USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 20:sc= -2.9! USER MOD Set 1.2: A 120 GLN : amide:sc= -5.55! C(o=-8.5!,f=-3.6!) USER MOD Set 2.1: A 106 GLN : amide:sc= -1.68! C(o=-1.1!,f=-5.6!) USER MOD Set 2.2: A 108 TYR OH : rot 76:sc= 0.614 USER MOD Set 3.1: A 57 HIS : no HD1:sc= -11.1! C(o=-10!,f=-18!) USER MOD Set 3.2: A 59 TYR OH : rot 123:sc= 0.61 USER MOD Set 4.1: A 20 TYR OH : rot -126:sc= 0.376 USER MOD Set 4.2: A 22 CYS SG : rot -108:sc= 1.01 USER MOD Set 4.3: A 24 CYS SG : rot 180:sc= 0 USER MOD Set 4.4: A 26 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.67 (180deg=-1.3!) USER MOD Single : A 8 SER OG : rot -170:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0424 USER MOD Single : A 14 ASN : amide:sc= -0.0589 X(o=-0.059,f=-0.079) USER MOD Single : A 16 GLN : amide:sc= -0.0779 K(o=-0.078,f=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -24:sc= 0.294! USER MOD Single : A 36 CYS SG : rot 37:sc= -2.23! USER MOD Single : A 37 ASN : amide:sc= -1.55! C(o=-1.5!,f=-9.2!) USER MOD Single : A 38 SER OG : rot 150:sc= -0.437 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.29) USER MOD Single : A 55 SER OG : rot -84:sc= 1.28 USER MOD Single : A 58 MET CE :methyl 160:sc= -0.0886 (180deg=-1.27!) USER MOD Single : A 63 GLN : amide:sc= -5.44! C(o=-5.4!,f=-7.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.1! K(o=-3.1!,f=-1.9) USER MOD Single : A 73 MET CE :methyl 180:sc= -0.0311 (180deg=-0.0311) USER MOD Single : A 76 ASN : amide:sc= -3.8! C(o=-3.8!,f=-16!) USER MOD Single : A 81 SER OG : rot -120:sc= -0.0571 USER MOD Single : A 82 CYS SG : rot -164:sc= 0.13 USER MOD Single : A 86 HIS : no HD1:sc= -0.0582 K(o=-0.058,f=-0.92) USER MOD Single : A 88 SER OG : rot -17:sc= 1.11 USER MOD Single : A 89 SER OG : rot 25:sc= 0.0652 USER MOD Single : A 92 GLN : amide:sc= -8.88! C(o=-8.9!,f=-6.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.85) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.187) USER MOD Single : A 104 ASN : amide:sc= -0.89 K(o=-0.89,f=-0.12) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -156:sc= 0.234 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.558 K(o=-0.56,f=-1.3) USER MOD Single : A 127 HIS : no HD1:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 128 SER OG : rot 72:sc= -2.47! USER MOD Single : A 129 CYS SG : rot 57:sc= -0.745! USER MOD Single : A 130 LYS NZ :NH3+ -151:sc= -0.0563 (180deg=-0.982) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.992 X(o=-0.99,f=-0.81) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.7!) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 153 LYS NZ :NH3+ -115:sc= -1.93 (180deg=-4.54!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 158 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.09) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= 0.0388 X(o=0.039,f=-0.12) USER MOD Single : A 171 SER OG : rot -144:sc= -0.707! USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.560 -12.101 1.093 1.00 0.52 N ATOM 51 CA GLY A 4 -15.982 -11.404 2.343 1.00 0.30 C ATOM 52 C GLY A 4 -14.698 -11.168 3.137 1.00 0.41 C ATOM 53 O GLY A 4 -14.216 -12.028 3.847 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.481 -10.462 2.117 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.688 -12.011 2.911 1.00 0.30 H new ATOM 57 N GLY A 5 -14.130 -10.000 2.984 1.00 0.01 N ATOM 58 CA GLY A 5 -12.855 -9.686 3.686 1.00 0.01 C ATOM 59 C GLY A 5 -13.102 -9.342 5.155 1.00 0.01 C ATOM 60 O GLY A 5 -14.118 -8.782 5.517 1.00 0.01 O ATOM 0 H GLY A 5 -14.498 -9.249 2.400 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.180 -10.539 3.618 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.361 -8.849 3.192 1.00 0.01 H new ATOM 64 N LYS A 6 -12.165 -9.676 6.003 1.00 0.00 N ATOM 65 CA LYS A 6 -12.309 -9.380 7.460 1.00 0.01 C ATOM 66 C LYS A 6 -10.920 -9.230 8.082 1.00 0.01 C ATOM 67 O LYS A 6 -10.015 -9.991 7.797 1.00 0.00 O ATOM 68 CB LYS A 6 -13.055 -10.518 8.159 1.00 0.02 C ATOM 69 CG LYS A 6 -13.449 -10.076 9.573 1.00 0.02 C ATOM 70 CD LYS A 6 -14.181 -11.219 10.302 1.00 0.02 C ATOM 71 CE LYS A 6 -15.673 -11.200 9.950 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.267 -9.897 10.369 1.00 0.02 N ATOM 0 H LYS A 6 -11.297 -10.146 5.746 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.875 -8.456 7.582 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.944 -10.788 7.590 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.425 -11.406 8.206 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.559 -9.788 10.133 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.092 -9.197 9.522 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.745 -12.178 10.021 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.052 -11.114 11.379 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.806 -11.345 8.878 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.186 -12.023 10.449 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.299 -9.996 10.451 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.872 -9.615 11.289 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.045 -9.170 9.659 1.00 0.02 H new ATOM 86 N ILE A 7 -10.754 -8.253 8.943 1.00 0.02 N ATOM 87 CA ILE A 7 -9.434 -8.030 9.615 1.00 0.00 C ATOM 88 C ILE A 7 -9.652 -7.899 11.127 1.00 0.02 C ATOM 89 O ILE A 7 -10.598 -7.281 11.578 1.00 0.01 O ATOM 90 CB ILE A 7 -8.770 -6.780 9.038 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.521 -6.437 9.856 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.745 -5.604 9.073 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.674 -5.412 9.094 1.00 0.02 C ATOM 0 H ILE A 7 -11.485 -7.594 9.211 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.772 -8.877 9.435 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.485 -6.974 8.004 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.809 -6.036 10.828 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.938 -7.338 10.044 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.262 -4.719 8.660 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.628 -5.846 8.481 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.042 -5.408 10.103 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.786 -5.169 9.677 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.374 -5.830 8.133 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.259 -4.507 8.929 1.00 0.02 H new ATOM 105 N SER A 8 -8.770 -8.476 11.910 1.00 0.02 N ATOM 106 CA SER A 8 -8.891 -8.397 13.403 1.00 0.02 C ATOM 107 C SER A 8 -7.623 -7.776 13.996 1.00 0.01 C ATOM 108 O SER A 8 -6.524 -8.188 13.694 1.00 0.02 O ATOM 109 CB SER A 8 -9.090 -9.799 13.987 1.00 0.30 C ATOM 110 OG SER A 8 -9.947 -10.541 13.128 1.00 0.39 O ATOM 0 H SER A 8 -7.964 -9.003 11.575 1.00 0.02 H new ATOM 0 HA SER A 8 -9.751 -7.776 13.654 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.130 -10.304 14.089 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.523 -9.733 14.985 1.00 0.30 H new ATOM 0 HG SER A 8 -10.207 -11.377 13.568 1.00 0.39 H new ATOM 116 N PHE A 9 -7.782 -6.795 14.856 1.00 0.02 N ATOM 117 CA PHE A 9 -6.604 -6.135 15.510 1.00 0.01 C ATOM 118 C PHE A 9 -6.590 -6.508 16.999 1.00 0.01 C ATOM 119 O PHE A 9 -7.628 -6.573 17.625 1.00 0.02 O ATOM 120 CB PHE A 9 -6.730 -4.613 15.380 1.00 0.02 C ATOM 121 CG PHE A 9 -7.075 -4.226 13.959 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.385 -4.377 13.491 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.089 -3.697 13.118 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.710 -4.000 12.182 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.412 -3.323 11.807 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.724 -3.475 11.339 1.00 0.02 C ATOM 0 H PHE A 9 -8.688 -6.420 15.135 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.684 -6.467 15.029 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.500 -4.247 16.059 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.794 -4.139 15.675 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.146 -4.785 14.140 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.079 -3.577 13.480 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.722 -4.114 11.823 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.650 -2.918 11.157 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.974 -3.187 10.329 1.00 0.02 H new ATOM 136 N TYR A 10 -5.431 -6.766 17.568 1.00 0.02 N ATOM 137 CA TYR A 10 -5.356 -7.154 19.024 1.00 0.01 C ATOM 138 C TYR A 10 -4.452 -6.175 19.777 1.00 0.02 C ATOM 139 O TYR A 10 -3.429 -5.751 19.278 1.00 0.01 O ATOM 140 CB TYR A 10 -4.766 -8.562 19.147 1.00 0.02 C ATOM 141 CG TYR A 10 -5.480 -9.513 18.211 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.261 -9.438 16.830 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.357 -10.477 18.726 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.919 -10.321 15.966 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.015 -11.360 17.863 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.796 -11.283 16.482 1.00 0.00 C ATOM 147 OH TYR A 10 -7.444 -12.153 15.630 1.00 0.02 O ATOM 0 H TYR A 10 -4.532 -6.725 17.089 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.359 -7.130 19.449 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.702 -8.540 18.912 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.858 -8.914 20.174 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.583 -8.698 16.431 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.525 -10.538 19.791 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.750 -10.260 14.901 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.692 -12.101 18.262 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.014 -12.756 16.150 1.00 0.02 H new ATOM 157 N GLU A 11 -4.834 -5.785 20.970 1.00 0.00 N ATOM 158 CA GLU A 11 -4.009 -4.802 21.735 1.00 0.02 C ATOM 159 C GLU A 11 -2.673 -5.402 22.179 1.00 0.03 C ATOM 160 O GLU A 11 -1.707 -4.681 22.334 1.00 0.03 O ATOM 161 CB GLU A 11 -4.778 -4.350 22.985 1.00 0.00 C ATOM 162 CG GLU A 11 -5.884 -3.375 22.591 1.00 0.00 C ATOM 163 CD GLU A 11 -6.611 -2.887 23.846 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.712 -3.659 24.785 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.057 -1.751 23.844 1.00 0.01 O ATOM 0 H GLU A 11 -5.679 -6.105 21.444 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.808 -3.959 21.074 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.207 -5.215 23.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.096 -3.874 23.690 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.460 -2.528 22.052 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.589 -3.862 21.917 1.00 0.00 H new ATOM 172 N ASP A 12 -2.588 -6.697 22.393 1.00 0.02 N ATOM 173 CA ASP A 12 -1.289 -7.300 22.836 1.00 0.01 C ATOM 174 C ASP A 12 -0.748 -8.244 21.763 1.00 0.02 C ATOM 175 O ASP A 12 -1.406 -8.564 20.793 1.00 0.02 O ATOM 176 CB ASP A 12 -1.493 -8.089 24.132 1.00 0.01 C ATOM 177 CG ASP A 12 -1.852 -7.125 25.263 1.00 0.01 C ATOM 178 OD1 ASP A 12 -0.943 -6.534 25.823 1.00 0.02 O ATOM 179 OD2 ASP A 12 -3.031 -6.991 25.548 1.00 0.03 O ATOM 0 H ASP A 12 -3.357 -7.357 22.281 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.576 -6.493 23.003 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.286 -8.825 24.001 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.586 -8.639 24.382 1.00 0.01 H new ATOM 184 N ARG A 13 0.463 -8.676 21.948 1.00 0.02 N ATOM 185 CA ARG A 13 1.113 -9.593 20.972 1.00 0.02 C ATOM 186 C ARG A 13 0.539 -11.008 21.106 1.00 0.00 C ATOM 187 O ARG A 13 0.010 -11.388 22.132 1.00 0.02 O ATOM 188 CB ARG A 13 2.610 -9.620 21.276 1.00 0.00 C ATOM 189 CG ARG A 13 3.223 -8.261 20.930 1.00 0.01 C ATOM 190 CD ARG A 13 4.647 -8.186 21.483 1.00 0.02 C ATOM 191 NE ARG A 13 5.359 -9.467 21.213 1.00 0.03 N ATOM 192 CZ ARG A 13 6.659 -9.527 21.313 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.335 -8.463 21.649 1.00 0.02 N ATOM 194 NH2 ARG A 13 7.281 -10.652 21.082 1.00 0.02 N ATOM 0 H ARG A 13 1.043 -8.429 22.750 1.00 0.02 H new ATOM 0 HA ARG A 13 0.931 -9.243 19.956 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.774 -9.848 22.329 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.095 -10.408 20.700 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.234 -8.120 19.849 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.616 -7.459 21.350 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.183 -7.357 21.022 1.00 0.02 H new ATOM 0 HD3 ARG A 13 4.621 -7.992 22.555 1.00 0.02 H new ATOM 0 HE ARG A 13 4.830 -10.298 20.950 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.848 -7.586 21.833 1.00 0.02 H new ATOM 0 HH12 ARG A 13 8.351 -8.508 21.728 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.751 -11.484 20.823 1.00 0.02 H new ATOM 0 HH22 ARG A 13 8.297 -10.698 21.160 1.00 0.02 H new ATOM 208 N ASN A 14 0.662 -11.787 20.062 1.00 0.02 N ATOM 209 CA ASN A 14 0.159 -13.194 20.073 1.00 0.02 C ATOM 210 C ASN A 14 -1.371 -13.240 20.174 1.00 0.02 C ATOM 211 O ASN A 14 -1.952 -14.146 20.738 1.00 0.02 O ATOM 212 CB ASN A 14 0.804 -13.949 21.242 1.00 0.26 C ATOM 213 CG ASN A 14 0.724 -15.460 20.992 1.00 0.12 C ATOM 214 OD1 ASN A 14 1.302 -15.963 20.050 1.00 0.74 O ATOM 215 ND2 ASN A 14 0.027 -16.206 21.803 1.00 0.46 N ATOM 0 H ASN A 14 1.098 -11.501 19.185 1.00 0.02 H new ATOM 0 HA ASN A 14 0.434 -13.674 19.134 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.845 -13.644 21.354 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.296 -13.698 22.173 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -0.033 -17.212 21.646 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -0.459 -15.783 22.594 1.00 0.46 H new ATOM 222 N PHE A 15 -2.016 -12.274 19.578 1.00 0.02 N ATOM 223 CA PHE A 15 -3.514 -12.233 19.560 1.00 0.02 C ATOM 224 C PHE A 15 -4.092 -12.266 20.979 1.00 0.00 C ATOM 225 O PHE A 15 -5.069 -12.937 21.247 1.00 0.02 O ATOM 226 CB PHE A 15 -4.046 -13.439 18.756 1.00 0.02 C ATOM 227 CG PHE A 15 -3.025 -13.859 17.719 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.883 -13.123 16.538 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.222 -14.986 17.942 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.940 -13.511 15.580 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.279 -15.374 16.983 1.00 0.02 C ATOM 232 CZ PHE A 15 -1.137 -14.637 15.803 1.00 0.02 C ATOM 0 H PHE A 15 -1.565 -11.498 19.094 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.826 -11.300 19.091 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -4.257 -14.271 19.428 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.985 -13.176 18.269 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -3.502 -12.255 16.366 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -2.331 -15.555 18.854 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -1.831 -12.942 14.668 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.661 -16.243 17.154 1.00 0.02 H new ATOM 0 HZ PHE A 15 -0.408 -14.936 15.064 1.00 0.02 H new ATOM 242 N GLN A 16 -3.500 -11.527 21.879 1.00 0.02 N ATOM 243 CA GLN A 16 -4.002 -11.474 23.287 1.00 0.02 C ATOM 244 C GLN A 16 -4.529 -10.064 23.565 1.00 0.02 C ATOM 245 O GLN A 16 -4.277 -9.140 22.815 1.00 0.02 O ATOM 246 CB GLN A 16 -2.847 -11.774 24.247 1.00 0.02 C ATOM 247 CG GLN A 16 -2.434 -13.241 24.109 1.00 0.00 C ATOM 248 CD GLN A 16 -1.066 -13.450 24.761 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.333 -12.506 24.975 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.688 -14.656 25.087 1.00 0.02 N ATOM 0 H GLN A 16 -2.679 -10.950 21.698 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.795 -12.208 23.428 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -2.000 -11.125 24.027 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.150 -11.566 25.273 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.176 -13.885 24.582 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.393 -13.521 23.056 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.303 -15.449 24.907 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.223 -14.805 25.521 1.00 0.02 H new ATOM 259 N GLY A 17 -5.254 -9.885 24.637 1.00 0.03 N ATOM 260 CA GLY A 17 -5.780 -8.526 24.963 1.00 0.03 C ATOM 261 C GLY A 17 -7.128 -8.277 24.277 1.00 0.02 C ATOM 262 O GLY A 17 -7.751 -9.179 23.754 1.00 0.02 O ATOM 0 H GLY A 17 -5.505 -10.619 25.300 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.894 -8.426 26.042 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.062 -7.769 24.647 1.00 0.03 H new ATOM 266 N ARG A 18 -7.571 -7.050 24.275 1.00 0.00 N ATOM 267 CA ARG A 18 -8.868 -6.709 23.623 1.00 0.02 C ATOM 268 C ARG A 18 -8.725 -6.856 22.108 1.00 0.02 C ATOM 269 O ARG A 18 -7.695 -6.545 21.540 1.00 0.02 O ATOM 270 CB ARG A 18 -9.235 -5.266 23.967 1.00 0.79 C ATOM 271 CG ARG A 18 -10.651 -4.963 23.475 1.00 1.49 C ATOM 272 CD ARG A 18 -11.124 -3.631 24.065 1.00 1.42 C ATOM 273 NE ARG A 18 -10.153 -2.555 23.715 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.488 -1.303 23.857 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.670 -0.994 24.315 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.638 -0.361 23.545 1.00 2.76 N ATOM 0 H ARG A 18 -7.085 -6.261 24.701 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.651 -7.379 23.979 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.173 -5.112 25.044 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.525 -4.580 23.506 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.667 -4.916 22.386 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.329 -5.764 23.769 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -12.113 -3.382 23.680 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.216 -3.714 25.148 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.227 -2.798 23.364 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.330 -1.731 24.561 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.934 -0.015 24.427 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.713 -0.605 23.191 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.899 0.619 23.656 1.00 2.76 H new ATOM 290 N ARG A 19 -9.752 -7.345 21.452 1.00 0.02 N ATOM 291 CA ARG A 19 -9.694 -7.542 19.969 1.00 0.02 C ATOM 292 C ARG A 19 -10.807 -6.746 19.283 1.00 0.02 C ATOM 293 O ARG A 19 -11.881 -6.555 19.820 1.00 0.02 O ATOM 294 CB ARG A 19 -9.893 -9.029 19.661 1.00 0.85 C ATOM 295 CG ARG A 19 -9.576 -9.302 18.186 1.00 1.31 C ATOM 296 CD ARG A 19 -10.046 -10.710 17.802 1.00 1.34 C ATOM 297 NE ARG A 19 -11.497 -10.675 17.474 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.040 -11.664 16.821 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.309 -12.681 16.451 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.312 -11.635 16.534 1.00 1.89 N ATOM 0 H ARG A 19 -10.634 -7.618 21.885 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.728 -7.198 19.601 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.246 -9.631 20.299 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.920 -9.321 19.882 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.068 -8.561 17.556 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.504 -9.207 18.012 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.477 -11.074 16.946 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.864 -11.403 18.624 1.00 1.34 H new ATOM 0 HE ARG A 19 -12.066 -9.878 17.760 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.314 -12.701 16.673 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.733 -13.455 15.940 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.881 -10.839 16.820 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -13.737 -12.409 16.023 1.00 1.89 H new ATOM 314 N TYR A 20 -10.554 -6.310 18.075 1.00 0.02 N ATOM 315 CA TYR A 20 -11.575 -5.550 17.291 1.00 0.02 C ATOM 316 C TYR A 20 -11.644 -6.161 15.887 1.00 0.02 C ATOM 317 O TYR A 20 -10.639 -6.318 15.225 1.00 0.02 O ATOM 318 CB TYR A 20 -11.174 -4.072 17.202 1.00 0.02 C ATOM 319 CG TYR A 20 -12.016 -3.377 16.150 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.403 -3.285 16.318 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.412 -2.838 15.005 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.185 -2.655 15.343 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.195 -2.207 14.032 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.582 -2.115 14.201 1.00 0.02 C ATOM 325 OH TYR A 20 -14.354 -1.493 13.239 1.00 0.01 O ATOM 0 H TYR A 20 -9.667 -6.451 17.591 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.548 -5.611 17.778 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.312 -3.589 18.169 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.117 -3.986 16.951 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.869 -3.700 17.199 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.342 -2.910 14.874 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.255 -2.585 15.472 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.730 -1.791 13.151 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.170 -1.893 12.363 1.00 0.01 H new ATOM 335 N ASP A 21 -12.822 -6.518 15.440 1.00 0.01 N ATOM 336 CA ASP A 21 -12.983 -7.140 14.085 1.00 0.02 C ATOM 337 C ASP A 21 -13.740 -6.179 13.167 1.00 0.00 C ATOM 338 O ASP A 21 -14.704 -5.556 13.565 1.00 0.01 O ATOM 339 CB ASP A 21 -13.786 -8.432 14.231 1.00 0.12 C ATOM 340 CG ASP A 21 -15.130 -8.124 14.892 1.00 0.41 C ATOM 341 OD1 ASP A 21 -16.071 -7.841 14.170 1.00 0.56 O ATOM 342 OD2 ASP A 21 -15.195 -8.173 16.109 1.00 1.12 O ATOM 0 H ASP A 21 -13.691 -6.404 15.961 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.003 -7.352 13.657 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.945 -8.887 13.253 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.230 -9.153 14.831 1.00 0.12 H new ATOM 347 N CYS A 22 -13.298 -6.052 11.938 1.00 0.01 N ATOM 348 CA CYS A 22 -13.975 -5.124 10.974 1.00 0.00 C ATOM 349 C CYS A 22 -14.233 -5.852 9.653 1.00 0.02 C ATOM 350 O CYS A 22 -13.403 -6.596 9.164 1.00 0.01 O ATOM 351 CB CYS A 22 -13.074 -3.910 10.738 1.00 0.00 C ATOM 352 SG CYS A 22 -14.041 -2.582 9.979 1.00 0.02 S ATOM 0 H CYS A 22 -12.494 -6.553 11.559 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.929 -4.794 11.384 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.648 -3.571 11.682 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.240 -4.183 10.091 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.694 -2.450 8.733 1.00 0.02 H new ATOM 358 N ASP A 23 -15.394 -5.643 9.077 1.00 0.01 N ATOM 359 CA ASP A 23 -15.752 -6.315 7.786 1.00 0.02 C ATOM 360 C ASP A 23 -15.941 -5.260 6.696 1.00 0.00 C ATOM 361 O ASP A 23 -16.401 -5.550 5.610 1.00 0.02 O ATOM 362 CB ASP A 23 -17.057 -7.097 7.967 1.00 0.16 C ATOM 363 CG ASP A 23 -17.252 -8.048 6.785 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.584 -9.067 6.756 1.00 0.20 O ATOM 365 OD2 ASP A 23 -18.066 -7.739 5.930 1.00 0.17 O ATOM 0 H ASP A 23 -16.117 -5.028 9.451 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.952 -6.997 7.497 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.029 -7.660 8.900 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.899 -6.408 8.036 1.00 0.16 H new ATOM 370 N CYS A 24 -15.571 -4.039 6.972 1.00 0.01 N ATOM 371 CA CYS A 24 -15.710 -2.963 5.953 1.00 0.01 C ATOM 372 C CYS A 24 -14.727 -1.844 6.302 1.00 0.01 C ATOM 373 O CYS A 24 -14.076 -1.888 7.326 1.00 0.01 O ATOM 374 CB CYS A 24 -17.141 -2.420 5.968 1.00 0.62 C ATOM 375 SG CYS A 24 -17.619 -2.042 7.672 1.00 1.23 S ATOM 0 H CYS A 24 -15.177 -3.740 7.864 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.496 -3.355 4.959 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.209 -1.523 5.352 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.825 -3.153 5.540 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.833 -1.578 7.689 1.00 1.23 H new ATOM 381 N ASP A 25 -14.598 -0.844 5.474 1.00 0.02 N ATOM 382 CA ASP A 25 -13.642 0.254 5.788 1.00 0.01 C ATOM 383 C ASP A 25 -14.042 0.945 7.091 1.00 0.02 C ATOM 384 O ASP A 25 -15.210 1.121 7.382 1.00 0.00 O ATOM 385 CB ASP A 25 -13.667 1.282 4.655 1.00 0.01 C ATOM 386 CG ASP A 25 -13.034 0.681 3.398 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.943 -0.533 3.327 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.648 1.446 2.529 1.00 0.01 O ATOM 0 H ASP A 25 -15.110 -0.740 4.598 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.642 -0.166 5.895 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.694 1.584 4.448 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.125 2.179 4.953 1.00 0.01 H new ATOM 393 N CYS A 26 -13.071 1.365 7.866 1.00 0.01 N ATOM 394 CA CYS A 26 -13.365 2.082 9.147 1.00 0.01 C ATOM 395 C CYS A 26 -12.494 3.339 9.210 1.00 0.01 C ATOM 396 O CYS A 26 -11.281 3.264 9.208 1.00 0.01 O ATOM 397 CB CYS A 26 -13.057 1.171 10.337 1.00 0.01 C ATOM 398 SG CYS A 26 -11.406 0.456 10.138 1.00 0.02 S ATOM 0 H CYS A 26 -12.079 1.241 7.664 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.419 2.358 9.187 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.110 1.738 11.266 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.802 0.379 10.405 1.00 0.01 H new ATOM 0 HG CYS A 26 -11.143 -0.317 11.150 1.00 0.02 H new ATOM 404 N ALA A 27 -13.103 4.498 9.224 1.00 0.01 N ATOM 405 CA ALA A 27 -12.307 5.759 9.239 1.00 0.01 C ATOM 406 C ALA A 27 -11.745 6.025 10.634 1.00 0.01 C ATOM 407 O ALA A 27 -10.754 6.708 10.793 1.00 0.02 O ATOM 408 CB ALA A 27 -13.199 6.927 8.814 1.00 0.24 C ATOM 0 H ALA A 27 -14.115 4.624 9.226 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.474 5.657 8.543 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.619 7.850 8.824 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.578 6.748 7.808 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.036 7.016 9.507 1.00 0.24 H new ATOM 414 N ASP A 28 -12.368 5.494 11.648 1.00 0.01 N ATOM 415 CA ASP A 28 -11.867 5.712 13.037 1.00 0.02 C ATOM 416 C ASP A 28 -12.314 4.536 13.904 1.00 0.01 C ATOM 417 O ASP A 28 -13.448 4.470 14.340 1.00 0.02 O ATOM 418 CB ASP A 28 -12.446 7.013 13.596 1.00 0.67 C ATOM 419 CG ASP A 28 -11.755 7.351 14.919 1.00 0.90 C ATOM 420 OD1 ASP A 28 -11.561 6.445 15.712 1.00 1.14 O ATOM 421 OD2 ASP A 28 -11.431 8.510 15.114 1.00 0.87 O ATOM 0 H ASP A 28 -13.206 4.916 11.576 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.779 5.783 13.035 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.304 7.824 12.881 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.520 6.909 13.750 1.00 0.67 H new ATOM 426 N PHE A 29 -11.425 3.605 14.155 1.00 0.02 N ATOM 427 CA PHE A 29 -11.774 2.412 14.997 1.00 0.02 C ATOM 428 C PHE A 29 -11.117 2.529 16.378 1.00 0.00 C ATOM 429 O PHE A 29 -11.109 1.606 17.173 1.00 0.02 O ATOM 430 CB PHE A 29 -11.344 1.125 14.275 1.00 2.87 C ATOM 431 CG PHE A 29 -9.866 0.871 14.447 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.940 1.564 13.660 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.425 -0.069 15.384 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.573 1.317 13.812 1.00 5.75 C ATOM 435 CE2 PHE A 29 -8.059 -0.319 15.535 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.132 0.374 14.750 1.00 6.37 C ATOM 0 H PHE A 29 -10.465 3.619 13.811 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.853 2.373 15.146 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.909 0.279 14.666 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.581 1.203 13.214 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.281 2.289 12.936 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -10.141 -0.602 15.991 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -6.857 1.853 13.207 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.719 -1.047 16.257 1.00 5.85 H new ATOM 0 HZ PHE A 29 -6.076 0.182 14.867 1.00 6.37 H new ATOM 446 N ARG A 30 -10.539 3.665 16.649 1.00 0.01 N ATOM 447 CA ARG A 30 -9.858 3.878 17.953 1.00 0.00 C ATOM 448 C ARG A 30 -10.848 3.708 19.109 1.00 0.01 C ATOM 449 O ARG A 30 -10.455 3.469 20.233 1.00 0.02 O ATOM 450 CB ARG A 30 -9.266 5.288 18.000 1.00 0.32 C ATOM 451 CG ARG A 30 -8.108 5.391 17.000 1.00 0.86 C ATOM 452 CD ARG A 30 -7.317 6.679 17.243 1.00 1.62 C ATOM 453 NE ARG A 30 -6.037 6.616 16.481 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.335 7.698 16.298 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.746 8.835 16.796 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.222 7.647 15.618 1.00 3.02 N ATOM 0 H ARG A 30 -10.510 4.463 16.015 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.063 3.139 18.055 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.033 6.024 17.761 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.912 5.512 19.006 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.451 4.527 17.102 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.495 5.379 15.981 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.900 7.544 16.927 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.116 6.802 18.307 1.00 1.62 H new ATOM 0 HE ARG A 30 -5.711 5.726 16.103 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.616 8.874 17.327 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.197 9.683 16.653 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -3.902 6.760 15.230 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.673 8.494 15.475 1.00 3.02 H new ATOM 470 N SER A 31 -12.126 3.838 18.857 1.00 0.02 N ATOM 471 CA SER A 31 -13.123 3.693 19.957 1.00 0.02 C ATOM 472 C SER A 31 -13.280 2.217 20.325 1.00 0.01 C ATOM 473 O SER A 31 -13.812 1.879 21.363 1.00 0.02 O ATOM 474 CB SER A 31 -14.471 4.244 19.493 1.00 0.37 C ATOM 475 OG SER A 31 -14.283 5.545 18.950 1.00 0.88 O ATOM 0 H SER A 31 -12.520 4.038 17.938 1.00 0.02 H new ATOM 0 HA SER A 31 -12.778 4.247 20.830 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.909 3.584 18.744 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.169 4.283 20.330 1.00 0.37 H new ATOM 0 HG SER A 31 -15.145 5.902 18.649 1.00 0.88 H new ATOM 481 N TYR A 32 -12.832 1.338 19.469 1.00 0.01 N ATOM 482 CA TYR A 32 -12.960 -0.126 19.747 1.00 0.01 C ATOM 483 C TYR A 32 -11.611 -0.665 20.214 1.00 0.02 C ATOM 484 O TYR A 32 -11.527 -1.695 20.854 1.00 0.02 O ATOM 485 CB TYR A 32 -13.363 -0.844 18.458 1.00 0.02 C ATOM 486 CG TYR A 32 -14.730 -0.371 18.016 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.859 -0.698 18.776 1.00 0.01 C ATOM 488 CD2 TYR A 32 -14.868 0.389 16.847 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.127 -0.266 18.366 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.134 0.822 16.440 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.265 0.494 17.198 1.00 0.02 C ATOM 492 OH TYR A 32 -18.514 0.919 16.795 1.00 0.02 O ATOM 0 H TYR A 32 -12.380 1.570 18.584 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.713 -0.293 20.517 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.629 -0.647 17.676 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.375 -1.922 18.620 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.753 -1.283 19.678 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -13.997 0.640 16.260 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.999 -0.519 18.951 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.240 1.410 15.540 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.432 1.435 15.966 1.00 0.02 H new ATOM 502 N LEU A 33 -10.553 0.026 19.891 1.00 0.02 N ATOM 503 CA LEU A 33 -9.194 -0.438 20.308 1.00 0.02 C ATOM 504 C LEU A 33 -8.284 0.787 20.492 1.00 0.02 C ATOM 505 O LEU A 33 -8.204 1.655 19.646 1.00 0.02 O ATOM 506 CB LEU A 33 -8.623 -1.356 19.202 1.00 1.66 C ATOM 507 CG LEU A 33 -7.839 -2.528 19.828 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.789 -3.451 20.629 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.141 -3.338 18.720 1.00 2.80 C ATOM 0 H LEU A 33 -10.568 0.894 19.355 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.250 -0.989 21.247 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.435 -1.741 18.585 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -7.969 -0.782 18.546 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.091 -2.122 20.508 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.218 -4.272 21.063 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.266 -2.879 21.425 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.553 -3.853 19.963 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.589 -4.165 19.167 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.888 -3.731 18.031 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.451 -2.692 18.177 1.00 2.80 H new ATOM 521 N SER A 34 -7.619 0.856 21.618 1.00 0.02 N ATOM 522 CA SER A 34 -6.728 2.020 21.904 1.00 0.02 C ATOM 523 C SER A 34 -5.324 1.793 21.334 1.00 0.00 C ATOM 524 O SER A 34 -4.533 2.707 21.251 1.00 0.01 O ATOM 525 CB SER A 34 -6.630 2.209 23.418 1.00 0.02 C ATOM 526 OG SER A 34 -5.656 3.204 23.702 1.00 0.02 O ATOM 0 H SER A 34 -7.656 0.152 22.355 1.00 0.02 H new ATOM 0 HA SER A 34 -7.152 2.907 21.433 1.00 0.02 H new ATOM 0 HB2 SER A 34 -7.598 2.504 23.823 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.357 1.269 23.897 1.00 0.02 H new ATOM 0 HG SER A 34 -5.018 3.258 22.960 1.00 0.02 H new ATOM 532 N ARG A 35 -5.018 0.590 20.923 1.00 0.02 N ATOM 533 CA ARG A 35 -3.674 0.285 20.341 1.00 0.01 C ATOM 534 C ARG A 35 -3.770 -1.092 19.681 1.00 0.02 C ATOM 535 O ARG A 35 -4.660 -1.863 19.976 1.00 0.02 O ATOM 536 CB ARG A 35 -2.601 0.220 21.445 1.00 0.02 C ATOM 537 CG ARG A 35 -2.208 1.628 21.929 1.00 0.02 C ATOM 538 CD ARG A 35 -0.789 1.596 22.518 1.00 0.02 C ATOM 539 NE ARG A 35 -0.551 0.277 23.164 1.00 0.02 N ATOM 540 CZ ARG A 35 0.664 -0.092 23.463 1.00 0.02 C ATOM 541 NH1 ARG A 35 1.669 0.700 23.198 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.875 -1.249 24.026 1.00 0.02 N ATOM 0 H ARG A 35 -5.652 -0.208 20.966 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.395 1.063 19.631 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.976 -0.364 22.285 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -1.718 -0.296 21.067 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -2.252 2.334 21.099 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -2.916 1.976 22.681 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.053 1.766 21.732 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.668 2.397 23.247 1.00 0.02 H new ATOM 0 HE ARG A 35 -1.337 -0.338 23.373 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.503 1.605 22.758 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.620 0.413 23.431 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.090 -1.866 24.233 1.00 0.02 H new ATOM 0 HH22 ARG A 35 1.825 -1.537 24.259 1.00 0.02 H new ATOM 556 N CYS A 36 -2.867 -1.419 18.795 1.00 0.02 N ATOM 557 CA CYS A 36 -2.908 -2.758 18.130 1.00 0.02 C ATOM 558 C CYS A 36 -1.475 -3.248 17.930 1.00 0.02 C ATOM 559 O CYS A 36 -0.716 -2.630 17.209 1.00 0.02 O ATOM 560 CB CYS A 36 -3.584 -2.620 16.771 1.00 0.02 C ATOM 561 SG CYS A 36 -2.735 -1.328 15.838 1.00 0.02 S ATOM 0 H CYS A 36 -2.099 -0.815 18.501 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.464 -3.466 18.745 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -3.545 -3.566 16.230 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -4.637 -2.368 16.896 1.00 0.02 H new ATOM 0 HG CYS A 36 -1.459 -1.386 16.079 1.00 0.02 H new ATOM 567 N ASN A 37 -1.073 -4.324 18.567 1.00 0.02 N ATOM 568 CA ASN A 37 0.342 -4.802 18.412 1.00 0.01 C ATOM 569 C ASN A 37 0.395 -6.069 17.556 1.00 0.02 C ATOM 570 O ASN A 37 1.448 -6.617 17.293 1.00 0.02 O ATOM 571 CB ASN A 37 0.942 -5.104 19.786 1.00 0.02 C ATOM 572 CG ASN A 37 0.791 -3.877 20.689 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.086 -3.061 20.482 1.00 0.03 O ATOM 574 ND2 ASN A 37 1.617 -3.707 21.687 1.00 0.02 N ATOM 0 H ASN A 37 -1.658 -4.889 19.183 1.00 0.02 H new ATOM 0 HA ASN A 37 0.915 -4.016 17.920 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.440 -5.962 20.233 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.995 -5.367 19.685 1.00 0.02 H new ATOM 0 HD21 ASN A 37 1.526 -2.890 22.291 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.353 -4.391 21.862 1.00 0.02 H new ATOM 581 N SER A 38 -0.740 -6.519 17.095 1.00 0.02 N ATOM 582 CA SER A 38 -0.790 -7.727 16.226 1.00 0.02 C ATOM 583 C SER A 38 -2.082 -7.663 15.413 1.00 0.01 C ATOM 584 O SER A 38 -3.038 -7.025 15.805 1.00 0.02 O ATOM 585 CB SER A 38 -0.767 -9.000 17.077 1.00 0.01 C ATOM 586 OG SER A 38 -2.098 -9.368 17.409 1.00 0.02 O ATOM 0 H SER A 38 -1.647 -6.094 17.287 1.00 0.02 H new ATOM 0 HA SER A 38 0.077 -7.751 15.566 1.00 0.02 H new ATOM 0 HB2 SER A 38 -0.280 -9.808 16.530 1.00 0.01 H new ATOM 0 HB3 SER A 38 -0.186 -8.834 17.984 1.00 0.01 H new ATOM 0 HG SER A 38 -2.154 -10.342 17.506 1.00 0.02 H new ATOM 592 N ILE A 39 -2.118 -8.303 14.275 1.00 0.02 N ATOM 593 CA ILE A 39 -3.349 -8.254 13.429 1.00 0.02 C ATOM 594 C ILE A 39 -3.546 -9.586 12.702 1.00 0.02 C ATOM 595 O ILE A 39 -2.608 -10.246 12.301 1.00 0.02 O ATOM 596 CB ILE A 39 -3.192 -7.145 12.385 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.657 -5.878 13.057 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.550 -6.850 11.744 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.624 -4.735 12.043 1.00 0.00 C ATOM 0 H ILE A 39 -1.351 -8.857 13.894 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.211 -8.061 14.068 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.491 -7.469 11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.289 -5.609 13.903 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.656 -6.058 13.450 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.438 -6.060 11.001 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.928 -7.751 11.262 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.253 -6.528 12.512 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.243 -3.834 12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.974 -5.005 11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.632 -4.550 11.671 1.00 0.00 H new ATOM 611 N ARG A 40 -4.787 -9.958 12.489 1.00 0.02 N ATOM 612 CA ARG A 40 -5.102 -11.213 11.743 1.00 0.02 C ATOM 613 C ARG A 40 -5.987 -10.848 10.554 1.00 0.01 C ATOM 614 O ARG A 40 -7.053 -10.290 10.724 1.00 0.02 O ATOM 615 CB ARG A 40 -5.857 -12.211 12.625 1.00 0.01 C ATOM 616 CG ARG A 40 -6.003 -13.543 11.887 1.00 0.02 C ATOM 617 CD ARG A 40 -6.677 -14.563 12.807 1.00 0.02 C ATOM 618 NE ARG A 40 -7.937 -13.982 13.350 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.823 -14.756 13.918 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.605 -16.040 14.011 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.926 -14.247 14.395 1.00 0.02 N ATOM 0 H ARG A 40 -5.604 -9.436 12.806 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.169 -11.676 11.422 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.321 -12.360 13.563 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.840 -11.815 12.879 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.595 -13.407 10.982 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.024 -13.908 11.576 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.893 -15.479 12.257 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.006 -14.832 13.623 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.108 -12.979 13.278 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.743 -16.439 13.640 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.297 -16.644 14.455 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.097 -13.244 14.325 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.617 -14.852 14.838 1.00 0.02 H new ATOM 635 N VAL A 41 -5.589 -11.202 9.360 1.00 0.02 N ATOM 636 CA VAL A 41 -6.444 -10.931 8.167 1.00 0.01 C ATOM 637 C VAL A 41 -7.033 -12.274 7.741 1.00 0.02 C ATOM 638 O VAL A 41 -6.319 -13.176 7.353 1.00 0.02 O ATOM 639 CB VAL A 41 -5.610 -10.318 7.044 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.535 -9.906 5.895 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.896 -9.075 7.578 1.00 0.00 C ATOM 0 H VAL A 41 -4.705 -11.669 9.159 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.236 -10.219 8.399 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.880 -11.045 6.687 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.944 -9.468 5.091 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.063 -10.783 5.521 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.258 -9.173 6.254 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.297 -8.630 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.634 -8.352 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.247 -9.356 8.407 1.00 0.00 H new ATOM 651 N GLU A 42 -8.325 -12.424 7.853 1.00 0.01 N ATOM 652 CA GLU A 42 -8.961 -13.727 7.499 1.00 0.01 C ATOM 653 C GLU A 42 -9.192 -13.810 5.997 1.00 0.02 C ATOM 654 O GLU A 42 -9.111 -14.869 5.407 1.00 0.01 O ATOM 655 CB GLU A 42 -10.299 -13.858 8.234 1.00 0.99 C ATOM 656 CG GLU A 42 -10.768 -15.313 8.194 1.00 1.86 C ATOM 657 CD GLU A 42 -9.923 -16.148 9.156 1.00 3.10 C ATOM 658 OE1 GLU A 42 -10.052 -15.951 10.354 1.00 3.67 O ATOM 659 OE2 GLU A 42 -9.162 -16.973 8.678 1.00 3.81 O ATOM 0 H GLU A 42 -8.968 -11.701 8.174 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.298 -14.539 7.798 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.191 -13.529 9.267 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -11.045 -13.212 7.770 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.821 -15.375 8.470 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.681 -15.707 7.181 1.00 1.86 H new ATOM 666 N GLY A 43 -9.487 -12.716 5.367 1.00 0.01 N ATOM 667 CA GLY A 43 -9.728 -12.768 3.902 1.00 0.02 C ATOM 668 C GLY A 43 -9.634 -11.371 3.306 1.00 0.02 C ATOM 669 O GLY A 43 -9.919 -10.390 3.966 1.00 0.02 O ATOM 0 H GLY A 43 -9.572 -11.794 5.796 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.997 -13.424 3.429 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.712 -13.191 3.702 1.00 0.02 H new ATOM 673 N GLY A 44 -9.252 -11.270 2.066 1.00 0.00 N ATOM 674 CA GLY A 44 -9.159 -9.927 1.436 1.00 0.01 C ATOM 675 C GLY A 44 -7.821 -9.275 1.785 1.00 0.01 C ATOM 676 O GLY A 44 -7.070 -9.763 2.608 1.00 0.01 O ATOM 0 H GLY A 44 -9.001 -12.055 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.258 -10.017 0.354 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.980 -9.298 1.780 1.00 0.01 H new ATOM 680 N THR A 45 -7.552 -8.147 1.187 1.00 0.01 N ATOM 681 CA THR A 45 -6.294 -7.394 1.491 1.00 0.00 C ATOM 682 C THR A 45 -6.690 -6.021 2.027 1.00 0.01 C ATOM 683 O THR A 45 -7.634 -5.427 1.555 1.00 0.01 O ATOM 684 CB THR A 45 -5.463 -7.223 0.218 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.993 -8.493 -0.214 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.273 -6.303 0.506 1.00 1.48 C ATOM 0 H THR A 45 -8.155 -7.707 0.492 1.00 0.01 H new ATOM 0 HA THR A 45 -5.698 -7.939 2.223 1.00 0.00 H new ATOM 0 HB THR A 45 -6.080 -6.781 -0.565 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.462 -8.385 -1.030 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.680 -6.180 -0.400 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.637 -5.330 0.836 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.654 -6.743 1.288 1.00 1.48 H new ATOM 694 N TRP A 46 -6.036 -5.543 3.058 1.00 0.02 N ATOM 695 CA TRP A 46 -6.442 -4.231 3.661 1.00 0.01 C ATOM 696 C TRP A 46 -5.273 -3.251 3.738 1.00 0.01 C ATOM 697 O TRP A 46 -4.122 -3.617 3.867 1.00 0.01 O ATOM 698 CB TRP A 46 -6.949 -4.488 5.081 1.00 0.00 C ATOM 699 CG TRP A 46 -8.248 -5.219 5.023 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.399 -6.508 4.642 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.578 -4.727 5.350 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.740 -6.839 4.714 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.507 -5.774 5.145 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.061 -3.486 5.797 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.871 -5.595 5.378 