USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 996 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: B 108 TYR OH : rot -136:sc= 1.97 USER MOD Set 1.2: B 112 GLN : amide:sc= 0.814 K(o=2.8,f=0.89) USER MOD Set 2.1: A 88 SER OG : rot -78:sc= 2.14 USER MOD Set 2.2: B 88 SER OG : rot 123:sc= 1.5 USER MOD Set 3.1: A 123 LYS NZ :NH3+ -169:sc= 2.41 (180deg=0.546) USER MOD Set 3.2: B 82 SER OG : rot -119:sc= 2.08 USER MOD Set 4.1: A 122 LYS NZ :NH3+ 179:sc= 0.151! (180deg=0.137!) USER MOD Set 4.2: B 83 ASN : amide:sc= 0.95 K(o=1.1,f=-2.3) USER MOD Set 5.1: A 114 THR OG1 : rot 81:sc= 1.78 USER MOD Set 5.2: A 117 LYS NZ :NH3+ 175:sc= 2.27 (180deg=1.21) USER MOD Set 6.1: A 103 GLN :FLIP amide:sc= -0.307 F(o=-1.7!,f=-0.46) USER MOD Set 6.2: A 107 ASN : amide:sc= -0.157 K(o=-0.46,f=-1.1) USER MOD Set 7.1: A 96 ASN : amide:sc= 0.203 X(o=1.4,f=1.2) USER MOD Set 7.2: A 97 GLN : amide:sc= 1.19 K(o=1.4,f=-0.078) USER MOD Set 8.1: A 81 GLN : amide:sc= 0.345 K(o=2.5,f=1.5!) USER MOD Set 8.2: A 82 SER OG : rot 21:sc= 0.621 USER MOD Set 8.3: B 123 LYS NZ :NH3+ 174:sc= 0.797 (180deg=0.733) USER MOD Set 8.4: B 125 TYR OH : rot 39:sc= 0.705 USER MOD Single : A 69 SER OG : rot 76:sc= 0.0605 USER MOD Single : A 71 CYS SG : rot 169:sc= 0.358 USER MOD Single : A 79 TYR OH : rot 174:sc= -0.0436 USER MOD Single : A 83 ASN : amide:sc= 0.28 X(o=0.28,f=-0.091) USER MOD Single : A 100 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.065 USER MOD Single : A 108 TYR OH : rot 22:sc= 1.12 USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.984 USER MOD Single : A 112 GLN : amide:sc= 1.17 K(o=1.2,f=-0.27) USER MOD Single : A 115 TYR OH : rot 120:sc= 0.674 USER MOD Single : A 120 ASN : amide:sc= -0.526 K(o=-0.53,f=-2.1) USER MOD Single : A 121 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.5) USER MOD Single : A 125 TYR OH : rot 152:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0.378 USER MOD Single : B 71 CYS SG : rot 162:sc= 0.402 USER MOD Single : B 79 TYR OH : rot -11:sc= 0.938 USER MOD Single : B 81 GLN : amide:sc= 1.12 K(o=1.1,f=-0.042) USER MOD Single : B 96 ASN : amide:sc= 1.82 K(o=1.8,f=-0.18) USER MOD Single : B 97 GLN : amide:sc= 0.12 K(o=0.12,f=-0.96) USER MOD Single : B 100 GLN : amide:sc= 0.876 K(o=0.88,f=-0.64) USER MOD Single : B 101 SER OG : rot 45:sc= 1.82 USER MOD Single : B 103 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.31) USER MOD Single : B 107 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.3) USER MOD Single : B 111 THR OG1 : rot -76:sc= 1.04 USER MOD Single : B 114 THR OG1 : rot 82:sc= 0.731 USER MOD Single : B 115 TYR OH : rot -24:sc= 1.15 USER MOD Single : B 117 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.16) USER MOD Single : B 120 ASN : amide:sc= 0.553 K(o=0.55,f=-1.4) USER MOD Single : B 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 LYS NZ :NH3+ 167:sc= 2.31 (180deg=1.66) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.682 9.190 -6.352 1.00 0.00 N ATOM 115 CA LEU A 68 -8.572 8.465 -5.434 1.00 0.00 C ATOM 116 C LEU A 68 -10.033 8.557 -5.920 1.00 0.00 C ATOM 117 O LEU A 68 -10.781 9.461 -5.552 1.00 0.00 O ATOM 118 CB LEU A 68 -8.352 9.007 -4.005 1.00 0.00 C ATOM 119 CG LEU A 68 -7.540 8.050 -3.106 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.150 7.780 -3.694 1.00 0.00 C ATOM 121 CD2 LEU A 68 -7.372 8.701 -1.729 1.00 0.00 C ATOM 0 HA LEU A 68 -8.337 7.401 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.836 9.965 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.321 9.195 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.075 7.103 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.603 7.103 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.254 7.326 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.604 8.719 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.800 8.038 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.843 9.648 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.353 