USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 94 SER OG : rot 98:sc= 0.33 USER MOD Set 1.2: A 98 SER OG : rot -30:sc= 0.729 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 158:sc= -0.12 (180deg=-0.635) USER MOD Single : A 122 CYS SG : rot 180:sc= -4.73! USER MOD Single : A 123 ASN :FLIP amide:sc= -1.69 F(o=-2.3!,f=-1.7) USER MOD Single : A 125 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.82) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -115:sc= -3.86 (180deg=-9.93!) USER MOD Single : A 129 THR OG1 : rot -150:sc= -1.56! USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot -170:sc= -0.626 USER MOD Single : A 141 HIS : no HE2:sc= -0.477 X(o=-0.48,f=-0.34) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=-0.14) USER MOD Single : A 149 CYS SG : rot 100:sc= 0.317 USER MOD Single : A 150 TYR OH : rot 0:sc= -0.0891 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 HIS :FLIP no HD1:sc= -1.57 F(o=-2.3,f=-1.6) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.38) USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 179 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 -4.951 -14.305 -11.926 1.00 15.11 N ATOM 2 CA GLY A 86 -4.218 -15.554 -11.842 1.00 62.14 C ATOM 3 C GLY A 86 -2.894 -15.500 -12.579 1.00 12.13 C ATOM 4 O GLY A 86 -2.697 -16.168 -13.595 1.00 22.35 O ATOM 0 HA2 GLY A 86 -4.038 -15.796 -10.795 1.00 62.14 H new ATOM 0 HA3 GLY A 86 -4.828 -16.358 -12.255 1.00 62.14 H new ATOM 8 N PRO A 87 -1.959 -14.687 -12.066 1.00 3.22 N ATOM 9 CA PRO A 87 -0.632 -14.527 -12.668 1.00 3.24 C ATOM 10 C PRO A 87 0.229 -15.776 -12.511 1.00 3.41 C ATOM 11 O PRO A 87 0.043 -16.558 -11.578 1.00 2.43 O ATOM 12 CB PRO A 87 -0.027 -13.359 -11.886 1.00 24.35 C ATOM 13 CG PRO A 87 -0.731 -13.376 -10.573 1.00 52.30 C ATOM 14 CD PRO A 87 -2.126 -13.860 -10.859 1.00 21.14 C ATOM 0 HA PRO A 87 -0.689 -14.354 -13.743 1.00 3.24 H new ATOM 0 HB2 PRO A 87 1.049 -13.482 -11.760 1.00 24.35 H new ATOM 0 HB3 PRO A 87 -0.181 -12.413 -12.405 1.00 24.35 H new ATOM 0 HG2 PRO A 87 -0.226 -14.036 -9.868 1.00 52.30 H new ATOM 0 HG3 PRO A 87 -0.747 -12.382 -10.125 1.00 52.30 H new ATOM 0 HD2 PRO A 87 -2.529 -14.439 -10.028 1.00 21.14 H new ATOM 0 HD3 PRO A 87 -2.812 -13.031 -11.032 1.00 21.14 H new ATOM 22 N LEU A 88 1.171 -15.958 -13.430 1.00 22.23 N ATOM 23 CA LEU A 88 2.062 -17.112 -13.395 1.00 31.24 C ATOM 24 C LEU A 88 3.459 -16.738 -13.880 1.00 71.01 C ATOM 25 O LEU A 88 3.633 -16.291 -15.013 1.00 4.13 O ATOM 26 CB LEU A 88 1.497 -18.245 -14.254 1.00 41.40 C ATOM 27 CG LEU A 88 1.136 -19.533 -13.514 1.00 34.33 C ATOM 28 CD1 LEU A 88 -0.216 -19.395 -12.831 1.00 31.14 C ATOM 29 CD2 LEU A 88 1.133 -20.715 -14.471 1.00 61.34 C ATOM 0 H LEU A 88 1.337 -15.321 -14.209 1.00 22.23 H new ATOM 0 HA LEU A 88 2.136 -17.451 -12.362 1.00 31.24 H new ATOM 0 HB2 LEU A 88 0.604 -17.879 -14.761 1.00 41.40 H new ATOM 0 HB3 LEU A 88 2.227 -18.486 -15.027 1.00 41.40 H new ATOM 0 HG LEU A 88 1.891 -19.713 -12.748 1.00 34.33 H new ATOM 0 HD11 LEU A 88 -0.456 -20.321 -12.309 1.00 31.14 H new ATOM 0 HD12 LEU A 88 -0.180 -18.574 -12.115 1.00 31.14 H new ATOM 0 HD13 LEU A 88 -0.982 -19.190 -13.579 1.00 31.14 H new ATOM 0 HD21 LEU A 88 0.874 -21.623 -13.927 1.00 61.34 H new ATOM 0 HD22 LEU A 88 0.400 -20.543 -15.259 1.00 61.34 H new ATOM 0 HD23 LEU A 88 2.123 -20.827 -14.914 1.00 61.34 H new ATOM 41 N GLY A 89 4.451 -16.926 -13.016 1.00 61.43 N ATOM 42 CA GLY A 89 5.820 -16.606 -13.377 1.00 14.35 C ATOM 43 C GLY A 89 6.040 -15.116 -13.550 1.00 53.04 C ATOM 44 O GLY A 89 6.064 -14.613 -14.674 1.00 41.10 O ATOM 0 H GLY A 89 4.332 -17.294 -12.072 1.00 61.43 H new ATOM 0 HA2 GLY A 89 6.493 -16.983 -12.607 1.00 14.35 H new ATOM 0 HA3 GLY A 89 6.077 -17.118 -14.304 1.00 14.35 H new ATOM 48 N SER A 90 6.197 -14.409 -12.437 1.00 11.32 N ATOM 49 CA SER A 90 6.410 -12.966 -12.471 1.00 71.32 C ATOM 50 C SER A 90 7.014 -12.475 -11.160 1.00 3.55 C ATOM 51 O SER A 90 6.478 -12.731 -10.083 1.00 22.13 O ATOM 52 CB SER A 90 5.089 -12.241 -12.740 1.00 42.41 C ATOM 53 OG SER A 90 5.246 -11.251 -13.742 1.00 61.24 O ATOM 0 H SER A 90 6.181 -14.811 -11.500 1.00 11.32 H new ATOM 0 HA SER A 90 7.109 -12.746 -13.278 1.00 71.32 H new ATOM 0 HB2 SER A 90 4.332 -12.961 -13.051 1.00 42.41 H new ATOM 0 HB3 SER A 90 4.730 -11.779 -11.820 1.00 42.41 H new ATOM 0 HG SER A 90 4.388 -10.803 -13.897 1.00 61.24 H new ATOM 59 N GLU A 91 8.136 -11.768 -11.261 1.00 32.25 N ATOM 60 CA GLU A 91 8.815 -11.241 -10.083 1.00 62.34 C ATOM 61 C GLU A 91 9.020 -9.734 -10.201 1.00 42.22 C ATOM 62 O GLU A 91 9.130 -9.197 -11.302 1.00 11.21 O ATOM 63 CB GLU A 91 10.164 -11.938 -9.891 1.00 45.34 C ATOM 64 CG GLU A 91 10.108 -13.129 -8.950 1.00 74.02 C ATOM 65 CD GLU A 91 10.019 -14.451 -9.687 1.00 62.15 C ATOM 66 OE1 GLU A 91 10.847 -14.681 -10.594 1.00 14.25 O ATOM 67 OE2 GLU A 91 9.122 -15.256 -9.358 1.00 42.34 O ATOM 0 H GLU A 91 8.593 -11.547 -12.146 1.00 32.25 H new ATOM 0 HA GLU A 91 8.186 -11.437 -9.214 1.00 62.34 H new ATOM 0 HB2 GLU A 91 10.533 -12.270 -10.862 1.00 45.34 H new ATOM 0 HB3 GLU A 91 10.884 -11.216 -9.506 1.00 45.34 H new ATOM 0 HG2 GLU A 91 10.995 -13.129 -8.317 1.00 74.02 H new ATOM 0 HG3 GLU A 91 9.246 -13.026 -8.291 1.00 74.02 H new ATOM 74 N ASN A 92 9.071 -9.058 -9.058 1.00 72.45 N ATOM 75 CA ASN A 92 9.261 -7.612 -9.033 1.00 73.32 C ATOM 76 C ASN A 92 8.029 -6.892 -9.574 1.00 4.23 C ATOM 77 O ASN A 92 7.243 -6.329 -8.812 1.00 61.15 O ATOM 78 CB ASN A 92 10.493 -7.225 -9.853 1.00 33.03 C ATOM 79 CG ASN A 92 11.594 -6.630 -8.995 1.00 51.33 C ATOM 80 OD1 ASN A 92 12.640 -7.246 -8.794 1.00 62.20 O ATOM 81 ND2 ASN A 92 11.361 -5.425 -8.487 1.00 20.34 N ATOM 0 H ASN A 92 8.983 -9.488 -8.137 1.00 72.45 H new ATOM 0 HA ASN A 92 9.412 -7.308 -7.997 1.00 73.32 H new ATOM 0 HB2 ASN A 92 10.874 -8.106 -10.369 1.00 33.03 H new ATOM 0 HB3 ASN A 92 10.205 -6.506 -10.620 1.00 33.03 H new ATOM 0 HD21 ASN A 92 12.065 -4.973 -7.903 1.00 20.34 H new ATOM 0 HD22 ASN A 92 10.478 -4.952 -8.681 1.00 20.34 H new ATOM 88 N ARG A 93 7.869 -6.915 -10.892 1.00 50.23 N ATOM 89 CA ARG A 93 6.734 -6.263 -11.536 1.00 63.42 C ATOM 90 C ARG A 93 6.678 -4.784 -11.170 1.00 2.52 C ATOM 91 O ARG A 93 5.599 -4.210 -11.022 1.00 35.30 O ATOM 92 CB ARG A 93 5.429 -6.950 -11.130 1.00 55.45 C ATOM 93 CG ARG A 93 5.386 -8.430 -11.473 1.00 31.42 C ATOM 94 CD ARG A 93 4.113 -9.084 -10.961 1.00 53.01 C ATOM 95 NE ARG A 93 4.333 -9.806 -9.710 1.00 51.23 N ATOM 96 CZ ARG A 93 3.476 -10.690 -9.212 1.00 35.43 C ATOM 97 NH1 ARG A 93 2.348 -10.961 -9.854 1.00 1.33 N ATOM 98 NH2 ARG A 93 3.747 -11.307 -8.069 1.00 5.24 N ATOM 0 H ARG A 93 8.511 -7.378 -11.536 1.00 50.23 H new ATOM 0 HA ARG A 93 6.861 -6.347 -12.615 1.00 63.42 H new ATOM 0 HB2 ARG A 93 5.284 -6.830 -10.056 1.00 55.45 H new ATOM 0 HB3 ARG A 93 4.596 -6.448 -11.622 1.00 55.45 H new ATOM 0 HG2 ARG A 93 5.452 -8.556 -12.554 1.00 31.42 H new ATOM 0 HG3 ARG A 93 6.253 -8.930 -11.040 1.00 31.42 H new ATOM 0 HD2 ARG A 93 3.349 -8.321 -10.810 1.00 53.01 H new ATOM 0 HD3 ARG A 93 3.731 -9.773 -11.715 1.00 53.01 H new ATOM 0 HE ARG A 93 5.191 -9.621 -9.191 1.00 51.23 H new ATOM 0 HH11 ARG A 93 2.136 -10.490 -10.734 1.00 1.33 H new ATOM 0 HH12 ARG A 93 1.692 -11.641 -9.468 1.00 1.33 H new ATOM 0 HH21 ARG A 93 4.614 -11.102 -7.572 1.00 5.24 H new ATOM 0 HH22 ARG A 93 3.088 -11.986 -7.687 1.00 5.24 H new ATOM 112 N SER A 94 7.848 -4.170 -11.026 1.00 44.43 N ATOM 113 CA SER A 94 7.933 -2.758 -10.674 1.00 4.42 C ATOM 114 C SER A 94 9.388 -2.302 -10.603 1.00 14.41 C ATOM 115 O SER A 94 10.231 -2.968 -10.002 1.00 0.22 O ATOM 116 CB SER A 94 7.240 -2.502 -9.334 1.00 2.23 C ATOM 117 OG SER A 94 7.641 -1.259 -8.781 1.00 74.41 O ATOM 0 H SER A 94 8.751 -4.629 -11.148 1.00 44.43 H new ATOM 0 HA SER A 94 7.428 -2.184 -11.451 1.00 4.42 H new ATOM 0 HB2 SER A 94 6.159 -2.510 -9.473 1.00 2.23 H new ATOM 0 HB3 SER A 94 7.478 -3.307 -8.638 1.00 2.23 H new ATOM 0 HG SER A 94 6.973 -0.575 -8.995 1.00 74.41 H new ATOM 123 N LYS A 95 9.673 -1.161 -11.221 1.00 11.23 N ATOM 124 CA LYS A 95 11.024 -0.612 -11.228 1.00 51.02 C ATOM 125 C LYS A 95 11.421 -0.125 -9.838 1.00 64.42 C ATOM 126 O LYS A 95 12.242 -0.747 -9.162 1.00 54.32 O ATOM 127 CB LYS A 95 11.124 0.539 -12.231 1.00 13.31 C ATOM 128 CG LYS A 95 11.989 0.223 -13.438 1.00 61.54 C ATOM 129 CD LYS A 95 13.203 1.133 -13.510 1.00 2.41 C ATOM 130 CE LYS A 95 14.443 0.375 -13.957 1.00 51.42 C ATOM 131 NZ LYS A 95 15.654 1.242 -13.952 1.00 70.23 N ATOM 0 H LYS A 95 8.987 -0.598 -11.724 1.00 11.23 H new ATOM 0 HA LYS A 95 11.710 -1.405 -11.525 1.00 51.02 H new ATOM 0 HB2 LYS A 95 10.122 0.801 -12.572 1.00 13.31 H new ATOM 0 HB3 LYS A 95 11.528 1.416 -11.725 1.00 13.31 H new ATOM 0 HG2 LYS A 95 12.315 -0.816 -13.391 1.00 61.54 H new ATOM 0 HG3 LYS A 95 11.398 0.331 -14.348 1.00 61.54 H new ATOM 0 HD2 LYS A 95 13.005 1.950 -14.204 1.00 2.41 H new ATOM 0 HD3 LYS A 95 13.382 1.581 -12.532 1.00 2.41 H new ATOM 0 HE2 LYS A 95 14.604 -0.478 -13.298 1.00 51.42 H new ATOM 0 HE3 LYS A 95 14.284 -0.022 -14.960 1.00 51.42 H new ATOM 0 HZ1 LYS A 95 16.478 0.689 -14.263 1.00 70.23 H new ATOM 0 HZ2 LYS A 95 15.510 2.043 -14.600 1.00 70.23 H new ATOM 0 HZ3 LYS A 95 15.820 1.600 -12.990 1.00 70.23 H new ATOM 145 N THR A 96 10.834 0.990 -9.416 1.00 53.32 N ATOM 146 CA THR A 96 11.126 1.559 -8.107 1.00 1.34 C ATOM 147 C THR A 96 9.930 2.332 -7.564 1.00 24.25 C ATOM 148 O THR A 96 10.080 3.221 -6.725 1.00 70.11 O ATOM 149 CB THR A 96 12.346 2.498 -8.163 1.00 25.24 C ATOM 150 OG1 THR A 96 12.987 2.394 -9.439 1.00 3.42 O ATOM 151 CG2 THR A 96 13.340 2.160 -7.062 1.00 22.00 C ATOM 0 H THR A 96 10.153 1.517 -9.962 1.00 53.32 H new ATOM 0 HA THR A 96 11.348 0.724 -7.442 1.00 1.34 H new ATOM 0 HB THR A 96 11.997 3.520 -8.015 1.00 25.24 H new ATOM 0 HG1 THR A 96 13.760 2.995 -9.467 1.00 3.42 H new ATOM 0 HG21 THR A 96 14.193 2.836 -7.122 1.00 22.00 H new ATOM 0 HG22 THR A 96 12.858 2.269 -6.091 1.00 22.00 H new ATOM 0 HG23 THR A 96 13.682 1.132 -7.184 1.00 22.00 H new ATOM 159 N THR A 97 8.740 1.987 -8.046 1.00 4.13 N ATOM 160 CA THR A 97 7.517 2.649 -7.609 1.00 21.52 C ATOM 161 C THR A 97 6.294 1.784 -7.892 1.00 11.53 C ATOM 162 O THR A 97 6.096 1.321 -9.015 1.00 31.11 O ATOM 163 CB THR A 97 7.339 4.013 -8.299 1.00 41.44 C ATOM 164 OG1 THR A 97 7.861 3.960 -9.632 1.00 32.01 O ATOM 165 CG2 THR A 97 8.043 5.112 -7.517 1.00 20.42 C ATOM 0 H THR A 97 8.597 1.253 -8.739 1.00 4.13 