new ATOM 722 N ASP A 47 118.689 -0.036 -10.255 1.00 0.00 N ATOM 723 CA ASP A 47 118.074 0.898 -9.322 1.00 0.00 C ATOM 724 C ASP A 47 118.260 0.401 -7.902 1.00 0.00 C ATOM 725 O ASP A 47 118.476 -0.792 -7.680 1.00 0.00 O ATOM 726 CB ASP A 47 116.587 1.095 -9.617 1.00 0.00 C ATOM 727 CG ASP A 47 116.343 1.934 -10.853 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.302 2.577 -11.344 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.198 1.962 -11.331 1.00 0.00 O ATOM 0 H ASP A 47 118.044 -0.707 -10.672 1.00 0.00 H new ATOM 0 HA ASP A 47 118.566 1.864 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.114 0.121 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.111 1.571 -8.760 1.00 0.00 H new ATOM 734 N ARG A 48 118.174 1.305 -6.945 1.00 0.00 N ATOM 735 CA ARG A 48 118.452 0.963 -5.563 1.00 0.00 C ATOM 736 C ARG A 48 117.310 1.383 -4.655 1.00 0.00 C ATOM 737 O ARG A 48 116.628 2.371 -4.914 1.00 0.00 O ATOM 738 CB ARG A 48 119.753 1.622 -5.107 1.00 0.00 C ATOM 739 CG ARG A 48 120.974 1.134 -5.860 1.00 0.00 C ATOM 740 CD ARG A 48 122.244 1.782 -5.341 1.00 0.00 C ATOM 741 NE ARG A 48 123.432 1.216 -5.968 1.00 0.00 N ATOM 742 CZ ARG A 48 124.256 0.369 -5.357 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.013 -0.006 -4.105 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.320 -0.102 -5.991 1.00 0.00 N ATOM 0 H ARG A 48 117.915 2.279 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 48 118.558 -0.120 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.667 2.702 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.893 1.433 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 48 121.052 0.051 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.860 1.354 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.209 2.855 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.305 1.650 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 48 123.643 1.484 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.195 0.356 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.644 -0.655 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 48 125.510 0.185 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.949 -0.751 -5.519 1.00 0.00 H new ATOM 758 N ALA A 49 117.108 0.629 -3.591 1.00 0.00 N ATOM 759 CA ALA A 49 116.056 0.923 -2.638 1.00 0.00 C ATOM 760 C ALA A 49 116.568 0.784 -1.212 1.00 0.00 C ATOM 761 O ALA A 49 117.502 0.025 -0.950 1.00 0.00 O ATOM 762 CB ALA A 49 114.865 0.005 -2.868 1.00 0.00 C ATOM 0 H ALA A 49 117.663 -0.197 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 49 115.735 1.954 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.082 0.237 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.482 0.152 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.176 -1.032 -2.746 1.00 0.00 H new ATOM 768 N PHE A 50 115.960 1.524 -0.301 1.00 0.00 N ATOM 769 CA PHE A 50 116.291 1.423 1.110 1.00 0.00 C ATOM 770 C PHE A 50 115.418 0.370 1.764 1.00 0.00 C ATOM 771 O PHE A 50 114.191 0.432 1.677 1.00 0.00 O ATOM 772 CB PHE A 50 116.076 2.759 1.832 1.00 0.00 C ATOM 773 CG PHE A 50 117.213 3.733 1.713 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.525 3.312 1.859 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.965 5.074 1.475 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.569 4.211 1.768 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.005 5.980 1.386 1.00 0.00 C ATOM 778 CZ PHE A 50 119.308 5.547 1.531 1.00 0.00 C ATOM 0 H PHE A 50 115.231 2.205 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 50 117.343 1.149 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.174 3.227 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.897 2.560 2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.733 2.269 2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.947 5.416 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.588 3.871 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.799 7.024 1.203 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.123 6.252 1.459 1.00 0.00 H new ATOM 788 N TYR A 51 116.051 -0.601 2.403 1.00 0.00 N ATOM 789 CA TYR A 51 115.319 -1.641 3.097 1.00 0.00 C ATOM 790 C TYR A 51 114.945 -1.153 4.489 1.00 0.00 C ATOM 791 O TYR A 51 115.777 -1.129 5.404 1.00 0.00 O ATOM 792 CB TYR A 51 116.144 -2.926 3.179 1.00 0.00 C ATOM 793 CG TYR A 51 115.294 -4.171 3.298 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.688 -4.515 4.498 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.094 -4.999 2.201 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.907 -5.649 4.602 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.315 -6.135 2.296 1.00 0.00 C ATOM 798 CZ TYR A 51 113.723 -6.454 3.498 1.00 0.00 C ATOM 799 OH TYR A 51 112.948 -7.584 3.596 1.00 0.00 O ATOM 0 H TYR A 51 117.066 -0.688 2.454 1.00 0.00 H new ATOM 0 HA TYR A 51 114.410 -1.867 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.771 -3.005 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.813 -2.867 4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.829 -3.886 5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.556 -4.750 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.443 -5.904 5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.171 -6.769 1.434 1.00 0.00 H new ATOM 0 HH TYR A 51 112.035 -7.333 3.848 1.00 0.00 H new ATOM 809 N TYR A 52 113.699 -0.740 4.629 1.00 0.00 N ATOM 810 CA TYR A 52 113.202 -0.175 5.871 1.00 0.00 C ATOM 811 C TYR A 52 112.371 -1.197 6.637 1.00 0.00 C ATOM 812 O TYR A 52 111.431 -1.784 6.095 1.00 0.00 O ATOM 813 CB TYR A 52 112.375 1.077 5.551 1.00 0.00 C ATOM 814 CG TYR A 52 111.616 1.666 6.723 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.231 2.538 7.612 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.273 1.361 6.926 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.535 3.084 8.673 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.572 1.907 7.983 1.00 0.00 C ATOM 819 CZ TYR A 52 110.204 2.764 8.853 1.00 0.00 C ATOM 820 OH TYR A 52 109.505 3.309 9.906 1.00 0.00 O ATOM 0 H TYR A 52 113.003 -0.787 3.885 1.00 0.00 H new ATOM 0 HA TYR A 52 114.043 0.101 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.042 1.840 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.662 0.831 4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.271 2.794 7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.772 0.687 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.029 3.757 9.358 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.530 1.662 8.126 1.00 0.00 H new ATOM 0 HH TYR A 52 108.581 2.983 9.889 1.00 0.00 H new ATOM 830 N HIS A 53 112.731 -1.414 7.897 1.00 0.00 N ATOM 831 CA HIS A 53 111.967 -2.294 8.771 1.00 0.00 C ATOM 832 C HIS A 53 110.691 -1.608 9.219 1.00 0.00 C ATOM 833 O HIS A 53 110.725 -0.721 10.072 1.00 0.00 O ATOM 834 CB HIS A 53 112.784 -2.714 9.997 1.00 0.00 C ATOM 835 CG HIS A 53 113.589 -3.962 9.807 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.715 -4.252 10.546 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.401 -5.018 8.983 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.184 -5.430 10.181 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.405 -5.921 9.235 1.00 0.00 N ATOM 0 H HIS A 53 113.549 -0.991 8.336 1.00 0.00 H new ATOM 0 HA HIS A 53 111.719 -3.191 8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.457 -1.900 10.266 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.106 -2.858 10.838 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.122 -3.651 11.262 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.607 -5.131 8.260 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.060 -5.913 10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 53 114.528 -6.820 8.769 1.00 0.00 H new ATOM 848 N SER A 54 109.580 -1.990 8.627 1.00 0.00 N ATOM 849 CA SER A 54 108.300 -1.438 9.003 1.00 0.00 C ATOM 850 C SER A 54 107.728 -2.213 10.187 1.00 0.00 C ATOM 851 O SER A 54 108.164 -3.336 10.459 1.00 0.00 O ATOM 852 CB SER A 54 107.358 -1.487 7.805 1.00 0.00 C ATOM 853 OG SER A 54 106.116 -0.873 8.090 1.00 0.00 O ATOM 0 H SER A 54 109.539 -2.684 7.880 1.00 0.00 H new ATOM 0 HA SER A 54 108.419 -0.398 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.824 -0.988 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.193 -2.524 7.514 1.00 0.00 H new ATOM 0 HG SER A 54 105.393 -1.523 7.966 1.00 0.00 H new ATOM 859 N ASN A 55 106.767 -1.603 10.887 1.00 0.00 N ATOM 860 CA ASN A 55 106.145 -2.197 12.076 1.00 0.00 C ATOM 861 C ASN A 55 107.129 -2.226 13.245 1.00 0.00 C ATOM 862 O ASN A 55 107.028 -1.415 14.168 1.00 0.00 O ATOM 863 CB ASN A 55 105.616 -3.610 11.776 1.00 0.00 C ATOM 864 CG ASN A 55 105.058 -4.331 12.996 1.00 0.00 C ATOM 865 OD1 ASN A 55 105.167 -5.552 13.098 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.444 -3.599 13.915 1.00 0.00 N ATOM 0 H ASN A 55 106.398 -0.683 10.646 1.00 0.00 H new ATOM 0 HA ASN A 55 105.297 -1.573 12.358 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.836 -3.542 11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.423 -4.207 11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.043 -4.046 14.739 1.00 0.00 H new ATOM 0 HD22 ASN A 55 104.372 -2.588 13.798 1.00 0.00 H new ATOM 873 N GLU A 56 108.091 -3.133 13.189 1.00 0.00 N ATOM 874 CA GLU A 56 109.068 -3.268 14.252 1.00 0.00 C ATOM 875 C GLU A 56 110.424 -2.756 13.789 1.00 0.00 C ATOM 876 O GLU A 56 110.796 -2.919 12.625 1.00 0.00 O ATOM 877 CB GLU A 56 109.179 -4.728 14.705 1.00 0.00 C ATOM 878 CG GLU A 56 110.123 -4.929 15.880 1.00 0.00 C ATOM 879 CD GLU A 56 109.736 -4.092 17.082 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.930 -4.566 17.906 1.00 0.00 O ATOM 881 OE2 GLU A 56 110.224 -2.949 17.201 1.00 0.00 O ATOM 0 H GLU A 56 108.214 -3.787 12.416 1.00 0.00 H new ATOM 0 HA GLU A 56 108.736 -2.670 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 56 108.188 -5.091 14.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.521 -5.335 13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 110.130 -5.982 16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 111.138 -4.674 15.575 1.00 0.00 H new ATOM 888 N GLY A 57 111.151 -2.133 14.701 1.00 0.00 N ATOM 889 CA GLY A 57 112.455 -1.602 14.383 1.00 0.00 C ATOM 890 C GLY A 57 112.377 -0.183 13.878 1.00 0.00 C ATOM 891 O GLY A 57 112.985 0.717 14.460 1.00 0.00 O ATOM 0 H GLY A 57 110.856 -1.985 15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.087 -1.637 15.270 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.929 -2.230 13.629 1.00 0.00 H new ATOM 895 N LYS A 58 111.601 0.010 12.809 1.00 0.00 N ATOM 896 CA LYS A 58 111.457 1.312 12.165 1.00 0.00 C ATOM 897 C LYS A 58 112.831 1.892 11.871 1.00 0.00 C ATOM 898 O LYS A 58 113.252 2.869 12.488 1.00 0.00 O ATOM 899 CB LYS A 58 110.633 2.269 13.035 1.00 0.00 C ATOM 900 CG LYS A 58 109.289 1.695 13.455 1.00 0.00 C ATOM 901 CD LYS A 58 108.446 2.721 14.190 1.00 0.00 C ATOM 902 CE LYS A 58 107.199 2.090 14.788 1.00 0.00 C ATOM 903 NZ LYS A 58 107.527 1.188 15.923 1.00 0.00 N ATOM 0 H LYS A 58 111.057 -0.732 12.368 1.00 0.00 H new ATOM 0 HA LYS A 58 110.921 1.181 11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.206 2.523 13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.469 3.197 12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.751 1.346 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.448 0.828 14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.038 3.181 14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.159 3.517 13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.523 2.874 15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 58 106.671 1.528 14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 106.861 1.356 16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.453 0.198 15.