8.881 -1.289 1.00 0.00 H new ATOM 133 N SER A 69 -10.433 7.623 -6.781 1.00 0.00 N ATOM 134 CA SER A 69 -11.811 7.418 -7.230 1.00 0.00 C ATOM 135 C SER A 69 -12.588 6.507 -6.263 1.00 0.00 C ATOM 136 O SER A 69 -12.012 5.864 -5.391 1.00 0.00 O ATOM 137 CB SER A 69 -11.822 6.814 -8.644 1.00 0.00 C ATOM 138 OG SER A 69 -10.855 7.442 -9.468 1.00 0.00 O ATOM 0 H SER A 69 -9.781 6.961 -7.202 1.00 0.00 H new ATOM 0 HA SER A 69 -12.305 8.390 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.620 5.744 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.812 6.929 -9.085 1.00 0.00 H new ATOM 0 HG SER A 69 -9.962 7.116 -9.231 1.00 0.00 H new ATOM 144 N ALA A 70 -13.912 6.437 -6.439 1.00 0.00 N ATOM 145 CA ALA A 70 -14.837 5.701 -5.571 1.00 0.00 C ATOM 146 C ALA A 70 -14.310 4.350 -5.048 1.00 0.00 C ATOM 147 O ALA A 70 -14.295 4.120 -3.848 1.00 0.00 O ATOM 148 CB ALA A 70 -16.168 5.521 -6.308 1.00 0.00 C ATOM 0 H ALA A 70 -14.383 6.905 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.964 6.304 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.865 4.975 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.586 6.499 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.001 4.962 -7.229 1.00 0.00 H new ATOM 154 N CYS A 71 -13.886 3.455 -5.938 1.00 0.00 N ATOM 155 CA CYS A 71 -13.404 2.112 -5.606 1.00 0.00 C ATOM 156 C CYS A 71 -12.190 2.111 -4.659 1.00 0.00 C ATOM 157 O CYS A 71 -12.274 1.639 -3.532 1.00 0.00 O ATOM 158 CB CYS A 71 -13.042 1.419 -6.913 1.00 0.00 C ATOM 159 SG CYS A 71 -14.516 1.163 -7.924 1.00 0.00 S ATOM 0 H CYS A 71 -13.867 3.648 -6.939 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.197 1.588 -5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.318 2.021 -7.462 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.567 0.461 -6.704 1.00 0.00 H new ATOM 0 HG CYS A 71 -14.164 0.788 -9.118 1.00 0.00 H new ATOM 165 N GLU A 72 -11.035 2.614 -5.089 1.00 0.00 N ATOM 166 CA GLU A 72 -9.850 2.675 -4.235 1.00 0.00 C ATOM 167 C GLU A 72 -10.107 3.453 -2.935 1.00 0.00 C ATOM 168 O GLU A 72 -9.648 3.049 -1.871 1.00 0.00 O ATOM 169 CB GLU A 72 -8.636 3.175 -5.031 1.00 0.00 C ATOM 170 CG GLU A 72 -8.840 4.529 -5.737 1.00 0.00 C ATOM 171 CD GLU A 72 -9.472 4.464 -7.114 1.00 0.00 C ATOM 172 OE1 GLU A 72 -10.103 3.456 -7.489 1.00 0.00 O ATOM 173 OE2 GLU A 72 -9.299 5.439 -7.862 1.00 0.00 O ATOM 0 H GLU A 72 -10.894 2.987 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.610 1.664 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.785 3.258 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.376 2.426 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.462 5.159 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.872 5.022 -5.825 1.00 0.00 H new ATOM 180 N VAL A 73 -10.908 4.519 -2.991 1.00 0.00 N ATOM 181 CA VAL A 73 -11.376 5.218 -1.795 1.00 0.00 C ATOM 182 C VAL A 73 -12.214 4.294 -0.890 1.00 0.00 C ATOM 183 O VAL A 73 -12.027 4.261 0.320 1.00 0.00 O ATOM 184 CB VAL A 73 -12.123 6.494 -2.213 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.713 7.225 -1.010 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.149 7.475 -2.867 1.00 0.00 C ATOM 0 H VAL A 73 -11.249 4.920 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.520 5.516 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.915 6.182 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.233 8.121 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.416 6.570 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.912 7.506 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.684 8.378 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.363 7.734 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.705 7.013 -3.749 1.00 0.00 H new ATOM 196 N ALA A 74 -13.105 3.497 -1.481 1.00 0.00 N ATOM 197 CA ALA A 74 -13.925 2.516 -0.774 1.00 0.00 C ATOM 198 C ALA A 74 -13.049 1.480 -0.057 1.00 0.00 C ATOM 199 O ALA A 74 -13.255 1.147 1.105 1.00 0.00 O ATOM 200 CB ALA A 74 -14.898 1.850 -1.763 1.00 0.00 