H new ATOM 0 HA THR A 97 7.608 2.805 -6.534 1.00 21.52 H new ATOM 0 HB THR A 97 6.274 4.240 -8.335 1.00 41.44 H new ATOM 0 HG1 THR A 97 7.742 4.831 -10.065 1.00 32.01 H new ATOM 0 HG21 THR A 97 7.903 6.066 -8.024 1.00 20.42 H new ATOM 0 HG22 THR A 97 7.623 5.170 -6.513 1.00 20.42 H new ATOM 0 HG23 THR A 97 9.108 4.888 -7.453 1.00 20.42 H new ATOM 173 N SER A 98 5.475 1.571 -6.867 1.00 14.52 N ATOM 174 CA SER A 98 4.271 0.760 -7.006 1.00 23.03 C ATOM 175 C SER A 98 3.023 1.638 -7.018 1.00 32.43 C ATOM 176 O SER A 98 3.019 2.740 -6.468 1.00 74.54 O ATOM 177 CB SER A 98 4.182 -0.257 -5.867 1.00 55.41 C ATOM 178 OG SER A 98 4.828 -1.469 -6.214 1.00 63.01 O ATOM 0 H SER A 98 5.623 1.949 -5.931 1.00 14.52 H new ATOM 0 HA SER A 98 4.329 0.228 -7.955 1.00 23.03 H new ATOM 0 HB2 SER A 98 4.639 0.158 -4.968 1.00 55.41 H new ATOM 0 HB3 SER A 98 3.136 -0.453 -5.631 1.00 55.41 H new ATOM 0 HG SER A 98 4.766 -1.607 -7.182 1.00 63.01 H new ATOM 184 N THR A 99 1.963 1.141 -7.649 1.00 3.12 N ATOM 185 CA THR A 99 0.709 1.878 -7.735 1.00 24.13 C ATOM 186 C THR A 99 -0.488 0.945 -7.595 1.00 12.15 C ATOM 187 O THR A 99 -0.429 -0.218 -7.993 1.00 74.04 O ATOM 188 CB THR A 99 0.596 2.642 -9.067 1.00 44.43 C ATOM 189 OG1 THR A 99 1.768 3.440 -9.276 1.00 24.34 O ATOM 190 CG2 THR A 99 -0.637 3.532 -9.078 1.00 43.34 C ATOM 0 H THR A 99 1.949 0.230 -8.108 1.00 3.12 H new ATOM 0 HA THR A 99 0.707 2.594 -6.913 1.00 24.13 H new ATOM 0 HB THR A 99 0.505 1.912 -9.872 1.00 44.43 H new ATOM 0 HG1 THR A 99 1.689 3.921 -10.126 1.00 24.34 H new ATOM 0 HG21 THR A 99 -0.695 4.061 -10.029 1.00 43.34 H new ATOM 0 HG22 THR A 99 -1.529 2.919 -8.949 1.00 43.34 H new ATOM 0 HG23 THR A 99 -0.572 4.254 -8.264 1.00 43.34 H new ATOM 198 N TRP A 100 -1.571 1.462 -7.026 1.00 73.41 N ATOM 199 CA TRP A 100 -2.783 0.673 -6.835 1.00 31.04 C ATOM 200 C TRP A 100 -4.027 1.540 -6.995 1.00 70.10 C ATOM 201 O TRP A 100 -4.194 2.539 -6.297 1.00 21.04 O ATOM 202 CB TRP A 100 -2.777 0.019 -5.452 1.00 70.23 C ATOM 203 CG TRP A 100 -1.561 -0.819 -5.196 1.00 13.32 C ATOM 204 CD1 TRP A 100 -1.305 -2.064 -5.692 1.00 64.52 C ATOM 205 CD2 TRP A 100 -0.437 -0.470 -4.380 1.00 44.44 C ATOM 206 NE1 TRP A 100 -0.089 -2.513 -5.234 1.00 12.42 N ATOM 207 CE2 TRP A 100 0.464 -1.552 -4.429 1.00 33.42 C ATOM 208 CE3 TRP A 100 -0.102 0.651 -3.617 1.00 64.23 C ATOM 209 CZ2 TRP A 100 1.675 -1.545 -3.741 1.00 54.51 C ATOM 210 CZ3 TRP A 100 1.100 0.657 -2.934 1.00 41.33 C ATOM 211 CH2 TRP A 100 1.977 -0.433 -3.001 1.00 32.32 C ATOM 0 H TRP A 100 -1.635 2.423 -6.689 1.00 73.41 H new ATOM 0 HA TRP A 100 -2.805 -0.105 -7.598 1.00 31.04 H new ATOM 0 HB2 TRP A 100 -2.841 0.796 -4.690 1.00 70.23 H new ATOM 0 HB3 TRP A 100 -3.666 -0.603 -5.348 1.00 70.23 H new ATOM 0 HD1 TRP A 100 -1.962 -2.616 -6.348 1.00 64.52 H new ATOM 0 HE1 TRP A 100 0.333 -3.415 -5.457 1.00 12.42 H new ATOM 0 HE3 TRP A 100 -0.770 1.498 -3.562 1.00 64.23 H new ATOM 0 HZ2 TRP A 100 2.351 -2.386 -3.789 1.00 54.51 H new ATOM 0 HZ3 TRP A 100 1.367 1.517 -2.338 1.00 41.33 H new ATOM 0 HH2 TRP A 100 2.910 -0.396 -2.458 1.00 32.32 H new ATOM 222 N VAL A 101 -4.899 1.150 -7.919 1.00 52.15 N ATOM 223 CA VAL A 101 -6.129 1.892 -8.171 1.00 71.24 C ATOM 224 C VAL A 101 -7.332 1.186 -7.553 1.00 63.12 C ATOM 225 O VAL A 101 -7.694 0.081 -7.959 1.00 40.42 O ATOM 226 CB VAL A 101 -6.376 2.075 -9.680 1.00 64.43 C ATOM 227 CG1 VAL A 101 -7.533 3.032 -9.920 1.00 35.23 C ATOM 228 CG2 VAL A 101 -5.113 2.569 -10.370 1.00 35.34 C ATOM 0 H VAL A 101 -4.777 0.325 -8.506 1.00 52.15 H new ATOM 0 HA VAL A 101 -6.008 2.872 -7.709 1.00 71.24 H new ATOM 0 HB VAL A 101 -6.642 1.108 -10.107 1.00 64.43 H new ATOM 0 HG11 VAL A 101 -7.692 3.149 -10.992 1.00 35.23 H new ATOM 0 HG12 VAL A 101 -8.437 2.633 -9.460 1.00 35.23 H new ATOM 0 HG13 VAL A 101 -7.300 4.002 -9.480 1.00 35.23 H new ATOM 0 HG21 VAL A 101 -5.305 2.693 -11.436 1.00 35.34 H new ATOM 0 HG22 VAL A 101 -4.815 3.526 -9.941 1.00 35.34 H new ATOM 0 HG23 VAL A 101 -4.313 1.843 -10.228 1.00 35.34 H new ATOM 238 N LEU A 102 -7.947 1.832 -6.568 1.00 73.24 N ATOM 239 CA LEU A 102 -9.111 1.267 -5.894 1.00 1.21 C ATOM 240 C LEU A 102 -10.132 2.353 -5.569 1.00 51.11 C ATOM 241 O LEU A 102 -9.769 3.494 -5.282 1.00 75.05 O ATOM 242 CB LEU A 102 -8.684 0.553 -4.610 1.00 41.34 C ATOM 243 CG LEU A 102 -8.212 1.452 -3.466 1.00 52.44 C ATOM 244 CD1 LEU A 102 -8.822 1.002 -2.148 1.00 62.11 C ATOM 245 CD2 LEU A 102 -6.693 1.454 -3.381 1.00 2.22 C ATOM 0 H LEU A 102 -7.659 2.746 -6.219 1.00 73.24 H new ATOM 0 HA LEU A 102 -9.576 0.546 -6.567 1.00 1.21 H new ATOM 0 HB2 LEU A 102 -9.524 -0.044 -4.254 1.00 41.34 H new ATOM 0 HB3 LEU A 102 -7.880 -0.142 -4.855 1.00 41.34 H new ATOM 0 HG LEU A 102 -8.545 2.470 -3.668 1.00 52.44 H new ATOM 0 HD11 LEU A 102 -8.475 1.653 -1.345 1.00 62.11 H new ATOM 0 HD12 LEU A 102 -9.909 1.054 -2.213 1.00 62.11 H new ATOM 0 HD13 LEU A 102 -8.520 -0.024 -1.939 1.00 62.11 H new ATOM 0 HD21 LEU A 102 -6.375 2.099 -2.562 1.00 2.22 H new ATOM 0 HD22 LEU A 102 -6.337 0.439 -3.203 1.00 2.22 H new ATOM 0 HD23 LEU A 102 -6.277 1.825 -4.317 1.00 2.22 H new ATOM 257 N ARG A 103 -11.409 1.989 -5.614 1.00 73.54 N ATOM 258 CA ARG A 103 -12.483 2.931 -5.324 1.00 40.44 C ATOM 259 C ARG A 103 -12.573 3.209 -3.826 1.00 2.00 C ATOM 260 O ARG A 103 -13.255 2.494 -3.091 1.00 64.25 O ATOM 261 CB ARG A 103 -13.820 2.387 -5.834 1.00 3.31 C ATOM 262 CG ARG A 103 -13.839 2.127 -7.331 1.00 55.44 C ATOM 263 CD ARG A 103 -15.163 1.522 -7.774 1.00 21.12 C ATOM 264 NE ARG A 103 -14.974 0.419 -8.711 1.00 24.44 N ATOM 265 CZ ARG A 103 -14.547 -0.786 -8.350 1.00 64.12 C ATOM 266 NH1 ARG A 103 -14.267 -1.042 -7.080 1.00 42.41 N ATOM 267 NH2 ARG A 103 -14.400 -1.740 -9.262 1.00 41.21 N ATOM 0 H ARG A 103 -11.725 1.048 -5.849 1.00 73.54 H new ATOM 0 HA ARG A 103 -12.260 3.866 -5.837 1.00 40.44 H new ATOM 0 HB2 ARG A 103 -14.049 1.459 -5.310 1.00 3.31 H new ATOM 0 HB3 ARG A 103 -14.610 3.097 -5.587 1.00 3.31 H new ATOM 0 HG2 ARG A 103 -13.667 3.061 -7.866 1.00 55.44 H new ATOM 0 HG3 ARG A 103 -13.023 1.454 -7.595 1.00 55.44 H new ATOM 0 HD2 ARG A 103 -15.709 1.166 -6.900 1.00 21.12 H new ATOM 0 HD3 ARG A 103 -15.776 2.293 -8.241 1.00 21.12 H new ATOM 0 HE ARG A 103 -15.181 0.582 -9.696 1.00 24.44 H new ATOM 0 HH11 ARG A 103 -14.379 -0.313 -6.376 1.00 42.41 H new ATOM 0 HH12 ARG A 103 -13.939 -1.968 -6.807 1.00 42.41 H new ATOM 0 HH21 ARG A 103 -14.615 -1.548 -10.240 1.00 41.21 H new ATOM 0 HH22 ARG A 103 -14.072 -2.665 -8.984 1.00 41.21 H new ATOM 281 N LEU A 104 -11.880 4.251 -3.380 1.00 73.04 N ATOM 282 CA LEU A 104 -11.881 4.623 -1.971 1.00 14.34 C ATOM 283 C LEU A 104 -12.350 6.063 -1.788 1.00 14.24 C ATOM 284 O LEU A 104 -12.213 6.891 -2.688 1.00 50.30 O ATOM 285 CB LEU A 104 -10.482 4.452 -1.376 1.00 63.22 C ATOM 286 CG LEU A 104 -10.423 4.014 0.087 1.00 30.24 C ATOM 287 CD1 LEU A 104 -9.325 2.982 0.291 1.00 22.53 C ATOM 288 CD2 LEU A 104 -10.203 5.214 0.995 1.00 15.33 C ATOM 0 H LEU A 104 -11.310 4.853 -3.975 1.00 73.04 H new ATOM 0 HA LEU A 104 -12.575 3.964 -1.448 1.00 14.34 H new ATOM 0 HB2 LEU A 104 -9.941 3.720 -1.976 1.00 63.22 H new ATOM 0 HB3 LEU A 104 -9.950 5.398 -1.473 1.00 63.22 H new ATOM 0 HG LEU A 104 -11.377 3.556 0.348 1.00 30.24 H new ATOM 0 HD11 LEU A 104 -9.298 2.682 1.339 1.00 22.53 H new ATOM 0 HD12 LEU A 104 -9.525 2.110 -0.331 1.00 22.53 H new ATOM 0 HD13 LEU A 104 -8.364 3.414 0.012 1.00 22.53 H new ATOM 0 HD21 LEU A 104 -10.164 4.883 2.033 1.00 15.33 H new ATOM 0 HD22 LEU A 104 -9.263 5.701 0.734 1.00 15.33 H new ATOM 0 HD23 LEU A 104 -11.024 5.920 0.870 1.00 15.33 H new ATOM 300 N ASP A 105 -12.904 6.355 -0.615 1.00 43.23 N ATOM 301 CA ASP A 105 -13.391 7.696 -0.313 1.00 4.31 C ATOM 302 C ASP A 105 -14.565 8.064 -1.215 1.00 1.34 C ATOM 303 O ASP A 105 -14.949 9.230 -1.307 1.00 21.54 O ATOM 304 CB ASP A 105 -12.265 8.719 -0.477 1.00 14.40 C ATOM 305 CG ASP A 105 -12.429 9.911 0.446 1.00 24.24 C ATOM 306 OD1 ASP A 105 -13.236 10.806 0.122 1.00 40.45 O ATOM 307 OD2 ASP A 105 -11.747 9.949 1.493 1.00 41.31 O ATOM 0 H ASP A 105 -13.027 5.681 0.141 1.00 43.23 H new ATOM 0 HA ASP A 105 -13.734 7.707 0.722 1.00 4.31 H new ATOM 0 HB2 ASP A 105 -11.308 8.237 -0.277 1.00 14.40 H new ATOM 0 HB3 ASP A 105 -12.239 9.064 -1.511 1.00 14.40 H new ATOM 312 N GLY A 106 -15.132 7.062 -1.879 1.00 21.03 N ATOM 313 CA GLY A 106 -16.255 7.300 -2.765 1.00 51.13 C ATOM 314 C GLY A 106 -15.819 7.612 -4.184 1.00 31.54 C ATOM 315 O GLY A 106 -16.653 7.839 -5.060 1.00 3.12 O ATOM 0 H GLY A 106 -14.833 6.089 -1.819 1.00 21.03 H new ATOM 0 HA2 GLY A 106 -16.901 6.422 -2.772 1.00 51.13 H new ATOM 0 HA3 GLY A 106 -16.848 8.129 -2.380 1.00 51.13 H new ATOM 319 N GLU A 107 -14.509 7.623 -4.409 1.00 74.34 N ATOM 320 CA GLU A 107 -13.965 7.912 -5.731 1.00 72.44 C ATOM 321 C GLU A 107 -12.779 7.002 -6.041 1.00 35.20 C ATOM 322 O GLU A 107 -12.316 6.253 -5.181 1.00 12.33 O ATOM 323 CB GLU A 107 -13.536 9.377 -5.821 1.00 45.04 C ATOM 324 CG GLU A 107 -14.670 10.323 -6.175 1.00 54.34 C ATOM 325 CD GLU A 107 -14.194 11.743 -6.414 1.00 22.42 C ATOM 326 OE1 GLU A 107 -13.777 12.400 -5.438 1.00 13.22 O ATOM 327 OE2 GLU A 107 -14.238 12.196 -7.576 1.00 41.34 O ATOM 0 H GLU A 107 -13.806 7.436 -3.694 1.00 74.34 H new ATOM 0 HA GLU A 107 -14.747 7.725 -6.467 1.00 72.44 H new ATOM 0 HB2 GLU A 107 -13.106 9.680 -4.866 1.00 45.04 H new ATOM 0 HB3 GLU A 107 -12.749 9.471 -6.569 1.00 45.04 H new ATOM 0 HG2 GLU A 107 -15.176 9.958 -7.069 1.00 54.34 H new ATOM 0 HG3 GLU A 107 -15.404 10.321 -5.370 1.00 54.34 H new ATOM 334 N ASP A 108 -12.294 7.074 -7.275 1.00 72.24 N ATOM 335 CA ASP A 108 -11.162 6.259 -7.701 1.00 23.44 C ATOM 336 C ASP A 108 -9.879 6.704 -7.005 1.00 53.42 C ATOM 337 O ASP A 108 -9.140 7.545 -7.521 1.00 61.54 O ATOM 338 CB ASP A 108 -10.989 6.340 -9.218 1.00 43.13 C ATOM 339 CG ASP A 108 -11.942 5.423 -9.959 1.00 42.31 C ATOM 340 OD1 ASP A 108 -13.149 5.740 -10.011 1.00 74.21 O ATOM 341 OD2 ASP A 108 -11.480 4.391 -10.489 1.00 15.11 O ATOM 0 H ASP A 108 -12.667 7.689 -7.999 1.00 72.24 H new ATOM 0 HA ASP A 108 -11.365 5.225 -7.422 1.00 23.44 H new ATOM 0 HB2 ASP A 108 -11.150 7.367 -9.545 1.00 43.13 H new ATOM 0 HB3 ASP A 108 -9.963 6.080 -9.478 1.00 43.13 H new ATOM 346 N LEU A 109 -9.621 6.139 -5.831 1.00 74.34 N ATOM 347 CA LEU A 109 -8.429 6.479 -5.064 1.00 71.51 C ATOM 348 C LEU A 109 -7.181 5.875 -5.701 1.00 24.13 C ATOM 349 O LEU A 109 -7.108 4.667 -5.922 