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.497 1.378 16.248 1.00 0.00 H new ATOM 917 N GLU A 59 113.529 1.264 10.938 1.00 0.00 N ATOM 918 CA GLU A 59 114.925 1.578 10.689 1.00 0.00 C ATOM 919 C GLU A 59 115.299 1.269 9.241 1.00 0.00 C ATOM 920 O GLU A 59 114.746 0.351 8.629 1.00 0.00 O ATOM 921 CB GLU A 59 115.799 0.749 11.636 1.00 0.00 C ATOM 922 CG GLU A 59 115.774 -0.739 11.313 1.00 0.00 C ATOM 923 CD GLU A 59 116.204 -1.624 12.462 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.011 -1.178 13.303 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.724 -2.775 12.526 1.00 0.00 O ATOM 0 H GLU A 59 113.149 0.531 10.339 1.00 0.00 H new ATOM 0 HA GLU A 59 115.087 2.641 10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.826 1.110 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.460 0.899 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.765 -1.018 11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.426 -0.926 10.460 1.00 0.00 H new ATOM 932 N ILE A 60 116.218 2.048 8.701 1.00 0.00 N ATOM 933 CA ILE A 60 116.804 1.760 7.403 1.00 0.00 C ATOM 934 C ILE A 60 118.133 1.046 7.610 1.00 0.00 C ATOM 935 O ILE A 60 119.083 1.626 8.139 1.00 0.00 O ATOM 936 CB ILE A 60 117.021 3.048 6.578 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.685 3.768 6.361 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.678 2.720 5.244 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.812 5.088 5.629 1.00 0.00 C ATOM 0 H ILE A 60 116.578 2.893 9.145 1.00 0.00 H new ATOM 0 HA ILE A 60 116.116 1.125 6.845 1.00 0.00 H new ATOM 0 HB ILE A 60 117.685 3.711 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.018 3.114 5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.217 3.944 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.824 3.638 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.643 2.245 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.038 2.041 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.825 5.537 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.452 5.761 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.250 4.918 4.646 1.00 0.00 H new ATOM 951 N VAL A 61 118.193 -0.218 7.218 1.00 0.00 N ATOM 952 CA VAL A 61 119.356 -1.046 7.529 1.00 0.00 C ATOM 953 C VAL A 61 120.254 -1.306 6.324 1.00 0.00 C ATOM 954 O VAL A 61 121.477 -1.349 6.464 1.00 0.00 O ATOM 955 CB VAL A 61 118.943 -2.400 8.146 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.447 -2.210 9.569 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.879 -3.085 7.298 1.00 0.00 C ATOM 0 H VAL A 61 117.460 -0.692 6.690 1.00 0.00 H new ATOM 0 HA VAL A 61 119.927 -0.468 8.255 1.00 0.00 H new ATOM 0 HB VAL A 61 119.824 -3.042 8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 61 118.161 -3.175 9.986 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.240 -1.773 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.583 -1.545 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.606 -4.036 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.998 -2.447 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.271 -3.263 6.296 1.00 0.00 H new ATOM 967 N GLY A 62 119.673 -1.478 5.145 1.00 0.00 N ATOM 968 CA GLY A 62 120.477 -1.884 4.013 1.00 0.00 C ATOM 969 C GLY A 62 119.970 -1.375 2.686 1.00 0.00 C ATOM 970 O GLY A 62 118.870 -0.830 2.590 1.00 0.00 O ATOM 0 H GLY A 62 118.680 -1.347 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.498 -1.531 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.518 -2.973 3.981 1.00 0.00 H new ATOM 974 N ILE A 63 120.791 -1.568 1.664 1.00 0.00 N ATOM 975 CA ILE A 63 120.480 -1.142 0.310 1.00 0.00 C ATOM 976 C ILE A 63 120.152 -2.343 -0.573 1.00 0.00 C ATOM 977 O ILE A 63 120.913 -3.311 -0.628 1.00 0.00 O ATOM 978 CB ILE A 63 121.677 -0.382 -0.300 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.966 0.883 0.512 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.416 -0.039 -1.760 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.270 1.556 0.146 1.00 0.00 C ATOM 0 H ILE A 63 121.697 -2.028 1.753 1.00 0.00 H new ATOM 0 HA ILE A 63 119.612 -0.484 0.357 1.00 0.00 H new ATOM 0 HB ILE A 63 122.554 -1.029 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 121.149 1.591 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.984 0.628 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.274 0.496 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.258 -0.957 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.528 0.589 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.406 2.445 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 124.096 0.866 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.249 1.844 -0.905 1.00 0.00 H new ATOM 993 N ALA A 64 119.020 -2.280 -1.256 1.00 0.00 N ATOM 994 CA ALA A 64 118.629 -3.326 -2.191 1.00 0.00 C ATOM 995 C ALA A 64 118.815 -2.842 -3.624 1.00 0.00 C ATOM 996 O ALA A 64 118.716 -1.645 -3.893 1.00 0.00 O ATOM 997 CB ALA A 64 117.184 -3.737 -1.949 1.00 0.00 C ATOM 0 H ALA A 64 118.352 -1.512 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 64 119.265 -4.197 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.905 -4.519 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.078 -4.112 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.532 -2.874 -2.088 1.00 0.00 H new ATOM 1003 N GLU A 65 119.092 -3.765 -4.535 1.00 0.00 N ATOM 1004 CA GLU A 65 119.303 -3.417 -5.935 1.00 0.00 C ATOM 1005 C GLU A 65 118.358 -4.210 -6.826 1.00 0.00 C ATOM 1006 O GLU A 65 118.168 -5.415 -6.626 1.00 0.00 O ATOM 1007 CB GLU A 65 120.752 -3.698 -6.341 1.00 0.00 C ATOM 1008 CG GLU A 65 121.143 -3.151 -7.701 1.00 0.00 C ATOM 1009 CD GLU A 65 122.588 -3.458 -8.041 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.913 -4.644 -8.260 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.412 -2.522 -8.067 1.00 0.00 O ATOM 0 H GLU A 65 119.176 -4.761 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 65 119.099 -2.353 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.416 -3.273 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.914 -4.776 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.492 -3.577 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.988 -2.072 -7.716 1.00 0.00 H new ATOM 1018 N ILE A 66 117.764 -3.530 -7.795 1.00 0.00 N ATOM 1019 CA ILE A 66 116.885 -4.177 -8.757 1.00 0.00 C ATOM 1020 C ILE A 66 117.726 -4.916 -9.794 1.00 0.00 C ATOM 1021 O ILE A 66 118.509 -4.295 -10.511 1.00 0.00 O ATOM 1022 CB ILE A 66 115.991 -3.152 -9.495 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.435 -2.091 -8.532 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.854 -3.863 -10.216 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.515 -2.636 -7.462 1.00 0.00 C ATOM 0 H ILE A 66 117.876 -2.526 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 66 116.245 -4.867 -8.208 1.00 0.00 H new ATOM 0 HB ILE A 66 116.611 -2.639 -10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.270 -1.582 -8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.895 -1.341 -9.110 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.234 -3.129 -10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.266 -4.563 -10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.247 -4.407 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.170 -1.819 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.657 -3.119 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 66 115.054 -3.363 -6.855 1.00 0.00 H new ATOM 1037 N ILE A 67 117.582 -6.233 -9.867 1.00 0.00 N ATOM 1038 CA ILE A 67 118.358 -7.022 -10.822 1.00 0.00 C ATOM 1039 C ILE A 67 117.466 -7.601 -11.908 1.00 0.00 C ATOM 1040 O ILE A 67 117.917 -8.372 -12.756 1.00 0.00 O ATOM 1041 CB ILE A 67 119.139 -8.159 -10.138 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.206 -9.035 -9.295 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.258 -7.582 -9.289 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.906 -10.201 -8.629 1.00 0.00 C ATOM 0 H ILE A 67 116.943 -6.775 -9.285 1.00 0.00 H new ATOM 0 HA ILE A 67 119.077 -6.339 -11.273 1.00 0.00 H new ATOM 0 HB ILE A 67 119.578 -8.793 -10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.736 -8.418 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.407 -9.417 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.805 -8.393 -8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.937 -7.011 -9.922 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.836 -6.928 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 67 118.184 -10.776 -8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.352 -10.841 -9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.687 -9.827 -7.967 1.00 0.00 H new ATOM 1056 N ARG A 68 116.207 -7.208 -11.885 1.00 0.00 N ATOM 1057 CA ARG A 68 115.253 -7.629 -12.892 1.00 0.00 C ATOM 1058 C ARG A 68 114.135 -6.606 -12.984 1.00 0.00 C ATOM 1059 O ARG A 68 113.441 -6.348 -11.998 1.00 0.00 O ATOM 1060 CB ARG A 68 114.690 -9.009 -12.559 1.00 0.00 C ATOM 1061 CG ARG A 68 113.976 -9.679 -13.720 1.00 0.00 C ATOM 1062 CD ARG A 68 113.565 -11.098 -13.366 1.00 0.00 C ATOM 1063 NE ARG A 68 113.095 -11.845 -14.533 1.00 0.00 N ATOM 1064 CZ ARG A 68 113.400 -13.124 -14.765 1.00 0.00 C ATOM 1065 NH1 ARG A 68 114.176 -13.789 -13.916 1.00 0.00 N ATOM 1066 NH2 ARG A 68 112.932 -13.735 -15.847 1.00 0.00 N ATOM 0 H ARG A 68 115.818 -6.591 -11.172 1.00 0.00 H new ATOM 0 HA ARG A 68 115.758 -7.698 -13.855 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.505 -9.652 -12.226 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.996 -8.916 -11.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 113.094 -9.099 -13.992 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.629 -9.694 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 114.412 -11.619 -12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.777 -11.069 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 68 112.501 -11.362 -15.207 1.00 0.00 H new ATOM 0 HH11 ARG A 68 114.540 -13.322 -13.085 1.00 0.00 H new ATOM 0 HH12 ARG A 68 114.408 -14.766 -14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 68 112.338 -13.227 -16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 68 113.166 -14.712 -16.022 1.00 0.00 H new ATOM 1080 N GLU A 69 114.004 -6.008 -14.160 1.00 0.00 N ATOM 1081 CA GLU A 69 113.000 -4.980 -14.423 1.00 0.00 C ATOM 1082 C GLU A 69 111.596 -5.479 -14.088 1.00 0.00 C ATOM 1083 O GLU A 69 111.354 -6.687 -14.010 1.00 0.00 O ATOM 1084 CB GLU A 69 113.047 -4.538 -15.895 1.00 0.00 C ATOM 1085 CG GLU A 69 114.434 -4.149 -16.403 1.00 0.00 C ATOM 1086 CD GLU A 69 115.298 -5.349 -16.730 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.261 -5.823 -17.879 1.00 0.00 O ATOM 1088 OE2 GLU A 69 116.012 -5.824 -15.832 1.00 0.00 O ATOM 0 H GLU A 69 114.593 -6.222 -14.965 1.00 0.00 H new ATOM 0 HA GLU A 69 113.231 -4.128 -13.783 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.662 -5.347 -16.515 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.376 -3.689 -16.026 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.329 -3.529 -17.