C ATOM 0 H ALA A 74 -13.279 3.517 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.507 3.025 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.509 1.118 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.542 2.609 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.332 1.350 -2.549 1.00 0.00 H new ATOM 206 N VAL A 75 -12.023 0.972 -0.735 1.00 0.00 N ATOM 207 CA VAL A 75 -11.101 0.030 -0.105 1.00 0.00 C ATOM 208 C VAL A 75 -10.220 0.731 0.960 1.00 0.00 C ATOM 209 O VAL A 75 -9.944 0.160 2.016 1.00 0.00 O ATOM 210 CB VAL A 75 -10.355 -0.786 -1.177 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.598 -1.935 -0.507 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.361 -1.426 -2.141 1.00 0.00 C ATOM 0 H VAL A 75 -11.810 1.193 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.653 -0.713 0.471 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.677 -0.116 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.070 -2.513 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.880 -1.531 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.304 -2.581 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.826 -2.001 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.027 -2.087 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.946 -0.645 -2.627 1.00 0.00 H new ATOM 222 N LEU A 76 -9.828 1.990 0.735 1.00 0.00 N ATOM 223 CA LEU A 76 -9.214 2.857 1.753 1.00 0.00 C ATOM 224 C LEU A 76 -10.070 3.038 3.018 1.00 0.00 C ATOM 225 O LEU A 76 -9.550 3.047 4.132 1.00 0.00 O ATOM 226 CB LEU A 76 -8.750 4.178 1.137 1.00 0.00 C ATOM 227 CG LEU A 76 -7.381 4.013 0.456 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.187 5.109 -0.588 1.00 0.00 C ATOM 229 CD2 LEU A 76 -6.229 4.117 1.469 1.00 0.00 C ATOM 0 H LEU A 76 -9.929 2.444 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.326 2.338 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.484 4.522 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.686 4.943 1.911 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.366 3.026 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.216 4.987 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.974 5.039 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.233 6.085 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.277 3.996 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.257 5.093 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.335 3.336 2.222 1.00 0.00 H new ATOM 241 N ASP A 77 -11.389 3.099 2.865 1.00 0.00 N ATOM 242 CA ASP A 77 -12.299 3.111 4.002 1.00 0.00 C ATOM 243 C ASP A 77 -12.179 1.784 4.774 1.00 0.00 C ATOM 244 O ASP A 77 -11.889 1.786 5.970 1.00 0.00 O ATOM 245 CB ASP A 77 -13.713 3.448 3.506 1.00 0.00 C ATOM 246 CG ASP A 77 -14.782 2.942 4.452 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.007 3.605 5.486 1.00 0.00 O ATOM 248 OD2 ASP A 77 -15.332 1.862 4.157 1.00 0.00 O ATOM 0 H ASP A 77 -11.853 3.141 1.957 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.039 3.888 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.810 4.528 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.865 3.010 2.520 1.00 0.00 H new ATOM 253 N LEU A 78 -12.264 0.634 4.097 1.00 0.00 N ATOM 254 CA LEU A 78 -12.045 -0.645 4.758 1.00 0.00 C ATOM 255 C LEU A 78 -10.701 -0.681 5.497 1.00 0.00 C ATOM 256 O LEU A 78 -10.637 -1.181 6.623 1.00 0.00 O ATOM 257 CB LEU A 78 -12.125 -1.814 3.773 1.00 0.00 C ATOM 258 CG LEU A 78 -13.366 -1.852 2.878 1.00 0.00 C ATOM 259 CD1 LEU A 78 -13.376 -3.161 2.085 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.684 -1.711 3.647 1.00 0.00 C ATOM 0 H LEU A 78 -12.481 0.568 3.102 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.845 -0.753 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.242 -1.787 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.081 -2.744 4.339 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.301 -0.990 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.258 -3.193 