1.00 61.53 O ATOM 350 CB LEU A 109 -8.569 5.987 -3.622 1.00 64.55 C ATOM 351 CG LEU A 109 -7.753 6.743 -2.573 1.00 22.51 C ATOM 352 CD1 LEU A 109 -8.660 7.615 -1.719 1.00 23.35 C ATOM 353 CD2 LEU A 109 -6.972 5.769 -1.702 1.00 15.44 C ATOM 0 H LEU A 109 -10.222 5.443 -5.390 1.00 74.34 H new ATOM 0 HA LEU A 109 -8.325 7.564 -5.063 1.00 71.51 H new ATOM 0 HB2 LEU A 109 -9.621 6.039 -3.342 1.00 64.55 H new ATOM 0 HB3 LEU A 109 -8.282 4.936 -3.588 1.00 64.55 H new ATOM 0 HG LEU A 109 -7.042 7.389 -3.089 1.00 22.51 H new ATOM 0 HD11 LEU A 109 -8.062 8.146 -0.978 1.00 23.35 H new ATOM 0 HD12 LEU A 109 -9.175 8.336 -2.354 1.00 23.35 H new ATOM 0 HD13 LEU A 109 -9.394 6.989 -1.212 1.00 23.35 H new ATOM 0 HD21 LEU A 109 -6.397 6.324 -0.961 1.00 15.44 H new ATOM 0 HD22 LEU A 109 -7.665 5.098 -1.195 1.00 15.44 H new ATOM 0 HD23 LEU A 109 -6.294 5.187 -2.326 1.00 15.44 H new ATOM 365 N ARG A 110 -6.202 6.725 -5.992 1.00 1.34 N ATOM 366 CA ARG A 110 -4.957 6.275 -6.602 1.00 44.40 C ATOM 367 C ARG A 110 -3.842 6.188 -5.563 1.00 43.10 C ATOM 368 O ARG A 110 -3.359 7.207 -5.069 1.00 11.23 O ATOM 369 CB ARG A 110 -4.544 7.224 -7.729 1.00 52.54 C ATOM 370 CG ARG A 110 -3.836 6.531 -8.881 1.00 73.12 C ATOM 371 CD ARG A 110 -3.896 7.362 -10.154 1.00 33.14 C ATOM 372 NE ARG A 110 -4.371 6.582 -11.294 1.00 3.22 N ATOM 373 CZ ARG A 110 -4.470 7.069 -12.526 1.00 14.40 C ATOM 374 NH1 ARG A 110 -4.129 8.326 -12.776 1.00 35.11 N ATOM 375 NH2 ARG A 110 -4.910 6.298 -13.512 1.00 51.15 N ATOM 0 H ARG A 110 -6.247 7.729 -5.815 1.00 1.34 H new ATOM 0 HA ARG A 110 -5.124 5.280 -7.016 1.00 44.40 H new ATOM 0 HB2 ARG A 110 -5.431 7.729 -8.110 1.00 52.54 H new ATOM 0 HB3 ARG A 110 -3.889 7.994 -7.322 1.00 52.54 H new ATOM 0 HG2 ARG A 110 -2.795 6.349 -8.613 1.00 73.12 H new ATOM 0 HG3 ARG A 110 -4.294 5.558 -9.059 1.00 73.12 H new ATOM 0 HD2 ARG A 110 -4.555 8.216 -9.999 1.00 33.14 H new ATOM 0 HD3 ARG A 110 -2.905 7.760 -10.374 1.00 33.14 H new ATOM 0 HE ARG A 110 -4.641 5.611 -11.136 1.00 3.22 H new ATOM 0 HH11 ARG A 110 -3.789 8.922 -12.021 1.00 35.11 H new ATOM 0 HH12 ARG A 110 -4.206 8.697 -13.723 1.00 35.11 H new ATOM 0 HH21 ARG A 110 -5.173 5.330 -13.324 1.00 51.15 H new ATOM 0 HH22 ARG A 110 -4.986 6.673 -14.458 1.00 51.15 H new ATOM 389 N VAL A 111 -3.438 4.965 -5.237 1.00 31.13 N ATOM 390 CA VAL A 111 -2.381 4.744 -4.258 1.00 44.10 C ATOM 391 C VAL A 111 -1.028 4.576 -4.940 1.00 24.44 C ATOM 392 O VAL A 111 -0.911 3.883 -5.950 1.00 53.23 O ATOM 393 CB VAL A 111 -2.667 3.502 -3.394 1.00 65.33 C ATOM 394 CG1 VAL A 111 -1.882 3.564 -2.092 1.00 40.24 C ATOM 395 CG2 VAL A 111 -4.158 3.373 -3.123 1.00 21.34 C ATOM 0 H VAL A 111 -3.827 4.111 -5.637 1.00 31.13 H new ATOM 0 HA VAL A 111 -2.354 5.624 -3.616 1.00 44.10 H new ATOM 0 HB VAL A 111 -2.344 2.617 -3.942 1.00 65.33 H new ATOM 0 HG11 VAL A 111 -2.097 2.678 -1.495 1.00 40.24 H new ATOM 0 HG12 VAL A 111 -0.815 3.603 -2.312 1.00 40.24 H new ATOM 0 HG13 VAL A 111 -2.171 4.456 -1.535 1.00 40.24 H new ATOM 0 HG21 VAL A 111 -4.342 2.490 -2.511 1.00 21.34 H new ATOM 0 HG22 VAL A 111 -4.510 4.260 -2.595 1.00 21.34 H new ATOM 0 HG23 VAL A 111 -4.693 3.277 -4.068 1.00 21.34 H new ATOM 405 N VAL A 112 -0.005 5.215 -4.379 1.00 14.34 N ATOM 406 CA VAL A 112 1.341 5.135 -4.931 1.00 43.40 C ATOM 407 C VAL A 112 2.377 4.939 -3.828 1.00 51.54 C ATOM 408 O VAL A 112 2.404 5.684 -2.848 1.00 44.21 O ATOM 409 CB VAL A 112 1.696 6.402 -5.732 1.00 54.42 C ATOM 410 CG1 VAL A 112 3.143 6.353 -6.196 1.00 44.41 C ATOM 411 CG2 VAL A 112 0.753 6.564 -6.915 1.00 75.00 C ATOM 0 H VAL A 112 -0.084 5.793 -3.543 1.00 14.34 H new ATOM 0 HA VAL A 112 1.358 4.274 -5.600 1.00 43.40 H new ATOM 0 HB VAL A 112 1.579 7.268 -5.081 1.00 54.42 H new ATOM 0 HG11 VAL A 112 3.375 7.256 -6.760 1.00 44.41 H new ATOM 0 HG12 VAL A 112 3.801 6.287 -5.329 1.00 44.41 H new ATOM 0 HG13 VAL A 112 3.292 5.480 -6.832 1.00 44.41 H new ATOM 0 HG21 VAL A 112 1.017 7.464 -7.470 1.00 75.00 H new ATOM 0 HG22 VAL A 112 0.837 5.696 -7.569 1.00 75.00 H new ATOM 0 HG23 VAL A 112 -0.272 6.648 -6.554 1.00 75.00 H new ATOM 421 N LEU A 113 3.227 3.933 -3.996 1.00 34.11 N ATOM 422 CA LEU A 113 4.266 3.638 -3.015 1.00 43.23 C ATOM 423 C LEU A 113 5.647 3.972 -3.569 1.00 24.34 C ATOM 424 O LEU A 113 6.207 3.218 -4.364 1.00 35.52 O ATOM 425 CB LEU A 113 4.209 2.163 -2.610 1.00 45.50 C ATOM 426 CG LEU A 113 5.347 1.669 -1.716 1.00 71.54 C ATOM 427 CD1 LEU A 113 5.694 2.713 -0.667 1.00 43.33 C ATOM 428 CD2 LEU A 113 4.971 0.351 -1.055 1.00 70.31 C ATOM 0 H LEU A 113 3.218 3.308 -4.802 1.00 34.11 H new ATOM 0 HA LEU A 113 4.088 4.257 -2.136 1.00 43.23 H new ATOM 0 HB2 LEU A 113 3.265 1.984 -2.095 1.00 45.50 H new ATOM 0 HB3 LEU A 113 4.197 1.558 -3.517 1.00 45.50 H new ATOM 0 HG LEU A 113 6.226 1.503 -2.338 1.00 71.54 H new ATOM 0 HD11 LEU A 113 6.506 2.343 -0.040 1.00 43.33 H new ATOM 0 HD12 LEU A 113 6.006 3.634 -1.160 1.00 43.33 H new ATOM 0 HD13 LEU A 113 4.819 2.911 -0.048 1.00 43.33 H new ATOM 0 HD21 LEU A 113 5.792 0.014 -0.422 1.00 70.31 H new ATOM 0 HD22 LEU A 113 4.078 0.491 -0.446 1.00 70.31 H new ATOM 0 HD23 LEU A 113 4.773 -0.397 -1.822 1.00 70.31 H new ATOM 440 N GLU A 114 6.193 5.107 -3.141 1.00 35.54 N ATOM 441 CA GLU A 114 7.509 5.539 -3.592 1.00 41.21 C ATOM 442 C GLU A 114 8.612 4.786 -2.854 1.00 11.34 C ATOM 443 O GLU A 114 8.550 4.607 -1.637 1.00 64.24 O ATOM 444 CB GLU A 114 7.675 7.046 -3.382 1.00 44.11 C ATOM 445 CG GLU A 114 7.920 7.817 -4.668 1.00 51.14 C ATOM 446 CD GLU A 114 6.883 8.897 -4.906 1.00 54.13 C ATOM 447 OE1 GLU A 114 6.996 9.974 -4.287 1.00 12.52 O ATOM 448 OE2 GLU A 114 5.957 8.663 -5.713 1.00 2.53 O ATOM 0 H GLU A 114 5.743 5.743 -2.483 1.00 35.54 H new ATOM 0 HA GLU A 114 7.591 5.317 -4.656 1.00 41.21 H new ATOM 0 HB2 GLU A 114 6.780 7.438 -2.899 1.00 44.11 H new ATOM 0 HB3 GLU A 114 8.507 7.220 -2.700 1.00 44.11 H new ATOM 0 HG2 GLU A 114 8.910 8.271 -4.632 1.00 51.14 H new ATOM 0 HG3 GLU A 114 7.917 7.124 -5.509 1.00 51.14 H new ATOM 455 N LYS A 115 9.621 4.348 -3.599 1.00 63.12 N ATOM 456 CA LYS A 115 10.740 3.614 -3.018 1.00 14.34 C ATOM 457 C LYS A 115 11.655 4.550 -2.233 1.00 52.24 C ATOM 458 O LYS A 115 12.463 4.104 -1.419 1.00 72.22 O ATOM 459 CB LYS A 115 11.537 2.905 -4.115 1.00 33.30 C ATOM 460 CG LYS A 115 10.962 1.556 -4.509 1.00 15.21 C ATOM 461 CD LYS A 115 11.157 0.524 -3.412 1.00 23.01 C ATOM 462 CE LYS A 115 12.630 0.212 -3.197 1.00 73.42 C ATOM 463 NZ LYS A 115 12.824 -1.074 -2.471 1.00 73.33 N ATOM 0 H LYS A 115 9.687 4.488 -4.607 1.00 63.12 H new ATOM 0 HA LYS A 115 10.337 2.869 -2.332 1.00 14.34 H new ATOM 0 HB2 LYS A 115 11.575 3.545 -4.996 1.00 33.30 H new ATOM 0 HB3 LYS A 115 12.564 2.768 -3.776 1.00 33.30 H new ATOM 0 HG2 LYS A 115 9.899 1.662 -4.725 1.00 15.21 H new ATOM 0 HG3 LYS A 115 11.440 1.209 -5.425 1.00 15.21 H new ATOM 0 HD2 LYS A 115 10.722 0.892 -2.483 1.00 23.01 H new ATOM 0 HD3 LYS A 115 10.624 -0.391 -3.672 1.00 23.01 H new ATOM 0 HE2 LYS A 115 13.136 0.165 -4.161 1.00 73.42 H new ATOM 0 HE3 LYS A 115 13.094 1.021 -2.633 1.00 73.42 H new ATOM 0 HZ1 LYS A 115 13.841 -1.251 -2.344 1.00 73.33 H new ATOM 0 HZ2 LYS A 115 12.363 -1.020 -1.540 1.00 73.33 H new ATOM 0 HZ3 LYS A 115 12.404 -1.850 -3.021 1.00 73.33 H new ATOM 477 N ASP A 116 11.521 5.848 -2.484 1.00 30.11 N ATOM 478 CA ASP A 116 12.334 6.846 -1.800 1.00 10.14 C ATOM 479 C ASP A 116 12.277 6.650 -0.288 1.00 61.10 C ATOM 480 O ASP A 116 13.309 6.535 0.374 1.00 63.11 O ATOM 481 CB ASP A 116 11.862 8.255 -2.162 1.00 42.02 C ATOM 482 CG ASP A 116 13.014 9.228 -2.326 1.00 20.53 C ATOM 483 OD1 ASP A 116 13.629 9.597 -1.303 1.00 31.13 O ATOM 484 OD2 ASP A 116 13.300 9.618 -3.477 1.00 30.15 O ATOM 0 H ASP A 116 10.857 6.233 -3.156 1.00 30.11 H new ATOM 0 HA ASP A 116 13.367 6.722 -2.126 1.00 10.14 H new ATOM 0 HB2 ASP A 116 11.289 8.216 -3.088 1.00 42.02 H new ATOM 0 HB3 ASP A 116 11.190 8.620 -1.386 1.00 42.02 H new ATOM 489 N THR A 117 11.063 6.613 0.254 1.00 63.21 N ATOM 490 CA THR A 117 10.871 6.434 1.687 1.00 63.22 C ATOM 491 C THR A 117 9.778 5.409 1.971 1.00 4.22 C ATOM 492 O THR A 117 9.253 5.340 3.082 1.00 42.41 O ATOM 493 CB THR A 117 10.506 7.762 2.376 1.00 12.22 C ATOM 494 OG1 THR A 117 10.398 8.806 1.401 1.00 63.40 O ATOM 495 CG2 THR A 117 11.550 8.138 3.416 1.00 64.22 C ATOM 0 H THR A 117 10.198 6.705 -0.279 1.00 63.21 H new ATOM 0 HA THR A 117 11.817 6.073 2.090 1.00 63.22 H new ATOM 0 HB THR A 117 9.547 7.634 2.878 1.00 12.22 H new ATOM 0 HG1 THR A 117 10.164 9.647 1.847 1.00 63.40 H new ATOM 0 HG21 THR A 117 11.270 9.079 3.889 1.00 64.22 H new ATOM 0 HG22 THR A 117 11.608 7.355 4.172 1.00 64.22 H new ATOM 0 HG23 THR A 117 12.521 8.249 2.933 1.00 64.22 H new ATOM 503 N MET A 118 9.442 4.615 0.960 1.00 34.13 N ATOM 504 CA MET A 118 8.412 3.592 1.104 1.00 54.10 C ATOM 505 C MET A 118 7.115 4.197 1.633 1.00 41.42 C ATOM 506 O MET A 118 6.329 3.520 2.296 1.00 31.11 O ATOM 507 CB MET A 118 8.891 2.483 2.042 1.00 50.31 C ATOM 508 CG MET A 118 8.718 1.085 1.469 1.00 42.54 C ATOM 509 SD MET A 118 9.154 -0.207 2.647 1.00 13.04 S ATOM 510 CE MET A 118 7.878 0.020 3.885 1.00 60.34 C ATOM 0 H MET A 118 9.867 4.660 0.034 1.00 34.13 H new ATOM 0 HA MET A 118 8.219 3.166 0.119 1.00 54.10 H new ATOM 0 HB2 MET A 118 9.944 2.644 2.274 1.00 50.31 H new ATOM 0 HB3 MET A 118 8.344 2.552 2.982 1.00 50.31 H new ATOM 0 HG2 MET A 118 7.683 0.951 1.155 1.00 42.54 H new ATOM 0 HG3 MET A 118 9.337 0.983 0.578 1.00 42.54 H new ATOM 0 HE1 MET A 118 7.757 -0.901 4.456 1.00 60.34 H new ATOM 0 HE2 MET A 118 8.163 0.829 4.557 1.00 60.34 H new ATOM 0 HE3 MET A 118 6.937 0.269 3.396 1.00 60.34 H new ATOM 520 N ASP A 119 6.899 5.474 1.336 1.00 32.22 N ATOM 521 CA ASP A 119 5.697 6.169 1.782 1.00 14.12 C ATOM 522 C ASP A 119 4.544 5.939 0.810 1.00 73.04 C ATOM 523 O ASP A 119 4.757 5.595 -0.353 1.00 33.13 O ATOM 524 CB ASP A 119 5.971 7.667 1.922 1.00 40.24 C ATOM 525 CG ASP A 119 5.345 8.257 3.171 1.00 73.15 C ATOM 526 OD1 ASP A 119 4.379 7.658 3.690 1.00 64.04 O ATOM 527 OD2 ASP A 119 5.822 9.315 3.629 1.00 34.21 O ATOM 0 H ASP A 119 7.540 6.048 0.789 1.00 32.22 H new ATOM 0 HA ASP A 119 5.414 5.767 2.755 1.00 14.12 H new ATOM 0 HB2 ASP A 119 7.048 7.836 1.945 1.00 40.24 H new ATOM 0 HB3 ASP A 119 5.585 8.187 1.045 1.00 40.24 H new ATOM 532 N VAL A 120 3.320 6.129 1.295 1.00 10.04 N ATOM 533 CA VAL A 120 2.133 5.942 0.470 1.00 44.53 C ATOM 534 C VAL A 120 1.529 7.281 0.064 1.00 0.54 