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.935 -3.541 -15.649 1.00 0.00 H new ATOM 1095 N ALA A 70 110.679 -4.537 -13.898 1.00 0.00 N ATOM 1096 CA ALA A 70 109.305 -4.854 -13.531 1.00 0.00 C ATOM 1097 C ALA A 70 108.636 -5.758 -14.560 1.00 0.00 C ATOM 1098 O ALA A 70 108.542 -5.421 -15.741 1.00 0.00 O ATOM 1099 CB ALA A 70 108.502 -3.574 -13.357 1.00 0.00 C ATOM 0 H ALA A 70 110.866 -3.539 -13.993 1.00 0.00 H new ATOM 0 HA ALA A 70 109.333 -5.396 -12.586 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.477 -3.822 -13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.951 -2.967 -12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.502 -3.014 -14.292 1.00 0.00 H new ATOM 1105 N TYR A 71 108.182 -6.914 -14.101 1.00 0.00 N ATOM 1106 CA TYR A 71 107.451 -7.842 -14.947 1.00 0.00 C ATOM 1107 C TYR A 71 106.140 -8.227 -14.265 1.00 0.00 C ATOM 1108 O TYR A 71 106.023 -8.096 -13.046 1.00 0.00 O ATOM 1109 CB TYR A 71 108.302 -9.084 -15.256 1.00 0.00 C ATOM 1110 CG TYR A 71 108.659 -9.931 -14.052 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.726 -9.595 -13.228 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.934 -11.079 -13.753 1.00 0.00 C ATOM 1113 CE1 TYR A 71 110.059 -10.376 -12.140 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.259 -11.864 -12.665 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.322 -11.509 -11.862 1.00 0.00 C ATOM 1116 OH TYR A 71 109.652 -12.292 -10.778 1.00 0.00 O ATOM 0 H TYR A 71 108.309 -7.233 -13.140 1.00 0.00 H new ATOM 0 HA TYR A 71 107.223 -7.358 -15.897 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.764 -9.705 -15.972 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.223 -8.763 -15.742 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.304 -8.708 -13.442 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.103 -11.361 -14.382 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.892 -10.102 -11.510 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.684 -12.751 -12.444 1.00 0.00 H new ATOM 0 HH TYR A 71 109.034 -13.051 -10.722 1.00 0.00 H new ATOM 1126 N PRO A 72 105.135 -8.680 -15.042 1.00 0.00 N ATOM 1127 CA PRO A 72 103.807 -9.038 -14.524 1.00 0.00 C ATOM 1128 C PRO A 72 103.869 -9.909 -13.272 1.00 0.00 C ATOM 1129 O PRO A 72 104.504 -10.968 -13.266 1.00 0.00 O ATOM 1130 CB PRO A 72 103.153 -9.812 -15.685 1.00 0.00 C ATOM 1131 CG PRO A 72 104.230 -10.002 -16.706 1.00 0.00 C ATOM 1132 CD PRO A 72 105.205 -8.883 -16.493 1.00 0.00 C ATOM 0 HA PRO A 72 103.251 -8.151 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.763 -10.771 -15.345 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.313 -9.256 -16.101 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.715 -10.970 -16.585 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.820 -9.975 -17.715 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.210 -9.152 -16.818 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.921 -7.986 -17.043 1.00 0.00 H new ATOM 1140 N ASP A 73 103.212 -9.442 -12.216 1.00 0.00 N ATOM 1141 CA ASP A 73 103.186 -10.145 -10.938 1.00 0.00 C ATOM 1142 C ASP A 73 102.477 -11.486 -11.095 1.00 0.00 C ATOM 1143 O ASP A 73 101.346 -11.542 -11.582 1.00 0.00 O ATOM 1144 CB ASP A 73 102.474 -9.294 -9.880 1.00 0.00 C ATOM 1145 CG ASP A 73 102.628 -9.847 -8.475 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.281 -11.022 -8.246 1.00 0.00 O ATOM 1147 OD2 ASP A 73 103.098 -9.107 -7.586 1.00 0.00 O ATOM 0 H ASP A 73 102.684 -8.569 -12.221 1.00 0.00 H new ATOM 0 HA ASP A 73 104.211 -10.322 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.870 -8.279 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.414 -9.230 -10.126 1.00 0.00 H new ATOM 1152 N PRO A 74 103.135 -12.580 -10.683 1.00 0.00 N ATOM 1153 CA PRO A 74 102.602 -13.937 -10.838 1.00 0.00 C ATOM 1154 C PRO A 74 101.327 -14.192 -10.034 1.00 0.00 C ATOM 1155 O PRO A 74 100.634 -15.187 -10.265 1.00 0.00 O ATOM 1156 CB PRO A 74 103.737 -14.835 -10.330 1.00 0.00 C ATOM 1157 CG PRO A 74 104.572 -13.959 -9.462 1.00 0.00 C ATOM 1158 CD PRO A 74 104.462 -12.578 -10.042 1.00 0.00 C ATOM 0 HA PRO A 74 102.313 -14.123 -11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.346 -15.685 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.320 -15.239 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.218 -13.979 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.609 -14.296 -9.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.534 -11.811 -9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.256 -12.381 -10.763 1.00 0.00 H new ATOM 1166 N THR A 75 101.008 -13.309 -9.093 1.00 0.00 N ATOM 1167 CA THR A 75 99.830 -13.499 -8.265 1.00 0.00 C ATOM 1168 C THR A 75 98.599 -12.862 -8.916 1.00 0.00 C ATOM 1169 O THR A 75 97.461 -13.153 -8.536 1.00 0.00 O ATOM 1170 CB THR A 75 100.029 -12.939 -6.833 1.00 0.00 C ATOM 1171 OG1 THR A 75 99.189 -13.652 -5.915 1.00 0.00 O ATOM 1172 CG2 THR A 75 99.701 -11.453 -6.753 1.00 0.00 C ATOM 0 H THR A 75 101.544 -12.465 -8.889 1.00 0.00 H new ATOM 0 HA THR A 75 99.670 -14.574 -8.180 1.00 0.00 H new ATOM 0 HB THR A 75 101.079 -13.071 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 75 99.318 -13.297 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 75 99.854 -11.101 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.353 -10.900 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 75 98.662 -11.294 -7.040 1.00 0.00 H new ATOM 1180 N ASP A 76 98.828 -12.013 -9.910 1.00 0.00 N ATOM 1181 CA ASP A 76 97.733 -11.345 -10.601 1.00 0.00 C ATOM 1182 C ASP A 76 97.324 -12.133 -11.838 1.00 0.00 C ATOM 1183 O ASP A 76 98.169 -12.580 -12.610 1.00 0.00 O ATOM 1184 CB ASP A 76 98.123 -9.913 -10.986 1.00 0.00 C ATOM 1185 CG ASP A 76 97.042 -9.205 -11.787 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.847 -9.516 -11.600 1.00 0.00 O ATOM 1187 OD2 ASP A 76 97.385 -8.335 -12.614 1.00 0.00 O ATOM 0 H ASP A 76 99.757 -11.772 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 76 96.882 -11.296 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 76 98.332 -9.342 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 76 99.044 -9.936 -11.568 1.00 0.00 H new ATOM 1192 N ALA A 77 96.023 -12.302 -12.013 1.00 0.00 N ATOM 1193 CA ALA A 77 95.495 -13.062 -13.135 1.00 0.00 C ATOM 1194 C ALA A 77 95.310 -12.172 -14.359 1.00 0.00 C ATOM 1195 O ALA A 77 95.156 -12.662 -15.478 1.00 0.00 O ATOM 1196 CB ALA A 77 94.176 -13.718 -12.750 1.00 0.00 C ATOM 0 H ALA A 77 95.311 -11.922 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 77 96.214 -13.840 -13.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 93.790 -14.284 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 77 94.336 -14.390 -11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 77 93.456 -12.950 -12.469 1.00 0.00 H new ATOM 1202 N SER A 78 95.331 -10.863 -14.146 1.00 0.00 N ATOM 1203 CA SER A 78 95.099 -9.920 -15.228 1.00 0.00 C ATOM 1204 C SER A 78 96.410 -9.551 -15.922 1.00 0.00 C ATOM 1205 O SER A 78 96.481 -9.501 -17.151 1.00 0.00 O ATOM 1206 CB SER A 78 94.412 -8.661 -14.690 1.00 0.00 C ATOM 1207 OG SER A 78 93.915 -7.854 -15.746 1.00 0.00 O ATOM 0 H SER A 78 95.506 -10.433 -13.238 1.00 0.00 H new ATOM 0 HA SER A 78 94.448 -10.395 -15.962 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.592 -8.945 -14.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.119 -8.086 -14.092 1.00 0.00 H new ATOM 0 HG SER A 78 93.481 -7.059 -15.373 1.00 0.00 H new ATOM 1213 N GLY A 79 97.443 -9.294 -15.132 1.00 0.00 N ATOM 1214 CA GLY A 79 98.719 -8.882 -15.681 1.00 0.00 C ATOM 1215 C GLY A 79 98.907 -7.384 -15.569 1.00 0.00 C ATOM 1216 O GLY A 79 99.691 -6.782 -16.303 1.00 0.00 O ATOM 0 H GLY A 79 97.419 -9.364 -14.115 1.00 0.00 H new ATOM 0 HA2 GLY A 79 99.526 -9.392 -15.155 1.00 0.00 H new ATOM 0 HA3 GLY A 79 98.781 -9.181 -16.727 1.00 0.00 H new ATOM 1220 N LYS A 80 98.181 -6.782 -14.638 1.00 0.00 N ATOM 1221 CA LYS A 80 98.216 -5.344 -14.454 1.00 0.00 C ATOM 1222 C LYS A 80 99.164 -4.988 -13.320 1.00 0.00 C ATOM 1223 O LYS A 80 99.733 -3.894 -13.290 1.00 0.00 O ATOM 1224 CB LYS A 80 96.808 -4.812 -14.166 1.00 0.00 C ATOM 1225 CG LYS A 80 96.715 -3.294 -14.118 1.00 0.00 C ATOM 1226 CD LYS A 80 95.269 -2.829 -14.145 1.00 0.00 C ATOM 1227 CE LYS A 80 94.564 -3.302 -15.407 1.00 0.00 C ATOM 1228 NZ LYS A 80 93.173 -2.786 -15.501 1.00 0.00 N ATOM 0 H LYS A 80 97.558 -7.273 -13.997 1.00 0.00 H new ATOM 0 HA LYS A 80 98.579 -4.878 -15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 80 96.127 -5.183 -14.932 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.466 -5.217 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 80 97.201 -2.926 -13.214 1.00 0.00 H new ATOM 0 HG3 LYS A 80 97.252 -2.868 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 80 94.745 -3.209 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 80 95.233 -1.741 -14.091 1.00 0.00 H new ATOM 0 HE2 LYS A 80 95.130 -2.977 -16.280 1.00 0.00 H new ATOM 0 HE3 LYS A 80 94.547 -4.392 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 92.732 -3.134 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 92.624 -3.116 -14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 93.188 -1.746 -15.511 1.00 0.00 H new ATOM 1242 N PHE A 81 99.329 -5.915 -12.388 1.00 0.00 N ATOM 1243 CA PHE A 81 100.280 -5.738 -11.304 1.00 0.00 C ATOM 1244 C PHE A 81 101.665 -6.176 -11.752 1.00 0.00 C ATOM 1245 O PHE A 81 101.805 -7.094 -12.562 1.00 0.00 O ATOM 1246 CB PHE A 81 99.841 -6.509 -10.058 1.00 0.00 C ATOM 1247 CG PHE A 81 98.592 -5.956 -9.430 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.615 -4.732 -8.780 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.398 -6.654 -9.492 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.472 -4.215 -8.202 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.250 -6.142 -8.916 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.287 -4.921 -8.272 1.00 0.00 C ATOM 0 H PHE A 81 98.816 -6.796 -12.362 1.00 0.00 H new ATOM 0 HA PHE A 81 100.315 -4.680 -11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.675 -7.553 -10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.647 -6.491 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.539 -4.175 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.363 -7.609 -9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.505 -3.261 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.325 -6.697 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.391 -4.519 -7.824 1.00 0.00 H new ATOM 1262 N VAL A 82 102.685 -5.507 -11.242 1.00 0.00 N ATOM 1263 CA VAL A 82 104.055 -5.791 -11.636 1.00 0.00 C ATOM 1264 C VAL A 82 104.917 -6.062 -10.416 1.00 0.00 C ATOM 1265 O VAL A 82 104.611 -5.607 -9.315 1.00 0.00 O ATOM 1266 CB VAL A 82 104.676 -4.629 -12.449 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.941 -4.439 -13.767 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.671 -3.337 -11.643 1.00 0.00 C ATOM 0 H VAL A 82 102.590 -4.761 -10.552 1.00 0.00 H new ATOM 0 HA VAL A 82 104.025 -6.677 -12.270 1.00 0.00 H new ATOM 0 HB VAL A 82 105.712 -4.889 -12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.395 -3.617 -14.321 1.00 0.00 H new ATOM 0 HG12 VAL A 82 104.007 -5.354 -14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.894 -4.209 -13.570 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.112 -2.536 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.645 -3.074 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.252 -3.475 -10.731 1.00 0.00 H new ATOM 1278 N CYS A 83 105.989 -6.803 -10.620 1.00 0.00 N ATOM 1279 CA CYS A 83 106.910 -7.130 -9.551 1.00 0.00 C ATOM 1280 C CYS A 83 108.343 -7.058 -10.063 1.00 0.00 C ATOM 1281 O CYS A 83 108.591 -7.228 -11.258 1.00 0.00 O ATOM 1282 CB CYS A 83 106.608 -8.529 -9.008 1.00 0.00 C ATOM 1283 SG CYS A 83 106.632 -9.828 -10.266 1.00 0.00 S ATOM 0 H CYS A 83 106.244 -7.193 -11.527 1.00 0.00 H new ATOM 0 HA CYS A 83 106.789 -6.409 -8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.337 -8.773 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.628 -8.518 -8.530 1.00 0.00 H new ATOM 0 HG CYS A 83 107.863 -10.134 -10.550 1.00 0.00 H new ATOM 1289 N VAL A 84 109.275 -6.790 -9.163 1.00 0.00 N ATOM 1290 CA VAL A 84 110.685 -6.713 -9.518 1.00 0.00 C ATOM 1291 C VAL A 84 111.494 -7.707 -8.693 1.00 0.00 C ATOM 1292 O VAL A 84 111.161 -7.977 -7.539 1.00 0.00 O ATOM 1293 CB VAL A 84 111.253 -5.289 -9.305 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.615 -4.304 -10.270 1.00 0.00 C ATOM 1295 CG2 VAL A 84 111.049 -4.830 -7.866 1.00 0.00 C ATOM 0 H VAL A 84 109.080 -6.621 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 84 110.766 -6.960 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 84 112.324 -5.323 -9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 84 111.029 -3.310 -10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.820 -4.614 -11.295 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.538 -4.280 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.457 -3.827 -7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.984 -4.820 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.560 -5.515 -7.190 1.00 0.00 H new ATOM 1305 