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.433 -3.303 6.033 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.335 -4.355 5.824 1.00 0.01 C ATOM 0 H TRP A 46 -5.243 -6.000 3.507 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.214 -3.792 3.029 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.217 -5.071 5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.075 -3.543 5.610 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.604 -7.170 4.333 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -10.117 -7.757 4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.374 -2.669 5.960 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.562 -6.408 5.215 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.795 -2.346 6.378 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.389 -4.207 6.008 1.00 0.01 H new ATOM 718 N ALA A 47 -5.604 -1.989 3.726 1.00 0.01 N ATOM 719 CA ALA A 47 -4.586 -0.911 3.872 1.00 0.01 C ATOM 720 C ALA A 47 -4.817 -0.342 5.263 1.00 0.01 C ATOM 721 O ALA A 47 -5.935 -0.056 5.643 1.00 0.01 O ATOM 722 CB ALA A 47 -4.798 0.168 2.807 1.00 0.24 C ATOM 0 H ALA A 47 -6.561 -1.653 3.618 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.569 -1.282 3.746 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.047 0.949 2.926 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.706 -0.276 1.816 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.792 0.600 2.920 1.00 0.24 H new ATOM 728 N VAL A 48 -3.767 -0.152 6.021 1.00 0.01 N ATOM 729 CA VAL A 48 -3.912 0.428 7.391 1.00 0.02 C ATOM 730 C VAL A 48 -3.168 1.757 7.451 1.00 0.01 C ATOM 731 O VAL A 48 -2.116 1.910 6.857 1.00 0.01 O ATOM 732 CB VAL A 48 -3.347 -0.533 8.434 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.133 -1.843 8.399 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.873 -0.810 8.128 1.00 0.65 C ATOM 0 H VAL A 48 -2.810 -0.375 5.748 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.968 0.589 7.606 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.433 -0.086 9.424 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.730 -2.529 9.144 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.182 -1.644 8.619 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.049 -2.291 7.409 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.470 -1.496 8.873 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.785 -1.257 7.138 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.314 0.125 8.156 1.00 0.65 H new ATOM 744 N TYR A 49 -3.715 2.720 8.148 1.00 0.01 N ATOM 745 CA TYR A 49 -3.064 4.063 8.239 1.00 0.01 C ATOM 746 C TYR A 49 -2.737 4.378 9.692 1.00 0.01 C ATOM 747 O TYR A 49 -3.440 4.006 10.614 1.00 0.02 O ATOM 748 CB TYR A 49 -4.027 5.116 7.692 1.00 0.01 C ATOM 749 CG TYR A 49 -4.477 4.711 6.305 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.377 3.648 6.138 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.997 5.399 5.186 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.790 3.277 4.853 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.410 5.028 3.902 1.00 0.01 C ATOM 754 CZ TYR A 49 -5.305 3.966 3.735 1.00 0.02 C ATOM 755 OH TYR A 49 -5.711 3.599 2.470 1.00 0.01 O ATOM 0 H TYR A 49 -4.592 2.633 8.662 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.142 4.065 7.658 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.889 5.215 8.352 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.538 6.090 7.658 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.751 3.116 7.000 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.306 6.219 5.314 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.483 2.459 4.724 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -4.038 5.561 3.040 1.00 0.01 H new ATOM 0 HH TYR A 49 -5.282 4.180 1.807 1.00 0.01 H new ATOM 765 N GLU A 50 -1.628 5.038 9.892 1.00 0.01 N ATOM 766 CA GLU A 50 -1.174 5.371 11.267 1.00 0.01 C ATOM 767 C GLU A 50 -2.138 6.354 11.937 1.00 0.01 C ATOM 768 O GLU A 50 -2.335 6.300 13.135 1.00 0.02 O ATOM 769 CB GLU A 50 0.225 5.998 11.182 1.00 0.02 C ATOM 770 CG GLU A 50 0.956 5.836 12.519 1.00 0.01 C ATOM 771 CD GLU A 50 1.499 4.410 12.642 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.035 3.555 11.905 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.370 4.198 13.467 1.00 0.01 O ATOM 0 H GLU A 50 -1.011 5.364 9.148 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.148 4.460 11.866 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.797 5.523 10.386 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.144 7.055 10.929 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.774 6.554 12.586 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.276 6.049 13.344 1.00 0.01 H new ATOM 780 N ARG A 51 -2.720 7.273 11.192 1.00 0.02 N ATOM 781 CA ARG A 51 -3.648 8.278 11.815 1.00 0.02 C ATOM 782 C ARG A 51 -5.015 8.243 11.093 1.00 0.01 C ATOM 783 O ARG A 51 -5.105 7.823 9.951 1.00 0.02 O ATOM 784 CB ARG A 51 -3.005 9.674 11.649 1.00 0.02 C ATOM 785 CG ARG A 51 -2.142 10.007 12.876 1.00 0.01 C ATOM 786 CD ARG A 51 -1.148 11.117 12.522 1.00 0.02 C ATOM 787 NE ARG A 51 -0.088 10.565 11.634 1.00 0.02 N ATOM 788 CZ ARG A 51 0.687 11.370 10.962 1.00 0.02 C ATOM 789 NH1 ARG A 51 0.536 12.662 11.067 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.616 10.882 10.185 1.00 0.01 N ATOM 0 H ARG A 51 -2.592 7.369 10.185 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.807 8.052 12.869 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.393 9.696 10.747 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.782 10.428 11.525 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.776 10.324 13.704 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.606 9.118 13.208 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.664 11.938 12.024 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.702 11.524 13.429 1.00 0.02 H new ATOM 0 HE ARG A 51 0.032 9.555 11.551 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -0.189 13.043 11.675 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.143 13.291 10.541 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.735 9.872 10.104 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.223 11.511 9.659 1.00 0.01 H new ATOM 804 N PRO A 52 -6.072 8.690 11.756 1.00 0.02 N ATOM 805 CA PRO A 52 -7.438 8.694 11.150 1.00 0.02 C ATOM 806 C PRO A 52 -7.493 9.415 9.798 1.00 0.01 C ATOM 807 O PRO A 52 -6.596 10.137 9.409 1.00 0.02 O ATOM 808 CB PRO A 52 -8.286 9.425 12.217 1.00 0.02 C ATOM 809 CG PRO A 52 -7.344 9.912 13.334 1.00 0.01 C ATOM 810 CD PRO A 52 -5.988 9.218 13.151 1.00 0.01 C ATOM 0 HA PRO A 52 -7.791 7.688 10.922 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.813 10.268 11.771 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.043 8.755 12.624 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.227 10.995 13.288 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.762 9.678 14.313 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.158 9.914 13.271 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.841 8.419 13.878 1.00 0.01 H new ATOM 818 N ASN A 53 -8.589 9.227 9.113 1.00 0.02 N ATOM 819 CA ASN A 53 -8.809 9.893 7.801 1.00 0.02 C ATOM 820 C ASN A 53 -7.790 9.419 6.769 1.00 0.01 C ATOM 821 O ASN A 53 -7.335 10.168 5.928 1.00 0.01 O ATOM 822 CB ASN A 53 -8.707 11.409 7.985 1.00 0.01 C ATOM 823 CG ASN A 53 -9.384 11.807 9.297 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.763 12.395 10.158 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.638 11.508 9.486 1.00 0.01 N ATOM 0 H ASN A 53 -9.356 8.627 9.416 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.802 9.632 7.435 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.661 11.716 7.995 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.182 11.921 7.148 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -11.098 11.768 10.358 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -11.159 11.014 8.762 1.00 0.01 H new ATOM 832 N PHE A 54 -7.453 8.158 6.822 1.00 0.02 N ATOM 833 CA PHE A 54 -6.491 7.585 5.846 1.00 0.01 C ATOM 834 C PHE A 54 -5.285 8.509 5.669 1.00 0.01 C ATOM 835 O PHE A 54 -4.919 8.875 4.569 1.00 0.02 O ATOM 836 CB PHE A 54 -7.202 7.375 4.504 1.00 1.78 C ATOM 837 CG PHE A 54 -8.627 6.925 4.753 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.879 5.822 5.578 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.695 7.613 4.160 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.196 5.407 5.811 1.00 3.03 C ATOM 841 CE2 PHE A 54 -11.011 7.198 4.393 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.261 6.096 5.219 1.00 3.39 C ATOM 0 H PHE A 54 -7.810 7.495 7.510 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.129 6.628 6.221 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.197 8.301 3.929 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.672 6.629 3.912 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.057 5.291 6.035 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.502 8.464 3.523 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.390 4.556 6.447 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.833 7.728 3.936 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.277 5.777 5.400 1.00 3.39 H new ATOM 852 N SER A 55 -4.670 8.883 6.766 1.00 0.02 N ATOM 853 CA SER A 55 -3.476 9.789 6.711 1.00 0.02 C ATOM 854 C SER A 55 -2.313 9.168 7.493 1.00 0.01 C ATOM 855 O SER A 55 -2.492 8.245 8.265 1.00 0.01 O ATOM 856 CB SER A 55 -3.842 11.137 7.331 1.00 1.90 C ATOM 857 OG SER A 55 -4.102 10.958 8.716 1.00 2.33 O ATOM 0 H SER A 55 -4.946 8.597 7.705 1.00 0.02 H new ATOM 0 HA SER A 55 -3.174 9.928 5.673 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.028 11.849 7.190 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.719 11.553 6.835 1.00 1.90 H new ATOM 0 HG SER A 55 -5.029 10.664 8.840 1.00 2.33 H new ATOM 863 N GLY A 56 -1.118 9.660 7.291 1.00 0.02 N ATOM 864 CA GLY A 56 0.064 9.094 8.010 1.00 0.02 C ATOM 865 C GLY A 56 0.659 7.932 7.204 1.00 0.02 C ATOM 866 O GLY A 56 0.417 7.800 6.023 1.00 0.00 O ATOM 0 H GLY A 56 -0.909 10.431 6.657 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.816 9.869 8.157 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.233 8.747 9.000 1.00 0.02 H new ATOM 870 N HIS A 57 1.456 7.104 7.825 1.00 0.02 N ATOM 871 CA HIS A 57 2.088 5.971 7.083 1.00 0.02 C ATOM 872 C HIS A 57 1.019 5.007 6.565 1.00 0.01 C ATOM 873 O HIS A 57 0.033 4.747 7.228 1.00 0.01 O ATOM 874 CB HIS A 57 3.042 5.215 8.010 1.00 0.00 C ATOM 875 CG HIS A 57 3.919 4.314 7.186 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.398 3.409 6.275 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.283 4.178 7.109 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.433 2.777 5.694 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.604 3.207 6.167 1.00 0.01 N ATOM 0 H HIS A 57 1.698 7.162 8.814 1.00 0.02 H new ATOM 0 HA HIS A 57 2.641 6.377 6.236 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.652 5.919 8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.476 4.629 8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.998 4.740 7.692 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.329 2.014 4.937 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.535 2.891 5.896 1.00 0.01 H new ATOM 887 N MET A 58 1.225 4.469 5.380 1.00 0.02 N ATOM 888 CA MET A 58 0.243 3.503 4.783 1.00 0.02 C ATOM 889 C MET A 58 0.913 2.135 4.606 1.00 0.01 C ATOM 890 O MET A 58 2.020 2.034 4.118 1.00 0.01 O ATOM 891 CB MET A 58 -0.190 4.007 3.399 1.00 2.61 C ATOM 892 CG MET A 58 -0.774 5.420 3.499 1.00 3.46 C ATOM 893 SD MET A 58 -0.616 6.248 1.897 1.00 4.50 S ATOM 894 CE MET A 58 -1.346 4.931 0.889 1.00 5.01 C ATOM 0 H MET A 58 2.040 4.661 4.797 1.00 0.02 H new ATOM 0 HA MET A 58 -0.620 3.418 5.444 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.665 4.008 2.722 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.932 3.330 2.975 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.822 5.373 3.795 1.00 3.46 H new ATOM 0 HG3 MET A 58 -0.251 5.988 4.268 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.677 5.343 -0.064 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.602 4.155 0.710 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.199 4.501 1.414 1.00 5.01 H new ATOM 904 N TYR A 59 0.236 1.080 4.986 1.00 0.02 N ATOM 905 CA TYR A 59 0.805 -0.303 4.833 1.00 0.01 C ATOM 906 C TYR A 59 -0.277 -1.232 4.264 1.00 0.01 C ATOM 907 O TYR A 59 -1.408 -1.238 4.707 1.00 0.02 O ATOM 908 CB TYR A 59 1.258 -0.840 6.202 1.00 0.01 C ATOM 909 CG TYR A 59 2.671 -0.384 6.507 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.733 -0.823 5.707 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.921 0.462 7.596 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.041 -0.418 5.993 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.230 0.869 7.881 1.00 0.01 C ATOM 914 CZ TYR A 59 5.290 0.427 7.078 1.00 0.01 C ATOM 915 OH TYR A 59 6.580 0.826 7.356 1.00 0.01 O ATOM 0 H TYR A 59 -0.696 1.114 5.400 1.00 0.02 H new ATOM 0 HA TYR A 59 1.661 -0.266 4.159 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.580 -0.489 6.980 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.212 -1.929 6.206 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.542 -1.475 4.868 1.00 0.01 H new ATOM 0 HD2 TYR A 59 2.104 0.800 8.216 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.859 -0.758 5.375 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.423 1.523 8.719 1.00 0.01 H new ATOM 0 HH TYR A 59 6.627 1.805 7.357 1.00 0.01 H new ATOM 925 N ILE A 60 0.084 -2.025 3.286 1.00 0.02 N ATOM 926 CA ILE A 60 -0.890 -2.980 2.670 1.00 0.01 C ATOM 927 C ILE A 60 -0.710 -4.360 3.313 1.00 0.01 C ATOM 928 O ILE A 60 0.397 -4.841 3.447 1.00 0.01 O ATOM 929 CB ILE A 60 -0.625 -3.079 1.164 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.402 -1.678 0.581 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.825 -3.735 0.474 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.542 -0.747 1.005 1.00 1.72 C ATOM 0 H ILE A 60 1.021 -2.052 2.884 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.908 -2.627 2.834 1.00 0.01 H new ATOM 0 HB ILE A 60 0.266 -3.683 0.997 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.552 -1.279 0.926 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.350 -1.732 -0.506 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.635 -3.805 -0.597 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.977 -4.734 0.881 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.717 -3.133 0.646 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.376 0.246 0.587 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.490 -1.141 0.638 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.573 -0.682 2.093 1.00 1.72 H new ATOM 944 N LEU A 61 -1.784 -4.990 3.728 1.00 0.01 N ATOM 945 CA LEU A 61 -1.671 -6.338 4.383 1.00 0.01 C ATOM 946 C LEU A 61 -2.517 -7.388 3.622 1.00 0.01 C ATOM 947 O LEU A 61 -3.729 -7.332 3.671 1.00 0.00 O ATOM 948 CB LEU A 61 -2.204 -6.236 5.825 1.00 0.01 C ATOM 949 CG LEU A 61 -1.126 -5.663 6.761 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.730 -5.476 8.156 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.088 -6.620 6.841 1.00 0.01 C ATOM 0 H LEU A 61 -2.735 -4.631 3.643 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.625 -6.646 4.374 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -3.089 -5.599 5.847 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.511 -7.221 6.175 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.783 -4.705 6.370 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.974 -5.070 8.828 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.572 -4.787 8.098 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.074 -6.438 8.536 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.840 -6.198 7.507 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.236 -7.587 7.225 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.516 -6.749 5.847 1.00 0.01 H new ATOM 963 N PRO A 62 -1.914 -8.363 2.952 1.00 0.02 N ATOM 964 CA PRO A 62 -2.718 -9.408 2.259 1.00 0.01 C ATOM 965 C PRO A 62 -3.277 -10.413 3.278 1.00 0.00 C ATOM 966 O PRO A 62 -2.922 -10.386 4.440 1.00 0.02 O ATOM 967 CB PRO A 62 -1.683 -10.059 1.324 1.00 1.47 C ATOM 968 CG PRO A 62 -0.282 -9.672 1.828 1.00 1.29 C ATOM 969 CD PRO A 62 -0.431 -8.503 2.821 1.00 0.82 C ATOM 0 HA PRO A 62 -3.587 -9.023 1.725 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.801 -11.143 1.319 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.827 -9.718 0.299 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.196 -10.523 2.313 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.355 -9.382 0.993 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.040 -8.724 3.779 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.029 -7.590 2.443 1.00 0.82 H new ATOM 977 N GLN A 63 -4.145 -11.293 2.862 1.00 0.02 N ATOM 978 CA GLN A 63 -4.714 -12.284 3.823 1.00 0.00 C ATOM 979 C GLN A 63 -3.583 -12.992 4.573 1.00 0.00 C ATOM 980 O GLN A 63 -2.562 -13.320 4.001 1.00 0.02 O ATOM 981 CB GLN A 63 -5.534 -13.322 3.046 1.00 1.27 C ATOM 982 CG GLN A 63 -6.269 -14.249 4.023 1.00 1.67 C ATOM 983 CD GLN A 63 -5.294 -15.290 4.582 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.040 -15.324 5.770 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.735 -16.144 3.769 1.00 3.04 N ATOM 0 H GLN A 63 -4.485 -11.370 1.903 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.351 -11.767 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.253 -12.819 2.399 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.878 -13.907 2.401 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -6.700 -13.666 4.837 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.095 -14.747 3.515 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -4.949 -16.114 2.772 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.084 -16.841 4.130 1.00 3.04 H new ATOM 994 N GLY A 64 -3.747 -13.239 5.850 1.00 0.02 N ATOM 995 CA GLY A 64 -2.662 -13.933 6.606 1.00 0.01 C ATOM 996 C GLY A 64 -2.751 -13.609 8.103 1.00 0.02 C ATOM 997 O GLY A 64 -3.634 -12.904 8.551 1.00 0.02 O ATOM 0 H GLY A 64 -4.574 -12.993 6.394 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.740 -15.010 6.457 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.690 -13.627 6.220 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.830 -14.128 8.875 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.822 -13.879 10.354 1.00 0.02 C ATOM 1003 C GLU A 65 -0.515 -13.188 10.751 1.00 0.02 C ATOM 1004 O GLU A 65 0.561 -13.613 10.385 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.922 -15.222 11.080 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.099 -14.974 12.577 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.199 -16.313 13.311 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -1.161 -16.865 13.637 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -3.311 -16.764 13.534 1.00 0.71 O ATOM 0 H GLU A 65 -1.071 -14.722 8.541 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.664 -13.242 10.625 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.764 -15.796 10.693 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.024 -15.813 10.901 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.257 -14.398 12.963 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.997 -14.383 12.754 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.613 -12.123 11.511 1.00 0.02 N ATOM 1017 CA TYR A 66 0.598 -11.375 11.965 1.00 0.02 C ATOM 1018 C TYR A 66 0.609 -11.371 13.507 1.00 0.02 C ATOM 1019 O TYR A 66 -0.105 -10.595 14.110 1.00 0.02 O ATOM 1020 CB TYR A 66 0.484 -9.940 11.447 1.00 0.01 C ATOM 1021 CG TYR A 66 0.433 -9.981 9.938 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.763 -10.311 9.291 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.581 -9.703 9.187 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.813 -10.363 7.894 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.531 -9.757 7.788 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.333 -10.086 7.142 1.00 0.02 C ATOM 1027 OH TYR A 66 0.284 -10.138 5.764 1.00 0.01 O ATOM 0 H TYR A 66 -1.497 -11.736 11.840 1.00 0.02 H new ATOM 0 HA TYR A 66 1.514 -11.834 11.592 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.412 -9.463 11.844 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.335 -9.347 11.782 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.648 -10.526 9.871 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.504 -9.447 9.685 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.737 -10.617 7.396 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.417 -9.545 7.208 1.00 0.02 H new ATOM 0 HH TYR A 66 1.166 -9.918 5.397 1.00 0.01 H new ATOM 1037 N PRO A 67 1.372 -12.237 14.156 1.00 0.01 N ATOM 1038 CA PRO A 67 1.372 -12.282 15.647 1.00 0.02 C ATOM 1039 C PRO A 67 2.038 -11.065 16.309 1.00 0.02 C ATOM 1040 O PRO A 67 2.018 -10.939 17.517 1.00 0.02 O ATOM 1041 CB PRO A 67 2.148 -13.583 15.948 1.00 0.02 C ATOM 1042 CG PRO A 67 2.779 -14.092 14.635 1.00 0.02 C ATOM 1043 CD PRO A 67 2.266 -13.220 13.472 1.00 0.01 C ATOM 0 HA PRO A 67 0.360 -12.260 16.051 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.922 -13.399 16.693 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.478 -14.336 16.363 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.866 -14.042 14.694 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.516 -15.137 14.469 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.084 -12.725 12.948 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.725 -13.811 12.733 1.00 0.01 H new ATOM 1051 N GLU A 68 2.608 -10.160 15.558 1.00 0.01 N ATOM 1052 CA GLU A 68 3.241 -8.969 16.199 1.00 0.01 C ATOM 1053 C GLU A 68 3.312 -7.849 15.162 1.00 0.03 C ATOM 1054 O GLU A 68 3.284 -8.076 13.970 1.00 0.02 O ATOM 1055 CB GLU A 68 4.663 -9.311 16.658 1.00 0.69 C ATOM 1056 CG GLU A 68 4.613 -10.290 17.834 1.00 1.09 C ATOM 1057 CD GLU A 68 5.982 -10.342 