C ATOM 535 O VAL A 120 1.448 8.207 0.873 1.00 72.20 O ATOM 536 CB VAL A 120 1.064 5.110 1.204 1.00 63.33 C ATOM 537 CG1 VAL A 120 -0.079 4.759 0.263 1.00 64.03 C ATOM 538 CG2 VAL A 120 1.683 3.853 1.796 1.00 4.11 C ATOM 0 H VAL A 120 3.125 6.412 2.255 1.00 10.04 H new ATOM 0 HA VAL A 120 2.451 5.404 -0.423 1.00 44.53 H new ATOM 0 HB VAL A 120 0.660 5.708 2.020 1.00 63.33 H new ATOM 0 HG11 VAL A 120 -0.824 4.171 0.799 1.00 64.03 H new ATOM 0 HG12 VAL A 120 -0.538 5.675 -0.109 1.00 64.03 H new ATOM 0 HG13 VAL A 120 0.305 4.179 -0.576 1.00 64.03 H new ATOM 0 HG21 VAL A 120 0.914 3.277 2.311 1.00 4.11 H new ATOM 0 HG22 VAL A 120 2.115 3.250 0.998 1.00 4.11 H new ATOM 0 HG23 VAL A 120 2.464 4.131 2.504 1.00 4.11 H new ATOM 548 N TRP A 121 1.106 7.378 -1.190 1.00 70.15 N ATOM 549 CA TRP A 121 0.508 8.606 -1.703 1.00 55.25 C ATOM 550 C TRP A 121 -0.887 8.340 -2.259 1.00 40.54 C ATOM 551 O TRP A 121 -1.056 7.536 -3.177 1.00 71.51 O ATOM 552 CB TRP A 121 1.396 9.216 -2.789 1.00 71.43 C ATOM 553 CG TRP A 121 1.257 10.703 -2.904 1.00 3.02 C ATOM 554 CD1 TRP A 121 0.922 11.575 -1.907 1.00 31.43 C ATOM 555 CD2 TRP A 121 1.447 11.493 -4.083 1.00 23.05 C ATOM 556 NE1 TRP A 121 0.892 12.859 -2.396 1.00 24.05 N ATOM 557 CE2 TRP A 121 1.211 12.836 -3.727 1.00 62.13 C ATOM 558 CE3 TRP A 121 1.795 11.198 -5.404 1.00 71.50 C ATOM 559 CZ2 TRP A 121 1.312 13.877 -4.646 1.00 5.02 C ATOM 560 CZ3 TRP A 121 1.895 12.233 -6.314 1.00 75.20 C ATOM 561 CH2 TRP A 121 1.655 13.558 -5.932 1.00 10.53 C ATOM 0 H TRP A 121 1.166 6.621 -1.871 1.00 70.15 H new ATOM 0 HA TRP A 121 0.422 9.312 -0.877 1.00 55.25 H new ATOM 0 HB2 TRP A 121 2.437 8.971 -2.577 1.00 71.43 H new ATOM 0 HB3 TRP A 121 1.150 8.760 -3.748 1.00 71.43 H new ATOM 0 HD1 TRP A 121 0.712 11.296 -0.885 1.00 31.43 H new ATOM 0 HE1 TRP A 121 0.668 13.694 -1.855 1.00 24.05 H new ATOM 0 HE3 TRP A 121 1.982 10.179 -5.708 1.00 71.50 H new ATOM 0 HZ2 TRP A 121 1.126 14.900 -4.354 1.00 5.02 H new ATOM 0 HZ3 TRP A 121 2.163 12.016 -7.337 1.00 75.20 H new ATOM 0 HH2 TRP A 121 1.742 14.345 -6.667 1.00 10.53 H new ATOM 572 N CYS A 122 -1.881 9.021 -1.701 1.00 51.33 N ATOM 573 CA CYS A 122 -3.262 8.858 -2.142 1.00 63.11 C ATOM 574 C CYS A 122 -3.926 10.213 -2.361 1.00 43.22 C ATOM 575 O CYS A 122 -3.844 11.100 -1.514 1.00 4.50 O ATOM 576 CB CYS A 122 -4.055 8.048 -1.116 1.00 23.42 C ATOM 577 SG CYS A 122 -3.667 6.281 -1.110 1.00 11.43 S ATOM 0 H CYS A 122 -1.757 9.691 -0.942 1.00 51.33 H new ATOM 0 HA CYS A 122 -3.253 8.320 -3.090 1.00 63.11 H new ATOM 0 HB2 CYS A 122 -3.864 8.454 -0.123 1.00 23.42 H new ATOM 0 HB3 CYS A 122 -5.119 8.175 -1.313 1.00 23.42 H new ATOM 0 HG CYS A 122 -4.386 5.682 -0.208 1.00 11.43 H new ATOM 583 N ASN A 123 -4.584 10.366 -3.507 1.00 63.43 N ATOM 584 CA ASN A 123 -5.260 11.614 -3.839 1.00 54.13 C ATOM 585 C ASN A 123 -4.336 12.808 -3.623 1.00 34.23 C ATOM 586 O ASN A 123 -4.706 13.782 -2.969 1.00 13.24 O ATOM 587 CB ASN A 123 -6.525 11.774 -2.993 1.00 20.51 C ATOM 588 CG ASN A 123 -7.730 11.099 -3.620 1.00 61.54 C ATOM 589 OD1 ASN A 123 -8.545 10.455 -2.792 1.00 45.25 O flip ATOM 590 ND2 ASN A 123 -7.924 11.154 -4.834 1.00 50.52 N flip ATOM 0 H ASN A 123 -4.663 9.641 -4.220 1.00 63.43 H new ATOM 0 HA ASN A 123 -5.537 11.578 -4.892 1.00 54.13 H new ATOM 0 HB2 ASN A 123 -6.352 11.354 -2.002 1.00 20.51 H new ATOM 0 HB3 ASN A 123 -6.736 12.835 -2.857 1.00 20.51 H new ATOM 0 HD21 ASN A 123 -7.271 11.660 -5.432 1.00 50.52 H new ATOM 0 HD22 ASN A 123 -8.738 10.693 -5.242 1.00 50.52 H new ATOM 597 N GLY A 124 -3.131 12.726 -4.178 1.00 33.23 N ATOM 598 CA GLY A 124 -2.172 13.806 -4.035 1.00 71.33 C ATOM 599 C GLY A 124 -2.022 14.260 -2.597 1.00 5.25 C ATOM 600 O GLY A 124 -2.004 15.458 -2.316 1.00 42.15 O ATOM 0 H GLY A 124 -2.801 11.930 -4.725 1.00 33.23 H new ATOM 0 HA2 GLY A 124 -1.203 13.480 -4.413 1.00 71.33 H new ATOM 0 HA3 GLY A 124 -2.486 14.650 -4.649 1.00 71.33 H new ATOM 604 N GLN A 125 -1.913 13.301 -1.683 1.00 71.52 N ATOM 605 CA GLN A 125 -1.766 13.609 -0.265 1.00 50.44 C ATOM 606 C GLN A 125 -0.919 12.554 0.436 1.00 72.32 C ATOM 607 O GLN A 125 -1.296 11.382 0.501 1.00 4.45 O ATOM 608 CB GLN A 125 -3.138 13.707 0.402 1.00 35.52 C ATOM 609 CG GLN A 125 -3.348 14.999 1.175 1.00 72.24 C ATOM 610 CD GLN A 125 -3.280 14.799 2.676 1.00 74.40 C ATOM 611 OE1 GLN A 125 -3.758 13.793 3.203 1.00 14.51 O ATOM 612 NE2 GLN A 125 -2.684 15.758 3.376 1.00 60.04 N ATOM 0 H GLN A 125 -1.924 12.304 -1.899 1.00 71.52 H new ATOM 0 HA GLN A 125 -1.259 14.570 -0.178 1.00 50.44 H new ATOM 0 HB2 GLN A 125 -3.911 13.621 -0.362 1.00 35.52 H new ATOM 0 HB3 GLN A 125 -3.264 12.863 1.080 1.00 35.52 H new ATOM 0 HG2 GLN A 125 -2.592 15.725 0.874 1.00 72.24 H new ATOM 0 HG3 GLN A 125 -4.318 15.422 0.912 1.00 72.24 H new ATOM 0 HE21 GLN A 125 -2.302 16.575 2.899 1.00 60.04 H new ATOM 0 HE22 GLN A 125 -2.609 15.678 4.390 1.00 60.04 H new ATOM 621 N LYS A 126 0.227 12.973 0.961 1.00 43.12 N ATOM 622 CA LYS A 126 1.128 12.064 1.659 1.00 2.12 C ATOM 623 C LYS A 126 0.392 11.305 2.758 1.00 52.50 C ATOM 624 O LYS A 126 0.130 11.846 3.831 1.00 10.32 O ATOM 625 CB LYS A 126 2.303 12.840 2.261 1.00 42.35 C ATOM 626 CG LYS A 126 3.611 12.637 1.515 1.00 63.21 C ATOM 627 CD LYS A 126 4.760 13.359 2.200 1.00 71.33 C ATOM 628 CE LYS A 126 6.076 12.621 2.004 1.00 1.41 C ATOM 629 NZ LYS A 126 7.128 13.107 2.939 1.00 24.14 N ATOM 0 H LYS A 126 0.554 13.938 0.916 1.00 43.12 H new ATOM 0 HA LYS A 126 1.508 11.343 0.935 1.00 2.12 H new ATOM 0 HB2 LYS A 126 2.060 13.903 2.269 1.00 42.35 H new ATOM 0 HB3 LYS A 126 2.435 12.535 3.299 1.00 42.35 H new ATOM 0 HG2 LYS A 126 3.834 11.572 1.453 1.00 63.21 H new ATOM 0 HG3 LYS A 126 3.509 13.001 0.493 1.00 63.21 H new ATOM 0 HD2 LYS A 126 4.845 14.370 1.802 1.00 71.33 H new ATOM 0 HD3 LYS A 126 4.549 13.453 3.265 1.00 71.33 H new ATOM 0 HE2 LYS A 126 5.920 11.553 2.156 1.00 1.41 H new ATOM 0 HE3 LYS A 126 6.415 12.750 0.976 1.00 1.41 H new ATOM 0 HZ1 LYS A 126 8.009 12.580 2.774 1.00 24.14 H new ATOM 0 HZ2 LYS A 126 7.295 14.121 2.777 1.00 24.14 H new ATOM 0 HZ3 LYS A 126 6.815 12.961 3.920 1.00 24.14 H new ATOM 643 N MET A 127 0.061 10.048 2.481 1.00 33.13 N ATOM 644 CA MET A 127 -0.644 9.214 3.448 1.00 71.41 C ATOM 645 C MET A 127 0.217 8.967 4.683 1.00 21.31 C ATOM 646 O MET A 127 1.419 9.230 4.674 1.00 22.50 O ATOM 647 CB MET A 127 -1.037 7.880 2.812 1.00 74.14 C ATOM 648 CG MET A 127 -2.180 7.995 1.817 1.00 75.25 C ATOM 649 SD MET A 127 -3.792 7.703 2.572 1.00 65.41 S ATOM 650 CE MET A 127 -3.592 6.020 3.154 1.00 61.34 C ATOM 0 H MET A 127 0.269 9.585 1.596 1.00 33.13 H new ATOM 0 HA MET A 127 -1.547 9.742 3.755 1.00 71.41 H new ATOM 0 HB2 MET A 127 -0.168 7.457 2.308 1.00 74.14 H new ATOM 0 HB3 MET A 127 -1.320 7.181 3.599 1.00 74.14 H new ATOM 0 HG2 MET A 127 -2.168 8.989 1.369 1.00 75.25 H new ATOM 0 HG3 MET A 127 -2.027 7.279 1.009 1.00 75.25 H new ATOM 0 HE1 MET A 127 -4.279 5.365 2.617 1.00 61.34 H new ATOM 0 HE2 MET A 127 -2.567 5.694 2.978 1.00 61.34 H new ATOM 0 HE3 MET A 127 -3.809 5.976 4.221 1.00 61.34 H new ATOM 660 N GLU A 128 -0.406 8.462 5.743 1.00 54.23 N ATOM 661 CA GLU A 128 0.305 8.182 6.985 1.00 72.34 C ATOM 662 C GLU A 128 0.228 6.697 7.332 1.00 23.12 C ATOM 663 O GLU A 128 -0.812 6.200 7.762 1.00 14.31 O ATOM 664 CB GLU A 128 -0.276 9.015 8.130 1.00 72.24 C ATOM 665 CG GLU A 128 0.715 9.998 8.729 1.00 2.41 C ATOM 666 CD GLU A 128 0.761 9.929 10.243 1.00 3.52 C ATOM 667 OE1 GLU A 128 -0.096 10.565 10.892 1.00 65.20 O ATOM 668 OE2 GLU A 128 1.654 9.240 10.780 1.00 42.31 O ATOM 0 H GLU A 128 -1.401 8.239 5.767 1.00 54.23 H new ATOM 0 HA GLU A 128 1.352 8.451 6.844 1.00 72.34 H new ATOM 0 HB2 GLU A 128 -1.144 9.564 7.765 1.00 72.24 H new ATOM 0 HB3 GLU A 128 -0.629 8.344 8.914 1.00 72.24 H new ATOM 0 HG2 GLU A 128 1.709 9.796 8.329 1.00 2.41 H new ATOM 0 HG3 GLU A 128 0.448 11.010 8.423 1.00 2.41 H new ATOM 675 N THR A 129 1.341 5.993 7.142 1.00 13.20 N ATOM 676 CA THR A 129 1.401 4.567 7.432 1.00 73.22 C ATOM 677 C THR A 129 2.012 4.311 8.805 1.00 71.35 C ATOM 678 O THR A 129 2.461 5.238 9.478 1.00 35.41 O ATOM 679 CB THR A 129 2.220 3.811 6.369 1.00 72.41 C ATOM 680 OG1 THR A 129 3.617 4.051 6.566 1.00 65.55 O ATOM 681 CG2 THR A 129 1.818 4.245 4.968 1.00 44.20 C ATOM 0 H THR A 129 2.212 6.389 6.789 1.00 13.20 H new ATOM 0 HA THR A 129 0.375 4.198 7.419 1.00 73.22 H new ATOM 0 HB THR A 129 2.017 2.745 6.474 1.00 72.41 H new ATOM 0 HG1 THR A 129 4.082 4.005 5.704 1.00 65.55 H new ATOM 0 HG21 THR A 129 2.409 3.698 4.234 1.00 44.20 H new ATOM 0 HG22 THR A 129 0.760 4.034 4.811 1.00 44.20 H new ATOM 0 HG23 THR A 129 1.996 5.314 4.853 1.00 44.20 H new ATOM 689 N ALA A 130 2.027 3.046 9.215 1.00 40.34 N ATOM 690 CA ALA A 130 2.587 2.668 10.507 1.00 55.33 C ATOM 691 C ALA A 130 3.702 1.642 10.342 1.00 73.21 C ATOM 692 O ALA A 130 3.455 0.436 10.350 1.00 4.13 O ATOM 693 CB ALA A 130 1.495 2.124 11.415 1.00 31.53 C ATOM 0 H ALA A 130 1.658 2.266 8.671 1.00 40.34 H new ATOM 0 HA ALA A 130 3.015 3.559 10.966 1.00 55.33 H new ATOM 0 HB1 ALA A 130 1.926 1.845 12.376 1.00 31.53 H new ATOM 0 HB2 ALA A 130 0.734 2.889 11.567 1.00 31.53 H new ATOM 0 HB3 ALA A 130 1.041 1.247 10.953 1.00 31.53 H new ATOM 699 N GLY A 131 4.930 2.128 10.193 1.00 65.13 N ATOM 700 CA GLY A 131 6.065 1.238 10.028 1.00 3.34 C ATOM 701 C GLY A 131 6.118 0.162 11.095 1.00 72.51 C ATOM 702 O GLY A 131 6.259 0.461 12.279 1.00 33.35 O ATOM 0 H GLY A 131 5.160 3.122 10.184 1.00 65.13 H new ATOM 0 HA2 GLY A 131 6.015 0.769 9.045 1.00 3.34 H new ATOM 0 HA3 GLY A 131 6.986 1.820 10.057 1.00 3.34 H new ATOM 706 N GLU A 132 6.004 -1.094 10.672 1.00 13.14 N ATOM 707 CA GLU A 132 6.037 -2.217 11.602 1.00 54.45 C ATOM 708 C GLU A 132 6.705 -3.431 10.963 1.00 72.11 C ATOM 709 O GLU A 132 6.096 -4.140 10.160 1.00 5.24 O ATOM 710 CB GLU A 132 4.619 -2.579 12.049 1.00 33.00 C ATOM 711 CG GLU A 132 4.510 -2.890 13.532 1.00 55.30 C ATOM 712 CD GLU A 132 3.080 -3.133 13.974 1.00 74.43 C ATOM 713 OE1 GLU A 132 2.209 -2.293 13.661 1.00 63.32 O ATOM 714 OE2 GLU A 132 2.830 -4.166 14.631 1.00 1.24 O ATOM 0 H GLU A 132 5.888 -1.359 9.694 1.00 13.14 H new ATOM 0 HA GLU A 132 6.620 -1.918 12.473 1.00 54.45 H new ATOM 0 HB2 GLU A 132 3.949 -1.753 11.809 1.00 33.00 H new ATOM 0 HB3 GLU A 132 4.277 -3.443 11.479 1.00 33.00 H new ATOM 0 HG2 GLU A 132 5.111 -3.770 13.760 1.00 55.30 H new ATOM 0 HG3 GLU A 132 4.928 -2.062 14.105 1.00 55.30 H