N ASP A 85 112.538 -8.265 -9.286 1.00 0.00 N ATOM 1306 CA ASP A 85 113.412 -9.187 -8.570 1.00 0.00 C ATOM 1307 C ASP A 85 114.603 -8.416 -8.028 1.00 0.00 C ATOM 1308 O ASP A 85 115.311 -7.736 -8.778 1.00 0.00 O ATOM 1309 CB ASP A 85 113.874 -10.328 -9.481 1.00 0.00 C ATOM 1310 CG ASP A 85 114.568 -11.442 -8.722 1.00 0.00 C ATOM 1311 OD1 ASP A 85 113.866 -12.331 -8.197 1.00 0.00 O ATOM 1312 OD2 ASP A 85 115.812 -11.442 -8.664 1.00 0.00 O ATOM 0 H ASP A 85 112.802 -8.098 -10.257 1.00 0.00 H new ATOM 0 HA ASP A 85 112.860 -9.635 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 85 113.013 -10.736 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.553 -9.932 -10.236 1.00 0.00 H new ATOM 1317 N ILE A 86 114.804 -8.488 -6.721 1.00 0.00 N ATOM 1318 CA ILE A 86 115.810 -7.669 -6.066 1.00 0.00 C ATOM 1319 C ILE A 86 116.756 -8.514 -5.231 1.00 0.00 C ATOM 1320 O ILE A 86 116.418 -9.622 -4.820 1.00 0.00 O ATOM 1321 CB ILE A 86 115.161 -6.601 -5.156 1.00 0.00 C ATOM 1322 CG1 ILE A 86 114.366 -7.260 -4.021 1.00 0.00 C ATOM 1323 CG2 ILE A 86 114.258 -5.692 -5.974 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.766 -6.274 -3.042 1.00 0.00 C ATOM 0 H ILE A 86 114.285 -9.104 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 86 116.373 -7.175 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 86 115.956 -6.002 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.566 -7.862 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 86 115.021 -7.942 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.807 -4.944 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.846 -5.194 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 86 113.473 -6.285 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 86 113.220 -6.815 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 86 114.562 -5.689 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 86 113.084 -5.607 -3.569 1.00 0.00 H new ATOM 1336 N LYS A 87 117.941 -7.981 -4.982 1.00 0.00 N ATOM 1337 CA LYS A 87 118.905 -8.622 -4.103 1.00 0.00 C ATOM 1338 C LYS A 87 119.458 -7.603 -3.120 1.00 0.00 C ATOM 1339 O LYS A 87 119.327 -6.394 -3.334 1.00 0.00 O ATOM 1340 CB LYS A 87 120.058 -9.238 -4.903 1.00 0.00 C ATOM 1341 CG LYS A 87 120.861 -8.221 -5.702 1.00 0.00 C ATOM 1342 CD LYS A 87 122.162 -8.814 -6.217 1.00 0.00 C ATOM 1343 CE LYS A 87 122.914 -7.830 -7.102 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.185 -6.541 -6.413 1.00 0.00 N ATOM 0 H LYS A 87 118.260 -7.098 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 87 118.395 -9.420 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.727 -9.758 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.656 -9.987 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.265 -7.865 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 87 121.078 -7.355 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.791 -9.100 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.951 -9.723 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.857 -8.276 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.334 -7.641 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 122.679 -5.774 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.859 -6.599 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.207 -6.347 -6.429 1.00 0.00 H new ATOM 1358 N ALA A 88 120.066 -8.086 -2.049 1.00 0.00 N ATOM 1359 CA ALA A 88 120.719 -7.210 -1.090 1.00 0.00 C ATOM 1360 C ALA A 88 122.087 -6.796 -1.611 1.00 0.00 C ATOM 1361 O ALA A 88 122.867 -7.636 -2.062 1.00 0.00 O ATOM 1362 CB ALA A 88 120.849 -7.900 0.258 1.00 0.00 C ATOM 0 H ALA A 88 120.121 -9.079 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 88 120.109 -6.316 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.340 -7.230 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.858 -8.158 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.442 -8.808 0.146 1.00 0.00 H new ATOM 1368 N ASP A 89 122.372 -5.503 -1.567 1.00 0.00 N ATOM 1369 CA ASP A 89 123.651 -4.993 -2.042 1.00 0.00 C ATOM 1370 C ASP A 89 124.636 -4.877 -0.887 1.00 0.00 C ATOM 1371 O ASP A 89 125.574 -5.667 -0.778 1.00 0.00 O ATOM 1372 CB ASP A 89 123.472 -3.636 -2.732 1.00 0.00 C ATOM 1373 CG ASP A 89 124.781 -3.073 -3.252 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.391 -3.700 -4.144 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.193 -1.989 -2.788 1.00 0.00 O ATOM 0 H ASP A 89 121.738 -4.789 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 89 124.051 -5.696 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.771 -3.742 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.030 -2.930 -2.029 1.00 0.00 H new ATOM 1380 N LYS A 90 124.408 -3.901 -0.019 1.00 0.00 N ATOM 1381 CA LYS A 90 125.251 -3.704 1.150 1.00 0.00 C ATOM 1382 C LYS A 90 124.453 -3.036 2.265 1.00 0.00 C ATOM 1383 O LYS A 90 123.542 -2.250 1.997 1.00 0.00 O ATOM 1384 CB LYS A 90 126.484 -2.861 0.791 1.00 0.00 C ATOM 1385 CG LYS A 90 126.167 -1.418 0.427 1.00 0.00 C ATOM 1386 CD LYS A 90 127.407 -0.642 -0.004 1.00 0.00 C ATOM 1387 CE LYS A 90 128.486 -0.616 1.074 1.00 0.00 C ATOM 1388 NZ LYS A 90 129.420 -1.773 0.970 1.00 0.00 N ATOM 0 H LYS A 90 123.643 -3.232 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 90 125.594 -4.677 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 90 127.174 -2.868 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 90 127.000 -3.330 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.433 -1.402 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.711 -0.922 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.815 -1.090 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 90 127.123 0.380 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 90 129.052 0.312 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.014 -0.620 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 129.460 -2.270 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.083 -2.426 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 130.370 -1.431 0.720 1.00 0.00 H new ATOM 1402 N PRO A 91 124.756 -3.365 3.528 1.00 0.00 N ATOM 1403 CA PRO A 91 124.108 -2.748 4.678 1.00 0.00 C ATOM 1404 C PRO A 91 124.817 -1.472 5.130 1.00 0.00 C ATOM 1405 O PRO A 91 125.985 -1.242 4.798 1.00 0.00 O ATOM 1406 CB PRO A 91 124.217 -3.838 5.739 1.00 0.00 C ATOM 1407 CG PRO A 91 125.494 -4.549 5.426 1.00 0.00 C ATOM 1408 CD PRO A 91 125.737 -4.387 3.942 1.00 0.00 C ATOM 0 HA PRO A 91 123.086 -2.432 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.237 -3.413 6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.366 -4.517 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.320 -4.129 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.424 -5.604 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.758 -4.066 3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.585 -5.325 3.408 1.00 0.00 H new ATOM 1416 N LEU A 92 124.102 -0.651 5.884 1.00 0.00 N ATOM 1417 CA LEU A 92 124.647 0.599 6.390 1.00 0.00 C ATOM 1418 C LEU A 92 125.544 0.353 7.599 1.00 0.00 C ATOM 1419 O LEU A 92 125.469 -0.701 8.234 1.00 0.00 O ATOM 1420 CB LEU A 92 123.514 1.559 6.768 1.00 0.00 C ATOM 1421 CG LEU A 92 122.753 2.167 5.588 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.605 3.030 6.083 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.694 2.986 4.716 1.00 0.00 C ATOM 0 H LEU A 92 123.137 -0.830 6.160 1.00 0.00 H new ATOM 0 HA LEU A 92 125.248 1.049 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.805 1.026 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.930 2.369 7.367 1.00 0.00 H new ATOM 0 HG LEU A 92 122.341 1.356 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 92 121.075 3.454 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.918 2.420 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.997 3.836 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 92 123.138 3.412 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.132 3.790 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.487 2.344 4.334 1.00 0.00 H new ATOM 1435 N LYS A 93 126.392 1.330 7.902 1.00 0.00 N ATOM 1436 CA LYS A 93 127.285 1.258 9.052 1.00 0.00 C ATOM 1437 C LYS A 93 126.462 1.209 10.336 1.00 0.00 C ATOM 1438 O LYS A 93 126.623 0.313 11.167 1.00 0.00 O ATOM 1439 CB LYS A 93 128.214 2.477 9.058 1.00 0.00 C ATOM 1440 CG LYS A 93 129.288 2.442 10.132 1.00 0.00 C ATOM 1441 CD LYS A 93 130.320 1.362 9.852 1.00 0.00 C ATOM 1442 CE LYS A 93 131.419 1.353 10.903 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.153 2.646 10.968 1.00 0.00 N ATOM 0 H LYS A 93 126.479 2.190 7.360 1.00 0.00 H new ATOM 0 HA LYS A 93 127.892 0.355 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.695 2.557 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 93 127.613 3.376 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.781 3.413 10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 93 128.827 2.263 11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 93 129.831 0.388 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.759 1.523 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 93 130.983 1.136 11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.122 0.550 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.020 2.525 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.403 2.952 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 131.549 3.366 11.414 1.00 0.00 H new ATOM 1457 N THR A 94 125.576 2.176 10.476 1.00 0.00 N ATOM 1458 CA THR A 94 124.647 2.222 11.584 1.00 0.00 C ATOM 1459 C THR A 94 123.226 2.379 11.050 1.00 0.00 C ATOM 1460 O THR A 94 122.960 3.289 10.265 1.00 0.00 O ATOM 1461 CB THR A 94 124.977 3.393 12.533 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.333 3.287 12.991 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.036 3.420 13.732 1.00 0.00 C ATOM 0 H THR A 94 125.481 2.953 9.822 1.00 0.00 H new ATOM 0 HA THR A 94 124.731 1.291 12.145 1.00 0.00 H new ATOM 0 HB THR A 94 124.848 4.320 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.535 4.035 13.591 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.296 4.257 14.380 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.009 3.535 13.386 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.129 2.488 14.289 1.00 0.00 H new ATOM 1471 N PRO A 95 122.311 1.474 11.438 1.00 0.00 N ATOM 1472 CA PRO A 95 120.908 1.527 11.006 1.00 0.00 C ATOM 1473 C PRO A 95 120.244 2.849 11.376 1.00 0.00 C ATOM 1474 O PRO A 95 120.278 3.272 12.533 1.00 0.00 O ATOM 1475 CB PRO A 95 120.250 0.366 11.763 1.00 0.00 C ATOM 1476 CG PRO A 95 121.371 -0.552 12.107 1.00 0.00 C ATOM 1477 CD PRO A 95 122.570 0.327 12.325 1.00 0.00 C ATOM 0 HA PRO A 95 120.813 1.449 9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.739 0.718 12.659 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.504 -0.135 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.142 -1.130 13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.551 -1.267 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.659 0.635 13.367 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.497 -0.184 12.063 1.00 0.00 H new ATOM 1485 N VAL A 96 119.641 3.494 10.389 1.00 0.00 N ATOM 1486 CA VAL A 96 119.007 4.784 10.603 1.00 0.00 C ATOM 1487 C VAL A 96 117.547 4.594 10.986 1.00 0.00 C ATOM 1488 O VAL A 96 116.708 4.282 10.141 1.00 0.00 O ATOM 1489 CB VAL A 96 119.097 5.683 9.350 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.517 7.063 9.631 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.537 5.797 8.873 1.00 0.00 C ATOM 0 H VAL A 96 119.578 3.145 9.433 1.00 0.00 H new ATOM 0 HA VAL A 96 119.541 5.278 11.414 1.00 0.00 H new ATOM 0 HB VAL A 96 118.508 5.220 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.591 7.678 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.470 6.966 9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.074 7.534 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.578 6.434 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.149 6.232 