18.517 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.613 -9.302 18.614 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.375 -11.420 18.932 1.00 1.55 O ATOM 0 H GLU A 68 2.663 -10.192 14.540 1.00 0.01 H new ATOM 0 HA GLU A 68 2.653 -8.661 17.063 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.225 -9.749 15.833 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.187 -8.402 16.953 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.851 -9.978 18.548 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.333 -11.283 17.482 1.00 1.09 H new ATOM 1066 N TYR A 69 3.355 -6.632 15.625 1.00 0.02 N ATOM 1067 CA TYR A 69 3.367 -5.476 14.687 1.00 0.02 C ATOM 1068 C TYR A 69 4.583 -5.512 13.758 1.00 0.01 C ATOM 1069 O TYR A 69 4.492 -5.181 12.592 1.00 0.01 O ATOM 1070 CB TYR A 69 3.310 -4.162 15.479 1.00 0.02 C ATOM 1071 CG TYR A 69 4.578 -3.968 16.281 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.776 -4.686 17.467 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.553 -3.060 15.845 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.944 -4.496 18.215 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.721 -2.871 16.592 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.917 -3.590 17.778 1.00 0.02 C ATOM 1077 OH TYR A 69 8.066 -3.402 18.515 1.00 0.01 O ATOM 0 H TYR A 69 3.382 -6.387 16.615 1.00 0.02 H new ATOM 0 HA TYR A 69 2.484 -5.542 14.052 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.174 -3.324 14.795 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.449 -4.171 16.147 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.027 -5.387 17.805 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.402 -2.505 14.931 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.094 -5.049 19.130 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.471 -2.171 16.254 1.00 0.02 H new ATOM 0 HH TYR A 69 8.635 -2.740 18.070 1.00 0.01 H new ATOM 1087 N GLN A 70 5.725 -5.913 14.256 1.00 0.01 N ATOM 1088 CA GLN A 70 6.942 -5.974 13.394 1.00 0.02 C ATOM 1089 C GLN A 70 6.710 -6.930 12.216 1.00 0.01 C ATOM 1090 O GLN A 70 7.331 -6.823 11.178 1.00 0.02 O ATOM 1091 CB GLN A 70 8.125 -6.483 14.222 1.00 0.01 C ATOM 1092 CG GLN A 70 8.394 -5.517 15.375 1.00 0.01 C ATOM 1093 CD GLN A 70 9.056 -4.249 14.836 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.260 -4.110 14.893 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.314 -3.314 14.308 1.00 0.02 N ATOM 0 H GLN A 70 5.866 -6.201 15.224 1.00 0.01 H new ATOM 0 HA GLN A 70 7.154 -4.976 13.011 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.909 -7.478 14.610 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.011 -6.571 13.593 1.00 0.01 H new ATOM 0 HG2 GLN A 70 7.460 -5.266 15.878 1.00 0.01 H new ATOM 0 HG3 GLN A 70 9.039 -5.989 16.116 1.00 0.01 H new ATOM 0 HE21 GLN A 70 7.302 -3.432 14.261 1.00 0.02 H new ATOM 0 HE22 GLN A 70 8.746 -2.465 13.943 1.00 0.02 H new ATOM 1104 N ARG A 71 5.799 -7.857 12.375 1.00 0.01 N ATOM 1105 CA ARG A 71 5.505 -8.812 11.268 1.00 0.02 C ATOM 1106 C ARG A 71 4.768 -8.060 10.158 1.00 0.01 C ATOM 1107 O ARG A 71 4.704 -8.484 9.022 1.00 0.02 O ATOM 1108 CB ARG A 71 4.640 -9.965 11.789 1.00 0.34 C ATOM 1109 CG ARG A 71 4.605 -11.106 10.756 1.00 0.72 C ATOM 1110 CD ARG A 71 5.892 -11.963 10.842 1.00 1.04 C ATOM 1111 NE ARG A 71 6.455 -12.190 9.469 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.692 -12.562 8.474 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.431 -12.831 8.672 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.199 -12.690 7.279 1.00 3.42 N ATOM 0 H ARG A 71 5.248 -7.992 13.223 1.00 0.01 H new ATOM 0 HA ARG A 71 6.434 -9.227 10.878 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.040 -10.332 12.735 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.628 -9.611 11.986 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.732 -11.734 10.930 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.504 -10.692 9.753 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.630 -11.462 11.468 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.670 -12.920 11.315 1.00 1.04 H new ATOM 0 HE ARG A 71 7.453 -12.051 9.309 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.033 -12.752 9.608 1.00 2.54 H new ATOM 0 HH12 ARG A 71 3.843 -13.120 7.891 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.189 -12.500 7.122 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.606 -12.980 6.502 1.00 3.42 H new ATOM 1128 N TRP A 72 4.217 -6.929 10.505 1.00 0.02 N ATOM 1129 CA TRP A 72 3.467 -6.088 9.528 1.00 0.01 C ATOM 1130 C TRP A 72 4.363 -4.887 9.191 1.00 0.01 C ATOM 1131 O TRP A 72 3.960 -3.943 8.546 1.00 0.02 O ATOM 1132 CB TRP A 72 2.144 -5.668 10.218 1.00 0.02 C ATOM 1133 CG TRP A 72 1.692 -4.295 9.817 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.386 -3.900 8.560 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.467 -3.136 10.674 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.004 -2.571 8.593 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.037 -2.058 9.871 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.600 -2.919 12.056 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.750 -0.807 10.418 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.308 -1.662 12.612 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.885 -0.608 11.793 1.00 0.02 C ATOM 0 H TRP A 72 4.256 -6.543 11.448 1.00 0.02 H new ATOM 0 HA TRP A 72 3.222 -6.604 8.600 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.365 -6.389 9.970 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.277 -5.701 11.299 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.432 -4.520 7.677 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.731 -2.035 7.769 1.00 0.02 H new ATOM 0 HE3 TRP A 72 1.929 -3.725 12.696 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.425 0.003 9.781 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.410 -1.508 13.676 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.664 0.357 12.224 1.00 0.02 H new ATOM 1152 N MET A 73 5.589 -4.938 9.636 1.00 0.02 N ATOM 1153 CA MET A 73 6.551 -3.830 9.371 1.00 0.02 C ATOM 1154 C MET A 73 6.022 -2.520 9.963 1.00 0.01 C ATOM 1155 O MET A 73 6.409 -1.440 9.560 1.00 0.02 O ATOM 1156 CB MET A 73 6.759 -3.650 7.859 1.00 0.02 C ATOM 1157 CG MET A 73 7.091 -4.996 7.203 1.00 0.01 C ATOM 1158 SD MET A 73 6.821 -4.872 5.419 1.00 0.01 S ATOM 1159 CE MET A 73 7.301 -6.564 4.998 1.00 0.01 C ATOM 0 H MET A 73 5.970 -5.712 10.180 1.00 0.02 H new ATOM 0 HA MET A 73 7.502 -4.085 9.838 1.00 0.02 H new ATOM 0 HB2 MET A 73 5.859 -3.230 7.409 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.567 -2.941 7.678 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.126 -5.268 7.408 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.465 -5.783 7.624 1.00 0.01 H new ATOM 0 HE1 MET A 73 7.208 -6.711 3.922 1.00 0.01 H new ATOM 0 HE2 MET A 73 8.334 -6.735 5.300 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.650 -7.267 5.518 1.00 0.01 H new ATOM 1169 N GLY A 74 5.137 -2.616 10.918 1.00 0.02 N ATOM 1170 CA GLY A 74 4.576 -1.387 11.541 1.00 0.02 C ATOM 1171 C GLY A 74 5.704 -0.571 12.162 1.00 0.01 C ATOM 1172 O GLY A 74 6.631 -1.111 12.729 1.00 0.01 O ATOM 0 H GLY A 74 4.779 -3.494 11.293 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.053 -0.793 10.792 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.844 -1.654 12.303 1.00 0.02 H new ATOM 1176 N LEU A 75 5.610 0.727 12.103 1.00 0.02 N ATOM 1177 CA LEU A 75 6.659 1.566 12.743 1.00 0.02 C ATOM 1178 C LEU A 75 6.384 1.569 14.251 1.00 0.01 C ATOM 1179 O LEU A 75 7.284 1.652 15.063 1.00 0.02 O ATOM 1180 CB LEU A 75 6.603 2.992 12.180 1.00 0.55 C ATOM 1181 CG LEU A 75 7.851 3.787 12.619 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.036 3.478 11.695 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.553 5.289 12.554 1.00 0.42 C ATOM 0 H LEU A 75 4.858 1.240 11.643 1.00 0.02 H new ATOM 0 HA LEU A 75 7.654 1.169 12.541 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.548 2.959 11.092 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.701 3.494 12.530 1.00 0.55 H new ATOM 0 HG LEU A 75 8.104 3.498 13.639 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.908 4.047 12.019 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.262 2.412 11.737 1.00 0.98 H new ATOM 0 HD13 LEU A 75 8.781 3.755 10.672 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.435 5.849 12.864 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.290 5.564 11.533 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.722 5.524 13.219 1.00 0.42 H new ATOM 1195 N ASN A 76 5.134 1.438 14.621 1.00 0.01 N ATOM 1196 CA ASN A 76 4.741 1.381 16.052 1.00 0.02 C ATOM 1197 C ASN A 76 3.389 0.663 16.101 1.00 0.02 C ATOM 1198 O ASN A 76 2.947 0.120 15.108 1.00 0.02 O ATOM 1199 CB ASN A 76 4.616 2.795 16.619 1.00 0.02 C ATOM 1200 CG ASN A 76 3.675 3.614 15.735 1.00 0.02 C ATOM 1201 OD1 ASN A 76 2.496 3.331 15.659 1.00 0.01 O ATOM 1202 ND2 ASN A 76 4.148 4.625 15.061 1.00 0.02 N ATOM 0 H ASN A 76 4.353 1.367 13.968 1.00 0.01 H new ATOM 0 HA ASN A 76 5.486 0.855 16.649 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.234 2.757 17.639 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.596 3.269 16.663 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.528 5.179 14.470 1.00 0.02 H new ATOM 0 HD22 ASN A 76 5.138 4.862 15.125 1.00 0.02 H new ATOM 1209 N ASP A 77 2.725 0.635 17.226 1.00 0.01 N ATOM 1210 CA ASP A 77 1.405 -0.076 17.295 1.00 0.01 C ATOM 1211 C ASP A 77 0.257 0.926 17.144 1.00 0.01 C ATOM 1212 O ASP A 77 -0.813 0.731 17.690 1.00 0.01 O ATOM 1213 CB ASP A 77 1.279 -0.776 18.649 1.00 0.01 C ATOM 1214 CG ASP A 77 1.624 0.207 19.770 1.00 0.01 C ATOM 1215 OD1 ASP A 77 1.183 1.342 19.694 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.322 -0.194 20.687 1.00 0.02 O ATOM 0 H ASP A 77 3.033 1.069 18.096 1.00 0.01 H new ATOM 0 HA ASP A 77 1.353 -0.807 16.488 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.265 -1.153 18.782 1.00 0.01 H new ATOM 0 HB3 ASP A 77 1.947 -1.637 18.688 1.00 0.01 H new ATOM 1221 N ARG A 78 0.472 2.012 16.435 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.606 3.042 16.282 1.00 0.01 C ATOM 1223 C ARG A 78 -1.348 2.868 14.948 1.00 0.02 C ATOM 1224 O ARG A 78 -0.763 2.945 13.886 1.00 0.02 O ATOM 1225 CB ARG A 78 0.029 4.443 16.360 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.987 5.458 16.914 1.00 0.80 C ATOM 1227 CD ARG A 78 -1.071 5.345 18.455 1.00 1.00 C ATOM 1228 NE ARG A 78 -2.504 5.377 18.892 1.00 1.30 N ATOM 1229 CZ ARG A 78 -3.331 6.278 18.433 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.898 7.249 17.680 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -4.592 6.226 18.764 1.00 3.20 N ATOM 0 H ARG A 78 1.347 2.228 15.957 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.333 2.920 17.085 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.911 4.415 16.999 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.362 4.755 15.370 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.693 6.469 16.632 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.968 5.278 16.475 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -0.601 4.419 18.786 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.522 6.165 18.919 1.00 1.00 H new ATOM 0 HE ARG A 78 -2.840 4.683 19.560 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -1.907 7.309 17.445 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.550 7.949 17.325 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -4.928 5.484 19.378 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -5.242 6.927 18.408 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.641 2.681 15.002 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.457 2.551 13.754 1.00 0.01 C ATOM 1247 C LEU A 79 -4.808 3.211 14.022 1.00 0.01 C ATOM 1248 O LEU A 79 -5.495 2.860 14.961 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.664 1.073 13.397 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.405 0.485 12.732 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.642 -1.005 12.424 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -2.075 1.236 11.420 1.00 2.61 C ATOM 0 H LEU A 79 -3.175 2.612 15.868 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.946 3.029 12.918 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.902 0.507 14.298 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.516 0.973 12.724 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.564 0.597 13.416 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.753 -1.425 11.953 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.849 -1.540 13.351 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.492 -1.106 11.749 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.182 0.804 10.968 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.912 1.145 10.728 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.897 2.289 11.638 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.176 4.194 13.238 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.468 4.919 13.482 1.00 0.02 C ATOM 1266 C GLY A 80 -7.533 4.585 12.431 1.00 0.02 C ATOM 1267 O GLY A 80 -8.703 4.835 12.640 1.00 0.01 O ATOM 0 H GLY A 80 -4.639 4.528 12.438 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.845 4.661 14.472 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.284 5.993 13.481 1.00 0.02 H new ATOM 1271 N SER A 81 -7.169 4.022 11.309 1.00 0.01 N ATOM 1272 CA SER A 81 -8.211 3.702 10.286 1.00 0.01 C ATOM 1273 C SER A 81 -7.731 2.581 9.371 1.00 0.02 C ATOM 1274 O SER A 81 -6.549 2.338 9.222 1.00 0.01 O ATOM 1275 CB SER A 81 -8.500 4.948 9.452 1.00 0.01 C ATOM 1276 OG SER A 81 -7.358 5.267 8.669 1.00 0.01 O ATOM 0 H SER A 81 -6.212 3.773 11.058 1.00 0.01 H new ATOM 0 HA SER A 81 -9.118 3.377 10.795 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.361 4.775 8.806 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.753 5.784 10.103 1.00 0.01 H new ATOM 0 HG SER A 81 -7.042 6.165 8.902 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.658 1.896 8.753 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.288 0.778 7.831 1.00 0.01 C ATOM 1284 C CYS A 82 -9.274 0.731 6.661 1.00 0.01 C ATOM 1285 O CYS A 82 -10.435 1.059 6.803 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.325 -0.553 8.588 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.224 -0.467 10.021 1.00 0.02 S ATOM 0 H CYS A 82 -9.660 2.063 8.847 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.281 0.945 7.450 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.343 -0.771 8.911 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.019 -1.366 7.930 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.986 -1.668 10.458 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.822 0.318 5.504 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.729 0.238 4.313 1.00 0.01 C ATOM 1295 C ARG A 83 -9.472 -1.075 3.575 1.00 0.01 C ATOM 1296 O ARG A 83 -8.348 -1.520 3.444 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.419 1.391 3.353 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.900 2.713 3.957 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.229 3.885 3.227 1.00 0.01 C ATOM 1300 NE ARG A 83 -9.039 3.532 1.791 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.764 4.465 0.921 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.649 5.705 1.309 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.602 4.159 -0.337 1.00 0.01 N ATOM 0 H ARG A 83 -7.859 0.031 5.330 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.765 0.295 4.648 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.347 1.437 3.160 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.908 1.219 2.394 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.984 2.791 3.872 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.660 2.748 5.020 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.843 4.781 3.314 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -8.267 4.112 3.687 1.00 0.01 H new ATOM 0 HE ARG A 83 -9.124 2.562 1.489 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.774 5.945 2.292 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.434 6.434 0.629 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.690 3.190 -0.642 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.387 4.889 -1.016 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.511 -1.705 3.092 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.334 -2.991 2.366 1.00 0.01 C ATOM 1319 C ALA A 84 -9.876 -2.706 0.938 1.00 0.01 C ATOM 1320 O ALA A 84 -10.439 -1.889 0.236 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.666 -3.743 2.316 1.00 0.43 C ATOM 0 H ALA A 84 -11.475 -1.381 3.171 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.590 -3.596 2.884 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.532 -4.685 1.783 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.008 -3.946 3.331 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.408 -3.135 1.798 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.870 -3.405 0.499 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.367 -3.228 -0.888 1.00 0.01 C ATOM 1329 C VAL A 85 -9.095 -4.219 -1.799 1.00 0.01 C ATOM 1330 O VAL A 85 -9.070 -5.414 -1.575 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.860 -3.489 -0.929 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.324 -3.160 -2.324 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.162 -2.600 0.106 1.00 1.12 C ATOM 0 H VAL A 85 -8.368 -4.101 1.050 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.553 -2.209 -1.227 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.665 -4.537 -0.702 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.250 -3.346 -2.354 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.822 -3.788 -3.063 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.517 -2.111 -2.550 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.088 -2.784 0.079 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.356 -1.552 -0.124 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.544 -2.830 1.100 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.736 -3.742 -2.828 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.456 -4.662 -3.751 1.00 0.01 C ATOM 1345 C HIS A 86 -9.481 -5.104 -4.834 1.00 0.01 C ATOM 1346 O HIS A 86 -8.734 -4.316 -5.379 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.633 -3.925 -4.392 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.417 -3.212 -3.324 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.087 -1.938 -2.892 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.517 -3.583 -2.593 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.974 -1.590 -1.940 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.869 -2.558 -1.720 1.00 1.71 N ATOM 0 H HIS A 86 -9.793 -2.753 -3.070 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.834 -5.527 -3.206 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.270 -3.210 -5.131 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.275 -4.631 -4.920 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -14.032 -4.528 -2.682 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.963 -0.644 -1.418 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.643 -2.548 -1.056 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.483 -6.376 -5.137 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.560 -6.918 -6.173 1.00 0.01 C ATOM 1362 C LEU A 87 -9.325 -7.123 -7.478 1.00 0.01 C ATOM 1363 O LEU A 87 -10.433 -7.620 -7.483 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.013 -8.280 -5.704 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.785 -8.263 -4.194 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.208 -9.607 -3.754 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.798 -7.152 -3.847 1.00 1.34 C ATOM 0 H LEU A 87 -10.093 -7.069 -4.704 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.740 -6.217 -6.328 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.715 -9.072 -5.965 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.078 -8.502 -6.218 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.731 -8.087 -3.682 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.044 -9.597 -2.676 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.907 -10.404 -4.008 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.260 -9.780 -4.263 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.632 -7.136 -2.770 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.852 -7.333 -4.357 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.204 -6.192 -4.166 1.00 1.34 H new ATOM 1379 N SER A 88 -8.720 -6.791 -8.589 1.00 0.01 N ATOM 1380 CA SER A 88 -9.369 -7.006 -9.915 1.00 0.01 C ATOM 1381 C SER A 88 -8.585 -8.094 -10.644 1.00 0.01 C ATOM 1382 O SER A 88 -7.406 -7.928 -10.891 1.00 0.01 O ATOM 1383 CB SER A 88 -9.336 -5.705 -10.717 1.00 0.81 C ATOM 1384 OG SER A 88 -8.063 -5.563 -11.331 1.00 1.08 O ATOM 0 H SER A 88 -7.790 -6.374 -8.633 1.00 0.01 H new ATOM 0 HA SER A 88 -10.409 -7.309 -9.793 1.00 0.01 H new ATOM 0 HB2 SER A 88 -10.119 -5.712 -11.475 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.533 -4.856 -10.063 1.00 0.81 H new ATOM 0 HG SER A 88 -7.423 -6.169 -10.902 1.00 1.08 H new ATOM 1390 N SER A 89 -9.207 -9.179 -11.040 1.00 0.01 N ATOM 1391 CA SER A 89 -8.463 -10.231 -11.805 1.00 0.01 C ATOM 1392 C SER A 89 -9.047 -10.288 -13.209 1.00 0.01 C ATOM 1393 O SER A 89 -10.251 -10.263 -13.369 1.00 0.01 O ATOM 1394 CB SER A 89 -8.632 -11.614 -11.172 1.00 0.43 C ATOM 1395 OG SER A 89 -10.014 -11.854 -10.932 1.00 1.26 O ATOM 0 H SER A 89 -10.192 -9.381 -10.868 1.00 0.01 H new ATOM 0 HA SER A 89 -7.403 -9.975 -11.807 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.227 -12.381 -11.832 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.073 -11.670 -10.238 1.00 0.43 H new ATOM 0 HG SER A 89 -10.552 -11.320 -11.554 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.251 -10.320 -14.241 1.00 0.01 N