new ATOM 721 N PHE A 133 7.963 -3.665 11.325 1.00 34.10 N ATOM 722 CA PHE A 133 8.716 -4.791 10.788 1.00 62.53 C ATOM 723 C PHE A 133 8.170 -6.114 11.319 1.00 4.35 C ATOM 724 O PHE A 133 7.641 -6.179 12.429 1.00 41.32 O ATOM 725 CB PHE A 133 10.198 -4.659 11.144 1.00 2.50 C ATOM 726 CG PHE A 133 10.456 -4.594 12.623 1.00 73.05 C ATOM 727 CD1 PHE A 133 10.506 -5.752 13.381 1.00 75.44 C ATOM 728 CD2 PHE A 133 10.648 -3.375 13.253 1.00 61.11 C ATOM 729 CE1 PHE A 133 10.742 -5.696 14.742 1.00 53.12 C ATOM 730 CE2 PHE A 133 10.885 -3.313 14.614 1.00 53.42 C ATOM 731 CZ PHE A 133 10.933 -4.474 15.358 1.00 34.45 C ATOM 0 H PHE A 133 8.481 -3.089 11.988 1.00 34.10 H new ATOM 0 HA PHE A 133 8.608 -4.782 9.703 1.00 62.53 H new ATOM 0 HB2 PHE A 133 10.741 -5.506 10.725 1.00 2.50 H new ATOM 0 HB3 PHE A 133 10.598 -3.761 10.674 1.00 2.50 H new ATOM 0 HD1 PHE A 133 10.359 -6.709 12.904 1.00 75.44 H new ATOM 0 HD2 PHE A 133 10.612 -2.463 12.675 1.00 61.11 H new ATOM 0 HE1 PHE A 133 10.777 -6.606 15.323 1.00 53.12 H new ATOM 0 HE2 PHE A 133 11.032 -2.357 15.094 1.00 53.42 H new ATOM 0 HZ PHE A 133 11.120 -4.428 16.421 1.00 34.45 H new ATOM 741 N VAL A 134 8.303 -7.167 10.518 1.00 21.23 N ATOM 742 CA VAL A 134 7.824 -8.488 10.908 1.00 64.52 C ATOM 743 C VAL A 134 8.800 -9.576 10.473 1.00 23.31 C ATOM 744 O VAL A 134 9.856 -9.287 9.909 1.00 61.53 O ATOM 745 CB VAL A 134 6.439 -8.784 10.302 1.00 3.31 C ATOM 746 CG1 VAL A 134 5.363 -7.975 11.009 1.00 12.22 C ATOM 747 CG2 VAL A 134 6.439 -8.497 8.808 1.00 61.23 C ATOM 0 H VAL A 134 8.738 -7.131 9.596 1.00 21.23 H new ATOM 0 HA VAL A 134 7.744 -8.488 11.995 1.00 64.52 H new ATOM 0 HB VAL A 134 6.217 -9.842 10.445 1.00 3.31 H new ATOM 0 HG11 VAL A 134 4.392 -8.197 10.567 1.00 12.22 H new ATOM 0 HG12 VAL A 134 5.349 -8.235 12.067 1.00 12.22 H new ATOM 0 HG13 VAL A 134 5.577 -6.912 10.900 1.00 12.22 H new ATOM 0 HG21 VAL A 134 5.453 -8.712 8.396 1.00 61.23 H new ATOM 0 HG22 VAL A 134 6.682 -7.448 8.639 1.00 61.23 H new ATOM 0 HG23 VAL A 134 7.182 -9.125 8.317 1.00 61.23 H new ATOM 757 N ASP A 135 8.440 -10.826 10.738 1.00 34.35 N ATOM 758 CA ASP A 135 9.283 -11.959 10.373 1.00 33.30 C ATOM 759 C ASP A 135 9.480 -12.025 8.861 1.00 0.13 C ATOM 760 O ASP A 135 10.397 -12.685 8.374 1.00 61.43 O ATOM 761 CB ASP A 135 8.666 -13.265 10.877 1.00 71.10 C ATOM 762 CG ASP A 135 9.429 -13.852 12.048 1.00 55.02 C ATOM 763 OD1 ASP A 135 10.626 -14.165 11.880 1.00 33.41 O ATOM 764 OD2 ASP A 135 8.828 -13.996 13.134 1.00 31.01 O ATOM 0 H ASP A 135 7.570 -11.081 11.205 1.00 34.35 H new ATOM 0 HA ASP A 135 10.257 -11.822 10.843 1.00 33.30 H new ATOM 0 HB2 ASP A 135 7.633 -13.084 11.174 1.00 71.10 H new ATOM 0 HB3 ASP A 135 8.642 -13.990 10.063 1.00 71.10 H new ATOM 769 N ASP A 136 8.613 -11.337 8.127 1.00 41.43 N ATOM 770 CA ASP A 136 8.691 -11.317 6.670 1.00 34.23 C ATOM 771 C ASP A 136 9.221 -9.976 6.173 1.00 2.35 C ATOM 772 O ASP A 136 10.376 -9.868 5.760 1.00 14.24 O ATOM 773 CB ASP A 136 7.316 -11.593 6.061 1.00 25.41 C ATOM 774 CG ASP A 136 7.250 -12.942 5.371 1.00 15.22 C ATOM 775 OD1 ASP A 136 6.907 -13.937 6.044 1.00 55.22 O ATOM 776 OD2 ASP A 136 7.540 -13.002 4.158 1.00 53.22 O ATOM 0 H ASP A 136 7.848 -10.786 8.516 1.00 41.43 H new ATOM 0 HA ASP A 136 9.382 -12.099 6.357 1.00 34.23 H new ATOM 0 HB2 ASP A 136 6.559 -11.551 6.845 1.00 25.41 H new ATOM 0 HB3 ASP A 136 7.075 -10.809 5.343 1.00 25.41 H new ATOM 781 N GLY A 137 8.369 -8.956 6.215 1.00 3.22 N ATOM 782 CA GLY A 137 8.770 -7.636 5.764 1.00 15.04 C ATOM 783 C GLY A 137 8.280 -6.536 6.685 1.00 35.01 C ATOM 784 O GLY A 137 8.606 -6.517 7.873 1.00 12.11 O ATOM 0 H GLY A 137 7.409 -9.020 6.553 1.00 3.22 H new ATOM 0 HA2 GLY A 137 9.857 -7.593 5.697 1.00 15.04 H new ATOM 0 HA3 GLY A 137 8.382 -7.465 4.760 1.00 15.04 H new ATOM 788 N THR A 138 7.494 -5.613 6.137 1.00 72.14 N ATOM 789 CA THR A 138 6.960 -4.504 6.916 1.00 3.35 C ATOM 790 C THR A 138 5.476 -4.301 6.639 1.00 53.13 C ATOM 791 O THR A 138 5.054 -4.241 5.484 1.00 13.23 O ATOM 792 CB THR A 138 7.711 -3.192 6.613 1.00 63.53 C ATOM 793 OG1 THR A 138 8.840 -3.457 5.774 1.00 25.30 O ATOM 794 CG2 THR A 138 8.174 -2.525 7.899 1.00 11.44 C ATOM 0 H THR A 138 7.214 -5.613 5.156 1.00 72.14 H new ATOM 0 HA THR A 138 7.099 -4.760 7.966 1.00 3.35 H new ATOM 0 HB THR A 138 7.027 -2.517 6.098 1.00 63.53 H new ATOM 0 HG1 THR A 138 9.311 -2.619 5.585 1.00 25.30 H new ATOM 0 HG21 THR A 138 8.701 -1.601 7.660 1.00 11.44 H new ATOM 0 HG22 THR A 138 7.310 -2.298 8.523 1.00 11.44 H new ATOM 0 HG23 THR A 138 8.844 -3.196 8.437 1.00 11.44 H new ATOM 802 N GLU A 139 4.687 -4.196 7.704 1.00 24.35 N ATOM 803 CA GLU A 139 3.248 -4.000 7.574 1.00 62.13 C ATOM 804 C GLU A 139 2.883 -2.527 7.728 1.00 4.21 C ATOM 805 O GLU A 139 2.731 -2.026 8.843 1.00 40.42 O ATOM 806 CB GLU A 139 2.502 -4.834 8.615 1.00 34.44 C ATOM 807 CG GLU A 139 3.045 -6.245 8.770 1.00 32.44 C ATOM 808 CD GLU A 139 2.317 -7.037 9.839 1.00 15.30 C ATOM 809 OE1 GLU A 139 2.348 -6.616 11.015 1.00 45.53 O ATOM 810 OE2 GLU A 139 1.714 -8.077 9.501 1.00 63.53 O ATOM 0 H GLU A 139 5.021 -4.243 8.667 1.00 24.35 H new ATOM 0 HA GLU A 139 2.951 -4.327 6.577 1.00 62.13 H new ATOM 0 HB2 GLU A 139 2.553 -4.327 9.578 1.00 34.44 H new ATOM 0 HB3 GLU A 139 1.449 -4.888 8.338 1.00 34.44 H new ATOM 0 HG2 GLU A 139 2.964 -6.768 7.817 1.00 32.44 H new ATOM 0 HG3 GLU A 139 4.105 -6.197 9.018 1.00 32.44 H new ATOM 817 N THR A 140 2.746 -1.835 6.601 1.00 71.22 N ATOM 818 CA THR A 140 2.400 -0.420 6.609 1.00 4.35 C ATOM 819 C THR A 140 0.908 -0.219 6.841 1.00 53.31 C ATOM 820 O THR A 140 0.088 -0.516 5.970 1.00 4.30 O ATOM 821 CB THR A 140 2.801 0.264 5.289 1.00 55.13 C ATOM 822 OG1 THR A 140 3.213 -0.719 4.333 1.00 11.00 O ATOM 823 CG2 THR A 140 3.927 1.262 5.515 1.00 22.21 C ATOM 0 H THR A 140 2.870 -2.233 5.670 1.00 71.22 H new ATOM 0 HA THR A 140 2.956 0.036 7.429 1.00 4.35 H new ATOM 0 HB THR A 140 1.933 0.801 4.907 1.00 55.13 H new ATOM 0 HG1 THR A 140 3.613 -0.273 3.557 1.00 11.00 H new ATOM 0 HG21 THR A 140 4.192 1.732 4.568 1.00 22.21 H new ATOM 0 HG22 THR A 140 3.600 2.026 6.220 1.00 22.21 H new ATOM 0 HG23 THR A 140 4.797 0.744 5.919 1.00 22.21 H new ATOM 831 N HIS A 141 0.558 0.288 8.019 1.00 63.41 N ATOM 832 CA HIS A 141 -0.838 0.529 8.364 1.00 41.50 C ATOM 833 C HIS A 141 -1.191 2.005 8.199 1.00 42.00 C ATOM 834 O HIS A 141 -0.696 2.858 8.936 1.00 13.44 O ATOM 835 CB HIS A 141 -1.115 0.084 9.799 1.00 10.33 C ATOM 836 CG HIS A 141 -0.863 -1.373 10.034 1.00 3.21 C ATOM 837 ND1 HIS A 141 -1.048 -1.982 11.258 1.00 2.23 N ATOM 838 CD2 HIS A 141 -0.440 -2.345 9.192 1.00 21.44 C ATOM 839 CE1 HIS A 141 -0.747 -3.264 11.159 1.00 5.12 C ATOM 840 NE2 HIS A 141 -0.375 -3.511 9.916 1.00 55.42 N ATOM 0 H HIS A 141 1.222 0.540 8.751 1.00 63.41 H new ATOM 0 HA HIS A 141 -1.460 -0.054 7.685 1.00 41.50 H new ATOM 0 HB2 HIS A 141 -0.492 0.666 10.478 1.00 10.33 H new ATOM 0 HB3 HIS A 141 -2.152 0.309 10.047 1.00 10.33 H new ATOM 0 HD1 HIS A 141 -1.367 -1.515 12.107 1.00 2.23 H new ATOM 0 HD2 HIS A 141 -0.199 -2.226 8.146 1.00 21.44 H new ATOM 0 HE1 HIS A 141 -0.797 -3.988 11.959 1.00 5.12 H new ATOM 848 N PHE A 142 -2.048 2.298 7.226 1.00 1.43 N ATOM 849 CA PHE A 142 -2.465 3.671 6.963 1.00 63.23 C ATOM 850 C PHE A 142 -3.987 3.789 6.978 1.00 24.53 C ATOM 851 O PHE A 142 -4.673 3.222 6.128 1.00 2.21 O ATOM 852 CB PHE A 142 -1.919 4.143 5.614 1.00 52.14 C ATOM 853 CG PHE A 142 -1.969 3.088 4.546 1.00 44.52 C ATOM 854 CD1 PHE A 142 -3.097 2.934 3.758 1.00 51.25 C ATOM 855 CD2 PHE A 142 -0.886 2.251 4.330 1.00 23.13 C ATOM 856 CE1 PHE A 142 -3.146 1.965 2.773 1.00 61.11 C ATOM 857 CE2 PHE A 142 -0.929 1.280 3.347 1.00 4.10 C ATOM 858 CZ PHE A 142 -2.060 1.137 2.568 1.00 74.42 C ATOM 0 H PHE A 142 -2.467 1.604 6.607 1.00 1.43 H new ATOM 0 HA PHE A 142 -2.061 4.305 7.752 1.00 63.23 H new ATOM 0 HB2 PHE A 142 -2.490 5.011 5.283 1.00 52.14 H new ATOM 0 HB3 PHE A 142 -0.887 4.470 5.743 1.00 52.14 H new ATOM 0 HD1 PHE A 142 -3.949 3.579 3.915 1.00 51.25 H new ATOM 0 HD2 PHE A 142 0.001 2.358 4.936 1.00 23.13 H new ATOM 0 HE1 PHE A 142 -4.032 1.856 2.165 1.00 61.11 H new ATOM 0 HE2 PHE A 142 -0.078 0.634 3.188 1.00 4.10 H new ATOM 0 HZ PHE A 142 -2.095 0.379 1.800 1.00 74.42 H new ATOM 868 N SER A 143 -4.506 4.529 7.952 1.00 12.31 N ATOM 869 CA SER A 143 -5.946 4.719 8.082 1.00 30.14 C ATOM 870 C SER A 143 -6.450 5.753 7.079 1.00 35.25 C ATOM 871 O SER A 143 -5.717 6.657 6.680 1.00 23.54 O ATOM 872 CB SER A 143 -6.298 5.158 9.505 1.00 53.52 C ATOM 873 OG SER A 143 -5.737 6.425 9.801 1.00 11.15 O ATOM 0 H SER A 143 -3.951 5.007 8.662 1.00 12.31 H new ATOM 0 HA SER A 143 -6.434 3.767 7.872 1.00 30.14 H new ATOM 0 HB2 SER A 143 -7.381 5.201 9.618 1.00 53.52 H new ATOM 0 HB3 SER A 143 -5.932 4.419 10.218 1.00 53.52 H new ATOM 0 HG SER A 143 -5.978 6.684 10.715 1.00 11.15 H new ATOM 879 N VAL A 144 -7.709 5.612 6.677 1.00 34.35 N ATOM 880 CA VAL A 144 -8.314 6.532 5.722 1.00 14.41 C ATOM 881 C VAL A 144 -9.800 6.721 6.006 1.00 54.23 C ATOM 882 O VAL A 144 -10.605 5.819 5.780 1.00 15.32 O ATOM 883 CB VAL A 144 -8.138 6.036 4.275 1.00 42.14 C ATOM 884 CG1 VAL A 144 -8.705 7.047 3.290 1.00 13.44 C ATOM 885 CG2 VAL A 144 -6.672 5.759 3.982 1.00 24.33 C ATOM 0 H VAL A 144 -8.330 4.869 6.998 1.00 34.35 H new ATOM 0 HA VAL A 144 -7.801 7.487 5.835 1.00 14.41 H new ATOM 0 HB VAL A 144 -8.691 5.104 4.160 1.00 42.14 H new ATOM 0 HG11 VAL A 144 -8.571 6.679 2.273 1.00 13.44 H new ATOM 0 HG12 VAL A 144 -9.767 7.191 3.487 1.00 13.44 H new ATOM 0 HG13 VAL A 144 -8.183 7.997 3.403 1.00 13.44 H new ATOM 0 HG21 VAL A 144 -6.566 5.409 2.955 1.00 24.33 H new ATOM 0 HG22 VAL A 144 -6.095 6.674 4.115 1.00 24.33 H new ATOM 0 HG23 VAL A 144 -6.302 4.995 4.666 1.00 24.33 H new ATOM 895 N GLY A 145 -10.158 7.902 6.503 1.00 20.10 N ATOM 896 CA GLY A 145 -11.547 8.188 6.809 1.00 23.32 C ATOM 897 C GLY A 145 -12.171 7.138 7.706 1.00 74.22 C ATOM 898 O GLY A 145 -11.834 7.039 8.885 1.00 11.03 O ATOM 0 H GLY A 145 -9.510 8.665 6.699 1.00 20.10 H new ATOM 0 HA2 GLY A 145 -11.616 9.162 7.293 1.00 23.32 H new ATOM 0 HA3 GLY A 145 -12.115 8.252 5.881 1.00 23.32 H new ATOM 902 N ASN A 146 -13.085 6.351 7.147 1.00 14.33 N ATOM 903 CA ASN A 146 -13.760 5.304 7.905 1.00 14.12 C ATOM 904 C ASN A 146 -13.433 3.926 7.340 1.00 54.14 C ATOM 905 O ASN A 146 -14.216 2.984 7.477 1.00 2.50 O ATOM 906 CB ASN A 146 -15.274 5.529 7.890 1.00 23.04 C ATOM 907 