9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.917 4.806 8.624 1.00 0.00 H new ATOM 1501 N THR A 97 117.255 4.760 12.264 1.00 0.00 N ATOM 1502 CA THR A 97 115.908 4.570 12.766 1.00 0.00 C ATOM 1503 C THR A 97 115.019 5.760 12.417 1.00 0.00 C ATOM 1504 O THR A 97 115.511 6.842 12.091 1.00 0.00 O ATOM 1505 CB THR A 97 115.917 4.359 14.291 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.628 5.426 14.932 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.559 3.026 14.650 1.00 0.00 C ATOM 0 H THR A 97 117.936 5.027 12.974 1.00 0.00 H new ATOM 0 HA THR A 97 115.502 3.679 12.287 1.00 0.00 H new ATOM 0 HB THR A 97 114.884 4.352 14.639 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.627 5.284 15.902 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.554 2.900 15.733 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.997 2.215 14.187 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.587 3.008 14.288 1.00 0.00 H new ATOM 1515 N LEU A 98 113.709 5.550 12.489 1.00 0.00 N ATOM 1516 CA LEU A 98 112.734 6.593 12.187 1.00 0.00 C ATOM 1517 C LEU A 98 112.962 7.817 13.068 1.00 0.00 C ATOM 1518 O LEU A 98 112.800 8.954 12.622 1.00 0.00 O ATOM 1519 CB LEU A 98 111.314 6.057 12.389 1.00 0.00 C ATOM 1520 CG LEU A 98 110.188 7.013 11.985 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.246 7.310 10.494 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.836 6.429 12.360 1.00 0.00 C ATOM 0 H LEU A 98 113.294 4.657 12.757 1.00 0.00 H new ATOM 0 HA LEU A 98 112.859 6.891 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.207 5.135 11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.188 5.797 13.440 1.00 0.00 H new ATOM 0 HG LEU A 98 110.322 7.950 12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.438 7.991 10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.204 7.771 10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.138 6.381 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.047 7.121 12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.695 5.478 11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.795 6.269 13.437 1.00 0.00 H new ATOM 1534 N ALA A 99 113.357 7.574 14.313 1.00 0.00 N ATOM 1535 CA ALA A 99 113.651 8.649 15.250 1.00 0.00 C ATOM 1536 C ALA A 99 114.831 9.483 14.766 1.00 0.00 C ATOM 1537 O ALA A 99 114.843 10.705 14.908 1.00 0.00 O ATOM 1538 CB ALA A 99 113.935 8.080 16.631 1.00 0.00 C ATOM 0 H ALA A 99 113.481 6.637 14.697 1.00 0.00 H new ATOM 0 HA ALA A 99 112.778 9.299 15.311 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.153 8.894 17.322 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.063 7.529 16.984 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.792 7.409 16.579 1.00 0.00 H new ATOM 1544 N ALA A 100 115.815 8.816 14.175 1.00 0.00 N ATOM 1545 CA ALA A 100 116.995 9.490 13.659 1.00 0.00 C ATOM 1546 C ALA A 100 116.656 10.284 12.404 1.00 0.00 C ATOM 1547 O ALA A 100 117.215 11.352 12.164 1.00 0.00 O ATOM 1548 CB ALA A 100 118.099 8.482 13.372 1.00 0.00 C ATOM 0 H ALA A 100 115.817 7.805 14.042 1.00 0.00 H new ATOM 0 HA ALA A 100 117.351 10.187 14.417 1.00 0.00 H new ATOM 0 HB1 ALA A 100 118.976 9.002 12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.363 7.959 14.292 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.750 7.761 12.632 1.00 0.00 H new ATOM 1554 N VAL A 101 115.727 9.763 11.612 1.00 0.00 N ATOM 1555 CA VAL A 101 115.278 10.443 10.402 1.00 0.00 C ATOM 1556 C VAL A 101 114.582 11.760 10.754 1.00 0.00 C ATOM 1557 O VAL A 101 114.670 12.743 10.019 1.00 0.00 O ATOM 1558 CB VAL A 101 114.317 9.552 9.578 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.916 10.236 8.280 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.952 8.201 9.288 1.00 0.00 C ATOM 0 H VAL A 101 115.268 8.869 11.786 1.00 0.00 H new ATOM 0 HA VAL A 101 116.160 10.651 9.796 1.00 0.00 H new ATOM 0 HB VAL A 101 113.417 9.393 10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.241 9.588 7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.413 11.177 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.806 10.434 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.260 7.591 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.871 8.345 8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.181 7.697 10.227 1.00 0.00 H new ATOM 1570 N LYS A 102 113.912 11.778 11.903 1.00 0.00 N ATOM 1571 CA LYS A 102 113.215 12.974 12.371 1.00 0.00 C ATOM 1572 C LYS A 102 114.202 14.023 12.885 1.00 0.00 C ATOM 1573 O LYS A 102 113.835 15.181 13.095 1.00 0.00 O ATOM 1574 CB LYS A 102 112.227 12.617 13.487 1.00 0.00 C ATOM 1575 CG LYS A 102 111.119 11.667 13.060 1.00 0.00 C ATOM 1576 CD LYS A 102 110.216 11.318 14.231 1.00 0.00 C ATOM 1577 CE LYS A 102 109.134 10.320 13.842 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.168 10.886 12.860 1.00 0.00 N ATOM 0 H LYS A 102 113.837 10.976 12.529 1.00 0.00 H new ATOM 0 HA LYS A 102 112.671 13.390 11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.777 12.167 14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.777 13.535 13.866 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.529 12.125 12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.555 10.756 12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.817 10.904 15.041 1.00 0.00 H new ATOM 0 HD3 LYS A 102 109.750 12.227 14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.599 9.430 13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.596 10.004 14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.245 10.420 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.063 11.907 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.521 10.727 11.895 1.00 0.00 H new ATOM 1592 N ALA A 103 115.452 13.615 13.087 1.00 0.00 N ATOM 1593 CA ALA A 103 116.469 14.500 13.649 1.00 0.00 C ATOM 1594 C ALA A 103 117.068 15.419 12.589 1.00 0.00 C ATOM 1595 O ALA A 103 117.617 16.473 12.911 1.00 0.00 O ATOM 1596 CB ALA A 103 117.567 13.685 14.316 1.00 0.00 C ATOM 0 H ALA A 103 115.786 12.676 12.870 1.00 0.00 H new ATOM 0 HA ALA A 103 115.982 15.128 14.396 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.318 14.357 14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.138 13.083 15.117 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.033 13.030 13.579 1.00 0.00 H new ATOM 1602 N GLU A 104 116.967 15.018 11.331 1.00 0.00 N ATOM 1603 CA GLU A 104 117.544 15.792 10.242 1.00 0.00 C ATOM 1604 C GLU A 104 116.432 16.519 9.485 1.00 0.00 C ATOM 1605 O GLU A 104 115.531 15.883 8.941 1.00 0.00 O ATOM 1606 CB GLU A 104 118.337 14.865 9.310 1.00 0.00 C ATOM 1607 CG GLU A 104 119.449 15.556 8.524 1.00 0.00 C ATOM 1608 CD GLU A 104 118.933 16.556 7.512 1.00 0.00 C ATOM 1609 OE1 GLU A 104 118.133 16.160 6.646 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.314 17.742 7.587 1.00 0.00 O ATOM 0 H GLU A 104 116.492 14.164 11.039 1.00 0.00 H new ATOM 0 HA GLU A 104 118.230 16.538 10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 104 118.774 14.062 9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.646 14.401 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 104 120.115 16.065 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 104 120.043 14.801 8.009 1.00 0.00 H new ATOM 1617 N PRO A 105 116.485 17.865 9.458 1.00 0.00 N ATOM 1618 CA PRO A 105 115.449 18.714 8.848 1.00 0.00 C ATOM 1619 C PRO A 105 115.012 18.272 7.448 1.00 0.00 C ATOM 1620 O PRO A 105 113.818 18.252 7.148 1.00 0.00 O ATOM 1621 CB PRO A 105 116.118 20.086 8.782 1.00 0.00 C ATOM 1622 CG PRO A 105 117.076 20.087 9.918 1.00 0.00 C ATOM 1623 CD PRO A 105 117.576 18.674 10.040 1.00 0.00 C ATOM 0 HA PRO A 105 114.529 18.679 9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 105 116.630 20.233 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 105 115.387 20.889 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.899 20.778 9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.589 20.410 10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.512 18.532 9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.764 18.404 11.079 1.00 0.00 H new ATOM 1631 N ARG A 106 115.966 17.912 6.600 1.00 0.00 N ATOM 1632 CA ARG A 106 115.657 17.559 5.219 1.00 0.00 C ATOM 1633 C ARG A 106 115.092 16.141 5.136 1.00 0.00 C ATOM 1634 O ARG A 106 114.295 15.826 4.247 1.00 0.00 O ATOM 1635 CB ARG A 106 116.902 17.711 4.337 1.00 0.00 C ATOM 1636 CG ARG A 106 116.641 17.490 2.855 1.00 0.00 C ATOM 1637 CD ARG A 106 117.863 17.825 2.013 1.00 0.00 C ATOM 1638 NE ARG A 106 119.027 17.030 2.396 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.137 16.922 1.662 1.00 0.00 C ATOM 1640 NH1 ARG A 106 120.245 17.569 0.507 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.145 16.174 2.092 1.00 0.00 N ATOM 0 H ARG A 106 116.956 17.856 6.841 1.00 0.00 H new ATOM 0 HA ARG A 106 114.894 18.243 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.315 18.710 4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.660 17.003 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 106 116.356 16.451 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 106 115.800 18.107 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 106 117.637 17.652 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 106 118.097 18.884 2.119 1.00 0.00 H new ATOM 0 HE ARG A 106 118.989 16.525 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 106 119.477 18.153 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 106 121.096 17.482 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.071 15.682 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 106 121.993 16.091 1.532 1.00 0.00 H new ATOM 1655 N LEU A 107 115.485 15.294 6.079 1.00 0.00 N ATOM 1656 CA LEU A 107 114.950 13.941 6.161 1.00 0.00 C ATOM 1657 C LEU A 107 113.573 13.964 6.801 1.00 0.00 C ATOM 1658 O LEU A 107 112.747 13.081 6.571 1.00 0.00 O ATOM 1659 CB LEU A 107 115.882 13.028 6.958 1.00 0.00 C ATOM 1660 CG LEU A 107 117.208 12.702 6.275 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.034 11.759 7.137 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.959 12.097 4.902 1.00 0.00 C ATOM 0 H LEU A 107 116.172 15.520 6.798 1.00 0.00 H new ATOM 0 HA LEU A 107 114.870 13.545 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.092 13.498 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.360 12.095 7.167 1.00 0.00 H new ATOM 0 HG LEU A 107 117.771 13.627 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.976 11.537 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.238 12.230 8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.481 10.833 7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.913 11.869 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.379 11.180 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.407 12.807 4.286 1.00 0.00 H new ATOM 1674 N ALA A 108 113.327 14.998 7.592 1.00 0.00 N ATOM 1675 CA ALA A 108 112.028 15.198 8.212 1.00 0.00 C ATOM 1676 C ALA A 108 111.002 15.633 7.174 1.00 0.00 C ATOM 1677 O ALA A 108 109.800 15.675 7.444 1.00 0.00 O ATOM 1678 CB ALA A 108 112.126 16.224 9.332 1.00 0.00 C ATOM 0 H ALA A 108 114.016 15.715 7.820 1.00 0.00 H new ATOM 0 HA ALA A 108 111.700 14.251 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.145 16.362 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.829 15.872 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.475 17.174 8.926 1.00 0.00 H new ATOM 1684 N ASP A 109 111.482 15.954 5.981 1.00 0.00 N ATOM 1685 CA ASP A 109 110.606 16.329 4.882 1.00 0.00 C ATOM 1686 C ASP A 109 110.647 15.261 3.785 1.00 0.00 C ATOM 1687 O ASP A 109 109.994 15.384 2.752 1.00 0.00 O ATOM 1688 CB ASP A 109 111.013 17.696 4.325 1.00 0.00 C ATOM 1689 CG ASP A 109 109.998 18.257 3.349 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.909 18.688 3.795 1.00 0.00 O ATOM 1691 OD2 ASP A 109 110.281 18.272 2.132 1.00 0.00 O ATOM 0 H ASP A 109 112.475 15.962 5.750 1.00 0.00 H new ATOM 0 HA ASP A 109 109.583 16.400 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.142 18.396 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 