ATOM 1402 CA GLY A 90 -8.883 -10.324 -15.603 1.00 0.00 C ATOM 1403 C GLY A 90 -7.945 -10.833 -16.720 1.00 0.00 C ATOM 1404 O GLY A 90 -8.355 -11.638 -17.533 1.00 0.01 O ATOM 0 H GLY A 90 -7.232 -10.343 -14.214 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -9.776 -10.948 -15.578 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.208 -9.312 -15.846 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.704 -10.400 -16.794 1.00 0.00 N ATOM 1409 CA GLY A 91 -5.833 -10.917 -17.883 1.00 0.00 C ATOM 1410 C GLY A 91 -4.357 -10.605 -17.608 1.00 0.00 C ATOM 1411 O GLY A 91 -3.726 -11.262 -16.803 1.00 0.01 O ATOM 0 H GLY A 91 -6.272 -9.727 -16.160 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.968 -11.994 -17.980 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.131 -10.472 -18.833 1.00 0.00 H new ATOM 1415 N GLN A 92 -3.801 -9.618 -18.269 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.353 -9.268 -18.050 1.00 2.31 C ATOM 1417 C GLN A 92 -2.228 -7.826 -17.550 1.00 1.91 C ATOM 1418 O GLN A 92 -2.629 -6.884 -18.204 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.597 -9.451 -19.374 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.099 -9.642 -19.101 1.00 2.86 C ATOM 1421 CD GLN A 92 0.456 -8.414 -18.376 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.736 -8.467 -17.193 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.627 -7.300 -19.037 1.00 4.43 N ATOM 0 H GLN A 92 -4.285 -9.036 -18.953 1.00 1.80 H new ATOM 0 HA GLN A 92 -1.922 -9.924 -17.293 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -1.990 -10.315 -19.910 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -1.751 -8.582 -20.013 1.00 2.11 H new ATOM 0 HG2 GLN A 92 0.059 -10.535 -18.496 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.435 -9.794 -20.039 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.393 -7.254 -20.029 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.995 -6.476 -18.561 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.678 -7.664 -16.373 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.528 -6.294 -15.800 1.00 0.01 C ATOM 1434 C ALA A 93 -0.382 -5.574 -16.512 1.00 0.01 C ATOM 1435 O ALA A 93 0.705 -6.099 -16.652 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.204 -6.400 -14.307 1.00 2.99 C ATOM 0 H ALA A 93 -1.327 -8.421 -15.786 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.455 -5.738 -15.935 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.094 -5.400 -13.887 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.013 -6.922 -13.795 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.274 -6.953 -14.175 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.626 -4.373 -16.969 1.00 0.00 N ATOM 1443 CA LYS A 94 0.427 -3.593 -17.688 1.00 0.01 C ATOM 1444 C LYS A 94 0.486 -2.173 -17.115 1.00 0.01 C ATOM 1445 O LYS A 94 -0.533 -1.566 -16.851 1.00 0.01 O ATOM 1446 CB LYS A 94 0.045 -3.543 -19.168 1.00 2.49 C ATOM 1447 CG LYS A 94 1.189 -2.921 -19.975 1.00 3.43 C ATOM 1448 CD LYS A 94 0.962 -3.182 -21.466 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.306 -2.461 -21.930 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.302 -2.357 -23.417 1.00 6.36 N ATOM 0 H LYS A 94 -1.521 -3.893 -16.874 1.00 0.00 H new ATOM 0 HA LYS A 94 1.405 -4.060 -17.568 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.166 -4.548 -19.533 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.865 -2.958 -19.299 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.240 -1.849 -19.786 1.00 3.43 H new ATOM 0 HG3 LYS A 94 2.143 -3.346 -19.661 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.820 -2.834 -22.041 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.870 -4.253 -21.647 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -1.190 -3.004 -21.595 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.356 -1.467 -21.485 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.163 -1.867 -23.733 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.534 -1.821 -23.725 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.274 -3.310 -23.832 1.00 6.36 H new ATOM 1464 N ILE A 95 1.672 -1.640 -16.922 1.00 0.00 N ATOM 1465 CA ILE A 95 1.800 -0.251 -16.362 1.00 0.01 C ATOM 1466 C ILE A 95 2.693 0.585 -17.275 1.00 0.01 C ATOM 1467 O ILE A 95 3.664 0.107 -17.832 1.00 0.01 O ATOM 1468 CB ILE A 95 2.419 -0.311 -14.963 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.434 1.095 -14.358 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.851 -0.836 -15.053 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.730 1.008 -12.859 1.00 1.09 C ATOM 0 H ILE A 95 2.556 -2.105 -17.127 1.00 0.00 H new ATOM 0 HA ILE A 95 0.811 0.203 -16.300 1.00 0.01 H new ATOM 0 HB ILE A 95 1.829 -0.979 -14.335 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.189 1.706 -14.853 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.473 1.582 -14.521 1.00 0.30 H new ATOM 0 HG21 ILE A 95 4.287 -0.877 -14.055 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.845 -1.836 -15.488 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.444 -0.171 -15.681 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.740 2.011 -12.431 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.959 0.412 -12.370 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.702 0.539 -12.707 1.00 1.09 H new ATOM 1483 N GLN A 96 2.388 1.854 -17.386 1.00 0.01 N ATOM 1484 CA GLN A 96 3.216 2.791 -18.204 1.00 0.01 C ATOM 1485 C GLN A 96 3.690 3.916 -17.281 1.00 0.01 C ATOM 1486 O GLN A 96 2.900 4.491 -16.554 1.00 0.00 O ATOM 1487 CB GLN A 96 2.387 3.362 -19.357 1.00 0.53 C ATOM 1488 CG GLN A 96 0.983 3.703 -18.865 1.00 0.82 C ATOM 1489 CD GLN A 96 0.183 4.324 -20.011 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.996 4.069 -20.155 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.780 5.132 -20.842 1.00 2.05 N ATOM 0 H GLN A 96 1.583 2.288 -16.934 1.00 0.01 H new ATOM 0 HA GLN A 96 4.070 2.268 -18.635 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.869 4.254 -19.756 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.332 2.638 -20.170 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.484 2.804 -18.503 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.038 4.397 -18.026 1.00 0.82 H new ATOM 0 HE21 GLN A 96 1.770 5.347 -20.722 1.00 2.05 H new ATOM 0 HE22 GLN A 96 0.257 5.549 -21.612 1.00 2.05 H new ATOM 1500 N VAL A 97 4.956 4.250 -17.293 1.00 0.01 N ATOM 1501 CA VAL A 97 5.466 5.349 -16.404 1.00 0.01 C ATOM 1502 C VAL A 97 6.154 6.413 -17.257 1.00 0.01 C ATOM 1503 O VAL A 97 6.739 6.119 -18.280 1.00 0.01 O ATOM 1504 CB VAL A 97 6.472 4.771 -15.407 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.810 3.657 -14.592 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.670 4.200 -16.168 1.00 1.03 C ATOM 0 H VAL A 97 5.664 3.810 -17.881 1.00 0.01 H new ATOM 0 HA VAL A 97 4.632 5.797 -15.863 1.00 0.01 H new ATOM 0 HB VAL A 97 6.807 5.560 -14.734 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.530 3.248 -13.883 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.956 4.062 -14.049 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.472 2.867 -15.263 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.388 3.788 -15.459 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.332 3.413 -16.841 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.145 4.993 -16.746 1.00 1.03 H new ATOM 1516 N PHE A 98 6.061 7.657 -16.846 1.00 0.01 N ATOM 1517 CA PHE A 98 6.680 8.775 -17.633 1.00 0.01 C ATOM 1518 C PHE A 98 7.754 9.492 -16.808 1.00 0.01 C ATOM 1519 O PHE A 98 7.628 9.685 -15.615 1.00 0.01 O ATOM 1520 CB PHE A 98 5.593 9.779 -18.014 1.00 0.25 C ATOM 1521 CG PHE A 98 4.716 9.188 -19.094 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.747 8.233 -18.764 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.864 9.604 -20.423 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.928 7.692 -19.761 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.046 9.065 -21.420 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.076 8.109 -21.090 1.00 0.69 C ATOM 0 H PHE A 98 5.580 7.948 -15.995 1.00 0.01 H new ATOM 0 HA PHE A 98 7.145 8.358 -18.526 1.00 0.01 H new ATOM 0 HB2 PHE A 98 4.992 10.030 -17.140 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.046 10.706 -18.366 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.632 7.914 -17.739 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.611 10.342 -20.678 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.182 6.953 -19.506 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.162 9.385 -22.445 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.443 7.694 -21.860 1.00 0.69 H new ATOM 1536 N GLU A 99 8.824 9.855 -17.457 1.00 0.01 N ATOM 1537 CA GLU A 99 9.950 10.532 -16.754 1.00 0.01 C ATOM 1538 C GLU A 99 9.533 11.913 -16.229 1.00 0.01 C ATOM 1539 O GLU A 99 10.056 12.371 -15.232 1.00 0.01 O ATOM 1540 CB GLU A 99 11.128 10.692 -17.723 1.00 0.01 C ATOM 1541 CG GLU A 99 12.251 11.485 -17.044 1.00 0.01 C ATOM 1542 CD GLU A 99 13.558 11.283 -17.814 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.486 10.977 -18.993 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.608 11.442 -17.213 1.00 0.01 O ATOM 0 H GLU A 99 8.969 9.710 -18.456 1.00 0.01 H new ATOM 0 HA GLU A 99 10.240 9.917 -15.902 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.495 9.712 -18.029 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.801 11.207 -18.626 1.00 0.01 H new ATOM 0 HG2 GLU A 99 11.995 12.544 -17.013 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.370 11.156 -16.012 1.00 0.01 H new ATOM 1551 N LYS A 100 8.610 12.586 -16.882 1.00 0.01 N ATOM 1552 CA LYS A 100 8.180 13.948 -16.404 1.00 0.01 C ATOM 1553 C LYS A 100 6.701 13.936 -16.004 1.00 0.01 C ATOM 1554 O LYS A 100 5.969 13.006 -16.282 1.00 0.01 O ATOM 1555 CB LYS A 100 8.402 14.983 -17.510 1.00 0.94 C ATOM 1556 CG LYS A 100 9.883 15.011 -17.892 1.00 1.63 C ATOM 1557 CD LYS A 100 10.083 15.923 -19.104 1.00 2.19 C ATOM 1558 CE LYS A 100 11.572 16.237 -19.269 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.316 14.974 -19.530 1.00 3.18 N ATOM 0 H LYS A 100 8.136 12.254 -17.722 1.00 0.01 H new ATOM 0 HA LYS A 100 8.779 14.212 -15.532 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.795 14.736 -18.381 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.084 15.969 -17.170 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.479 15.369 -17.052 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.229 14.003 -18.121 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.701 15.439 -20.003 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.518 16.846 -18.974 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.719 16.936 -20.093 1.00 2.84 H new ATOM 0 HE3 LYS A 100 11.955 16.719 -18.370 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.282 15.198 -19.842 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 12.356 14.408 -18.658 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.830 14.432 -20.273 1.00 3.18 H new ATOM 1573 N GLY A 101 6.266 14.980 -15.357 1.00 0.01 N ATOM 1574 CA GLY A 101 4.845 15.074 -14.907 1.00 0.01 C ATOM 1575 C GLY A 101 3.894 15.144 -16.106 1.00 0.00 C ATOM 1576 O GLY A 101 4.300 15.334 -17.241 1.00 0.01 O ATOM 0 H GLY A 101 6.842 15.786 -15.116 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.597 14.210 -14.291 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.715 15.958 -14.283 1.00 0.01 H new ATOM 1580 N ASP A 102 2.618 15.001 -15.829 1.00 0.01 N ATOM 1581 CA ASP A 102 1.574 15.074 -16.892 1.00 0.00 C ATOM 1582 C ASP A 102 1.896 14.130 -18.046 1.00 0.00 C ATOM 1583 O ASP A 102 1.693 14.443 -19.201 1.00 0.01 O ATOM 1584 CB ASP A 102 1.483 16.511 -17.413 1.00 0.01 C ATOM 1585 CG ASP A 102 1.218 17.460 -16.244 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.623 17.021 -15.275 1.00 0.01 O ATOM 1587 OD2 ASP A 102 1.616 18.611 -16.336 1.00 0.01 O ATOM 0 H ASP A 102 2.254 14.834 -14.891 1.00 0.01 H new ATOM 0 HA ASP A 102 0.620 14.771 -16.461 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.410 16.786 -17.916 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.684 16.592 -18.150 1.00 0.01 H new ATOM 1592 N PHE A 103 2.376 12.962 -17.731 1.00 0.01 N ATOM 1593 CA PHE A 103 2.693 11.962 -18.785 1.00 0.01 C ATOM 1594 C PHE A 103 3.585 12.576 -19.866 1.00 0.00 C ATOM 1595 O PHE A 103 3.297 12.480 -21.043 1.00 0.01 O ATOM 1596 CB PHE A 103 1.395 11.464 -19.431 1.00 0.01 C ATOM 1597 CG PHE A 103 0.360 11.172 -18.363 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.651 10.272 -17.327 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.897 11.789 -18.416 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.308 9.998 -16.347 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.855 11.512 -17.437 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.563 10.617 -16.402 1.00 0.01 C ATOM 0 H PHE A 103 2.564 12.654 -16.777 1.00 0.01 H new ATOM 0 HA PHE A 103 3.222 11.131 -18.320 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.013 12.214 -20.123 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.592 10.564 -20.014 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.617 9.790 -17.286 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -1.126 12.479 -19.214 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.081 9.309 -15.547 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.823 11.990 -17.479 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.305 10.404 -15.646 1.00 0.01 H new ATOM 1612 N ASN A 104 4.676 13.187 -19.480 1.00 0.00 N ATOM 1613 CA ASN A 104 5.615 13.789 -20.488 1.00 0.01 C ATOM 1614 C ASN A 104 7.011 13.209 -20.260 1.00 0.01 C ATOM 1615 O ASN A 104 7.278 12.604 -19.240 1.00 0.01 O ATOM 1616 CB ASN A 104 5.661 15.307 -20.309 1.00 1.68 C ATOM 1617 CG ASN A 104 4.339 15.916 -20.779 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.810 16.807 -20.146 1.00 3.15 O ATOM 1619 ND2 ASN A 104 3.778 15.469 -21.869 1.00 2.38 N ATOM 0 H ASN A 104 4.962 13.298 -18.507 1.00 0.00 H new ATOM 0 HA ASN A 104 5.272 13.560 -21.497 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.836 15.555 -19.262 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.490 15.726 -20.879 1.00 1.68 H new ATOM 0 HD21 ASN A 104 2.896 15.868 -22.189 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.222 14.721 -22.401 1.00 2.38 H new ATOM 1626 N GLY A 105 7.908 13.371 -21.199 1.00 0.01 N ATOM 1627 CA GLY A 105 9.284 12.815 -21.026 1.00 0.01 C ATOM 1628 C GLY A 105 9.355 11.431 -21.669 1.00 0.01 C ATOM 1629 O GLY A 105 8.479 11.043 -22.418 1.00 0.01 O ATOM 0 H GLY A 105 7.747 13.864 -22.077 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.017 13.479 -21.484 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.531 12.749 -19.966 1.00 0.01 H new ATOM 1633 N GLN A 106 10.373 10.672 -21.372 1.00 0.01 N ATOM 1634 CA GLN A 106 10.475 9.306 -21.954 1.00 0.01 C ATOM 1635 C GLN A 106 9.481 8.400 -21.227 1.00 0.01 C ATOM 1636 O GLN A 106 9.227 8.561 -20.049 1.00 0.01 O ATOM 1637 CB GLN A 106 11.897 8.772 -21.766 1.00 0.01 C ATOM 1638 CG GLN A 106 12.080 7.503 -22.603 1.00 0.01 C ATOM 1639 CD GLN A 106 13.528 7.024 -22.485 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.967 6.179 -23.241 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.295 7.537 -21.562 1.00 0.01 N ATOM 0 H GLN A 106 11.138 10.939 -20.752 1.00 0.01 H new ATOM 0 HA GLN A 106 10.248 9.332 -23.020 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.623 9.527 -22.067 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.080 8.556 -20.713 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.398 6.725 -22.259 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.835 7.703 -23.646 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.926 8.246 -20.928 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.263 7.229 -21.475 1.00 0.01 H new ATOM 1650 N MET A 107 8.905 7.463 -21.938 1.00 0.01 N ATOM 1651 CA MET A 107 7.903 6.537 -21.317 1.00 0.01 C ATOM 1652 C MET A 107 8.422 5.101 -21.352 1.00 0.01 C ATOM 1653 O MET A 107 9.028 4.665 -22.310 1.00 0.01 O ATOM 1654 CB MET A 107 6.591 6.608 -22.108 1.00 0.00 C ATOM 1655 CG MET A 107 5.518 5.745 -21.429 1.00 0.01 C ATOM 1656 SD MET A 107 5.748 4.006 -21.886 1.00 0.01 S ATOM 1657 CE MET A 107 4.566 3.957 -23.258 1.00 0.01 C ATOM 0 H MET A 107 9.086 7.297 -22.928 1.00 0.01 H new ATOM 0 HA MET A 107 7.737 6.837 -20.282 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.251 7.642 -22.171 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.754 6.263 -23.129 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.580 5.857 -20.347 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.525 6.081 -21.728 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.551 2.956 -23.690 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.571 4.209 -22.890 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.864 4.677 -24.021 1.00 0.01 H new ATOM 1667 N TYR A 108 8.153 4.360 -20.311 1.00 0.01 N ATOM 1668 CA TYR A 108 8.580 2.929 -20.239 1.00 0.00 C ATOM 1669 C TYR A 108 7.363 2.096 -19.817 1.00 0.01 C ATOM 1670 O TYR A 108 6.617 2.469 -18.932 1.00 0.01 O ATOM 1671 CB TYR A 108 9.692 2.771 -19.199 1.00 0.54 C ATOM 1672 CG TYR A 108 10.993 3.276 -19.776 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.758 2.450 -20.608 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.432 4.572 -19.481 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.961 2.919 -21.146 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.636 5.041 -20.018 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.401 4.215 -20.851 1.00 1.82 C ATOM 1678 OH TYR A 108 14.587 4.678 -21.382 1.00 2.48 O ATOM 0 H TYR A 108 7.645 4.691 -19.491 1.00 0.01 H new ATOM 0 HA TYR A 108 8.956 2.597 -21.207 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.442 3.327 -18.296 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.791 1.724 -18.912 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.419 1.450 -20.835 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.842 5.210 -18.839 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.550 2.282 -21.789 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.976 6.041 -19.790 1.00 1.51 H new ATOM 0 HH TYR A 108 14.457 4.903 -22.327 1.00 2.48 H new ATOM 1688 N GLU A 109 7.147 0.983 -20.473 1.00 0.01 N ATOM 1689 CA GLU A 109 5.966 0.111 -20.162 1.00 0.01 C ATOM 1690 C GLU A 109 6.444 -1.291 -19.786 1.00 0.01 C ATOM 1691 O GLU A 109 7.317 -1.848 -20.421 1.00 0.01 O ATOM 1692 CB GLU A 109 5.083 0.046 -21.412 1.00 0.01 C ATOM 1693 CG GLU A 109 3.757 -0.644 -21.078 1.00 0.01 C ATOM 1694 CD GLU A 109 2.750 -0.382 -22.200 1.00 0.00 C ATOM 1695 OE1 GLU A 109 3.073 -0.675 -23.339 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.673 0.106 -21.899 1.00 0.00 O ATOM 0 H GLU A 109 7.746 0.635 -21.222 1.00 0.01 H new ATOM 0 HA GLU A 109 5.402 0.519 -19.324 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.895 1.052 -21.788 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.597 -0.499 -22.203 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.913 -1.716 -20.957 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.368 -0.270 -20.131 1.00 0.01 H new ATOM 1703 N THR A 110 5.888 -1.870 -18.749 1.00 0.01 N ATOM 1704 CA THR A 110 6.332 -3.237 -18.338 1.00 0.00 C ATOM 1705 C THR A 110 5.173 -4.014 -17.700 1.00 0.01 C ATOM 1706 O THR A 110 4.227 -3.453 -17.179 1.00 0.01 O ATOM 1707 CB THR A 110 7.478 -3.124 -17.328 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.625 -4.358 -16.640 1.00 1.65 O ATOM 1709 CG2 THR A 110 7.168 -2.009 -16.329 1.00 1.69 C ATOM 0 H THR A 110 5.152 -1.459 -18.175 1.00 0.01 H new ATOM 0 HA THR A 110 6.670 -3.772 -19.226 1.00 0.00 H new ATOM 0 HB THR A 110 8.405 -2.891 -17.851 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.359 -4.287 -15.995 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.983 -1.928 -15.610 1.00 1.69 H new ATOM 0 HG22 THR A 110 7.058 -1.064 -16.861 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.241 -2.239 -15.803 1.00 1.69 H new ATOM 1717 N THR A 111 5.252 -5.317 -17.774 1.00 0.00 N ATOM 1718 CA THR A 111 4.184 -6.200 -17.206 1.00 0.01 C ATOM 1719 C THR A 111 4.724 -6.960 -15.989 1.00 0.01 C ATOM 1720 O THR A 111 4.083 -7.863 -15.490 1.00 0.01 O ATOM 1721 CB THR A 111 3.747 -7.207 -18.275 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.849 -8.033 -18.625 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.251 -6.459 -19.514 1.00 0.01 C ATOM 0 H THR A 111 6.025 -5.818 -18.212 1.00 0.00 H new ATOM 0 HA THR A 111 3.336 -5.588 -16.898 1.00 0.01 H new ATOM 0 HB THR A 111 2.940 -7.826 -17.882 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.570 -8.679 -19.307 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.941 -7.177 -20.273 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.404 -5.828 -19.244 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.054 -5.837 -19.910 1.00 0.01 H new ATOM 1731 N GLU A 112 5.910 -6.628 -15.529 1.00 0.01 N ATOM 1732 CA GLU A 112 6.509 -7.365 -14.362 1.00 0.01 C ATOM 1733 C GLU A 112 6.812 -6.416 -13.198 1.00 0.01 C ATOM 1734 O GLU A 112 6.883 -5.213 -13.355 1.00 0.01 O ATOM 1735 CB GLU A 112 7.817 -8.021 -14.811 1.00 0.85 C ATOM 1736 CG GLU A 112 7.568 -8.847 -16.075 1.00 1.61 C ATOM 1737 CD GLU A 112 8.887 -9.464 -16.546 1.00 2.51 C ATOM 1738 OE1 GLU A 112 9.685 -9.827 -15.697 1.00 3.07 O ATOM 1739 OE2 GLU A 112 9.075 -9.563 -17.746 1.00 3.21 O ATOM 0 H GLU A 112 6.490 -5.880 -15.909 1.00 0.01 H new ATOM 0 HA GLU A 112 5.791 -8.112 -14.023 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.571 -7.258 -15.005 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.207 -8.659 -14.018 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.839 -9.631 -15.873 1.00 1.61 H new ATOM 0 HG3 GLU A 112 7.148 -8.216 -16.859 1.00 1.61 H new ATOM 1746 N ASP A 113 7.016 -6.970 -12.031 1.00 0.01 N ATOM 1747 CA ASP A 113 7.350 -6.137 -10.838 1.00 0.01 C ATOM 1748 C ASP