CG ASN A 146 -15.905 5.310 9.251 1.00 22.11 C ATOM 908 OD1 ASN A 146 -16.626 6.169 9.760 1.00 64.12 O ATOM 909 ND2 ASN A 146 -15.636 4.155 9.849 1.00 71.44 N ATOM 0 H ASN A 146 -13.375 6.419 6.171 1.00 14.33 H new ATOM 0 HA ASN A 146 -13.404 5.348 8.934 1.00 14.12 H new ATOM 0 HB2 ASN A 146 -15.484 6.545 7.554 1.00 23.04 H new ATOM 0 HB3 ASN A 146 -15.732 4.853 7.167 1.00 23.04 H new ATOM 0 HD21 ASN A 146 -16.032 3.951 10.767 1.00 71.44 H new ATOM 0 HD22 ASN A 146 -15.033 3.472 9.391 1.00 71.44 H new ATOM 916 N HIS A 147 -12.273 3.814 6.702 1.00 42.12 N ATOM 917 CA HIS A 147 -11.841 2.550 6.115 1.00 52.13 C ATOM 918 C HIS A 147 -10.484 2.130 6.669 1.00 64.43 C ATOM 919 O HIS A 147 -9.768 2.936 7.263 1.00 23.31 O ATOM 920 CB HIS A 147 -11.771 2.668 4.592 1.00 24.22 C ATOM 921 CG HIS A 147 -12.987 3.294 3.982 1.00 22.55 C ATOM 922 ND1 HIS A 147 -14.272 2.923 4.318 1.00 20.40 N ATOM 923 CD2 HIS A 147 -13.110 4.272 3.055 1.00 24.20 C ATOM 924 CE1 HIS A 147 -15.132 3.644 3.621 1.00 34.34 C ATOM 925 NE2 HIS A 147 -14.452 4.470 2.848 1.00 51.52 N ATOM 0 H HIS A 147 -11.615 4.583 6.578 1.00 42.12 H new ATOM 0 HA HIS A 147 -12.573 1.786 6.378 1.00 52.13 H new ATOM 0 HB2 HIS A 147 -10.895 3.257 4.322 1.00 24.22 H new ATOM 0 HB3 HIS A 147 -11.631 1.675 4.165 1.00 24.22 H new ATOM 0 HD2 HIS A 147 -12.302 4.799 2.569 1.00 24.20 H new ATOM 0 HE1 HIS A 147 -16.208 3.570 3.675 1.00 34.34 H new ATOM 0 HE2 HIS A 147 -14.858 5.146 2.201 1.00 51.52 H new ATOM 933 N ASP A 148 -10.135 0.863 6.469 1.00 23.34 N ATOM 934 CA ASP A 148 -8.863 0.335 6.949 1.00 43.24 C ATOM 935 C ASP A 148 -8.084 -0.319 5.812 1.00 22.40 C ATOM 936 O ASP A 148 -8.579 -1.235 5.153 1.00 2.04 O ATOM 937 CB ASP A 148 -9.096 -0.676 8.072 1.00 52.30 C ATOM 938 CG ASP A 148 -7.843 -1.457 8.417 1.00 32.11 C ATOM 939 OD1 ASP A 148 -6.888 -0.847 8.943 1.00 52.22 O ATOM 940 OD2 ASP A 148 -7.818 -2.679 8.162 1.00 40.31 O ATOM 0 H ASP A 148 -10.715 0.183 5.978 1.00 23.34 H new ATOM 0 HA ASP A 148 -8.276 1.167 7.337 1.00 43.24 H new ATOM 0 HB2 ASP A 148 -9.451 -0.153 8.960 1.00 52.30 H new ATOM 0 HB3 ASP A 148 -9.883 -1.370 7.775 1.00 52.30 H new ATOM 945 N CYS A 149 -6.864 0.156 5.587 1.00 52.14 N ATOM 946 CA CYS A 149 -6.017 -0.382 4.528 1.00 51.20 C ATOM 947 C CYS A 149 -4.557 -0.426 4.969 1.00 13.34 C ATOM 948 O CYS A 149 -4.120 0.387 5.784 1.00 1.20 O ATOM 949 CB CYS A 149 -6.154 0.460 3.259 1.00 44.54 C ATOM 950 SG CYS A 149 -6.414 2.223 3.567 1.00 14.00 S ATOM 0 H CYS A 149 -6.439 0.912 6.123 1.00 52.14 H new ATOM 0 HA CYS A 149 -6.345 -1.400 4.317 1.00 51.20 H new ATOM 0 HB2 CYS A 149 -5.255 0.336 2.655 1.00 44.54 H new ATOM 0 HB3 CYS A 149 -6.988 0.078 2.671 1.00 44.54 H new ATOM 0 HG CYS A 149 -5.290 2.860 3.420 1.00 14.00 H new ATOM 956 N TYR A 150 -3.810 -1.380 4.427 1.00 43.41 N ATOM 957 CA TYR A 150 -2.401 -1.532 4.767 1.00 65.21 C ATOM 958 C TYR A 150 -1.619 -2.131 3.601 1.00 73.23 C ATOM 959 O TYR A 150 -2.161 -2.905 2.810 1.00 4.44 O ATOM 960 CB TYR A 150 -2.246 -2.416 6.006 1.00 61.51 C ATOM 961 CG TYR A 150 -2.501 -3.882 5.739 1.00 71.44 C ATOM 962 CD1 TYR A 150 -3.792 -4.361 5.555 1.00 50.43 C ATOM 963 CD2 TYR A 150 -1.451 -4.790 5.672 1.00 33.21 C ATOM 964 CE1 TYR A 150 -4.030 -5.699 5.311 1.00 72.52 C ATOM 965 CE2 TYR A 150 -1.679 -6.130 5.428 1.00 41.23 C ATOM 966 CZ TYR A 150 -2.971 -6.581 5.249 1.00 43.43 C ATOM 967 OH TYR A 150 -3.202 -7.914 5.006 1.00 72.52 O ATOM 0 H TYR A 150 -4.156 -2.060 3.750 1.00 43.41 H new ATOM 0 HA TYR A 150 -1.997 -0.542 4.981 1.00 65.21 H new ATOM 0 HB2 TYR A 150 -1.238 -2.298 6.403 1.00 61.51 H new ATOM 0 HB3 TYR A 150 -2.935 -2.071 6.777 1.00 61.51 H new ATOM 0 HD1 TYR A 150 -4.624 -3.675 5.604 1.00 50.43 H new ATOM 0 HD2 TYR A 150 -0.439 -4.441 5.813 1.00 33.21 H new ATOM 0 HE1 TYR A 150 -5.040 -6.053 5.169 1.00 72.52 H new ATOM 0 HE2 TYR A 150 -0.851 -6.821 5.378 1.00 41.23 H new ATOM 0 HH TYR A 150 -4.165 -8.066 4.903 1.00 72.52 H new ATOM 977 N ILE A 151 -0.346 -1.767 3.501 1.00 23.13 N ATOM 978 CA ILE A 151 0.511 -2.269 2.434 1.00 72.45 C ATOM 979 C ILE A 151 1.389 -3.413 2.927 1.00 65.32 C ATOM 980 O ILE A 151 2.262 -3.221 3.774 1.00 21.52 O ATOM 981 CB ILE A 151 1.408 -1.156 1.862 1.00 64.00 C ATOM 982 CG1 ILE A 151 0.669 -0.387 0.766 1.00 53.51 C ATOM 983 CG2 ILE A 151 2.703 -1.745 1.322 1.00 33.10 C ATOM 984 CD1 ILE A 151 1.419 0.829 0.271 1.00 51.45 C ATOM 0 H ILE A 151 0.116 -1.126 4.146 1.00 23.13 H new ATOM 0 HA ILE A 151 -0.147 -2.634 1.645 1.00 72.45 H new ATOM 0 HB ILE A 151 1.654 -0.460 2.664 1.00 64.00 H new ATOM 0 HG12 ILE A 151 0.483 -1.056 -0.074 1.00 53.51 H new ATOM 0 HG13 ILE A 151 -0.304 -0.074 1.146 1.00 53.51 H new ATOM 0 HG21 ILE A 151 3.327 -0.946 0.921 1.00 33.10 H new ATOM 0 HG22 ILE A 151 3.236 -2.252 2.127 1.00 33.10 H new ATOM 0 HG23 ILE A 151 2.476 -2.460 0.531 1.00 33.10 H new ATOM 0 HD11 ILE A 151 0.836 1.325 -0.505 1.00 51.45 H new ATOM 0 HD12 ILE A 151 1.582 1.518 1.100 1.00 51.45 H new ATOM 0 HD13 ILE A 151 2.381 0.521 -0.139 1.00 51.45 H new ATOM 996 N LYS A 152 1.157 -4.606 2.388 1.00 54.00 N ATOM 997 CA LYS A 152 1.929 -5.782 2.770 1.00 73.24 C ATOM 998 C LYS A 152 3.273 -5.807 2.050 1.00 2.12 C ATOM 999 O LYS A 152 3.350 -6.143 0.868 1.00 12.03 O ATOM 1000 CB LYS A 152 1.144 -7.057 2.451 1.00 64.52 C ATOM 1001 CG LYS A 152 1.196 -8.095 3.558 1.00 62.32 C ATOM 1002 CD LYS A 152 -0.143 -8.791 3.733 1.00 63.21 C ATOM 1003 CE LYS A 152 -0.251 -10.024 2.849 1.00 45.40 C ATOM 1004 NZ LYS A 152 0.392 -11.213 3.474 1.00 63.44 N ATOM 0 H LYS A 152 0.440 -4.783 1.685 1.00 54.00 H new ATOM 0 HA LYS A 152 2.112 -5.734 3.843 1.00 73.24 H new ATOM 0 HB2 LYS A 152 0.104 -6.795 2.259 1.00 64.52 H new ATOM 0 HB3 LYS A 152 1.537 -7.496 1.534 1.00 64.52 H new ATOM 0 HG2 LYS A 152 1.964 -8.834 3.329 1.00 62.32 H new ATOM 0 HG3 LYS A 152 1.483 -7.616 4.494 1.00 62.32 H new ATOM 0 HD2 LYS A 152 -0.271 -9.078 4.777 1.00 63.21 H new ATOM 0 HD3 LYS A 152 -0.949 -8.098 3.492 1.00 63.21 H new ATOM 0 HE2 LYS A 152 -1.301 -10.240 2.654 1.00 45.40 H new ATOM 0 HE3 LYS A 152 0.217 -9.822 1.886 1.00 45.40 H new ATOM 0 HZ1 LYS A 152 0.297 -12.032 2.840 1.00 63.44 H new ATOM 0 HZ2 LYS A 152 1.400 -11.017 3.637 1.00 63.44 H new ATOM 0 HZ3 LYS A 152 -0.071 -11.421 4.381 1.00 63.44 H new ATOM 1018 N ALA A 153 4.332 -5.450 2.771 1.00 61.11 N ATOM 1019 CA ALA A 153 5.674 -5.435 2.202 1.00 40.20 C ATOM 1020 C ALA A 153 6.453 -6.684 2.600 1.00 41.11 C ATOM 1021 O ALA A 153 6.275 -7.216 3.696 1.00 51.24 O ATOM 1022 CB ALA A 153 6.419 -4.184 2.641 1.00 15.51 C ATOM 0 H ALA A 153 4.286 -5.167 3.750 1.00 61.11 H new ATOM 0 HA ALA A 153 5.581 -5.427 1.116 1.00 40.20 H new ATOM 0 HB1 ALA A 153 7.420 -4.186 2.209 1.00 15.51 H new ATOM 0 HB2 ALA A 153 5.879 -3.301 2.301 1.00 15.51 H new ATOM 0 HB3 ALA A 153 6.493 -4.168 3.728 1.00 15.51 H new ATOM 1028 N VAL A 154 7.317 -7.148 1.702 1.00 51.14 N ATOM 1029 CA VAL A 154 8.123 -8.335 1.960 1.00 10.22 C ATOM 1030 C VAL A 154 9.466 -8.254 1.243 1.00 13.53 C ATOM 1031 O VAL A 154 9.522 -8.101 0.023 1.00 2.11 O ATOM 1032 CB VAL A 154 7.394 -9.617 1.516 1.00 52.10 C ATOM 1033 CG1 VAL A 154 8.254 -10.842 1.786 1.00 61.30 C ATOM 1034 CG2 VAL A 154 6.048 -9.734 2.216 1.00 43.12 C ATOM 0 H VAL A 154 7.476 -6.720 0.790 1.00 51.14 H new ATOM 0 HA VAL A 154 8.290 -8.375 3.036 1.00 10.22 H new ATOM 0 HB VAL A 154 7.215 -9.559 0.442 1.00 52.10 H new ATOM 0 HG11 VAL A 154 7.722 -11.738 1.466 1.00 61.30 H new ATOM 0 HG12 VAL A 154 9.190 -10.759 1.233 1.00 61.30 H new ATOM 0 HG13 VAL A 154 8.467 -10.909 2.853 1.00 61.30 H new ATOM 0 HG21 VAL A 154 5.547 -10.645 1.890 1.00 43.12 H new ATOM 0 HG22 VAL A 154 6.201 -9.769 3.295 1.00 43.12 H new ATOM 0 HG23 VAL A 154 5.431 -8.871 1.965 1.00 43.12 H new ATOM 1044 N SER A 155 10.548 -8.356 2.010 1.00 55.43 N ATOM 1045 CA SER A 155 11.891 -8.290 1.448 1.00 71.10 C ATOM 1046 C SER A 155 12.408 -9.686 1.110 1.00 13.44 C ATOM 1047 O SER A 155 12.122 -10.653 1.816 1.00 53.04 O ATOM 1048 CB SER A 155 12.844 -7.605 2.429 1.00 21.22 C ATOM 1049 OG SER A 155 13.562 -8.558 3.194 1.00 52.14 O ATOM 0 H SER A 155 10.520 -8.485 3.021 1.00 55.43 H new ATOM 0 HA SER A 155 11.845 -7.706 0.529 1.00 71.10 H new ATOM 0 HB2 SER A 155 13.543 -6.973 1.881 1.00 21.22 H new ATOM 0 HB3 SER A 155 12.279 -6.952 3.094 1.00 21.22 H new ATOM 0 HG SER A 155 14.165 -8.094 3.812 1.00 52.14 H new ATOM 1055 N SER A 156 13.171 -9.781 0.026 1.00 4.34 N ATOM 1056 CA SER A 156 13.725 -11.058 -0.408 1.00 50.11 C ATOM 1057 C SER A 156 15.119 -10.872 -1.001 1.00 13.25 C ATOM 1058 O SER A 156 15.385 -9.891 -1.693 1.00 63.13 O ATOM 1059 CB SER A 156 12.804 -11.713 -1.440 1.00 24.24 C ATOM 1060 OG SER A 156 11.553 -11.050 -1.500 1.00 44.45 O ATOM 0 H SER A 156 13.420 -8.990 -0.567 1.00 4.34 H new ATOM 0 HA SER A 156 13.803 -11.707 0.464 1.00 50.11 H new ATOM 0 HB2 SER A 156 13.278 -11.691 -2.421 1.00 24.24 H new ATOM 0 HB3 SER A 156 12.652 -12.761 -1.183 1.00 24.24 H new ATOM 0 HG SER A 156 10.983 -11.486 -2.167 1.00 44.45 H new ATOM 1066 N GLY A 157 16.006 -11.822 -0.720 1.00 51.05 N ATOM 1067 CA GLY A 157 17.362 -11.744 -1.231 1.00 63.52 C ATOM 1068 C GLY A 157 18.403 -11.943 -0.147 1.00 22.22 C ATOM 1069 O GLY A 157 18.078 -12.346 0.970 1.00 33.40 O ATOM 0 H GLY A 157 15.810 -12.643 -0.148 1.00 51.05 H new ATOM 0 HA2 GLY A 157 17.499 -12.499 -2.005 1.00 63.52 H new ATOM 0 HA3 GLY A 157 17.514 -10.773 -1.702 1.00 63.52 H new ATOM 1073 N LYS A 158 19.659 -11.662 -0.477 1.00 13.33 N ATOM 1074 CA LYS A 158 20.752 -11.812 0.476 1.00 25.03 C ATOM 1075 C LYS A 158 20.492 -10.993 1.737 1.00 71.54 C ATOM 1076 O LYS A 158 20.980 -11.326 2.816 1.00 1.05 O ATOM 1077 CB LYS A 158 22.075 -11.380 -0.161 1.00 35.31 C ATOM 1078 CG LYS A 158 22.395 -12.111 -1.453 1.00 34.21 C ATOM 1079 CD LYS A 158 23.869 -12.000 -1.806 1.00 71.10 C ATOM 1080 CE LYS A 158 24.202 -10.629 -2.376 1.00 63.31 C ATOM 1081 NZ LYS A 158 25.446 -10.069 -1.779 1.00 53.10 N ATOM 0 H LYS A 158 19.945 -11.329 -1.398 1.00 13.33 H new ATOM 0 HA LYS A 158 20.816 -12.864 0.754 1.00 25.03 H new ATOM 0 HB2 LYS A 158 22.041 -10.309 -0.358 1.00 35.31 H new ATOM 0 HB3 LYS A 158 22.883 -11.547 0.551 1.00 35.31 H new ATOM 0 HG2 LYS A 158 22.121 -13.162 -1.355 1.00 34.21 H new ATOM 0 HG3 LYS A 158 21.794 -11.699 -2.264 1.00 34.21 H new ATOM 0 HD2 LYS A 158 24.472 -12.182 -0.917 1.00 71.10 H new ATOM 0 HD3 LYS A 158 24.130 -12.770 -2.532 1.00 71.10 H new ATOM 0 HE2 LYS A 158 