109 111.979 17.608 3.828 1.00 0.00 H new ATOM 1696 N MET A 110 111.408 14.200 4.029 1.00 0.00 N ATOM 1697 CA MET A 110 111.495 13.082 3.090 1.00 0.00 C ATOM 1698 C MET A 110 110.134 12.390 2.999 1.00 0.00 C ATOM 1699 O MET A 110 109.322 12.519 3.916 1.00 0.00 O ATOM 1700 CB MET A 110 112.583 12.102 3.554 1.00 0.00 C ATOM 1701 CG MET A 110 112.850 10.953 2.592 1.00 0.00 C ATOM 1702 SD MET A 110 114.221 9.904 3.117 1.00 0.00 S ATOM 1703 CE MET A 110 113.648 9.367 4.725 1.00 0.00 C ATOM 0 H MET A 110 111.975 14.088 4.869 1.00 0.00 H new ATOM 0 HA MET A 110 111.765 13.447 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.510 12.654 3.707 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.295 11.690 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.949 10.346 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 110 113.066 11.356 1.603 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.287 9.792 5.499 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.622 9.703 4.877 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.685 8.279 4.780 1.00 0.00 H new ATOM 1713 N ALA A 111 109.881 11.673 1.902 1.00 0.00 N ATOM 1714 CA ALA A 111 108.587 11.021 1.682 1.00 0.00 C ATOM 1715 C ALA A 111 108.162 10.187 2.886 1.00 0.00 C ATOM 1716 O ALA A 111 106.996 10.197 3.268 1.00 0.00 O ATOM 1717 CB ALA A 111 108.620 10.151 0.430 1.00 0.00 C ATOM 0 H ALA A 111 110.556 11.529 1.151 1.00 0.00 H new ATOM 0 HA ALA A 111 107.851 11.812 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.648 9.679 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.852 10.770 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.384 9.382 0.541 1.00 0.00 H new ATOM 1723 N LEU A 112 109.122 9.496 3.495 1.00 0.00 N ATOM 1724 CA LEU A 112 108.853 8.649 4.658 1.00 0.00 C ATOM 1725 C LEU A 112 108.251 9.458 5.809 1.00 0.00 C ATOM 1726 O LEU A 112 107.427 8.952 6.575 1.00 0.00 O ATOM 1727 CB LEU A 112 110.148 7.969 5.116 1.00 0.00 C ATOM 1728 CG LEU A 112 110.023 7.063 6.346 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.085 5.896 6.068 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.393 6.555 6.773 1.00 0.00 C ATOM 0 H LEU A 112 110.099 9.505 3.202 1.00 0.00 H new ATOM 0 HA LEU A 112 108.127 7.891 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.538 7.376 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.887 8.742 5.330 1.00 0.00 H new ATOM 0 HG LEU A 112 109.600 7.651 7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.013 5.268 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.096 6.277 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 112 109.473 5.307 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 112 111.287 5.913 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 112 111.840 5.986 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.034 7.401 7.020 1.00 0.00 H new ATOM 1742 N MET A 113 108.654 10.717 5.916 1.00 0.00 N ATOM 1743 CA MET A 113 108.193 11.572 6.996 1.00 0.00 C ATOM 1744 C MET A 113 106.990 12.395 6.544 1.00 0.00 C ATOM 1745 O MET A 113 106.272 12.967 7.364 1.00 0.00 O ATOM 1746 CB MET A 113 109.318 12.494 7.461 1.00 0.00 C ATOM 1747 CG MET A 113 109.145 12.984 8.888 1.00 0.00 C ATOM 1748 SD MET A 113 109.157 11.630 10.079 1.00 0.00 S ATOM 1749 CE MET A 113 110.747 10.886 9.721 1.00 0.00 C ATOM 0 H MET A 113 109.299 11.167 5.267 1.00 0.00 H new ATOM 0 HA MET A 113 107.891 10.941 7.832 1.00 0.00 H new ATOM 0 HB2 MET A 113 110.268 11.966 7.379 1.00 0.00 H new ATOM 0 HB3 MET A 113 109.372 13.354 6.793 1.00 0.00 H new ATOM 0 HG2 MET A 113 109.944 13.685 9.129 1.00 0.00 H new ATOM 0 HG3 MET A 113 108.206 13.531 8.971 1.00 0.00 H new ATOM 0 HE1 MET A 113 111.017 10.200 10.524 1.00 0.00 H new ATOM 0 HE2 MET A 113 110.689 10.339 8.780 1.00 0.00 H new ATOM 0 HE3 MET A 113 111.504 11.666 9.641 1.00 0.00 H new ATOM 1759 N LYS A 114 106.795 12.472 5.230 1.00 0.00 N ATOM 1760 CA LYS A 114 105.610 13.111 4.671 1.00 0.00 C ATOM 1761 C LYS A 114 104.424 12.159 4.733 1.00 0.00 C ATOM 1762 O LYS A 114 103.354 12.506 5.231 1.00 0.00 O ATOM 1763 CB LYS A 114 105.826 13.533 3.212 1.00 0.00 C ATOM 1764 CG LYS A 114 106.617 14.818 3.024 1.00 0.00 C ATOM 1765 CD LYS A 114 106.384 15.391 1.630 1.00 0.00 C ATOM 1766 CE LYS A 114 107.021 16.761 1.450 1.00 0.00 C ATOM 1767 NZ LYS A 114 108.445 16.676 1.037 1.00 0.00 N ATOM 0 H LYS A 114 107.442 12.100 4.535 1.00 0.00 H new ATOM 0 HA LYS A 114 105.413 14.002 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 114 106.341 12.727 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.853 13.651 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 114 106.321 15.548 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.679 14.622 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.789 14.705 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.312 15.465 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.462 17.323 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 114 106.950 17.317 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.927 17.569 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 108.907 15.893 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 108.500 16.506 0.012 1.00 0.00 H new ATOM 1781 N TYR A 115 104.623 10.956 4.213 1.00 0.00 N ATOM 1782 CA TYR A 115 103.572 9.958 4.162 1.00 0.00 C ATOM 1783 C TYR A 115 104.087 8.631 4.696 1.00 0.00 C ATOM 1784 O TYR A 115 104.607 7.810 3.945 1.00 0.00 O ATOM 1785 CB TYR A 115 103.072 9.760 2.726 1.00 0.00 C ATOM 1786 CG TYR A 115 102.657 11.034 2.026 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.445 11.647 2.313 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.480 11.620 1.073 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.067 12.809 1.670 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.107 12.781 0.426 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.900 13.371 0.728 1.00 0.00 C ATOM 1792 OH TYR A 115 101.523 14.526 0.084 1.00 0.00 O ATOM 0 H TYR A 115 105.512 10.649 3.818 1.00 0.00 H new ATOM 0 HA TYR A 115 102.745 10.310 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 115 103.859 9.280 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.224 9.076 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.788 11.209 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.427 11.160 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.122 13.275 1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.758 13.224 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 115 102.223 14.791 -0.549 1.00 0.00 H new ATOM 1802 N SER A 116 103.941 8.416 5.994 1.00 0.00 N ATOM 1803 CA SER A 116 104.385 7.170 6.605 1.00 0.00 C ATOM 1804 C SER A 116 103.440 6.018 6.244 1.00 0.00 C ATOM 1805 O SER A 116 103.645 4.875 6.652 1.00 0.00 O ATOM 1806 CB SER A 116 104.484 7.340 8.120 1.00 0.00 C ATOM 1807 OG SER A 116 105.363 8.405 8.453 1.00 0.00 O ATOM 0 H SER A 116 103.522 9.082 6.642 1.00 0.00 H new ATOM 0 HA SER A 116 105.373 6.922 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.495 7.536 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 116 104.840 6.414 8.572 1.00 0.00 H new ATOM 0 HG SER A 116 106.024 8.519 7.738 1.00 0.00 H new ATOM 1813 N ARG A 117 102.406 6.336 5.472 1.00 0.00 N ATOM 1814 CA ARG A 117 101.457 5.342 4.988 1.00 0.00 C ATOM 1815 C ARG A 117 101.928 4.762 3.650 1.00 0.00 C ATOM 1816 O ARG A 117 101.478 3.695 3.226 1.00 0.00 O ATOM 1817 CB ARG A 117 100.075 5.985 4.818 1.00 0.00 C ATOM 1818 CG ARG A 117 98.978 5.011 4.408 1.00 0.00 C ATOM 1819 CD ARG A 117 98.305 4.360 5.610 1.00 0.00 C ATOM 1820 NE ARG A 117 99.237 3.611 6.451 1.00 0.00 N ATOM 1821 CZ ARG A 117 98.925 2.474 7.071 1.00 0.00 C ATOM 1822 NH1 ARG A 117 97.719 1.939 6.918 1.00 0.00 N ATOM 1823 NH2 ARG A 117 99.822 1.877 7.849 1.00 0.00 N ATOM 0 H ARG A 117 102.203 7.287 5.165 1.00 0.00 H new ATOM 0 HA ARG A 117 101.393 4.534 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.790 6.461 5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 117 100.144 6.774 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 117 98.229 5.538 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.403 4.237 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.822 5.131 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.520 3.689 5.261 1.00 0.00 H new ATOM 0 HE ARG A 117 100.180 3.980 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 117 97.029 2.399 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 117 97.483 1.068 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 117 100.747 2.290 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 117 99.585 1.006 8.325 1.00 0.00 H new ATOM 1837 N LEU A 118 102.844 5.467 3.000 1.00 0.00 N ATOM 1838 CA LEU A 118 103.315 5.078 1.676 1.00 0.00 C ATOM 1839 C LEU A 118 104.249 3.872 1.781 1.00 0.00 C ATOM 1840 O LEU A 118 105.250 3.907 2.498 1.00 0.00 O ATOM 1841 CB LEU A 118 104.021 6.264 1.007 1.00 0.00 C ATOM 1842 CG LEU A 118 104.281 6.119 -0.495 1.00 0.00 C ATOM 1843 CD1 LEU A 118 102.982 5.889 -1.243 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.983 7.355 -1.037 1.00 0.00 C ATOM 0 H LEU A 118 103.277 6.314 3.369 1.00 0.00 H new ATOM 0 HA LEU A 118 102.462 4.792 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.420 7.159 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.975 6.425 1.509 1.00 0.00 H new ATOM 0 HG LEU A 118 104.927 5.254 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.189 5.789 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.508 4.978 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.314 6.735 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.160 7.234 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.357 8.232 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.936 7.486 -0.524 1.00 0.00 H new ATOM 1856 N SER A 119 103.900 2.797 1.083 1.00 0.00 N ATOM 1857 CA SER A 119 104.650 1.548 1.164 1.00 0.00 C ATOM 1858 C SER A 119 105.904 1.584 0.288 1.00 0.00 C ATOM 1859 O SER A 119 106.991 1.215 0.730 1.00 0.00 O ATOM 1860 CB SER A 119 103.752 0.384 0.754 1.00 0.00 C ATOM 1861 OG SER A 119 102.518 0.435 1.450 1.00 0.00 O ATOM 0 H SER A 119 103.099 2.765 0.452 1.00 0.00 H new ATOM 0 HA SER A 119 104.975 1.414 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 119 103.571 0.418 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.254 -0.561 0.963 1.00 0.00 H new ATOM 0 HG SER A 119 102.022 -0.396 1.297 1.00 0.00 H new ATOM 1867 N VAL A 120 105.743 2.013 -0.956 1.00 0.00 N ATOM 1868 CA VAL A 120 106.868 2.140 -1.873 1.00 0.00 C ATOM 1869 C VAL A 120 107.054 3.602 -2.242 1.00 0.00 C ATOM 1870 O VAL A 120 106.242 4.183 -2.964 1.00 0.00 O ATOM 1871 CB VAL A 120 106.674 1.295 -3.151 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.826 1.515 -4.123 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.546 -0.183 -2.804 1.00 0.00 C ATOM 0 H VAL A 120 104.843 2.280 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 120 107.757 1.764 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 120 105.751 1.617 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.669 0.910 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.871 2.568 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.763 1.224 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.410 -0.761 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.450 -0.517 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.686 -0.330 -2.150 1.00 0.00 H new ATOM 1883 N GLN A 121 108.120 4.191 -1.733 1.00 0.00 N ATOM 1884 CA GLN A 121 108.323 5.626 -1.834 1.00 0.00 C ATOM 1885 C GLN A 121 109.484 5.960 -2.761 1.00 0.00 C ATOM 1886 O GLN A 121 110.451 5.206 -2.848 1.00 0.00 O ATOM 1887 CB GLN A 121 108.580 6.193 -0.439 1.00 0.00 C ATOM 1888 CG GLN A 121 107.546 5.740 0.575 1.00 0.00 C ATOM 1889 CD GLN A 121 107.728 6.376 1.931 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.489 5.726 2.791 1.00 0.00 O flip ATOM 1891 NE2 GLN A 121 107.186 7.438 2.204 1.00 0.00 N flip ATOM 0 H GLN A 121 108.864 3.695 