A 113 8.740 -5.535 -11.052 1.00 0.00 C ATOM 1749 O ASP A 113 9.557 -6.081 -11.768 1.00 0.01 O ATOM 1750 CB ASP A 113 7.369 -7.030 -9.590 1.00 0.01 C ATOM 1751 CG ASP A 113 7.954 -8.396 -9.953 1.00 0.01 C ATOM 1752 OD1 ASP A 113 9.167 -8.523 -9.932 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.178 -9.292 -10.243 1.00 0.00 O ATOM 0 H ASP A 113 6.965 -7.973 -11.852 1.00 0.01 H new ATOM 0 HA ASP A 113 6.611 -5.346 -10.705 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.964 -6.564 -8.805 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.359 -7.147 -9.197 1.00 0.01 H new ATOM 1758 N CYS A 114 9.026 -4.430 -10.402 1.00 0.01 N ATOM 1759 CA CYS A 114 10.381 -3.799 -10.519 1.00 0.01 C ATOM 1760 C CYS A 114 10.960 -3.604 -9.101 1.00 0.01 C ATOM 1761 O CYS A 114 10.448 -2.785 -8.357 1.00 0.01 O ATOM 1762 CB CYS A 114 10.238 -2.426 -11.172 1.00 0.01 C ATOM 1763 SG CYS A 114 11.855 -1.616 -11.225 1.00 0.01 S ATOM 0 H CYS A 114 8.375 -3.936 -9.792 1.00 0.01 H new ATOM 0 HA CYS A 114 11.035 -4.434 -11.117 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.838 -2.530 -12.180 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.531 -1.815 -10.610 1.00 0.01 H new ATOM 0 HG CYS A 114 12.792 -2.509 -11.101 1.00 0.01 H new ATOM 1769 N PRO A 115 12.015 -4.305 -8.708 1.00 0.01 N ATOM 1770 CA PRO A 115 12.586 -4.101 -7.345 1.00 0.01 C ATOM 1771 C PRO A 115 13.371 -2.788 -7.267 1.00 0.01 C ATOM 1772 O PRO A 115 13.479 -2.184 -6.217 1.00 0.01 O ATOM 1773 CB PRO A 115 13.504 -5.326 -7.185 1.00 0.01 C ATOM 1774 CG PRO A 115 13.754 -5.916 -8.585 1.00 0.01 C ATOM 1775 CD PRO A 115 12.702 -5.333 -9.550 1.00 0.01 C ATOM 0 HA PRO A 115 11.834 -4.023 -6.560 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.446 -5.038 -6.718 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.040 -6.068 -6.535 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.760 -5.671 -8.926 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.683 -7.003 -8.557 1.00 0.01 H new ATOM 0 HD2 PRO A 115 13.164 -4.890 -10.433 1.00 0.01 H new ATOM 0 HD3 PRO A 115 12.009 -6.097 -9.902 1.00 0.01 H new ATOM 1783 N SER A 116 13.928 -2.349 -8.364 1.00 0.01 N ATOM 1784 CA SER A 116 14.713 -1.081 -8.359 1.00 0.02 C ATOM 1785 C SER A 116 14.456 -0.332 -9.669 1.00 0.01 C ATOM 1786 O SER A 116 14.872 -0.745 -10.737 1.00 0.00 O ATOM 1787 CB SER A 116 16.201 -1.414 -8.223 1.00 0.01 C ATOM 1788 OG SER A 116 16.489 -2.592 -8.968 1.00 0.01 O ATOM 0 H SER A 116 13.872 -2.817 -9.268 1.00 0.01 H new ATOM 0 HA SER A 116 14.411 -0.452 -7.522 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.806 -0.583 -8.586 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.458 -1.561 -7.174 1.00 0.01 H new ATOM 0 HG SER A 116 17.289 -3.024 -8.601 1.00 0.01 H new ATOM 1794 N ILE A 117 13.733 0.753 -9.583 1.00 0.01 N ATOM 1795 CA ILE A 117 13.391 1.544 -10.796 1.00 0.01 C ATOM 1796 C ILE A 117 14.656 2.090 -11.449 1.00 0.01 C ATOM 1797 O ILE A 117 14.749 2.157 -12.658 1.00 0.00 O ATOM 1798 CB ILE A 117 12.482 2.708 -10.386 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.139 2.157 -9.897 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.244 3.634 -11.581 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.340 3.271 -9.212 1.00 1.83 C ATOM 0 H ILE A 117 13.361 1.128 -8.710 1.00 0.01 H new ATOM 0 HA ILE A 117 12.880 0.902 -11.513 1.00 0.01 H new ATOM 0 HB ILE A 117 12.963 3.272 -9.587 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.573 1.755 -10.737 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.304 1.335 -9.201 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.597 4.458 -11.280 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.198 4.030 -11.930 1.00 0.93 H new ATOM 0 HG23 ILE A 117 11.768 3.074 -12.386 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.386 2.874 -8.866 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.904 3.653 -8.361 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.161 4.079 -9.921 1.00 1.83 H new ATOM 1813 N MET A 118 15.617 2.507 -10.673 1.00 0.02 N ATOM 1814 CA MET A 118 16.849 3.077 -11.284 1.00 0.01 C ATOM 1815 C MET A 118 17.642 1.987 -12.002 1.00 0.01 C ATOM 1816 O MET A 118 18.217 2.221 -13.041 1.00 0.02 O ATOM 1817 CB MET A 118 17.721 3.727 -10.210 1.00 0.24 C ATOM 1818 CG MET A 118 18.828 4.544 -10.876 1.00 0.63 C ATOM 1819 SD MET A 118 19.932 5.208 -9.602 1.00 1.20 S ATOM 1820 CE MET A 118 20.985 6.187 -10.700 1.00 1.34 C ATOM 0 H MET A 118 15.604 2.479 -9.653 1.00 0.02 H new ATOM 0 HA MET A 118 16.553 3.835 -12.010 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.113 4.370 -9.573 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.156 2.961 -9.568 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.390 3.919 -11.570 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.395 5.357 -11.458 1.00 0.63 H new ATOM 0 HE1 MET A 118 21.752 6.693 -10.113 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.460 5.531 -11.429 1.00 1.34 H new ATOM 0 HE3 MET A 118 20.378 6.928 -11.220 1.00 1.34 H new ATOM 1830 N GLU A 119 17.691 0.801 -11.475 1.00 0.01 N ATOM 1831 CA GLU A 119 18.470 -0.265 -12.163 1.00 0.02 C ATOM 1832 C GLU A 119 17.765 -0.674 -13.458 1.00 0.02 C ATOM 1833 O GLU A 119 18.397 -0.971 -14.454 1.00 0.01 O ATOM 1834 CB GLU A 119 18.590 -1.480 -11.245 1.00 0.30 C ATOM 1835 CG GLU A 119 19.556 -1.164 -10.101 1.00 0.99 C ATOM 1836 CD GLU A 119 19.541 -2.310 -9.089 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.256 -3.274 -9.306 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.816 -2.205 -8.114 1.00 2.11 O ATOM 0 H GLU A 119 17.232 0.522 -10.608 1.00 0.01 H new ATOM 0 HA GLU A 119 19.463 0.115 -12.401 1.00 0.02 H new ATOM 0 HB2 GLU A 119 17.611 -1.745 -10.845 1.00 0.30 H new ATOM 0 HB3 GLU A 119 18.948 -2.341 -11.809 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.564 -1.022 -10.491 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.268 -0.232 -9.615 1.00 0.99 H new ATOM 1845 N GLN A 120 16.462 -0.750 -13.436 1.00 0.00 N ATOM 1846 CA GLN A 120 15.720 -1.206 -14.646 1.00 0.01 C ATOM 1847 C GLN A 120 15.571 -0.097 -15.692 1.00 0.01 C ATOM 1848 O GLN A 120 15.752 -0.328 -16.872 1.00 0.01 O ATOM 1849 CB GLN A 120 14.330 -1.684 -14.225 1.00 0.52 C ATOM 1850 CG GLN A 120 13.644 -2.370 -15.409 1.00 1.07 C ATOM 1851 CD GLN A 120 12.244 -2.829 -14.991 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.390 -3.049 -15.825 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.972 -2.980 -13.723 1.00 2.08 N ATOM 0 H GLN A 120 15.879 -0.516 -12.632 1.00 0.00 H new ATOM 0 HA GLN A 120 16.293 -2.014 -15.101 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.411 -2.376 -13.387 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.731 -0.839 -13.884 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.576 -1.683 -16.252 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.235 -3.224 -15.740 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.689 -2.795 -13.022 1.00 2.08 H new ATOM 0 HE22 GLN A 120 11.042 -3.283 -13.433 1.00 2.08 H new ATOM 1862 N PHE A 121 15.169 1.083 -15.279 1.00 0.02 N ATOM 1863 CA PHE A 121 14.919 2.189 -16.265 1.00 0.01 C ATOM 1864 C PHE A 121 15.933 3.328 -16.148 1.00 0.01 C ATOM 1865 O PHE A 121 15.859 4.298 -16.876 1.00 0.01 O ATOM 1866 CB PHE A 121 13.511 2.733 -16.034 1.00 0.01 C ATOM 1867 CG PHE A 121 12.513 1.619 -16.257 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.333 1.094 -17.542 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.774 1.104 -15.182 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.415 0.058 -17.755 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.857 0.068 -15.396 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.677 -0.454 -16.682 1.00 0.01 C ATOM 0 H PHE A 121 15.003 1.329 -14.303 1.00 0.02 H new ATOM 0 HA PHE A 121 15.024 1.775 -17.268 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.419 3.124 -15.021 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.310 3.561 -16.714 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.903 1.488 -18.370 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.912 1.507 -14.189 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.277 -0.346 -18.747 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.288 -0.329 -14.568 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.968 -1.252 -16.846 1.00 0.01 H new ATOM 1882 N HIS A 122 16.871 3.239 -15.248 1.00 0.01 N ATOM 1883 CA HIS A 122 17.870 4.335 -15.108 1.00 0.01 C ATOM 1884 C HIS A 122 17.157 5.636 -14.735 1.00 0.01 C ATOM 1885 O HIS A 122 17.564 6.710 -15.130 1.00 0.02 O ATOM 1886 CB HIS A 122 18.627 4.501 -16.433 1.00 0.01 C ATOM 1887 CG HIS A 122 18.853 3.150 -17.052 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.153 2.721 -18.171 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.696 2.119 -16.719 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.583 1.481 -18.467 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.525 1.066 -17.614 1.00 0.01 N ATOM 0 H HIS A 122 16.990 2.457 -14.604 1.00 0.01 H new ATOM 0 HA HIS A 122 18.581 4.089 -14.320 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.057 5.134 -17.113 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.581 4.998 -16.259 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.387 2.124 -15.889 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.212 0.892 -19.293 1.00 0.00 H new ATOM 0 HE2 HIS A 122 20.013 0.171 -17.618 1.00 0.01 H new ATOM 1899 N LEU A 123 16.094 5.545 -13.965 1.00 0.01 N ATOM 1900 CA LEU A 123 15.340 6.776 -13.544 1.00 0.01 C ATOM 1901 C LEU A 123 15.502 6.954 -12.030 1.00 0.02 C ATOM 1902 O LEU A 123 15.372 6.015 -11.271 1.00 0.01 O ATOM 1903 CB LEU A 123 13.846 6.603 -13.886 1.00 0.01 C ATOM 1904 CG LEU A 123 13.559 7.081 -15.327 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.268 6.434 -15.841 1.00 0.01 C ATOM 1906 CD2 LEU A 123 13.377 8.605 -15.355 1.00 0.01 C ATOM 0 H LEU A 123 15.714 4.668 -13.608 1.00 0.01 H new ATOM 0 HA LEU A 123 15.728 7.651 -14.066 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.562 5.556 -13.781 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.238 7.170 -13.181 1.00 0.01 H new ATOM 0 HG LEU A 123 14.402 6.797 -15.957 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.070 6.774 -16.857 1.00 0.01 H new ATOM 0 HD12 LEU A 123 12.378 5.350 -15.836 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.437 6.717 -15.195 1.00 0.01 H new ATOM 0 HD21 LEU A 123 13.175 8.929 -16.376 1.00 0.01 H new ATOM 0 HD22 LEU A 123 12.540 8.883 -14.714 1.00 0.01 H new ATOM 0 HD23 LEU A 123 14.286 9.087 -14.995 1.00 0.01 H new ATOM 1918 N ARG A 124 15.791 8.150 -11.587 1.00 0.01 N ATOM 1919 CA ARG A 124 15.969 8.387 -10.123 1.00 0.00 C ATOM 1920 C ARG A 124 14.630 8.787 -9.490 1.00 0.01 C ATOM 1921 O ARG A 124 14.440 8.670 -8.295 1.00 0.01 O ATOM 1922 CB ARG A 124 17.001 9.508 -9.897 1.00 1.67 C ATOM 1923 CG ARG A 124 16.838 10.616 -10.963 1.00 1.98 C ATOM 1924 CD ARG A 124 17.742 10.330 -12.173 1.00 2.92 C ATOM 1925 NE ARG A 124 17.215 11.051 -13.365 1.00 3.54 N ATOM 1926 CZ ARG A 124 17.967 11.203 -14.421 1.00 4.57 C ATOM 1927 NH1 ARG A 124 19.179 10.719 -14.435 1.00 5.25 N ATOM 1928 NH2 ARG A 124 17.507 11.841 -15.463 1.00 5.32 N ATOM 0 H ARG A 124 15.912 8.974 -12.176 1.00 0.01 H new ATOM 0 HA ARG A 124 16.325 7.468 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.874 9.932 -8.901 1.00 1.67 H new ATOM 0 HB3 ARG A 124 18.009 9.097 -9.942 1.00 1.67 H new ATOM 0 HG2 ARG A 124 15.798 10.672 -11.283 1.00 1.98 H new ATOM 0 HG3 ARG A 124 17.091 11.585 -10.532 1.00 1.98 H new ATOM 0 HD2 ARG A 124 18.762 10.650 -11.962 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.778 9.258 -12.369 1.00 2.92 H new ATOM 0 HE ARG A 124 16.266 11.426 -13.356 1.00 3.54 H new ATOM 0 HH11 ARG A 124 19.539 10.222 -13.620 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.766 10.838 -15.260 1.00 5.25 H new ATOM 0 HH21 ARG A 124 16.560 12.220 -15.452 1.00 5.32 H new ATOM 0 HH22 ARG A 124 18.094 11.960 -16.288 1.00 5.32 H new ATOM 1942 N GLU A 125 13.706 9.277 -10.278 1.00 0.01 N ATOM 1943 CA GLU A 125 12.388 9.705 -9.719 1.00 0.01 C ATOM 1944 C GLU A 125 11.291 9.519 -10.772 1.00 0.01 C ATOM 1945 O GLU A 125 11.563 9.390 -11.950 1.00 0.01 O ATOM 1946 CB GLU A 125 12.452 11.185 -9.337 1.00 0.01 C ATOM 1947 CG GLU A 125 13.404 11.371 -8.155 1.00 0.01 C ATOM 1948 CD GLU A 125 13.214 12.768 -7.562 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.735 13.710 -8.136 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.551 12.873 -6.544 1.00 0.02 O ATOM 0 H GLU A 125 13.808 9.399 -11.286 1.00 0.01 H new ATOM 0 HA GLU A 125 12.163 9.100 -8.841 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.793 11.776 -10.187 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.457 11.547 -9.076 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.211 10.613 -7.396 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.436 11.240 -8.481 1.00 0.01 H new ATOM 1957 N ILE A 126 10.048 9.549 -10.356 1.00 0.01 N ATOM 1958 CA ILE A 126 8.909 9.426 -11.321 1.00 0.01 C ATOM 1959 C ILE A 126 7.913 10.544 -10.995 1.00 0.01 C ATOM 1960 O ILE A 126 7.540 10.728 -9.853 1.00 0.01 O ATOM 1961 CB ILE A 126 8.236 8.049 -11.171 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.134 6.997 -11.838 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.854 8.063 -11.854 1.00 2.17 C ATOM 1964 CD1 ILE A 126 8.524 5.604 -11.681 1.00 1.70 C ATOM 0 H ILE A 126 9.771 9.654 -9.380 1.00 0.01 H new ATOM 0 HA ILE A 126 9.261 9.515 -12.349 1.00 0.01 H new ATOM 0 HB ILE A 126 8.100 7.813 -10.116 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.256 7.231 -12.896 1.00 1.49 H new ATOM 0 HG13 ILE A 126 10.127 7.019 -11.390 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.384 7.086 -11.744 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.226 8.822 -11.389 1.00 2.17 H new ATOM 0 HG23 ILE A 126 6.974 8.291 -12.913 1.00 2.17 H new ATOM 0 HD11 ILE A 126 9.171 4.868 -12.158 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.425 5.367 -10.622 1.00 1.70 H new ATOM 0 HD13 ILE A 126 7.541 5.582 -12.151 1.00 1.70 H new ATOM 1976 N HIS A 127 7.516 11.317 -11.980 1.00 0.01 N ATOM 1977 CA HIS A 127 6.581 12.462 -11.710 1.00 0.01 C ATOM 1978 C HIS A 127 5.172 12.183 -12.227 1.00 0.01 C ATOM 1979 O HIS A 127 4.231 12.864 -11.874 1.00 0.01 O ATOM 1980 CB HIS A 127 7.120 13.734 -12.364 1.00 0.02 C ATOM 1981 CG HIS A 127 8.405 14.133 -11.695 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.484 15.213 -10.830 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.673 13.608 -11.755 1.00 0.01 C ATOM 1984 CE1 HIS A 127 9.760 15.303 -10.408 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.526 14.348 -10.942 1.00 0.02 N ATOM 0 H HIS A 127 7.796 11.207 -12.955 1.00 0.01 H new ATOM 0 HA HIS A 127 6.522 12.591 -10.629 1.00 0.01 H new ATOM 0 HB2 HIS A 127 7.288 13.566 -13.428 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.388 14.538 -12.280 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.964 12.751 -12.344 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.120 16.055 -9.722 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.522 14.194 -10.787 1.00 0.02 H new ATOM 1993 N SER A 128 5.000 11.171 -13.031 1.00 0.01 N ATOM 1994 CA SER A 128 3.634 10.842 -13.523 1.00 0.01 C ATOM 1995 C SER A 128 3.626 9.404 -14.036 1.00 0.01 C ATOM 1996 O SER A 128 4.645 8.862 -14.422 1.00 0.01 O ATOM 1997 CB SER A 128 3.243 11.794 -14.657 1.00 0.01 C ATOM 1998 OG SER A 128 2.269 11.167 -15.481 1.00 0.01 O ATOM 0 H SER A 128 5.744 10.560 -13.368 1.00 0.01 H new ATOM 0 HA SER A 128 2.917 10.950 -12.709 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.846 12.723 -14.247 1.00 0.01 H new ATOM 0 HB3 SER A 128 4.121 12.056 -15.247 1.00 0.01 H new ATOM 0 HG SER A 128 1.416 11.119 -15.001 1.00 0.01 H new ATOM 2004 N CYS A 129 2.485 8.780 -14.038 1.00 0.01 N ATOM 2005 CA CYS A 129 2.392 7.378 -14.515 1.00 0.01 C ATOM 2006 C CYS A 129 0.917 7.045 -14.711 1.00 0.00 C ATOM 2007 O CYS A 129 0.077 7.508 -13.964 1.00 0.01 O ATOM 2008 CB CYS A 129 3.008 6.433 -13.476 1.00 0.69 C ATOM 2009 SG CYS A 129 2.522 4.728 -13.840 1.00 1.22 S ATOM 0 H CYS A 129 1.603 9.187 -13.726 1.00 0.01 H new ATOM 0 HA CYS A 129 2.934 7.259 -15.453 1.00 0.01 H new ATOM 0 HB2 CYS A 129 4.094 6.522 -13.488 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.676 6.710 -12.476 1.00 0.69 H new ATOM 0 HG CYS A 129 2.893 4.419 -15.047 1.00 1.22 H new ATOM 2015 N LYS A 130 0.585 6.256 -15.705 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.855 5.911 -15.938 1.00 0.01 C ATOM 2017 C LYS A 130 -1.030 4.398 -15.817 1.00 0.01 C ATOM 2018 O LYS A 130 -0.720 3.638 -16.711 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.263 6.374 -17.345 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.786 6.499 -17.430 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.182 6.990 -18.822 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.702 6.903 -18.976 1.00 0.33 C ATOM 2023 NZ LYS A 130 -5.132 5.482 -18.863 1.00 1.41 N ATOM 0 H LYS A 130 1.244 5.838 -16.362 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.484 6.408 -15.200 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.797 7.333 -17.571 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.905 5.663 -18.090 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.252 5.535 -17.227 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.147 7.194 -16.672 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.849 8.018 -18.966 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.692 6.386 -19.586 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -5.191 7.504 -18.209 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -5.004 7.310 -19.941 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -5.997 5.336 -19.421 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -4.379 4.862 -19.223 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -5.320 5.255 -17.866 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.539 3.977 -14.697 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.776 2.530 -14.431 1.00 0.01 C ATOM 2039 C VAL A 131 -3.280 2.277 -14.438 1.00 0.01 C ATOM 2040 O VAL A 131 -4.019 2.970 -13.769 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.201 2.157 -13.061 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.921 2.948 -11.963 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.392 0.656 -12.820 1.00 0.01 C ATOM 0 H VAL A 131 -1.809 4.593 -13.930 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.290 1.925 -15.197 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.138 2.398 -13.038 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.508 2.679 -10.991 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.782 4.016 -12.133 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -2.985 2.713 -11.983 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -0.983 0.389 -11.845 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.455 0.416 -12.846 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.874 0.094 -13.597 1.00 0.01 H new ATOM 2105 N TRP A 136 -1.985 -2.312 -7.671 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.509 -2.009 -7.770 1.00 0.01 C ATOM 2107 C TRP A 136 -0.040 -1.228 -6.536 1.00 0.01 C ATOM 2108 O TRP A 136 -0.718 -0.340 -6.048 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.237 -1.193 -9.044 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.160 -2.116 -10.224 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.190 -2.844 -10.712 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.991 -2.430 -11.061 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -0.745 -3.585 -11.790 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.591 -3.361 -12.047 1.00 0.01 C ATOM 2115 CE3 TRP A 136 2.328 -2.000 -11.060 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 1.486 -3.848 -13.000 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 3.231 -2.489 -12.017 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.810 -3.410 -12.984 1.00 0.01 C ATOM 0 HA TRP A 136 0.044 -2.947 -7.816 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.029 -0.459 -9.194 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.696 -0.639 -8.941 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.197 -2.846 -10.322 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.333 -4.220 -12.330 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.663 -1.289 -10.319 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 1.156 -4.558 -13.744 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 4.257 -2.153 -12.007 1.00 0.01 H new ATOM 0 HH2 TRP A 136 3.511 -3.781 -13.717 1.00 0.01 H new ATOM 2129 N ILE A 137 1.135 -1.554 -6.038 1.00 0.01 N ATOM 2130 CA ILE A 137 1.699 -0.844 -4.846 1.00 0.00 C ATOM 2131 C ILE A 137 3.044 -0.217 -5.231 1.00 0.01 C ATOM 2132 O ILE A 137 3.855 -0.820 -5.906 1.00 0.01 O ATOM 2133 CB ILE A 137 1.945 -1.841 -3.708 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.705 -2.709 -3.491 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.257 -1.076 -2.421 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.042 -3.831 -2.507 1.00 1.69 C ATOM 0 H ILE A 137 1.731 -2.291 -6.414 1.00 0.01 H new ATOM 0 HA ILE A 137 0.993 -0.080 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 137 2.787 -2.481 -3.972 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.114 -2.103 -3.104 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.370 -3.129 -4.439 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.432 -1.784 -1.611 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.147 -0.465 -2.568 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.414 -0.434 -2.166 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.161 -4.453 -2.349 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.849 -4.441 -2.913 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.357 -3.399 -1.557 1.00 1.69 H new ATOM 2148 N PHE A 138 