24.319 -10.704 -3.457 1.00 63.31 H new ATOM 0 HE3 LYS A 158 23.372 -9.947 -2.192 1.00 63.31 H new ATOM 0 HZ1 LYS A 158 25.639 -9.135 -2.193 1.00 53.10 H new ATOM 0 HZ2 LYS A 158 25.325 -9.974 -0.750 1.00 53.10 H new ATOM 0 HZ3 LYS A 158 26.243 -10.707 -1.976 1.00 53.10 H new ATOM 1095 N ARG A 159 19.718 -9.922 1.591 1.00 24.33 N ATOM 1096 CA ARG A 159 19.393 -9.057 2.719 1.00 2.53 C ATOM 1097 C ARG A 159 18.433 -7.949 2.294 1.00 3.10 C ATOM 1098 O ARG A 159 17.500 -7.609 3.021 1.00 14.31 O ATOM 1099 CB ARG A 159 20.667 -8.444 3.304 1.00 61.41 C ATOM 1100 CG ARG A 159 20.937 -8.859 4.742 1.00 50.31 C ATOM 1101 CD ARG A 159 22.428 -8.955 5.023 1.00 33.04 C ATOM 1102 NE ARG A 159 22.712 -9.018 6.454 1.00 2.02 N ATOM 1103 CZ ARG A 159 22.618 -10.130 7.174 1.00 70.24 C ATOM 1104 NH1 ARG A 159 22.249 -11.267 6.599 1.00 4.42 N ATOM 1105 NH2 ARG A 159 22.893 -10.108 8.472 1.00 61.01 N ATOM 0 H ARG A 159 19.305 -9.633 0.704 1.00 24.33 H new ATOM 0 HA ARG A 159 18.907 -9.665 3.482 1.00 2.53 H new ATOM 0 HB2 ARG A 159 21.517 -8.733 2.685 1.00 61.41 H new ATOM 0 HB3 ARG A 159 20.593 -7.358 3.256 1.00 61.41 H new ATOM 0 HG2 ARG A 159 20.483 -8.137 5.421 1.00 50.31 H new ATOM 0 HG3 ARG A 159 20.466 -9.822 4.939 1.00 50.31 H new ATOM 0 HD2 ARG A 159 22.833 -9.841 4.534 1.00 33.04 H new ATOM 0 HD3 ARG A 159 22.935 -8.092 4.590 1.00 33.04 H new ATOM 0 HE ARG A 159 22.998 -8.161 6.927 1.00 2.02 H new ATOM 0 HH11 ARG A 159 22.037 -11.289 5.602 1.00 4.42 H new ATOM 0 HH12 ARG A 159 22.178 -12.120 7.154 1.00 4.42 H new ATOM 0 HH21 ARG A 159 23.177 -9.236 8.918 1.00 61.01 H new ATOM 0 HH22 ARG A 159 22.820 -10.963 9.023 1.00 61.01 H new ATOM 1119 N LYS A 160 18.669 -7.389 1.112 1.00 32.13 N ATOM 1120 CA LYS A 160 17.826 -6.321 0.589 1.00 52.00 C ATOM 1121 C LYS A 160 17.904 -6.262 -0.933 1.00 73.20 C ATOM 1122 O LYS A 160 17.789 -5.192 -1.528 1.00 55.45 O ATOM 1123 CB LYS A 160 18.246 -4.975 1.184 1.00 52.55 C ATOM 1124 CG LYS A 160 17.724 -4.742 2.591 1.00 20.41 C ATOM 1125 CD LYS A 160 17.895 -3.294 3.018 1.00 43.04 C ATOM 1126 CE LYS A 160 16.746 -2.833 3.902 1.00 41.34 C ATOM 1127 NZ LYS A 160 16.803 -1.369 4.165 1.00 15.43 N ATOM 0 H LYS A 160 19.438 -7.658 0.498 1.00 32.13 H new ATOM 0 HA LYS A 160 16.796 -6.532 0.874 1.00 52.00 H new ATOM 0 HB2 LYS A 160 19.334 -4.916 1.195 1.00 52.55 H new ATOM 0 HB3 LYS A 160 17.890 -4.174 0.536 1.00 52.55 H new ATOM 0 HG2 LYS A 160 16.669 -5.014 2.638 1.00 20.41 H new ATOM 0 HG3 LYS A 160 18.252 -5.392 3.288 1.00 20.41 H new ATOM 0 HD2 LYS A 160 18.837 -3.181 3.555 1.00 43.04 H new ATOM 0 HD3 LYS A 160 17.954 -2.658 2.135 1.00 43.04 H new ATOM 0 HE2 LYS A 160 15.798 -3.080 3.424 1.00 41.34 H new ATOM 0 HE3 LYS A 160 16.776 -3.374 4.848 1.00 41.34 H new ATOM 0 HZ1 LYS A 160 16.004 -1.094 4.771 1.00 15.43 H new ATOM 0 HZ2 LYS A 160 17.696 -1.137 4.644 1.00 15.43 H new ATOM 0 HZ3 LYS A 160 16.749 -0.852 3.264 1.00 15.43 H new ATOM 1141 N GLU A 161 18.099 -7.421 -1.556 1.00 41.32 N ATOM 1142 CA GLU A 161 18.191 -7.499 -3.009 1.00 44.14 C ATOM 1143 C GLU A 161 16.952 -6.900 -3.666 1.00 55.51 C ATOM 1144 O GLU A 161 17.043 -5.935 -4.426 1.00 60.50 O ATOM 1145 CB GLU A 161 18.365 -8.953 -3.454 1.00 1.15 C ATOM 1146 CG GLU A 161 19.199 -9.109 -4.714 1.00 45.52 C ATOM 1147 CD GLU A 161 18.403 -8.846 -5.977 1.00 74.13 C ATOM 1148 OE1 GLU A 161 17.472 -9.627 -6.264 1.00 71.24 O ATOM 1149 OE2 GLU A 161 18.710 -7.859 -6.677 1.00 53.24 O ATOM 0 H GLU A 161 18.196 -8.317 -1.078 1.00 41.32 H new ATOM 0 HA GLU A 161 19.062 -6.923 -3.323 1.00 44.14 H new ATOM 0 HB2 GLU A 161 18.832 -9.517 -2.647 1.00 1.15 H new ATOM 0 HB3 GLU A 161 17.382 -9.392 -3.623 1.00 1.15 H new ATOM 0 HG2 GLU A 161 20.045 -8.423 -4.673 1.00 45.52 H new ATOM 0 HG3 GLU A 161 19.609 -10.118 -4.751 1.00 45.52 H new ATOM 1156 N GLY A 162 15.793 -7.479 -3.369 1.00 74.42 N ATOM 1157 CA GLY A 162 14.551 -6.990 -3.939 1.00 31.34 C ATOM 1158 C GLY A 162 13.392 -7.076 -2.965 1.00 1.14 C ATOM 1159 O GLY A 162 13.289 -8.032 -2.196 1.00 35.22 O ATOM 0 H GLY A 162 15.692 -8.278 -2.744 1.00 74.42 H new ATOM 0 HA2 GLY A 162 14.682 -5.954 -4.253 1.00 31.34 H new ATOM 0 HA3 GLY A 162 14.314 -7.566 -4.833 1.00 31.34 H new ATOM 1163 N ILE A 163 12.521 -6.073 -2.996 1.00 33.15 N ATOM 1164 CA ILE A 163 11.365 -6.039 -2.107 1.00 60.04 C ATOM 1165 C ILE A 163 10.072 -5.858 -2.895 1.00 63.03 C ATOM 1166 O ILE A 163 10.054 -5.193 -3.932 1.00 53.44 O ATOM 1167 CB ILE A 163 11.484 -4.907 -1.071 1.00 31.10 C ATOM 1168 CG1 ILE A 163 12.819 -5.003 -0.330 1.00 22.14 C ATOM 1169 CG2 ILE A 163 10.323 -4.962 -0.090 1.00 34.53 C ATOM 1170 CD1 ILE A 163 13.025 -3.905 0.690 1.00 20.21 C ATOM 0 H ILE A 163 12.593 -5.274 -3.626 1.00 33.15 H new ATOM 0 HA ILE A 163 11.340 -6.996 -1.585 1.00 60.04 H new ATOM 0 HB ILE A 163 11.447 -3.951 -1.594 1.00 31.10 H new ATOM 0 HG12 ILE A 163 12.878 -5.969 0.171 1.00 22.14 H new ATOM 0 HG13 ILE A 163 13.631 -4.970 -1.056 1.00 22.14 H new ATOM 0 HG21 ILE A 163 10.422 -4.155 0.636 1.00 34.53 H new ATOM 0 HG22 ILE A 163 9.384 -4.850 -0.631 1.00 34.53 H new ATOM 0 HG23 ILE A 163 10.331 -5.920 0.429 1.00 34.53 H new ATOM 0 HD11 ILE A 163 13.992 -4.037 1.176 1.00 20.21 H new ATOM 0 HD12 ILE A 163 12.998 -2.936 0.192 1.00 20.21 H new ATOM 0 HD13 ILE A 163 12.234 -3.950 1.438 1.00 20.21 H new ATOM 1182 N ILE A 164 8.993 -6.451 -2.396 1.00 52.33 N ATOM 1183 CA ILE A 164 7.695 -6.352 -3.052 1.00 65.23 C ATOM 1184 C ILE A 164 6.618 -5.896 -2.074 1.00 5.42 C ATOM 1185 O ILE A 164 6.563 -6.361 -0.934 1.00 55.45 O ATOM 1186 CB ILE A 164 7.273 -7.698 -3.671 1.00 43.33 C ATOM 1187 CG1 ILE A 164 8.407 -8.268 -4.527 1.00 14.34 C ATOM 1188 CG2 ILE A 164 6.011 -7.526 -4.502 1.00 15.12 C ATOM 1189 CD1 ILE A 164 8.098 -9.630 -5.109 1.00 2.21 C ATOM 0 H ILE A 164 8.992 -7.005 -1.540 1.00 52.33 H new ATOM 0 HA ILE A 164 7.799 -5.612 -3.846 1.00 65.23 H new ATOM 0 HB ILE A 164 7.061 -8.401 -2.866 1.00 43.33 H new ATOM 0 HG12 ILE A 164 8.622 -7.574 -5.340 1.00 14.34 H new ATOM 0 HG13 ILE A 164 9.310 -8.337 -3.920 1.00 14.34 H new ATOM 0 HG21 ILE A 164 5.725 -8.486 -4.933 1.00 15.12 H new ATOM 0 HG22 ILE A 164 5.205 -7.159 -3.867 1.00 15.12 H new ATOM 0 HG23 ILE A 164 6.197 -6.810 -5.302 1.00 15.12 H new ATOM 0 HD11 ILE A 164 8.945 -9.972 -5.704 1.00 2.21 H new ATOM 0 HD12 ILE A 164 7.912 -10.337 -4.301 1.00 2.21 H new ATOM 0 HD13 ILE A 164 7.214 -9.563 -5.743 1.00 2.21 H new ATOM 1201 N HIS A 165 5.763 -4.985 -2.526 1.00 43.30 N ATOM 1202 CA HIS A 165 4.685 -4.467 -1.691 1.00 51.41 C ATOM 1203 C HIS A 165 3.325 -4.739 -2.328 1.00 63.23 C ATOM 1204 O HIS A 165 3.134 -4.523 -3.526 1.00 31.45 O ATOM 1205 CB HIS A 165 4.864 -2.965 -1.464 1.00 52.32 C ATOM 1206 CG HIS A 165 6.288 -2.558 -1.247 1.00 13.53 C ATOM 1207 ND1 HIS A 165 6.960 -2.260 -0.110 1.00 23.05 N flip ATOM 1208 CD2 HIS A 165 7.195 -2.413 -2.276 1.00 34.31 C flip ATOM 1209 CE1 HIS A 165 8.248 -1.946 -0.468 1.00 41.42 C flip ATOM 1210 NE2 HIS A 165 8.364 -2.047 -1.780 1.00 62.32 N flip ATOM 0 H HIS A 165 5.795 -4.590 -3.466 1.00 43.30 H new ATOM 0 HA HIS A 165 4.725 -4.979 -0.730 1.00 51.41 H new ATOM 0 HB2 HIS A 165 4.468 -2.426 -2.325 1.00 52.32 H new ATOM 0 HB3 HIS A 165 4.273 -2.664 -0.599 1.00 52.32 H new ATOM 0 HD2 HIS A 165 6.983 -2.573 -3.323 1.00 34.31 H new ATOM 0 HE1 HIS A 165 9.038 -1.663 0.212 1.00 41.42 H new ATOM 0 HE2 HIS A 165 9.212 -1.872 -2.319 1.00 62.32 H new ATOM 1218 N THR A 166 2.384 -5.216 -1.521 1.00 31.14 N ATOM 1219 CA THR A 166 1.044 -5.521 -2.004 1.00 52.53 C ATOM 1220 C THR A 166 -0.016 -4.798 -1.181 1.00 11.11 C ATOM 1221 O THR A 166 -0.152 -5.035 0.020 1.00 33.10 O ATOM 1222 CB THR A 166 0.762 -7.034 -1.966 1.00 40.13 C ATOM 1223 OG1 THR A 166 1.818 -7.712 -1.277 1.00 45.11 O ATOM 1224 CG2 THR A 166 0.628 -7.595 -3.375 1.00 22.53 C ATOM 0 H THR A 166 2.526 -5.400 -0.528 1.00 31.14 H new ATOM 0 HA THR A 166 0.996 -5.176 -3.037 1.00 52.53 H new ATOM 0 HB THR A 166 -0.178 -7.193 -1.437 1.00 40.13 H new ATOM 0 HG1 THR A 166 1.630 -8.674 -1.256 1.00 45.11 H new ATOM 0 HG21 THR A 166 0.429 -8.665 -3.323 1.00 22.53 H new ATOM 0 HG22 THR A 166 -0.195 -7.097 -3.888 1.00 22.53 H new ATOM 0 HG23 THR A 166 1.554 -7.424 -3.924 1.00 22.53 H new ATOM 1232 N LEU A 167 -0.764 -3.915 -1.833 1.00 35.21 N ATOM 1233 CA LEU A 167 -1.814 -3.157 -1.160 1.00 13.31 C ATOM 1234 C LEU A 167 -2.996 -4.055 -0.810 1.00 70.42 C ATOM 1235 O LEU A 167 -3.472 -4.824 -1.647 1.00 22.12 O ATOM 1236 CB LEU A 167 -2.282 -2.000 -2.044 1.00 62.22 C ATOM 1237 CG LEU A 167 -3.513 -1.236 -1.555 1.00 44.30 C ATOM 1238 CD1 LEU A 167 -3.365 -0.870 -0.087 1.00 22.34 C ATOM 1239 CD2 LEU A 167 -3.737 0.011 -2.397 1.00 50.33 C ATOM 0 H LEU A 167 -0.663 -3.706 -2.826 1.00 35.21 H new ATOM 0 HA LEU A 167 -1.401 -2.755 -0.235 1.00 13.31 H new ATOM 0 HB2 LEU A 167 -1.459 -1.293 -2.149 1.00 62.22 H new ATOM 0 HB3 LEU A 167 -2.494 -2.392 -3.039 1.00 62.22 H new ATOM 0 HG LEU A 167 -4.384 -1.883 -1.662 1.00 44.30 H new ATOM 0 HD11 LEU A 167 -4.250 -0.327 0.244 1.00 22.34 H new ATOM 0 HD12 LEU A 167 -3.254 -1.778 0.505 1.00 22.34 H new ATOM 0 HD13 LEU A 167 -2.484 -0.242 0.044 1.00 22.34 H new ATOM 0 HD21 LEU A 167 -4.617 0.542 -2.034 1.00 50.33 H new ATOM 0 HD22 LEU A 167 -2.865 0.661 -2.323 1.00 50.33 H new ATOM 0 HD23 LEU A 167 -3.889 -0.275 -3.438 1.00 50.33 H new ATOM 1251 N ILE A 168 -3.466 -3.952 0.428 1.00 1.22 N ATOM 1252 CA ILE A 168 -4.594 -4.753 0.886 1.00 13.24 C ATOM 1253 C ILE A 168 -5.581 -3.907 1.684 1.00 11.53 C ATOM 1254 O ILE A 168 -5.248 -3.383 2.747 1.00 3.22 O ATOM 1255 CB ILE A 168 -4.129 -5.936 1.756 1.00 5.22 C ATOM 1256 CG1 ILE A 168 -3.094 -6.774 1.003 1.00 45.20 C ATOM 1257 CG2 ILE A 168 -5.317 -6.793 2.164 1.00 13.24 C ATOM 1258 CD1 ILE A 168 -2.798 -8.102 1.663 1.00 63.20 C ATOM 0 H ILE A 168 -3.083 -3.321 1.132 1.00 1.22 H new ATOM 0 HA ILE A 168 -5.088 -5.140 -0.005 1.00 13.24 H new ATOM 0 HB ILE A 168 -3.663 -5.543 2.660 1.00 5.22 H new ATOM 0 HG12 ILE A 168 -3.451 -6.953 -0.011 1.00 45.20 H new ATOM 0 HG13 ILE A 168 -2.168 -6.205 0.919 1.00 45.20 H new ATOM 0 HG21 ILE A 168 -4.972 -7.625 2.778 1.00 13.24 H new ATOM 0 HG22 ILE A 168 -6.023 -6.189 2.734 1.00 13.24 H new ATOM 0 HG23 ILE A 168 -5.809 -7.181 1.272 1.00 13.24 H new ATOM 0 HD11 ILE A 168 -2.056 -8.643 1.075 1.00 63.20 H new ATOM 0 HD12 ILE A 168 -2.411 -7.931 2.667 1.00 63.20 H new ATOM 0 HD13 ILE A 168 -3.713 -8.691 1.723 1.00 63.20 H new ATOM 1270 N VAL A 