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 121 107.426 6.077 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.571 5.887 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.582 7.282 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.550 5.977 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.598 4.656 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 121 106.605 7.908 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 121 107.315 7.854 3.126 1.00 0.00 H new ATOM 1900 N PRO A 122 109.390 7.086 -3.482 1.00 0.00 N ATOM 1901 CA PRO A 122 110.450 7.564 -4.356 1.00 0.00 C ATOM 1902 C PRO A 122 111.463 8.425 -3.602 1.00 0.00 C ATOM 1903 O PRO A 122 111.099 9.405 -2.946 1.00 0.00 O ATOM 1904 CB PRO A 122 109.701 8.407 -5.400 1.00 0.00 C ATOM 1905 CG PRO A 122 108.273 8.487 -4.939 1.00 0.00 C ATOM 1906 CD PRO A 122 108.237 7.984 -3.524 1.00 0.00 C ATOM 0 HA PRO A 122 111.027 6.747 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.139 9.402 -5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.765 7.949 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 122 107.908 9.513 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.627 7.885 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.327 8.795 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.307 7.462 -3.302 1.00 0.00 H new ATOM 1914 N VAL A 123 112.730 8.062 -3.698 1.00 0.00 N ATOM 1915 CA VAL A 123 113.785 8.791 -3.012 1.00 0.00 C ATOM 1916 C VAL A 123 114.739 9.415 -4.023 1.00 0.00 C ATOM 1917 O VAL A 123 115.133 8.769 -4.993 1.00 0.00 O ATOM 1918 CB VAL A 123 114.576 7.864 -2.060 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.663 8.632 -1.325 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.644 7.194 -1.065 1.00 0.00 C ATOM 0 H VAL A 123 113.055 7.265 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 123 113.316 9.577 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 123 115.052 7.094 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.203 7.955 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.356 9.062 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.210 9.430 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.221 6.546 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.136 7.955 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 123 112.905 6.599 -1.602 1.00 0.00 H new ATOM 1930 N THR A 124 115.087 10.673 -3.816 1.00 0.00 N ATOM 1931 CA THR A 124 116.048 11.336 -4.679 1.00 0.00 C ATOM 1932 C THR A 124 117.467 11.034 -4.212 1.00 0.00 C ATOM 1933 O THR A 124 117.672 10.663 -3.056 1.00 0.00 O ATOM 1934 CB THR A 124 115.823 12.861 -4.702 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.834 13.382 -3.365 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.501 13.199 -5.371 1.00 0.00 C ATOM 0 H THR A 124 114.720 11.253 -3.062 1.00 0.00 H new ATOM 0 HA THR A 124 115.907 10.954 -5.690 1.00 0.00 H new ATOM 0 HB THR A 124 116.632 13.317 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 124 114.951 13.257 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.362 14.280 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.507 12.829 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.685 12.731 -4.821 1.00 0.00 H new ATOM 1944 N ALA A 125 118.436 11.182 -5.108 1.00 0.00 N ATOM 1945 CA ALA A 125 119.838 10.948 -4.774 1.00 0.00 C ATOM 1946 C ALA A 125 120.258 11.778 -3.566 1.00 0.00 C ATOM 1947 O ALA A 125 121.015 11.313 -2.720 1.00 0.00 O ATOM 1948 CB ALA A 125 120.726 11.266 -5.967 1.00 0.00 C ATOM 0 H ALA A 125 118.277 11.464 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 125 119.954 9.895 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.768 11.087 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.450 10.628 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.597 12.311 -6.248 1.00 0.00 H new ATOM 1954 N GLU A 126 119.751 13.004 -3.497 1.00 0.00 N ATOM 1955 CA GLU A 126 120.029 13.905 -2.384 1.00 0.00 C ATOM 1956 C GLU A 126 119.668 13.250 -1.050 1.00 0.00 C ATOM 1957 O GLU A 126 120.492 13.172 -0.135 1.00 0.00 O ATOM 1958 CB GLU A 126 119.243 15.216 -2.541 1.00 0.00 C ATOM 1959 CG GLU A 126 119.521 15.975 -3.837 1.00 0.00 C ATOM 1960 CD GLU A 126 118.767 15.422 -5.036 1.00 0.00 C ATOM 1961 OE1 GLU A 126 119.241 14.441 -5.643 1.00 0.00 O ATOM 1962 OE2 GLU A 126 117.702 15.975 -5.383 1.00 0.00 O ATOM 0 H GLU A 126 119.137 13.401 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 126 121.097 14.124 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.177 14.994 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.476 15.866 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 126 119.252 17.023 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.591 15.945 -4.045 1.00 0.00 H new ATOM 1969 N GLU A 127 118.435 12.768 -0.959 1.00 0.00 N ATOM 1970 CA GLU A 127 117.944 12.123 0.251 1.00 0.00 C ATOM 1971 C GLU A 127 118.664 10.795 0.477 1.00 0.00 C ATOM 1972 O GLU A 127 119.093 10.488 1.592 1.00 0.00 O ATOM 1973 CB GLU A 127 116.438 11.891 0.131 1.00 0.00 C ATOM 1974 CG GLU A 127 115.662 13.154 -0.207 1.00 0.00 C ATOM 1975 CD GLU A 127 114.226 12.875 -0.597 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.997 12.378 -1.724 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.319 13.168 0.208 1.00 0.00 O ATOM 0 H GLU A 127 117.752 12.813 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 127 118.142 12.771 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.253 11.142 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.064 11.483 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.676 13.824 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.161 13.673 -1.025 1.00 0.00 H new ATOM 1984 N TRP A 128 118.800 10.027 -0.599 1.00 0.00 N ATOM 1985 CA TRP A 128 119.474 8.734 -0.570 1.00 0.00 C ATOM 1986 C TRP A 128 120.872 8.847 0.030 1.00 0.00 C ATOM 1987 O TRP A 128 121.195 8.188 1.023 1.00 0.00 O ATOM 1988 CB TRP A 128 119.569 8.169 -1.993 1.00 0.00 C ATOM 1989 CG TRP A 128 120.319 6.875 -2.077 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.666 6.713 -2.243 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.763 5.563 -2.004 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.980 5.379 -2.264 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.828 4.652 -2.121 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.466 5.070 -1.846 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.632 3.277 -2.084 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.275 3.706 -1.812 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.353 2.823 -1.928 1.00 0.00 C ATOM 0 H TRP A 128 118.444 10.285 -1.519 1.00 0.00 H new ATOM 0 HA TRP A 128 118.889 8.062 0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.562 8.022 -2.384 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.056 8.904 -2.635 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.379 7.518 -2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.918 4.991 -2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.628 5.745 -1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.461 2.591 -2.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.276 3.312 -1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.171 1.759 -1.894 1.00 0.00 H new ATOM 2008 N LYS A 129 121.695 9.690 -0.579 1.00 0.00 N ATOM 2009 CA LYS A 129 123.086 9.837 -0.177 1.00 0.00 C ATOM 2010 C LYS A 129 123.189 10.388 1.237 1.00 0.00 C ATOM 2011 O LYS A 129 124.127 10.064 1.966 1.00 0.00 O ATOM 2012 CB LYS A 129 123.826 10.743 -1.162 1.00 0.00 C ATOM 2013 CG LYS A 129 123.874 10.179 -2.575 1.00 0.00 C ATOM 2014 CD LYS A 129 124.393 11.197 -3.577 1.00 0.00 C ATOM 2015 CE LYS A 129 125.831 11.591 -3.288 1.00 0.00 C ATOM 2016 NZ LYS A 129 126.339 12.579 -4.271 1.00 0.00 N ATOM 0 H LYS A 129 121.420 10.286 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 129 123.552 8.852 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.341 11.719 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.844 10.901 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.513 9.296 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 129 122.876 9.856 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.325 10.784 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 129 123.761 12.085 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 129 125.899 12.009 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.462 10.702 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 127.323 12.823 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 126.298 12.171 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.752 13.437 -4.236 1.00 0.00 H new ATOM 2030 N LEU A 130 122.218 11.207 1.628 1.00 0.00 N ATOM 2031 CA LEU A 130 122.203 11.764 2.970 1.00 0.00 C ATOM 2032 C LEU A 130 122.045 10.661 4.007 1.00 0.00 C ATOM 2033 O LEU A 130 122.850 10.558 4.924 1.00 0.00 O ATOM 2034 CB LEU A 130 121.081 12.785 3.136 1.00 0.00 C ATOM 2035 CG LEU A 130 121.029 13.440 4.518 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.284 14.257 4.772 1.00 0.00 C ATOM 2037 CD2 LEU A 130 119.799 14.313 4.652 1.00 0.00 C ATOM 0 H LEU A 130 121.438 11.496 1.038 1.00 0.00 H new ATOM 0 HA LEU A 130 123.157 12.269 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.198 13.563 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.127 12.295 2.942 1.00 0.00 H new ATOM 0 HG LEU A 130 120.974 12.648 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.227 14.714 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.158 13.607 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.370 15.037 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.782 14.769 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.823 15.095 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 130 118.905 13.705 4.517 1.00 0.00 H new ATOM 2049 N VAL A 131 121.017 9.829 3.845 1.00 0.00 N ATOM 2050 CA VAL A 131 120.742 8.750 4.794 1.00 0.00 C ATOM 2051 C VAL A 131 121.929 7.797 4.901 1.00 0.00 C ATOM 2052 O VAL A 131 122.261 7.323 5.989 1.00 0.00 O ATOM 2053 CB VAL A 131 119.477 7.953 4.405 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.243 6.795 5.367 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.264 8.867 4.380 1.00 0.00 C ATOM 0 H VAL A 131 120.361 9.881 3.066 1.00 0.00 H new ATOM 0 HA VAL A 131 120.571 9.220 5.762 1.00 0.00 H new ATOM 0 HB VAL A 131 119.630 7.542 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.346 6.251 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.100 6.123 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.114 7.182 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.380 8.291 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.118 9.305 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.422 9.661 3.650 1.00 0.00 H new ATOM 2065 N CYS A 132 122.575 7.533 3.771 1.00 0.00 N ATOM 2066 CA CYS A 132 123.749 6.673 3.745 1.00 0.00 C ATOM 2067 C CYS A 132 124.842 7.229 4.656 1.00 0.00 C ATOM 2068 O CYS A 132 125.305 6.553 5.575 1.00 0.00 O ATOM 2069 CB CYS A 132 124.275 6.537 2.315 1.00 0.00 C ATOM 2070 SG CYS A 132 123.079 5.848 1.148 1.00 0.00 S ATOM 0 H CYS A 132 122.304 7.904 2.860 1.00 0.00 H new ATOM 0 HA CYS A 132 123.461 5.687 4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.588 7.519 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.162 5.904 2.325 1.00 0.00 H new ATOM 0 HG CYS A 132 122.060 6.649 1.047 1.00 0.00 H new ATOM 2076 N LYS A 133 125.225 8.479 4.414 1.00 0.00 N ATOM 2077 CA LYS A 133 126.272 9.127 5.197 1.00 0.00 C ATOM 2078 C LYS A 133 125.823 9.320 6.642 1.00 0.00 C ATOM 2079 O LYS A 133 126.620 9.231 7.576 1.00 0.00 O ATOM 2080 CB LYS A 133 126.619 10.486 4.601 1.00 0.00 C ATOM 2081 CG LYS A 133 127.001 10.454 3.132 1.00 0.00 C ATOM 2082 CD LYS A 133 127.393 11.839 2.647 1.00 0.00 C ATOM 2083 CE LYS A 133 126.256 12.837 2.814 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.752 14.237 2.817 1.00 0.00 N ATOM 0 H LYS A 133 124.825 9.064 3.681 1.00 0.00 H new ATOM 0 HA LYS A 133 127.151 8.483 