3.287 0.987 -4.776 1.00 0.01 N ATOM 2149 CA PHE A 138 4.580 1.689 -5.064 1.00 0.01 C ATOM 2150 C PHE A 138 5.341 1.798 -3.733 1.00 0.01 C ATOM 2151 O PHE A 138 4.742 2.032 -2.708 1.00 0.00 O ATOM 2152 CB PHE A 138 4.273 3.100 -5.615 1.00 1.11 C ATOM 2153 CG PHE A 138 4.178 3.118 -7.136 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.819 1.974 -7.875 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.459 4.313 -7.810 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.748 2.038 -9.274 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.389 4.370 -9.207 1.00 2.01 C ATOM 2158 CZ PHE A 138 4.035 3.234 -9.939 1.00 2.49 C ATOM 0 H PHE A 138 2.633 1.524 -4.207 1.00 0.01 H new ATOM 0 HA PHE A 138 5.174 1.148 -5.800 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.335 3.458 -5.190 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.052 3.791 -5.293 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.599 1.048 -7.365 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.731 5.195 -7.249 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.471 1.161 -9.840 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.609 5.294 -9.720 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.983 3.280 -11.017 1.00 2.49 H new ATOM 2168 N TYR A 139 6.653 1.642 -3.739 1.00 0.01 N ATOM 2169 CA TYR A 139 7.446 1.751 -2.464 1.00 0.01 C ATOM 2170 C TYR A 139 8.518 2.829 -2.622 1.00 0.01 C ATOM 2171 O TYR A 139 9.062 3.033 -3.694 1.00 0.01 O ATOM 2172 CB TYR A 139 8.127 0.415 -2.151 1.00 0.01 C ATOM 2173 CG TYR A 139 7.091 -0.684 -2.088 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.510 -1.152 -3.267 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.723 -1.240 -0.857 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.557 -2.177 -3.224 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.769 -2.266 -0.811 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.187 -2.734 -1.995 1.00 0.02 C ATOM 2179 OH TYR A 139 4.247 -3.745 -1.950 1.00 0.00 O ATOM 0 H TYR A 139 7.206 1.444 -4.573 1.00 0.01 H new ATOM 0 HA TYR A 139 6.770 2.012 -1.650 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.868 0.186 -2.917 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.659 0.481 -1.202 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.796 -0.722 -4.216 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.173 -0.879 0.056 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.108 -2.537 -4.138 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.483 -2.695 0.138 1.00 0.02 H new ATOM 0 HH TYR A 139 4.106 -4.019 -1.020 1.00 0.00 H new ATOM 2189 N GLU A 140 8.788 3.555 -1.569 1.00 0.01 N ATOM 2190 CA GLU A 140 9.771 4.676 -1.644 1.00 0.02 C ATOM 2191 C GLU A 140 11.217 4.157 -1.687 1.00 0.01 C ATOM 2192 O GLU A 140 12.071 4.798 -2.265 1.00 0.01 O ATOM 2193 CB GLU A 140 9.573 5.544 -0.388 1.00 0.01 C ATOM 2194 CG GLU A 140 10.073 6.973 -0.648 1.00 0.02 C ATOM 2195 CD GLU A 140 11.582 6.956 -0.889 1.00 0.02 C ATOM 2196 OE1 GLU A 140 12.292 6.442 -0.041 1.00 0.01 O ATOM 2197 OE2 GLU A 140 12.002 7.454 -1.920 1.00 0.02 O ATOM 0 H GLU A 140 8.365 3.418 -0.651 1.00 0.01 H new ATOM 0 HA GLU A 140 9.604 5.248 -2.557 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.518 5.564 -0.113 1.00 0.01 H new ATOM 0 HB3 GLU A 140 10.113 5.109 0.453 1.00 0.01 H new ATOM 0 HG2 GLU A 140 9.562 7.395 -1.513 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.838 7.611 0.204 1.00 0.02 H new ATOM 2204 N LEU A 141 11.518 3.025 -1.087 1.00 0.01 N ATOM 2205 CA LEU A 141 12.931 2.511 -1.102 1.00 0.02 C ATOM 2206 C LEU A 141 12.974 1.188 -1.891 1.00 0.01 C ATOM 2207 O LEU A 141 11.973 0.499 -1.997 1.00 0.01 O ATOM 2208 CB LEU A 141 13.370 2.270 0.359 1.00 0.57 C ATOM 2209 CG LEU A 141 13.899 3.580 0.984 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.798 3.501 2.509 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.370 3.805 0.595 1.00 1.24 C ATOM 0 H LEU A 141 10.850 2.437 -0.589 1.00 0.01 H new ATOM 0 HA LEU A 141 13.601 3.229 -1.576 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.528 1.895 0.941 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.146 1.505 0.391 1.00 0.57 H new ATOM 0 HG LEU A 141 13.296 4.408 0.611 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.172 4.427 2.947 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.757 3.358 2.798 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.393 2.662 2.870 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.727 4.732 1.043 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.973 2.972 0.955 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.453 3.871 -0.490 1.00 1.24 H new ATOM 2223 N PRO A 142 14.120 0.825 -2.445 1.00 0.01 N ATOM 2224 CA PRO A 142 14.231 -0.435 -3.234 1.00 0.01 C ATOM 2225 C PRO A 142 13.822 -1.674 -2.431 1.00 0.01 C ATOM 2226 O PRO A 142 13.687 -1.649 -1.225 1.00 0.01 O ATOM 2227 CB PRO A 142 15.729 -0.476 -3.607 1.00 0.01 C ATOM 2228 CG PRO A 142 16.444 0.670 -2.870 1.00 0.02 C ATOM 2229 CD PRO A 142 15.374 1.632 -2.334 1.00 0.01 C ATOM 0 HA PRO A 142 13.564 -0.446 -4.096 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.163 -1.436 -3.328 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.855 -0.371 -4.685 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.048 0.278 -2.052 1.00 0.02 H new ATOM 0 HG3 PRO A 142 17.122 1.192 -3.545 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.575 1.928 -1.304 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.320 2.547 -2.924 1.00 0.01 H new ATOM 2237 N ASN A 143 13.650 -2.759 -3.135 1.00 0.01 N ATOM 2238 CA ASN A 143 13.275 -4.054 -2.502 1.00 0.01 C ATOM 2239 C ASN A 143 11.953 -3.940 -1.743 1.00 0.01 C ATOM 2240 O ASN A 143 11.714 -4.628 -0.770 1.00 0.01 O ATOM 2241 CB ASN A 143 14.376 -4.491 -1.533 1.00 0.23 C ATOM 2242 CG ASN A 143 14.058 -5.889 -1.002 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.025 -6.843 -1.755 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.818 -6.052 0.272 1.00 0.56 N ATOM 0 H ASN A 143 13.757 -2.802 -4.148 1.00 0.01 H new ATOM 0 HA ASN A 143 13.155 -4.794 -3.294 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.342 -4.493 -2.039 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.450 -3.784 -0.707 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.603 -6.980 0.636 1.00 0.56 H new ATOM 0 HD22 ASN A 143 13.846 -5.251 0.903 1.00 0.56 H new ATOM 2251 N TYR A 144 11.073 -3.100 -2.217 1.00 0.01 N ATOM 2252 CA TYR A 144 9.737 -2.952 -1.577 1.00 0.02 C ATOM 2253 C TYR A 144 9.871 -2.562 -0.100 1.00 0.01 C ATOM 2254 O TYR A 144 9.281 -3.179 0.765 1.00 0.01 O ATOM 2255 CB TYR A 144 8.977 -4.283 -1.708 1.00 0.01 C ATOM 2256 CG TYR A 144 9.392 -4.967 -2.996 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.234 -4.303 -4.220 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.947 -6.254 -2.967 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.626 -4.925 -5.413 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.341 -6.875 -4.160 1.00 0.01 C ATOM 2261 CZ TYR A 144 10.181 -6.210 -5.382 1.00 0.01 C ATOM 2262 OH TYR A 144 10.569 -6.824 -6.555 1.00 0.01 O ATOM 0 H TYR A 144 11.226 -2.504 -3.030 1.00 0.01 H new ATOM 0 HA TYR A 144 9.187 -2.156 -2.079 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.194 -4.925 -0.854 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.902 -4.104 -1.707 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.809 -3.310 -4.244 1.00 0.01 H new ATOM 0 HD2 TYR A 144 10.071 -6.767 -2.025 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.500 -4.413 -6.356 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.768 -7.867 -4.137 1.00 0.01 H new ATOM 0 HH TYR A 144 10.935 -7.711 -6.355 1.00 0.01 H new ATOM 2272 N ARG A 145 10.638 -1.536 0.188 1.00 0.02 N ATOM 2273 CA ARG A 145 10.813 -1.091 1.613 1.00 0.01 C ATOM 2274 C ARG A 145 10.460 0.394 1.743 1.00 0.01 C ATOM 2275 O ARG A 145 10.350 1.103 0.761 1.00 0.01 O ATOM 2276 CB ARG A 145 12.275 -1.284 2.031 1.00 0.01 C ATOM 2277 CG ARG A 145 12.663 -2.766 1.954 1.00 0.02 C ATOM 2278 CD ARG A 145 11.763 -3.608 2.873 1.00 0.01 C ATOM 2279 NE ARG A 145 11.385 -2.824 4.084 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.375 -3.208 4.819 1.00 0.01 C ATOM 2281 NH1 ARG A 145 9.696 -4.272 4.488 1.00 0.02 N ATOM 2282 NH2 ARG A 145 10.045 -2.528 5.882 1.00 0.01 N ATOM 0 H ARG A 145 11.151 -0.986 -0.501 1.00 0.02 H new ATOM 0 HA ARG A 145 10.157 -1.683 2.251 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.926 -0.697 1.383 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.421 -0.916 3.046 1.00 0.01 H new ATOM 0 HG2 ARG A 145 12.574 -3.118 0.926 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.706 -2.890 2.244 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.866 -3.914 2.335 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.284 -4.519 3.169 1.00 0.01 H new ATOM 0 HE ARG A 145 11.914 -1.990 4.338 1.00 0.01 H new ATOM 0 HH11 ARG A 145 9.954 -4.803 3.656 1.00 0.02 H new ATOM 0 HH12 ARG A 145 8.908 -4.573 5.061 1.00 0.02 H new ATOM 0 HH21 ARG A 145 10.575 -1.696 6.140 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.257 -2.828 6.455 1.00 0.01 H new ATOM 2296 N GLY A 146 10.269 0.869 2.949 1.00 0.01 N ATOM 2297 CA GLY A 146 9.918 2.304 3.155 1.00 0.02 C ATOM 2298 C GLY A 146 8.397 2.489 3.103 1.00 0.01 C ATOM 2299 O GLY A 146 7.637 1.545 3.183 1.00 0.02 O ATOM 0 H GLY A 146 10.342 0.318 3.804 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.301 2.645 4.117 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.393 2.916 2.388 1.00 0.02 H new ATOM 2303 N ARG A 147 7.955 3.709 2.973 1.00 0.01 N ATOM 2304 CA ARG A 147 6.489 3.978 2.916 1.00 0.01 C ATOM 2305 C ARG A 147 5.940 3.449 1.594 1.00 0.01 C ATOM 2306 O ARG A 147 6.590 3.497 0.568 1.00 0.01 O ATOM 2307 CB ARG A 147 6.253 5.487 3.003 1.00 0.01 C ATOM 2308 CG ARG A 147 4.766 5.790 2.781 1.00 0.01 C ATOM 2309 CD ARG A 147 4.448 7.203 3.272 1.00 0.01 C ATOM 2310 NE ARG A 147 4.382 7.208 4.761 1.00 0.02 N ATOM 2311 CZ ARG A 147 4.427 8.339 5.412 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.533 9.466 4.761 1.00 0.01 N ATOM 2313 NH2 ARG A 147 4.370 8.341 6.717 1.00 0.02 N ATOM 0 H ARG A 147 8.548 4.536 2.903 1.00 0.01 H new ATOM 0 HA ARG A 147 5.984 3.484 3.746 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.568 5.859 3.978 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.855 6.003 2.255 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.521 5.699 1.723 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.153 5.063 3.314 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.213 7.900 2.929 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.499 7.540 2.854 1.00 0.01 H new ATOM 0 HE ARG A 147 4.302 6.328 5.271 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.581 9.464 3.742 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.568 10.348 5.271 1.00 0.01 H new ATOM 0 HH21 ARG A 147 4.291 7.460 7.225 1.00 0.02 H new ATOM 0 HH22 ARG A 147 4.405 9.223 7.228 1.00 0.02 H new ATOM 2327 N GLN A 148 4.744 2.911 1.631 1.00 0.01 N ATOM 2328 CA GLN A 148 4.121 2.326 0.407 1.00 0.01 C ATOM 2329 C GLN A 148 2.923 3.177 -0.023 1.00 0.01 C ATOM 2330 O GLN A 148 2.229 3.751 0.793 1.00 0.01 O ATOM 2331 CB GLN A 148 3.639 0.910 0.761 1.00 0.00 C ATOM 2332 CG GLN A 148 4.631 0.254 1.724 1.00 0.02 C ATOM 2333 CD GLN A 148 4.263 -1.219 1.904 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.215 -1.654 1.470 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.087 -2.011 2.533 1.00 0.01 N ATOM 0 H GLN A 148 4.167 2.853 2.470 1.00 0.01 H new ATOM 0 HA GLN A 148 4.842 2.298 -0.410 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.650 0.955 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.545 0.310 -0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.645 0.342 1.335 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.613 0.765 2.686 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.967 -1.646 2.897 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.851 -2.995 2.660 1.00 0.01 H new ATOM 2344 N TYR A 149 2.674 3.245 -1.304 1.00 0.01 N ATOM 2345 CA TYR A 149 1.516 4.035 -1.828 1.00 0.01 C ATOM 2346 C TYR A 149 0.639 3.119 -2.680 1.00 0.01 C ATOM 2347 O TYR A 149 1.133 2.359 -3.489 1.00 0.01 O ATOM 2348 CB TYR A 149 2.033 5.197 -2.677 1.00 0.01 C ATOM 2349 CG TYR A 149 2.760 6.182 -1.790 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.051 6.907 -0.822 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.140 6.373 -1.933 1.00 0.01 C ATOM 2352 CE1 TYR A 149 2.722 7.819 0.001 1.00 0.01 C ATOM 2353 CE2 TYR A 149 4.810 7.285 -1.111 1.00 0.01 C ATOM 2354 CZ TYR A 149 4.102 8.008 -0.143 1.00 0.01 C ATOM 2355 OH TYR A 149 4.764 8.909 0.667 1.00 0.01 O ATOM 0 H TYR A 149 3.231 2.781 -2.021 1.00 0.01 H new ATOM 0 HA TYR A 149 0.932 4.434 -0.999 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.703 4.825 -3.452 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.203 5.690 -3.183 1.00 0.01 H new ATOM 0 HD1 TYR A 149 0.987 6.762 -0.711 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.687 5.816 -2.679 1.00 0.01 H new ATOM 0 HE1 TYR A 149 2.175 8.377 0.747 1.00 0.01 H new ATOM 0 HE2 TYR A 149 5.874 7.432 -1.223 1.00 0.01 H new ATOM 0 HH TYR A 149 5.717 8.917 0.437 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.654 3.152 -2.495 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.548 2.247 -3.284 1.00 0.01 C ATOM 2367 C LEU A 150 -2.137 3.005 -4.475 1.00 0.01 C ATOM 2368 O LEU A 150 -2.801 4.010 -4.320 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.676 1.773 -2.358 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.545 0.708 -3.065 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.908 -0.678 -2.918 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.945 0.679 -2.436 1.00 0.01 C ATOM 0 H LEU A 150 -1.131 3.764 -1.834 1.00 0.01 H new ATOM 0 HA LEU A 150 -0.985 1.394 -3.663 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.253 1.357 -1.443 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.295 2.621 -2.066 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.617 0.965 -4.122 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.530 -1.419 -3.420 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.915 -0.672 -3.368 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.825 -0.930 -1.861 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.554 -0.073 -2.938 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.863 0.433 -1.377 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.413 1.657 -2.546 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.917 2.514 -5.668 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.482 3.184 -6.875 1.00 0.01 C ATOM 2386 C LEU A 151 -3.846 2.564 -7.184 1.00 0.01 C ATOM 2387 O LEU A 151 -4.050 1.380 -7.003 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.542 2.980 -8.067 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.098 3.247 -7.636 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.818 3.189 -8.860 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -0.001 4.632 -6.986 1.00 0.01 C ATOM 0 H LEU A 151 -1.368 1.675 -5.857 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.591 4.253 -6.690 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.636 1.963 -8.447 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.819 3.651 -8.880 1.00 0.01 H new ATOM 0 HG LEU A 151 0.211 2.490 -6.915 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.847 3.379 -8.554 1.00 0.01 H new ATOM 0 HD12 LEU A 151 0.752 2.202 -9.317 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.509 3.945 -9.582 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.028 4.819 -6.680 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -0.311 5.393 -7.703 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.652 4.670 -6.112 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.784 3.357 -7.635 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.151 2.828 -7.949 1.00 0.01 C ATOM 2405 C ASP A 152 -6.357 2.797 -9.464 1.00 0.00 C ATOM 2406 O ASP A 152 -5.479 3.148 -10.227 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.200 3.744 -7.315 1.00 1.04 C ATOM 2408 CG ASP A 152 -6.833 4.004 -5.853 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.733 3.043 -5.108 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -6.656 5.159 -5.504 1.00 2.27 O ATOM 0 H ASP A 152 -4.663 4.356 -7.801 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.250 1.818 -7.551 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.253 4.686 -7.861 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.186 3.283 -7.377 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.513 2.377 -9.905 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.779 2.322 -11.370 1.00 0.01 C ATOM 2417 C LYS A 153 -8.023 3.737 -11.899 1.00 0.01 C ATOM 2418 O LYS A 153 -8.838 3.945 -12.775 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.019 1.468 -11.626 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.214 2.072 -10.886 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.371 1.066 -10.870 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.871 0.817 -12.299 1.00 1.09 C ATOM 2423 NZ LYS A 153 -10.989 -0.180 -12.968 1.00 1.84 N ATOM 0 H LYS A 153 -8.284 2.070 -9.313 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.920 1.886 -11.879 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.226 1.419 -12.695 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.846 0.446 -11.288 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.930 2.331 -9.866 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.528 2.995 -11.374 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.042 0.128 -10.423 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -12.185 1.445 -10.252 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.898 0.453 -12.278 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.875 1.750 -12.862 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -10.495 0.272 -13.763 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -10.291 -0.539 -12.286 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -11.565 -0.970 -13.322 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.321 4.712 -11.372 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.501 6.126 -11.833 1.00 0.01 C ATOM 2439 C LYS A 154 -6.238 6.583 -12.565 1.00 0.01 C ATOM 2440 O LYS A 154 -5.269 5.857 -12.662 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.730 7.029 -10.617 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.948 6.532 -9.832 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.246 7.500 -8.685 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.413 6.963 -7.851 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.871 8.016 -6.900 1.00 2.28 N ATOM 0 H LYS A 154 -6.625 4.588 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.358 6.186 -12.504 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.847 7.027 -9.978 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.888 8.058 -10.940 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.813 6.456 -10.491 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.758 5.533 -9.439 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.362 7.620 -8.058 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.492 8.485 -9.081 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.234 6.666 -8.504 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.103 6.073 -7.303 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.663 7.651 -6.334 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.087 8.279 -6.269 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.183 8.853 -7.433 1.00 2.28 H new ATOM 2459 N GLU A 155 -6.245 7.789 -13.080 1.00 0.01 N ATOM 2460 CA GLU A 155 -5.052 8.319 -13.813 1.00 0.01 C ATOM 2461 C GLU A 155 -4.346 9.352 -12.928 1.00 0.01 C ATOM 2462 O GLU A 155 -4.935 10.327 -12.509 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.519 8.975 -15.122 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.714 8.199 -15.688 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.373 6.710 -15.768 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.209 6.395 -15.938 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -7.285 5.910 -15.654 1.00 0.01 O ATOM 0 H GLU A 155 -7.033 8.434 -13.023 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.359 7.510 -14.046 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.799 10.013 -14.941 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.704 8.987 -15.846 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -7.589 8.348 -15.055 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.969 8.577 -16.678 1.00 0.01 H new ATOM 2474 N TYR A 156 -3.090 9.133 -12.627 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.344 10.088 -11.749 1.00 0.01 C ATOM 2476 C TYR A 156 -1.493 11.037 -12.597 1.00 0.01 C ATOM 2477 O TYR A 156 -0.562 10.624 -13.260 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.452 9.286 -10.799 1.00 0.01 C ATOM 2479 CG TYR A 156 -2.318 8.393 -9.941 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.769 7.165 -10.440 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.677 8.799 -8.652 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.579 6.344 -9.647 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.486 7.976 -7.857 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.937 6.750 -8.355 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.736 5.943 -7.572 1.00 0.01 O ATOM 0 H TYR A 156 -2.548 8.333 -12.952 1.00 0.00 H new ATOM 0 HA TYR A 156 -3.051 10.687 -11.175 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.741 8.686 -11.367 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.870 9.960 -10.171 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -2.492 6.852 -11.436 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.331 9.747 -8.269 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.928 5.397 -10.031 