169 -6.798 -3.779 1.165 1.00 23.55 N ATOM 1271 CA VAL A 169 -7.835 -3.000 1.831 1.00 40.52 C ATOM 1272 C VAL A 169 -9.035 -3.870 2.185 1.00 24.13 C ATOM 1273 O VAL A 169 -9.577 -4.575 1.333 1.00 31.23 O ATOM 1274 CB VAL A 169 -8.308 -1.827 0.950 1.00 45.14 C ATOM 1275 CG1 VAL A 169 -9.206 -0.891 1.744 1.00 61.12 C ATOM 1276 CG2 VAL A 169 -7.115 -1.077 0.377 1.00 63.41 C ATOM 0 H VAL A 169 -7.090 -4.205 0.285 1.00 23.55 H new ATOM 0 HA VAL A 169 -7.395 -2.604 2.746 1.00 40.52 H new ATOM 0 HB VAL A 169 -8.888 -2.229 0.119 1.00 45.14 H new ATOM 0 HG11 VAL A 169 -9.530 -0.069 1.106 1.00 61.12 H new ATOM 0 HG12 VAL A 169 -10.078 -1.439 2.101 1.00 61.12 H new ATOM 0 HG13 VAL A 169 -8.654 -0.493 2.596 1.00 61.12 H new ATOM 0 HG21 VAL A 169 -7.467 -0.252 -0.242 1.00 63.41 H new ATOM 0 HG22 VAL A 169 -6.506 -0.685 1.192 1.00 63.41 H new ATOM 0 HG23 VAL A 169 -6.516 -1.756 -0.229 1.00 63.41 H new ATOM 1286 N ASP A 170 -9.445 -3.818 3.448 1.00 2.43 N ATOM 1287 CA ASP A 170 -10.582 -4.600 3.916 1.00 13.05 C ATOM 1288 C ASP A 170 -10.294 -6.094 3.809 1.00 44.10 C ATOM 1289 O ASP A 170 -11.186 -6.889 3.513 1.00 2.32 O ATOM 1290 CB ASP A 170 -11.834 -4.250 3.111 1.00 74.30 C ATOM 1291 CG ASP A 170 -13.067 -4.121 3.986 1.00 3.01 C ATOM 1292 OD1 ASP A 170 -13.133 -4.812 5.023 1.00 21.35 O ATOM 1293 OD2 ASP A 170 -13.966 -3.329 3.632 1.00 63.21 O ATOM 0 H ASP A 170 -9.006 -3.242 4.166 1.00 2.43 H new ATOM 0 HA ASP A 170 -10.754 -4.356 4.964 1.00 13.05 H new ATOM 0 HB2 ASP A 170 -11.670 -3.313 2.578 1.00 74.30 H new ATOM 0 HB3 ASP A 170 -12.005 -5.019 2.358 1.00 74.30 H new ATOM 1298 N ASN A 171 -9.042 -6.469 4.051 1.00 35.22 N ATOM 1299 CA ASN A 171 -8.636 -7.869 3.980 1.00 12.25 C ATOM 1300 C ASN A 171 -8.801 -8.412 2.564 1.00 2.22 C ATOM 1301 O ASN A 171 -9.280 -9.528 2.369 1.00 53.43 O ATOM 1302 CB ASN A 171 -9.458 -8.710 4.959 1.00 1.35 C ATOM 1303 CG ASN A 171 -9.790 -7.955 6.233 1.00 55.34 C ATOM 1304 OD1 ASN A 171 -10.960 -7.726 6.544 1.00 42.12 O ATOM 1305 ND2 ASN A 171 -8.761 -7.565 6.975 1.00 12.13 N ATOM 0 H ASN A 171 -8.291 -5.824 4.298 1.00 35.22 H new ATOM 0 HA ASN A 171 -7.583 -7.930 4.253 1.00 12.25 H new ATOM 0 HB2 ASN A 171 -10.383 -9.025 4.475 1.00 1.35 H new ATOM 0 HB3 ASN A 171 -8.905 -9.615 5.210 1.00 1.35 H new ATOM 0 HD21 ASN A 171 -8.923 -7.053 7.842 1.00 12.13 H new ATOM 0 HD22 ASN A 171 -7.809 -7.777 6.678 1.00 12.13 H new ATOM 1312 N ARG A 172 -8.398 -7.614 1.581 1.00 60.04 N ATOM 1313 CA ARG A 172 -8.501 -8.014 0.183 1.00 50.25 C ATOM 1314 C ARG A 172 -7.300 -7.515 -0.615 1.00 64.34 C ATOM 1315 O ARG A 172 -6.958 -6.334 -0.568 1.00 50.32 O ATOM 1316 CB ARG A 172 -9.793 -7.473 -0.432 1.00 34.41 C ATOM 1317 CG ARG A 172 -10.977 -8.416 -0.288 1.00 20.23 C ATOM 1318 CD ARG A 172 -12.112 -8.033 -1.224 1.00 50.00 C ATOM 1319 NE ARG A 172 -13.209 -8.997 -1.178 1.00 2.43 N ATOM 1320 CZ ARG A 172 -14.398 -8.783 -1.732 1.00 24.11 C ATOM 1321 NH1 ARG A 172 -14.641 -7.648 -2.371 1.00 11.12 N ATOM 1322 NH2 ARG A 172 -15.345 -9.708 -1.647 1.00 34.43 N ATOM 0 H ARG A 172 -7.997 -6.687 1.727 1.00 60.04 H new ATOM 0 HA ARG A 172 -8.516 -9.103 0.144 1.00 50.25 H new ATOM 0 HB2 ARG A 172 -10.038 -6.521 0.038 1.00 34.41 H new ATOM 0 HB3 ARG A 172 -9.626 -7.272 -1.490 1.00 34.41 H new ATOM 0 HG2 ARG A 172 -10.658 -9.437 -0.500 1.00 20.23 H new ATOM 0 HG3 ARG A 172 -11.333 -8.400 0.742 1.00 20.23 H new ATOM 0 HD2 ARG A 172 -12.486 -7.045 -0.955 1.00 50.00 H new ATOM 0 HD3 ARG A 172 -11.733 -7.963 -2.244 1.00 50.00 H new ATOM 0 HE ARG A 172 -13.054 -9.882 -0.695 1.00 2.43 H new ATOM 0 HH11 ARG A 172 -13.914 -6.935 -2.439 1.00 11.12 H new ATOM 0 HH12 ARG A 172 -15.555 -7.487 -2.795 1.00 11.12 H new ATOM 0 HH21 ARG A 172 -15.161 -10.583 -1.157 1.00 34.43 H new ATOM 0 HH22 ARG A 172 -16.258 -9.544 -2.072 1.00 34.43 H new ATOM 1336 N GLU A 173 -6.663 -8.424 -1.347 1.00 71.44 N ATOM 1337 CA GLU A 173 -5.499 -8.076 -2.153 1.00 62.05 C ATOM 1338 C GLU A 173 -5.867 -7.061 -3.231 1.00 11.11 C ATOM 1339 O GLU A 173 -6.980 -7.076 -3.760 1.00 24.52 O ATOM 1340 CB GLU A 173 -4.906 -9.329 -2.800 1.00 62.12 C ATOM 1341 CG GLU A 173 -3.597 -9.076 -3.530 1.00 61.33 C ATOM 1342 CD GLU A 173 -2.975 -10.350 -4.071 1.00 5.13 C ATOM 1343 OE1 GLU A 173 -3.536 -10.924 -5.027 1.00 24.31 O ATOM 1344 OE2 GLU A 173 -1.927 -10.772 -3.537 1.00 55.13 O ATOM 0 H GLU A 173 -6.933 -9.406 -1.398 1.00 71.44 H new ATOM 0 HA GLU A 173 -4.755 -7.628 -1.495 1.00 62.05 H new ATOM 0 HB2 GLU A 173 -4.743 -10.083 -2.030 1.00 62.12 H new ATOM 0 HB3 GLU A 173 -5.630 -9.742 -3.502 1.00 62.12 H new ATOM 0 HG2 GLU A 173 -3.772 -8.384 -4.353 1.00 61.33 H new ATOM 0 HG3 GLU A 173 -2.894 -8.593 -2.851 1.00 61.33 H new ATOM 1351 N ILE A 174 -4.927 -6.178 -3.551 1.00 62.32 N ATOM 1352 CA ILE A 174 -5.152 -5.155 -4.565 1.00 20.55 C ATOM 1353 C ILE A 174 -4.134 -5.268 -5.695 1.00 31.24 C ATOM 1354 O ILE A 174 -2.927 -5.355 -5.469 1.00 42.43 O ATOM 1355 CB ILE A 174 -5.079 -3.740 -3.963 1.00 30.42 C ATOM 1356 CG1 ILE A 174 -6.185 -3.547 -2.923 1.00 22.42 C ATOM 1357 CG2 ILE A 174 -5.188 -2.692 -5.059 1.00 52.13 C ATOM 1358 CD1 ILE A 174 -7.163 -2.450 -3.277 1.00 12.41 C ATOM 0 H ILE A 174 -4.002 -6.150 -3.122 1.00 62.32 H new ATOM 0 HA ILE A 174 -6.153 -5.320 -4.963 1.00 20.55 H new ATOM 0 HB ILE A 174 -4.115 -3.621 -3.468 1.00 30.42 H new ATOM 0 HG12 ILE A 174 -6.730 -4.484 -2.806 1.00 22.42 H new ATOM 0 HG13 ILE A 174 -5.730 -3.320 -1.959 1.00 22.42 H new ATOM 0 HG21 ILE A 174 -5.135 -1.697 -4.617 1.00 52.13 H new ATOM 0 HG22 ILE A 174 -4.369 -2.819 -5.767 1.00 52.13 H new ATOM 0 HG23 ILE A 174 -6.139 -2.808 -5.580 1.00 52.13 H new ATOM 0 HD11 ILE A 174 -7.919 -2.370 -2.495 1.00 12.41 H new ATOM 0 HD12 ILE A 174 -6.631 -1.503 -3.366 1.00 12.41 H new ATOM 0 HD13 ILE A 174 -7.646 -2.685 -4.226 1.00 12.41 H new ATOM 1370 N PRO A 175 -4.630 -5.266 -6.940 1.00 53.34 N ATOM 1371 CA PRO A 175 -3.782 -5.364 -8.131 1.00 70.14 C ATOM 1372 C PRO A 175 -2.949 -4.107 -8.355 1.00 55.11 C ATOM 1373 O PRO A 175 -3.406 -2.994 -8.095 1.00 74.33 O ATOM 1374 CB PRO A 175 -4.788 -5.550 -9.270 1.00 60.03 C ATOM 1375 CG PRO A 175 -6.046 -4.931 -8.768 1.00 14.44 C ATOM 1376 CD PRO A 175 -6.059 -5.165 -7.283 1.00 31.35 C ATOM 0 HA PRO A 175 -3.057 -6.174 -8.049 1.00 70.14 H new ATOM 0 HB2 PRO A 175 -4.445 -5.065 -10.184 1.00 60.03 H new ATOM 0 HB3 PRO A 175 -4.931 -6.605 -9.503 1.00 60.03 H new ATOM 0 HG2 PRO A 175 -6.074 -3.865 -8.995 1.00 14.44 H new ATOM 0 HG3 PRO A 175 -6.918 -5.381 -9.242 1.00 14.44 H new ATOM 0 HD2 PRO A 175 -6.543 -4.345 -6.751 1.00 31.35 H new ATOM 0 HD3 PRO A 175 -6.599 -6.076 -7.025 1.00 31.35 H new ATOM 1384 N GLU A 176 -1.725 -4.291 -8.840 1.00 71.50 N ATOM 1385 CA GLU A 176 -0.829 -3.170 -9.098 1.00 55.13 C ATOM 1386 C GLU A 176 -1.015 -2.642 -10.518 1.00 22.11 C ATOM 1387 O GLU A 176 -1.261 -3.408 -11.450 1.00 73.35 O ATOM 1388 CB GLU A 176 0.626 -3.591 -8.886 1.00 24.33 C ATOM 1389 CG GLU A 176 1.629 -2.490 -9.185 1.00 22.40 C ATOM 1390 CD GLU A 176 2.689 -2.357 -8.109 1.00 64.10 C ATOM 1391 OE1 GLU A 176 2.319 -2.210 -6.926 1.00 22.12 O ATOM 1392 OE2 GLU A 176 3.889 -2.401 -8.451 1.00 51.02 O ATOM 0 H GLU A 176 -1.331 -5.205 -9.062 1.00 71.50 H new ATOM 0 HA GLU A 176 -1.074 -2.373 -8.396 1.00 55.13 H new ATOM 0 HB2 GLU A 176 0.754 -3.917 -7.854 1.00 24.33 H new ATOM 0 HB3 GLU A 176 0.843 -4.450 -9.521 1.00 24.33 H new ATOM 0 HG2 GLU A 176 2.111 -2.693 -10.141 1.00 22.40 H new ATOM 0 HG3 GLU A 176 1.101 -1.542 -9.289 1.00 22.40 H new ATOM 1399 N LEU A 177 -0.893 -1.328 -10.675 1.00 34.21 N ATOM 1400 CA LEU A 177 -1.048 -0.696 -11.980 1.00 42.13 C ATOM 1401 C LEU A 177 -0.153 -1.365 -13.019 1.00 22.23 C ATOM 1402 O LEU A 177 -0.549 -1.549 -14.170 1.00 1.42 O ATOM 1403 CB LEU A 177 -0.717 0.794 -11.889 1.00 3.43 C ATOM 1404 CG LEU A 177 -1.393 1.697 -12.921 1.00 45.03 C ATOM 1405 CD1 LEU A 177 -0.937 1.335 -14.327 1.00 52.33 C ATOM 1406 CD2 LEU A 177 -2.907 1.597 -12.807 1.00 43.01 C ATOM 0 H LEU A 177 -0.687 -0.680 -9.915 1.00 34.21 H new ATOM 0 HA LEU A 177 -2.086 -0.813 -12.292 1.00 42.13 H new ATOM 0 HB2 LEU A 177 -0.990 1.146 -10.894 1.00 3.43 H new ATOM 0 HB3 LEU A 177 0.362 0.912 -11.984 1.00 3.43 H new ATOM 0 HG LEU A 177 -1.101 2.728 -12.720 1.00 45.03 H new ATOM 0 HD11 LEU A 177 -1.428 1.988 -15.048 1.00 52.33 H new ATOM 0 HD12 LEU A 177 0.143 1.459 -14.402 1.00 52.33 H new ATOM 0 HD13 LEU A 177 -1.199 0.298 -14.539 1.00 52.33 H new ATOM 0 HD21 LEU A 177 -3.371 2.246 -13.549 1.00 43.01 H new ATOM 0 HD22 LEU A 177 -3.218 0.567 -12.981 1.00 43.01 H new ATOM 0 HD23 LEU A 177 -3.218 1.906 -11.809 1.00 43.01 H new ATOM 1418 N THR A 178 1.056 -1.730 -12.603 1.00 61.43 N ATOM 1419 CA THR A 178 2.007 -2.380 -13.496 1.00 51.25 C ATOM 1420 C THR A 178 1.377 -3.585 -14.187 1.00 23.14 C ATOM 1421 O THR A 178 0.611 -4.330 -13.577 1.00 65.43 O ATOM 1422 CB THR A 178 3.267 -2.838 -12.738 1.00 70.42 C ATOM 1423 OG1 THR A 178 2.949 -3.939 -11.879 1.00 44.11 O ATOM 1424 CG2 THR A 178 3.848 -1.697 -11.916 1.00 72.23 C ATOM 0 H THR A 178 1.399 -1.586 -11.653 1.00 61.43 H new ATOM 0 HA THR A 178 2.292 -1.642 -14.246 1.00 51.25 H new ATOM 0 HB THR A 178 4.011 -3.153 -13.470 1.00 70.42 H new ATOM 0 HG1 THR A 178 3.756 -4.227 -11.403 1.00 44.11 H new ATOM 0 HG21 THR A 178 4.737 -2.044 -11.389 1.00 72.23 H new ATOM 0 HG22 THR A 178 4.116 -0.872 -12.577 1.00 72.23 H new ATOM 0 HG23 THR A 178 3.108 -1.356 -11.192 1.00 72.23 H new ATOM 1432 N GLN A 179 1.707 -3.769 -15.461 1.00 75.02 N ATOM 1433 CA GLN A 179 1.173 -4.885 -16.234 1.00 73.30 C ATOM 1434 C GLN A 179 -0.352 -4.860 -16.242 1.00 60.22 C ATOM 1435 O GLN A 179 -0.967 -3.793 -16.246 1.00 62.00 O ATOM 1436 CB GLN A 179 1.671 -6.213 -15.662 1.00 74.40 C ATOM 1437 CG GLN A 179 3.095 -6.555 -16.067 1.00 42.11 C ATOM 1438 CD GLN A 179 3.245 -6.752 -17.563 1.00 32.30 C ATOM 1439 OE1 GLN A 179 2.510 -7.527 -18.176 1.00 20.32 O ATOM 1440 NE2 GLN A 179 4.201 -6.050 -18.160 1.00 14.44 N ATOM 0 H GLN A 179 2.341 -3.161 -15.980 1.00 75.02 H new ATOM 0 HA GLN A 179 1.525 -4.786 -17.261 1.00 73.30 H new ATOM 0 HB2 GLN A 179 1.611 -6.176 -14.574 1.00 74.40 H new ATOM 0 HB3 GLN A 179 1.007 -7.012 -15.991 1.00 74.40 H new ATOM 0 HG2 GLN A 179 3.763 -5.758 -15.741 1.00 42.11 H new ATOM 0 HG3 GLN A 179 3.407 -7.463 -15.552 1.00 42.11 H new ATOM 0 HE21 GLN A 179 4.787 -5.419 -17.614 1.00 14.44 H new ATOM 0 HE22 GLN A 179 4.349 -6.142 -19.165 1.00 14.44 H new TER 1449 GLN A 179