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 133 125.765 11.152 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 133 127.444 10.917 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.830 9.763 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 133 126.164 10.080 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.265 12.185 3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 133 127.682 11.789 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.536 12.707 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 133 125.728 12.635 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 125.950 14.889 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.420 14.367 3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.234 14.437 1.917 1.00 0.00 H new ATOM 2098 N MET A 134 124.534 9.593 6.802 1.00 0.00 N ATOM 2099 CA MET A 134 123.924 9.815 8.108 1.00 0.00 C ATOM 2100 C MET A 134 124.074 8.565 8.971 1.00 0.00 C ATOM 2101 O MET A 134 124.311 8.648 10.177 1.00 0.00 O ATOM 2102 CB MET A 134 122.444 10.167 7.903 1.00 0.00 C ATOM 2103 CG MET A 134 121.791 10.928 9.046 1.00 0.00 C ATOM 2104 SD MET A 134 121.367 9.891 10.452 1.00 0.00 S ATOM 2105 CE MET A 134 120.241 10.989 11.303 1.00 0.00 C ATOM 0 H MET A 134 123.878 9.667 6.025 1.00 0.00 H new ATOM 0 HA MET A 134 124.421 10.638 8.622 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.352 10.761 6.994 1.00 0.00 H new ATOM 0 HB3 MET A 134 121.888 9.244 7.739 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.465 11.717 9.378 1.00 0.00 H new ATOM 0 HG3 MET A 134 120.887 11.414 8.678 1.00 0.00 H new ATOM 0 HE1 MET A 134 120.261 10.774 12.371 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.544 12.022 11.135 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.231 10.841 10.922 1.00 0.00 H new ATOM 2115 N GLY A 135 123.979 7.406 8.328 1.00 0.00 N ATOM 2116 CA GLY A 135 124.159 6.146 9.019 1.00 0.00 C ATOM 2117 C GLY A 135 125.620 5.762 9.154 1.00 0.00 C ATOM 2118 O GLY A 135 125.948 4.582 9.259 1.00 0.00 O ATOM 0 H GLY A 135 123.779 7.319 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.711 6.212 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.628 5.361 8.480 1.00 0.00 H new ATOM 2122 N GLY A 136 126.501 6.756 9.114 1.00 0.00 N ATOM 2123 CA GLY A 136 127.911 6.517 9.356 1.00 0.00 C ATOM 2124 C GLY A 136 128.667 6.089 8.114 1.00 0.00 C ATOM 2125 O GLY A 136 129.889 5.940 8.143 1.00 0.00 O ATOM 0 H GLY A 136 126.261 7.728 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.364 7.425 9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.016 5.747 10.121 1.00 0.00 H new ATOM 2129 N LEU A 137 127.950 5.895 7.017 1.00 0.00 N ATOM 2130 CA LEU A 137 128.565 5.435 5.781 1.00 0.00 C ATOM 2131 C LEU A 137 129.106 6.617 4.978 1.00 0.00 C ATOM 2132 O LEU A 137 128.443 7.136 4.077 1.00 0.00 O ATOM 2133 CB LEU A 137 127.556 4.634 4.954 1.00 0.00 C ATOM 2134 CG LEU A 137 128.086 4.066 3.640 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.160 2.550 3.707 1.00 0.00 C ATOM 2136 CD2 LEU A 137 127.205 4.517 2.488 1.00 0.00 C ATOM 0 H LEU A 137 126.943 6.049 6.958 1.00 0.00 H new ATOM 0 HA LEU A 137 129.402 4.783 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 137 127.187 3.809 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.702 5.275 4.734 1.00 0.00 H new ATOM 0 HG LEU A 137 129.095 4.443 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.540 2.162 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.828 2.254 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.165 2.145 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 137 127.590 4.108 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 137 126.187 4.162 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 137 127.205 5.606 2.434 1.00 0.00 H new ATOM 2148 N LEU A 138 130.304 7.054 5.332 1.00 0.00 N ATOM 2149 CA LEU A 138 130.948 8.172 4.657 1.00 0.00 C ATOM 2150 C LEU A 138 132.456 8.055 4.833 1.00 0.00 C ATOM 2151 O LEU A 138 133.195 7.796 3.881 1.00 0.00 O ATOM 2152 CB LEU A 138 130.450 9.504 5.249 1.00 0.00 C ATOM 2153 CG LEU A 138 130.574 10.748 4.350 1.00 0.00 C ATOM 2154 CD1 LEU A 138 130.042 11.974 5.075 1.00 0.00 C ATOM 2155 CD2 LEU A 138 132.012 10.991 3.913 1.00 0.00 C ATOM 0 H LEU A 138 130.855 6.648 6.089 1.00 0.00 H new ATOM 0 HA LEU A 138 130.700 8.150 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 138 129.402 9.384 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 138 131.000 9.694 6.171 1.00 0.00 H new ATOM 0 HG LEU A 138 129.979 10.565 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 138 130.135 12.847 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 138 128.993 11.820 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 138 130.616 12.135 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 138 132.055 11.878 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 138 132.639 11.141 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 138 132.373 10.128 3.353 1.00 0.00 H new ATOM 2167 N GLU A 139 132.893 8.233 6.067 1.00 0.00 N ATOM 2168 CA GLU A 139 134.303 8.197 6.403 1.00 0.00 C ATOM 2169 C GLU A 139 134.543 7.065 7.396 1.00 0.00 C ATOM 2170 O GLU A 139 133.591 6.458 7.895 1.00 0.00 O ATOM 2171 CB GLU A 139 134.715 9.543 7.017 1.00 0.00 C ATOM 2172 CG GLU A 139 136.092 10.046 6.595 1.00 0.00 C ATOM 2173 CD GLU A 139 137.219 9.128 7.010 1.00 0.00 C ATOM 2174 OE1 GLU A 139 137.523 9.047 8.218 1.00 0.00 O ATOM 2175 OE2 GLU A 139 137.800 8.468 6.130 1.00 0.00 O ATOM 0 H GLU A 139 132.280 8.406 6.863 1.00 0.00 H new ATOM 0 HA GLU A 139 134.900 8.023 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 139 133.971 10.292 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 139 134.694 9.452 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 139 136.111 10.166 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 139 136.259 11.033 7.028 1.00 0.00 H new ATOM 2182 N HIS A 140 135.802 6.770 7.665 1.00 0.00 N ATOM 2183 CA HIS A 140 136.150 5.817 8.696 1.00 0.00 C ATOM 2184 C HIS A 140 135.868 6.423 10.066 1.00 0.00 C ATOM 2185 O HIS A 140 135.226 5.788 10.901 1.00 0.00 O ATOM 2186 CB HIS A 140 137.620 5.402 8.581 1.00 0.00 C ATOM 2187 CG HIS A 140 138.002 4.293 9.515 1.00 0.00 C ATOM 2188 ND1 HIS A 140 137.931 2.963 9.169 1.00 0.00 N ATOM 2189 CD2 HIS A 140 138.459 4.323 10.789 1.00 0.00 C ATOM 2190 CE1 HIS A 140 138.327 2.224 10.185 1.00 0.00 C ATOM 2191 NE2 HIS A 140 138.652 3.024 11.181 1.00 0.00 N ATOM 0 H HIS A 140 136.601 7.180 7.181 1.00 0.00 H new ATOM 0 HA HIS A 140 135.541 4.922 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 140 137.822 5.090 7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 140 138.251 6.268 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 140 138.638 5.206 11.385 1.00 0.00 H new ATOM 0 HE1 HIS A 140 138.377 1.145 10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 140 138.992 2.725 12.095 1.00 0.00 H new ATOM 2200 N HIS A 141 136.336 7.659 10.288 1.00 0.00 N ATOM 2201 CA HIS A 141 136.102 8.349 11.565 1.00 0.00 C ATOM 2202 C HIS A 141 136.638 9.785 11.593 1.00 0.00 C ATOM 2203 O HIS A 141 136.349 10.517 12.539 1.00 0.00 O ATOM 2204 CB HIS A 141 136.722 7.579 12.737 1.00 0.00 C ATOM 2205 CG HIS A 141 135.710 6.982 13.673 1.00 0.00 C ATOM 2206 ND1 HIS A 141 134.834 7.738 14.427 1.00 0.00 N ATOM 2207 CD2 HIS A 141 135.431 5.689 13.967 1.00 0.00 C ATOM 2208 CE1 HIS A 141 134.067 6.937 15.141 1.00 0.00 C ATOM 2209 NE2 HIS A 141 134.408 5.690 14.881 1.00 0.00 N ATOM 0 H HIS A 141 136.873 8.197 9.608 1.00 0.00 H new ATOM 0 HA HIS A 141 135.018 8.390 11.667 1.00 0.00 H new ATOM 0 HB2 HIS A 141 137.353 6.782 12.343 1.00 0.00 H new ATOM 0 HB3 HIS A 141 137.371 8.251 13.299 1.00 0.00 H new ATOM 0 HD2 HIS A 141 135.923 4.819 13.558 1.00 0.00 H new ATOM 0 HE1 HIS A 141 133.291 7.250 15.824 1.00 0.00 H new ATOM 0 HE2 HIS A 141 133.980 4.861 15.293 1.00 0.00 H new ATOM 2218 N HIS A 142 137.405 10.208 10.592 1.00 0.00 N ATOM 2219 CA HIS A 142 138.011 11.539 10.655 1.00 0.00 C ATOM 2220 C HIS A 142 137.217 12.549 9.827 1.00 0.00 C ATOM 2221 O HIS A 142 136.891 12.309 8.665 1.00 0.00 O ATOM 2222 CB HIS A 142 139.503 11.521 10.253 1.00 0.00 C ATOM 2223 CG HIS A 142 139.803 11.404 8.781 1.00 0.00 C ATOM 2224 ND1 HIS A 142 140.125 10.213 8.167 1.00 0.00 N ATOM 2225 CD2 HIS A 142 139.886 12.353 7.815 1.00 0.00 C ATOM 2226 CE1 HIS A 142 140.393 10.433 6.893 1.00 0.00 C ATOM 2227 NE2 HIS A 142 140.254 11.722 6.652 1.00 0.00 N ATOM 0 H HIS A 142 137.619 9.670 9.752 1.00 0.00 H new ATOM 0 HA HIS A 142 137.972 11.859 11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 142 139.967 12.435 10.624 1.00 0.00 H new ATOM 0 HB3 HIS A 142 139.984 10.688 10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 142 139.698 13.409 7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 142 140.678 9.683 6.170 1.00 0.00 H new ATOM 0 HE2 HIS A 142 140.396 12.176 5.750 1.00 0.00 H new ATOM 2236 N HIS A 143 136.905 13.675 10.449 1.00 0.00 N ATOM 2237 CA HIS A 143 136.110 14.723 9.819 1.00 0.00 C ATOM 2238 C HIS A 143 136.890 15.396 8.694 1.00 0.00 C ATOM 2239 O HIS A 143 138.054 15.752 8.861 1.00 0.00 O ATOM 2240 CB HIS A 143 135.691 15.759 10.872 1.00 0.00 C ATOM 2241 CG HIS A 143 134.795 16.847 10.358 1.00 0.00 C ATOM 2242 ND1 HIS A 143 135.178 18.170 10.295 1.00 0.00 N ATOM 2243 CD2 HIS A 143 133.520 16.806 9.906 1.00 0.00 C ATOM 2244 CE1 HIS A 143 134.179 18.892 9.823 1.00 0.00 C ATOM 2245 NE2 HIS A 143 133.162 18.089 9.580 1.00 0.00 N ATOM 0 H HIS A 143 137.194 13.890 11.403 1.00 0.00 H new ATOM 0 HA HIS A 143 135.218 14.271 9.386 1.00 0.00 H new ATOM 0 HB2 HIS A 143 135.183 15.244 11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 143 136.588 16.214 11.292 1.00 0.00 H new ATOM 0 HD2 HIS A 143 132.900 15.926 9.818 1.00 0.00 H new ATOM 0 HE1 HIS A 143 134.192 19.960 9.663 1.00 0.00 H new ATOM 0 HE2 HIS A 143 132.256 18.376 9.210 1.00 0.00 H new ATOM 2254 N HIS A 144 136.246 15.559 7.547 1.00 0.00 N ATOM 2255 CA HIS A 144 136.857 16.243 6.417 1.00 0.00 C ATOM 2256 C HIS A 144 136.638 17.744 6.530 1.00 0.00 C ATOM 2257 O HIS A 144 135.501 18.215 6.489 1.00 0.00 O ATOM 2258 CB HIS A 144 136.272 15.742 5.091 1.00 0.00 C ATOM 2259 CG HIS A 144 136.815 14.424 4.628 1.00 0.00 C ATOM 2260 ND1 HIS A 144 137.182 14.190 3.322 1.00 0.00 N ATOM 2261 CD2 HIS A 144 137.030 13.261 5.289 1.00 0.00 C ATOM 2262 CE1 HIS A 144 137.596 12.946 3.196 1.00 0.00 C ATOM 2263 NE2 HIS A 144 137.517 12.358 4.374 1.00 0.00 N ATOM 0 H HIS A 144 135.298 15.226 7.375 1.00 0.00 H new ATOM 0 HA HIS A 144 137.925 16.028 6.433 1.00 0.00 H new ATOM 0 HB2 HIS A 144 135.190 15.658 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 144 136.461 16.489 4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 144 136.852 13.078 6.338 1.00 0.00 H new ATOM 0 HE1 HIS A 144 137.942 12.485 2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 144 137.775 11.392 4.573 1.00 0.00 H new ATOM 2272 N HIS A 145 137.722 18.483 6.697 1.00 0.00 N ATOM 2273 CA HIS A 145 137.657 19.933 6.753 1.00 0.00 C ATOM 2274 C HIS A 145 138.989 20.514 6.304 1.00 0.00 C ATOM 2275 O HIS A 145 139.901 20.624 7.145 1.00 0.00 O ATOM 2276 CB HIS A 145 137.320 20.408 8.171 1.00 0.00 C ATOM 2277 CG HIS A 145 136.995 21.871 8.257 1.00 0.00 C ATOM 2278 ND1 HIS A 145 137.894 22.820 8.695 1.00 0.00 N ATOM 2279 CD2 HIS A 145 135.854 22.545 7.970 1.00 0.00 C ATOM 2280 CE1 HIS A 145 137.321 24.008 8.678 1.00 0.00 C ATOM 2281 NE2 HIS A 145 136.085 23.869 8.241 1.00 0.00 N ATOM 2282 OXT HIS A 145 139.134 20.819 5.104 1.00 0.00 O ATOM 0 H HIS A 145 138.662 18.100 6.797 1.00 0.00 H new ATOM 0 HA HIS A 145 136.867 20.279 6.086 1.00 0.00 H new ATOM 0 HB2 HIS A 145 136.472 19.834 8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 145 138.164 20.193 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 145 134.934 22.118 7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 145 137.786 24.937 8.972 1.00 0.00 H new ATOM 0 HE2 HIS A 145 135.410 24.624 8.123 1.00 0.00 H new TER 2291 HIS A 145