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.761 8.289 -6.860 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.887 6.374 -6.705 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.823 12.304 -12.609 1.00 0.01 N ATOM 2496 CA ARG A 157 -1.057 13.275 -13.450 1.00 0.01 C ATOM 2497 C ARG A 157 0.050 13.949 -12.636 1.00 0.00 C ATOM 2498 O ARG A 157 1.046 14.380 -13.189 1.00 0.01 O ATOM 2499 CB ARG A 157 -2.020 14.346 -13.975 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.864 13.768 -15.114 1.00 0.01 C ATOM 2501 CD ARG A 157 -4.072 14.672 -15.369 1.00 0.00 C ATOM 2502 NE ARG A 157 -5.056 14.513 -14.261 1.00 0.01 N ATOM 2503 CZ ARG A 157 -6.013 15.386 -14.110 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.105 16.396 -14.930 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.877 15.250 -13.140 1.00 0.01 N ATOM 0 H ARG A 157 -2.590 12.709 -12.072 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.598 12.735 -14.278 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.667 14.693 -13.170 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.459 15.211 -14.328 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.263 13.684 -16.019 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.197 12.762 -14.859 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.753 15.712 -15.439 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.536 14.416 -16.321 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.981 13.722 -13.621 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.430 16.502 -15.687 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.852 17.080 -14.814 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -6.804 14.460 -12.499 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -7.625 15.934 -13.023 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.092 14.041 -11.334 1.00 0.01 N ATOM 2520 CA LYS A 158 0.967 14.681 -10.488 1.00 0.01 C ATOM 2521 C LYS A 158 1.385 13.675 -9.403 1.00 0.01 C ATOM 2522 O LYS A 158 0.602 12.828 -9.025 1.00 0.01 O ATOM 2523 CB LYS A 158 0.374 15.937 -9.828 1.00 0.58 C ATOM 2524 CG LYS A 158 0.457 17.120 -10.797 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.300 18.314 -10.212 1.00 1.44 C ATOM 2526 CE LYS A 158 0.046 19.576 -11.003 1.00 2.13 C ATOM 2527 NZ LYS A 158 -0.454 19.443 -12.401 1.00 2.54 N ATOM 0 H LYS A 158 -0.902 13.698 -10.818 1.00 0.01 H new ATOM 0 HA LYS A 158 1.832 14.960 -11.090 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.664 15.756 -9.548 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.916 16.168 -8.911 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.499 17.387 -10.973 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.032 16.844 -11.762 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.374 18.131 -10.250 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.036 18.446 -9.163 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.401 20.449 -10.528 1.00 2.13 H new ATOM 0 HE3 LYS A 158 1.125 19.732 -11.005 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -0.371 20.358 -12.888 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 0.111 18.730 -12.905 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -1.451 19.147 -12.386 1.00 2.54 H new ATOM 2541 N PRO A 159 2.587 13.761 -8.878 1.00 0.01 N ATOM 2542 CA PRO A 159 3.011 12.815 -7.806 1.00 0.02 C ATOM 2543 C PRO A 159 2.114 12.963 -6.572 1.00 0.01 C ATOM 2544 O PRO A 159 1.745 11.989 -5.947 1.00 0.01 O ATOM 2545 CB PRO A 159 4.461 13.254 -7.530 1.00 0.41 C ATOM 2546 CG PRO A 159 4.687 14.608 -8.229 1.00 0.70 C ATOM 2547 CD PRO A 159 3.590 14.784 -9.288 1.00 0.28 C ATOM 0 HA PRO A 159 2.936 11.763 -8.081 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.635 13.345 -6.458 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.163 12.509 -7.905 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.651 15.422 -7.504 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.673 14.637 -8.693 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.172 15.791 -9.277 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.965 14.605 -10.296 1.00 0.28 H new ATOM 2555 N VAL A 160 1.765 14.161 -6.211 1.00 0.01 N ATOM 2556 CA VAL A 160 0.899 14.347 -5.018 1.00 0.02 C ATOM 2557 C VAL A 160 -0.443 13.654 -5.262 1.00 0.02 C ATOM 2558 O VAL A 160 -1.176 13.366 -4.337 1.00 0.02 O ATOM 2559 CB VAL A 160 0.677 15.843 -4.785 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.164 16.047 -3.523 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.031 16.536 -4.612 1.00 0.74 C ATOM 0 H VAL A 160 2.041 15.019 -6.689 1.00 0.01 H new ATOM 0 HA VAL A 160 1.376 13.913 -4.139 1.00 0.02 H new ATOM 0 HB VAL A 160 0.154 16.270 -5.641 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.321 17.113 -3.359 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.128 15.553 -3.644 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.357 15.621 -2.666 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.876 17.602 -4.446 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.552 16.108 -3.756 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.631 16.393 -5.511 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.782 13.391 -6.494 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.088 12.734 -6.765 1.00 0.01 C ATOM 2573 C ASP A 161 -2.122 11.305 -6.207 1.00 0.01 C ATOM 2574 O ASP A 161 -3.187 10.756 -6.008 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.339 12.680 -8.274 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.794 12.282 -8.536 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.670 13.052 -8.182 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -4.005 11.214 -9.089 1.00 0.00 O ATOM 0 H ASP A 161 -0.216 13.601 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.863 13.321 -6.273 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -2.130 13.651 -8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.665 11.961 -8.740 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.978 10.700 -5.923 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.993 9.306 -5.344 1.00 0.01 C ATOM 2585 C TRP A 162 -0.717 9.365 -3.836 1.00 0.01 C ATOM 2586 O TRP A 162 -0.492 8.358 -3.194 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.019 8.353 -6.065 1.00 0.01 C ATOM 2588 CG TRP A 162 1.396 8.832 -6.053 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.148 9.046 -4.951 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.260 9.099 -7.196 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.415 9.442 -5.347 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.531 9.493 -6.719 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.061 9.046 -8.587 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.572 9.819 -7.590 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.105 9.374 -9.468 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.358 9.760 -8.970 1.00 0.01 C ATOM 0 H TRP A 162 -0.052 11.104 -6.065 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.988 8.890 -5.503 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -0.067 7.371 -5.594 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.343 8.227 -7.098 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.816 8.928 -3.930 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.171 9.669 -4.701 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.099 8.751 -8.981 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.535 10.114 -7.201 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.942 9.329 -10.535 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.157 10.011 -9.652 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.806 10.537 -3.258 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.631 10.676 -1.777 1.00 0.01 C ATOM 2609 C GLY A 163 0.830 10.883 -1.343 1.00 0.01 C ATOM 2610 O GLY A 163 1.132 10.823 -0.168 1.00 0.01 O ATOM 0 H GLY A 163 -0.994 11.410 -3.751 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.227 11.519 -1.427 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.023 9.784 -1.289 1.00 0.01 H new ATOM 2614 N ALA A 164 1.744 11.114 -2.255 1.00 0.01 N ATOM 2615 CA ALA A 164 3.180 11.307 -1.844 1.00 0.02 C ATOM 2616 C ALA A 164 3.540 12.791 -1.828 1.00 0.01 C ATOM 2617 O ALA A 164 3.144 13.554 -2.684 1.00 0.02 O ATOM 2618 CB ALA A 164 4.099 10.633 -2.859 1.00 0.01 C ATOM 0 H ALA A 164 1.565 11.178 -3.257 1.00 0.01 H new ATOM 0 HA ALA A 164 3.304 10.876 -0.850 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.137 10.774 -2.559 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.875 9.567 -2.901 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.942 11.076 -3.843 1.00 0.01 H new ATOM 2624 N ALA A 165 4.311 13.193 -0.858 1.00 0.02 N ATOM 2625 CA ALA A 165 4.731 14.618 -0.768 1.00 0.01 C ATOM 2626 C ALA A 165 5.956 14.843 -1.660 1.00 0.02 C ATOM 2627 O ALA A 165 6.390 15.961 -1.851 1.00 0.01 O ATOM 2628 CB ALA A 165 5.092 14.961 0.678 1.00 0.59 C ATOM 0 H ALA A 165 4.671 12.591 -0.118 1.00 0.02 H new ATOM 0 HA ALA A 165 3.911 15.256 -1.098 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.399 16.005 0.739 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.224 14.800 1.318 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.911 14.322 1.010 1.00 0.59 H new ATOM 2634 N SER A 166 6.514 13.794 -2.218 1.00 0.01 N ATOM 2635 CA SER A 166 7.707 13.951 -3.113 1.00 0.01 C ATOM 2636 C SER A 166 7.604 12.947 -4.281 1.00 0.02 C ATOM 2637 O SER A 166 7.036 11.885 -4.118 1.00 0.01 O ATOM 2638 CB SER A 166 8.976 13.662 -2.312 1.00 0.72 C ATOM 2639 OG SER A 166 9.170 14.692 -1.352 1.00 0.87 O ATOM 0 H SER A 166 6.194 12.834 -2.092 1.00 0.01 H new ATOM 0 HA SER A 166 7.741 14.967 -3.505 1.00 0.01 H new ATOM 0 HB2 SER A 166 8.894 12.696 -1.814 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.836 13.604 -2.979 1.00 0.72 H new ATOM 0 HG SER A 166 9.982 14.509 -0.835 1.00 0.87 H new ATOM 2645 N PRO A 167 8.152 13.247 -5.448 1.00 0.02 N ATOM 2646 CA PRO A 167 8.088 12.284 -6.594 1.00 0.01 C ATOM 2647 C PRO A 167 9.066 11.112 -6.425 1.00 0.01 C ATOM 2648 O PRO A 167 9.414 10.444 -7.383 1.00 0.01 O ATOM 2649 CB PRO A 167 8.520 13.172 -7.771 1.00 0.38 C ATOM 2650 CG PRO A 167 9.310 14.353 -7.187 1.00 0.35 C ATOM 2651 CD PRO A 167 8.859 14.539 -5.728 1.00 0.22 C ATOM 0 HA PRO A 167 7.109 11.818 -6.705 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.135 12.608 -8.472 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.650 13.527 -8.324 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.381 14.158 -7.235 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.125 15.260 -7.763 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.704 14.694 -5.057 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.198 15.398 -5.612 1.00 0.22 H new ATOM 2659 N ALA A 168 9.548 10.878 -5.233 1.00 0.01 N ATOM 2660 CA ALA A 168 10.537 9.778 -5.050 1.00 0.01 C ATOM 2661 C ALA A 168 9.845 8.419 -4.926 1.00 0.01 C ATOM 2662 O ALA A 168 9.010 8.188 -4.076 1.00 0.02 O ATOM 2663 CB ALA A 168 11.351 10.037 -3.779 1.00 0.18 C ATOM 0 H ALA A 168 9.303 11.394 -4.388 1.00 0.01 H new ATOM 0 HA ALA A 168 11.186 9.757 -5.926 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.076 9.235 -3.641 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.876 10.988 -3.870 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.682 10.073 -2.919 1.00 0.18 H new ATOM 2669 N ILE A 169 10.233 7.526 -5.794 1.00 0.01 N ATOM 2670 CA ILE A 169 9.678 6.143 -5.810 1.00 0.01 C ATOM 2671 C ILE A 169 10.790 5.226 -6.313 1.00 0.01 C ATOM 2672 O ILE A 169 11.388 5.492 -7.336 1.00 0.01 O ATOM 2673 CB ILE A 169 8.474 6.074 -6.768 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.671 7.389 -6.691 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.573 4.890 -6.387 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.445 7.333 -7.621 1.00 3.99 C ATOM 0 H ILE A 169 10.933 7.704 -6.514 1.00 0.01 H new ATOM 0 HA ILE A 169 9.341 5.845 -4.817 1.00 0.01 H new ATOM 0 HB ILE A 169 8.834 5.934 -7.787 1.00 1.81 H new ATOM 0 HG12 ILE A 169 7.348 7.564 -5.665 1.00 2.75 H new ATOM 0 HG13 ILE A 169 8.309 8.227 -6.972 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.723 4.846 -7.068 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.142 3.963 -6.456 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.214 5.020 -5.366 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.893 8.270 -7.552 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.775 7.181 -8.649 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.799 6.508 -7.322 1.00 3.99 H new ATOM 2688 N GLN A 170 11.105 4.172 -5.594 1.00 0.01 N ATOM 2689 CA GLN A 170 12.218 3.265 -6.021 1.00 0.01 C ATOM 2690 C GLN A 170 11.724 1.867 -6.420 1.00 0.02 C ATOM 2691 O GLN A 170 12.453 1.141 -7.065 1.00 0.01 O ATOM 2692 CB GLN A 170 13.221 3.148 -4.875 1.00 2.62 C ATOM 2693 CG GLN A 170 13.805 4.532 -4.582 1.00 3.39 C ATOM 2694 CD GLN A 170 14.742 4.940 -5.722 1.00 4.36 C ATOM 2695 OE1 GLN A 170 15.914 4.617 -5.707 1.00 4.83 O ATOM 2696 NE2 GLN A 170 14.270 5.638 -6.717 1.00 5.17 N ATOM 0 H GLN A 170 10.638 3.902 -4.729 1.00 0.01 H new ATOM 0 HA GLN A 170 12.683 3.700 -6.905 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.732 2.749 -3.986 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.017 2.452 -5.140 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.003 5.262 -4.477 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.349 4.517 -3.637 1.00 3.39 H new ATOM 0 HE21 GLN A 170 13.287 5.909 -6.729 1.00 5.17 H new ATOM 0 HE22 GLN A 170 14.884 5.913 -7.483 1.00 5.17 H new ATOM 2705 N SER A 171 10.526 1.442 -6.085 1.00 0.01 N ATOM 2706 CA SER A 171 10.119 0.065 -6.520 1.00 0.01 C ATOM 2707 C SER A 171 8.591 -0.047 -6.559 1.00 0.01 C ATOM 2708 O SER A 171 7.882 0.704 -5.923 1.00 0.01 O ATOM 2709 CB SER A 171 10.679 -0.963 -5.539 1.00 0.01 C ATOM 2710 OG SER A 171 10.435 -2.273 -6.038 1.00 0.02 O ATOM 0 H SER A 171 9.835 1.967 -5.549 1.00 0.01 H new ATOM 0 HA SER A 171 10.514 -0.124 -7.518 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.749 -0.807 -5.403 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.212 -0.841 -4.561 1.00 0.01 H new ATOM 0 HG SER A 171 10.240 -2.877 -5.291 1.00 0.02 H new ATOM 2716 N PHE A 172 8.081 -1.009 -7.293 1.00 0.01 N ATOM 2717 CA PHE A 172 6.597 -1.195 -7.357 1.00 0.01 C ATOM 2718 C PHE A 172 6.266 -2.670 -7.616 1.00 0.01 C ATOM 2719 O PHE A 172 7.056 -3.406 -8.178 1.00 0.01 O ATOM 2720 CB PHE A 172 5.986 -0.309 -8.453 1.00 1.06 C ATOM 2721 CG PHE A 172 6.638 -0.561 -9.796 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.326 -1.714 -10.525 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.531 0.380 -10.328 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.909 -1.931 -11.779 1.00 1.16 C ATOM 2725 CE2 PHE A 172 8.111 0.164 -11.583 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.799 -0.991 -12.309 1.00 1.92 C ATOM 0 H PHE A 172 8.626 -1.670 -7.847 1.00 0.01 H new ATOM 0 HA PHE A 172 6.167 -0.898 -6.401 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.916 -0.503 -8.525 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.103 0.740 -8.182 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.634 -2.438 -10.120 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.771 1.272 -9.769 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.672 -2.824 -12.337 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.800 0.889 -11.991 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.245 -1.157 -13.278 1.00 1.92 H new ATOM 2736 N ARG A 173 5.112 -3.117 -7.178 1.00 0.01 N ATOM 2737 CA ARG A 173 4.737 -4.556 -7.367 1.00 0.01 C ATOM 2738 C ARG A 173 3.233 -4.689 -7.624 1.00 0.01 C ATOM 2739 O ARG A 173 2.429 -3.909 -7.154 1.00 0.01 O ATOM 2740 CB ARG A 173 5.056 -5.342 -6.087 1.00 0.01 C ATOM 2741 CG ARG A 173 6.566 -5.508 -5.910 1.00 0.01 C ATOM 2742 CD ARG A 173 6.829 -6.614 -4.879 1.00 0.01 C ATOM 2743 NE ARG A 173 5.766 -6.586 -3.836 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.601 -7.611 -3.043 1.00 0.01 C ATOM 2745 NH1 ARG A 173 6.374 -8.656 -3.159 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.667 -7.588 -2.131 1.00 0.01 N ATOM 0 H ARG A 173 4.414 -2.548 -6.698 1.00 0.01 H new ATOM 0 HA ARG A 173 5.299 -4.944 -8.217 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.640 -4.823 -5.224 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.581 -6.322 -6.129 1.00 0.01 H new ATOM 0 HG2 ARG A 173 7.031 -5.763 -6.862 1.00 0.01 H new ATOM 0 HG3 ARG A 173 7.012 -4.570 -5.578 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.845 -7.587 -5.370 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.807 -6.472 -4.420 1.00 0.01 H new ATOM 0 HE ARG A 173 5.167 -5.766 -3.741 1.00 0.01 H new ATOM 0 HH11 ARG A 173 7.107 -8.672 -3.869 1.00 0.01 H new ATOM 0 HH12 ARG A 173 6.246 -9.457 -2.540 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.066 -6.769 -2.037 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.539 -8.389 -1.512 1.00 0.01 H new ATOM 2760 N ARG A 174 2.853 -5.706 -8.352 1.00 0.01 N ATOM 2761 CA ARG A 174 1.410 -5.946 -8.631 1.00 0.01 C ATOM 2762 C ARG A 174 0.826 -6.803 -7.501 1.00 0.01 C ATOM 2763 O ARG A 174 1.474 -7.694 -6.986 1.00 0.01 O ATOM 2764 CB ARG A 174 1.256 -6.692 -9.959 1.00 0.01 C ATOM 2765 CG ARG A 174 2.045 -8.001 -9.910 1.00 0.01 C ATOM 2766 CD ARG A 174 2.011 -8.670 -11.285 1.00 0.01 C ATOM 2767 NE ARG A 174 0.598 -8.891 -11.697 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.317 -9.150 -12.944 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.272 -9.216 -13.830 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -0.921 -9.346 -13.304 1.00 0.01 N ATOM 0 H ARG A 174 3.489 -6.386 -8.768 1.00 0.01 H new ATOM 0 HA ARG A 174 0.885 -4.993 -8.692 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.203 -6.898 -10.151 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.614 -6.071 -10.780 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.076 -7.806 -9.614 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.619 -8.667 -9.159 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.521 -8.044 -12.018 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.544 -9.620 -11.252 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.150 -8.840 -11.005 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.241 -9.065 -13.548 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.050 -9.419 -14.805 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.668 -9.297 -12.611 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.143 -9.549 -14.279 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.398 -6.552 -7.124 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.030 -7.365 -6.037 1.00 0.01 C ATOM 2786 C ILE A 175 -1.838 -8.500 -6.666 1.00 0.00 C ATOM 2787 O ILE A 175 -2.653 -8.276 -7.540 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.961 -6.495 -5.184 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.281 -5.155 -4.886 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.269 -7.213 -3.869 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.196 -4.294 -4.006 1.00 3.04 C ATOM 0 H ILE A 175 -0.990 -5.821 -7.519 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.245 -7.770 -5.398 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.889 -6.318 -5.728 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.329 -5.324 -4.382 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.060 -4.633 -5.817 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.931 -6.594 -3.263 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.755 -8.166 -4.080 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.341 -7.392 -3.326 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.708 -3.342 -3.796 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.137 -4.113 -4.526 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.394 -4.814 -3.069 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.624 -9.718 -6.234 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.382 -10.873 -6.809 1.00 0.00 C ATOM 2805 C VAL A 176 -2.830 -11.800 -5.679 1.00 0.01 C ATOM 2806 O VAL A 176 -2.152 -11.957 -4.683 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.477 -11.659 -7.760 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -0.265 -12.192 -6.992 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.258 -12.833 -8.354 1.00 1.89 C ATOM 0 H VAL A 176 -0.954 -9.963 -5.505 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.250 -10.497 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.139 -11.003 -8.562 1.00 1.38 H new ATOM 0 HG11 VAL A 176 0.379 -12.752 -7.671 1.00 1.88 H new ATOM 0 HG12 VAL A 176 0.293 -11.357 -6.568 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.602 -12.847 -6.189 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -1.614 -13.393 -9.032 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.597 -13.488 -7.551 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.121 -12.456 -8.903 1.00 1.89 H new ATOM 2819 N GLU A 177 -3.971 -12.420 -5.830 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.482 -13.349 -4.776 1.00 0.01 C ATOM 2821 C GLU A 177 -5.211 -14.515 -5.447 1.00 0.01 C ATOM 2822 O GLU A 177 -4.931 -15.668 -5.184 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.454 -12.605 -3.852 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.674 -11.693 -2.900 1.00 3.19 C ATOM 2825 CD GLU A 177 -3.888 -12.541 -1.899 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -4.148 -13.731 -1.828 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -3.038 -11.986 -1.223 1.00 4.77 O ATOM 0 H GLU A 177 -4.577 -12.322 -6.645 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.645 -13.724 -4.187 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -6.153 -12.014 -4.445 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.046 -13.320 -3.281 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -3.993 -11.058 -3.466 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -5.360 -11.032 -2.371 1.00 3.19 H new