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.479 -3.220 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.398 -4.004 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.519 -1.747 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.776 -2.527 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.696 -0.759 4.177 1.00 0.00 H new ATOM 272 N TYR A 79 -9.628 -0.175 4.875 1.00 0.00 N ATOM 273 CA TYR A 79 -8.309 -0.059 5.490 1.00 0.00 C ATOM 274 C TYR A 79 -8.354 0.714 6.813 1.00 0.00 C ATOM 275 O TYR A 79 -8.037 0.136 7.858 1.00 0.00 O ATOM 276 CB TYR A 79 -7.292 0.531 4.496 1.00 0.00 C ATOM 277 CG TYR A 79 -6.849 -0.378 3.365 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.415 -1.690 3.621 1.00 0.00 C ATOM 279 CD2 TYR A 79 -6.799 0.099 2.047 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.263 -2.594 2.554 1.00 0.00 C ATOM 281 CE2 TYR A 79 -6.716 -0.807 0.986 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.557 -2.168 1.252 1.00 0.00 C ATOM 283 OH TYR A 79 -6.499 -3.050 0.219 1.00 0.00 O ATOM 0 H TYR A 79 -9.658 0.169 3.915 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.970 -1.064 5.743 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.723 1.433 4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.407 0.838 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.199 -2.003 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.825 1.161 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.924 -3.603 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.775 -0.456 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.819 -2.616 -0.600 1.00 0.00 H new ATOM 293 N GLU A 80 -8.773 1.978 6.809 1.00 0.00 N ATOM 294 CA GLU A 80 -8.690 2.825 7.996 1.00 0.00 C ATOM 295 C GLU A 80 -9.772 2.489 9.040 1.00 0.00 C ATOM 296 O GLU A 80 -9.483 2.442 10.238 1.00 0.00 O ATOM 297 CB GLU A 80 -8.640 4.299 7.571 1.00 0.00 C ATOM 298 CG GLU A 80 -7.359 4.634 6.761 1.00 0.00 C ATOM 299 CD GLU A 80 -6.044 4.689 7.547 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.041 4.284 8.732 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.042 5.143 6.944 1.00 0.00 O ATOM 0 H GLU A 80 -9.175 2.439 5.993 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.759 2.617 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.519 4.532 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.683 4.932 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.252 3.892 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.506 5.599 6.275 1.00 0.00 H new ATOM 308 N GLN A 81 -10.976 2.079 8.617 1.00 0.00 N ATOM 309 CA GLN A 81 -11.929 1.388 9.501 1.00 0.00 C ATOM 310 C GLN A 81 -11.256 0.207 10.220 1.00 0.00 C ATOM 311 O GLN A 81 -11.381 0.015 11.429 1.00 0.00 O ATOM 312 CB GLN A 81 -13.092 0.779 8.710 1.00 0.00 C ATOM 313 CG GLN A 81 -14.163 1.717 8.145 1.00 0.00 C ATOM 314 CD GLN A 81 -15.239 0.899 7.434 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.237 -0.332 7.469 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.188 1.553 6.809 1.00 0.00 N ATOM 0 H GLN A 81 -11.315 2.214 7.665 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.282 2.142 10.204 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.668 0.219 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.591 0.058 9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.609 2.302 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.711 2.424 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.176 2.573 6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.938 1.042 6.343 1.00 0.00 H new ATOM 325 N SER A 82 -10.547 -0.626 9.454 1.00 0.00 N ATOM 326 CA SER A 82 -9.766 -1.725 10.003 1.00 0.00 C ATOM 327 C SER A 82 -8.506 -1.279 10.762 1.00 0.00 C ATOM 328 O SER A 82 -7.885 -2.116 11.419 1.00 0.00 O ATOM 329 CB SER A 82 -9.421 -2.720 8.897 1.00 0.00 C ATOM 330 OG SER A 82 -10.585 -3.461 8.561 1.00 0.00 O ATOM 0 H SER A 82 -10.502 -0.553 8.438 1.00 0.00 H new ATOM 0 HA SER A 82 -10.393 -2.210 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.045 -2.193 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.630 -3.392 9.229 1.00 0.00 H new ATOM 0 HG SER A 82 -11.381 -2.965 8.844 1.00 0.00 H new ATOM 336 N ASN A 83 -8.131 -0.005 10.649 1.00 0.00 N ATOM 337 CA ASN A 83 -6.978 0.656 11.253 1.00 0.00 C ATOM 338 C ASN A 83 -5.656 0.178 10.633 1.00 0.00 C ATOM 339 O ASN A 83 -4.701 -0.112 11.353 1.00 0.00 O ATOM 340 CB ASN A 83 -7.005 0.526 12.787 1.00 0.00 C ATOM 341 CG ASN A 83 -8.394 0.645 13.406 1.00 0.00 C ATOM 342 OD1 ASN A 83 -8.729 -0.114 14.305 1.00 0.00 O ATOM 343 ND2 ASN A 83 -9.233 1.553 12.940 1.00 0.00 N ATOM 0 H ASN A 83 -8.675 0.646 10.083 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.045 1.721 11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.578 -0.438 13.065 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.363 1.295 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.173 1.627 13.330 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.941 2.180 12.190 1.00 0.00 H new ATOM 350 N ILE A 84 -5.623 0.033 9.309 1.00 0.00 N ATOM 351 CA ILE A 84 -4.454 -0.290 8.484 1.00 0.00 C ATOM 352 C ILE A 84 -4.116 0.945 7.647 1.00 0.00 C ATOM 353 O ILE A 84 -4.810 1.205 6.671 1.00 0.00 O ATOM 354 CB ILE A 84 -4.776 -1.471 7.526 1.00 0.00 C ATOM 355 CG1 ILE A 84 -4.797 -2.845 8.207 1.00 0.00 C ATOM 356 CG2 ILE A 84 -3.778 -1.607 6.358 1.00 0.00 C ATOM 357 CD1 ILE A 84 -5.858 -2.956 9.291 1.00 0.00 C ATOM 0 H ILE A 84 -6.466 0.145 8.745 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.619 -0.575 9.124 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.771 -1.206 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.972 -3.614 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.818 -3.043 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.065 -2.451 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.787 -0.694 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.776 -1.772 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.822 -3.951 9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.671 -2.208 10.062 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.843 -2.788 8.855 1.00 0.00 H new ATOM 369 N ARG A 85 -3.021 1.645 7.922 1.00 0.00 N ATOM 370 CA ARG A 85 -2.514 2.558 6.904 1.00 0.00 C ATOM 371 C ARG A 85 -1.993 1.801 5.671 1.00 0.00 C ATOM 372 O ARG A 85 -1.545 0.654 5.751 1.00 0.00 O ATOM 373 CB ARG A 85 -1.409 3.434 7.487 1.00 0.00 C ATOM 374 CG ARG A 85 -1.969 4.478 8.458 1.00 0.00 C ATOM 375 CD ARG A 85 -1.699 5.883 7.912 1.00 0.00 C ATOM 376 NE ARG A 85 -0.246 6.165 7.870 1.00 0.00 N ATOM 377 CZ ARG A 85 0.491 6.581 6.837 1.00 0.00 C ATOM 378 NH1 ARG A 85 0.061 6.560 5.590 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.708 7.039 7.040 1.00 0.00 N ATOM 0 H ARG A 85 -2.491 1.605 8.792 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.343 3.188 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.683 2.808 8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.878 3.936 6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.040 4.328 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.507 4.363 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.120 5.975 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.199 6.623 8.538 1.00 0.00 H new ATOM 0 HE ARG A 85 0.258 6.023 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.875 6.214 5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.665 6.890 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.088 7.076 7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.271 7.357 6.251 1.00 0.00 H new ATOM 393 N ILE A 86 -1.993 2.478 4.526 1.00 0.00 N ATOM 394 CA ILE A 86 -1.313 2.069 3.297 1.00 0.00 C ATOM 395 C ILE A 86 -0.126 3.027 3.045 1.00 0.00 C ATOM 396 O ILE A 86 -0.307 4.239 3.167 1.00 0.00 O ATOM 397 CB ILE A 86 -2.336 2.087 2.144 1.00 0.00 C ATOM 398 CG1 ILE A 86 -3.483 1.075 2.335 1.00 0.00 C ATOM 399 CG2 ILE A 86 -1.658 1.808 0.805 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.068 -0.395 2.165 1.00 0.00 C ATOM 0 H ILE A 86 -2.487 3.364 4.423 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.913 1.058 3.376 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.764 3.089 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.906 1.208 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.274 1.302 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.403 1.827 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.903 2.571 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.183 0.827 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.935 -1.038 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.674 -0.548 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.300 -0.643 2.898 1.00 0.00 H new ATOM 412 N PRO A 87 1.092 2.530 2.748 1.00 0.00 N ATOM 413 CA PRO A 87 2.190 3.365 2.268 1.00 0.00 C ATOM 414 C PRO A 87 1.814 4.119 0.984 1.00 0.00 C ATOM 415 O PRO A 87 1.296 3.509 0.049 1.00 0.00 O ATOM 416 CB PRO A 87 3.356 2.406 1.998 1.00 0.00 C ATOM 417 CG PRO A 87 3.060 1.209 2.901 1.00 0.00 C ATOM 418 CD PRO A 87 1.532 1.149 2.871 1.00 0.00 C ATOM 0 HA PRO A 87 2.445 4.126 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.399 2.114 0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.315 2.863 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.511 0.292 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.442 1.357 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.179 0.548 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.139 0.691 3.779 1.00 0.00 H new ATOM 426 N SER A 88 2.097 5.420 0.919 1.00 0.00 N ATOM 427 CA SER A 88 1.827 6.266 -0.245 1.00 0.00 C ATOM 428 C SER A 88 2.297 5.646 -1.572 1.00 0.00 C ATOM 429 O SER A 88 1.545 5.657 -2.539 1.00 0.00 O ATOM 430 CB SER A 88 2.405 7.670 -0.022 1.00 0.00 C ATOM 431 OG SER A 88 3.727 7.614 0.488 1.00 0.00 O ATOM 0 H SER A 88 2.530 5.927 1.691 1.00 0.00 H new ATOM 0 HA SER A 88 0.744 6.348 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.400 8.220 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.769 8.220 0.672 1.00 0.00 H new ATOM 0 HG SER A 88 3.699 7.415 1.447 1.00 0.00 H new ATOM 437 N ASP A 89 3.497 5.063 -1.616 1.00 0.00 N ATOM 438 CA ASP A 89 4.005 4.291 -2.751 1.00 0.00 C ATOM 439 C ASP A 89 2.949 3.382 -3.420 1.00 0.00 C ATOM 440 O ASP A 89 2.595 3.574 -4.584 1.00 0.00 O ATOM 441 CB ASP A 89 5.218 3.510 -2.222 1.00 0.00 C ATOM 442 CG ASP A 89 5.689 2.429 -3.165 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.214 1.288 -3.013 1.00 0.00 O ATOM 444 OD2 ASP A 89 6.635 2.697 -3.933 1.00 0.00 O ATOM 0 H ASP A 89 4.159 5.117 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 89 4.289 4.962 -3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.037 4.205 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.962 3.060 -1.263 1.00 0.00 H new ATOM 449 N ILE A 90 2.390 2.408 -2.697 1.00 0.00 N ATOM 450 CA ILE A 90 1.387 1.540 -3.313 1.00 0.00 C ATOM 451 C ILE A 90 0.088 2.266 -3.664 1.00 0.00 C ATOM 452 O ILE A 90 -0.560 1.885 -4.631 1.00 0.00 O ATOM 453 CB ILE A 90 1.166 0.209 -2.571 1.00 0.00 C ATOM 454 CG1 ILE A 90 1.062 0.323 -1.046 1.00 0.00 C ATOM 455 CG2 ILE A 90 2.300 -0.726 -2.989 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.457 -0.960 -0.450 1.00 0.00 C ATOM 0 H ILE A 90 2.605 2.206 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 90 1.823 1.251 -4.269 1.00 0.00 H new ATOM 0 HB ILE A 90 0.189 -0.181 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.050 0.498 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.444 1.181 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.184 -1.686 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.269 -0.876 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.257 -0.284 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.391 -0.862 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.540 -1.118 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.091 -1.811 -0.699 1.00 0.00 H new ATOM 468 N ILE A 91 -0.297 3.330 -2.950 1.00 0.00 N ATOM 469 CA ILE A 91 -1.394 4.177 -3.434 1.00 0.00 C ATOM 470 C ILE A 91 -1.049 4.743 -4.822 1.00 0.00 C ATOM 471 O ILE A 91 -1.861 4.662 -5.743 1.00 0.00 O ATOM 472 CB ILE A 91 -1.730 5.308 -2.438 1.00 0.00 C ATOM 473 CG1 ILE A 91 -1.951 4.755 -1.023 1.00 0.00 C ATOM 474 CG2 ILE A 91 -2.968 6.080 -2.915 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.402 5.800 0.002 1.00 0.00 C ATOM 0 H ILE A 91 0.118 3.619 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.287 3.557 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.881 5.991 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.698 3.963 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.024 4.299 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.196 6.875 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.771 6.514 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.817 5.400 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.534 5.323 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.647 6.582 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.347 6.240 -0.318 1.00 0.00 H new ATOM 487 N GLU A 92 0.163 5.285 -4.974 1.00 0.00 N ATOM 488 CA GLU A 92 0.634 5.849 -6.231 1.00 0.00 C ATOM 489 C GLU A 92 0.602 4.801 -7.357 1.00 0.00 C ATOM 490 O GLU A 92 -0.119 4.989 -8.332 1.00 0.00 O ATOM 491 CB GLU A 92 2.018 6.488 -6.017 1.00 0.00 C ATOM 492 CG GLU A 92 2.510 7.280 -7.246 1.00 0.00 C ATOM 493 CD GLU A 92 1.578 8.382 -7.745 1.00 0.00 C ATOM 494 OE1 GLU A 92 0.936 9.033 -6.894 1.00 0.00 O ATOM 495 OE2 GLU A 92 1.543 8.592 -8.976 1.00 0.00 O ATOM 0 H GLU A 92 0.846 5.342 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.039 6.641 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.976 7.154 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.741 5.707 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.474 7.728 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.681 6.578 -8.062 1.00 0.00 H new ATOM 502 N ASP A 93 1.295 3.661 -7.206 1.00 0.00 N ATOM 503 CA ASP A 93 1.303 2.576 -8.190 1.00 0.00 C ATOM 504 C ASP A 93 -0.131 2.159 -8.552 1.00 0.00 C ATOM 505 O ASP A 93 -0.518 2.165 -9.720 1.00 0.00 O ATOM 506 CB ASP A 93 2.117 1.393 -7.636 1.00 0.00 C ATOM 507 CG ASP A 93 2.016 0.162 -8.522 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.891 0.328 -9.753 1.00 0.00 O ATOM 509 OD2 ASP A 93 2.001 -0.959 -7.969 1.00 0.00 O ATOM 0 H ASP A 93 1.871 3.468 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 93 1.776 2.921 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.163 1.686 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.763 1.148 -6.635 1.00 0.00 H new ATOM 514 N LEU A 94 -0.931 1.848 -7.530 1.00 0.00 N ATOM 515 CA LEU A 94 -2.327 1.429 -7.678 1.00 0.00 C ATOM 516 C LEU A 94 -3.120 2.412 -8.557 1.00 0.00 C ATOM 517 O LEU A 94 -3.635 2.049 -9.619 1.00 0.00 O ATOM 518 CB LEU A 94 -2.946 1.272 -6.278 1.00 0.00 C ATOM 519 CG LEU A 94 -4.319 0.595 -6.188 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.408 1.267 -7.003 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.267 -0.877 -6.580 1.00 0.00 C ATOM 0 H LEU A 94 -0.622 1.881 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.368 0.468 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.249 0.704 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.029 2.263 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.580 0.695 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.344 0.721 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.538 2.293 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.125 1.270 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.264 -1.310 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.914 -0.968 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.586 -1.407 -5.914 1.00 0.00 H new ATOM 533 N VAL A 95 -3.205 3.674 -8.129 1.00 0.00 N ATOM 534 CA VAL A 95 -3.817 4.745 -8.913 1.00 0.00 C ATOM 535 C VAL A 95 -3.212 4.825 -10.326 1.00 0.00 C ATOM 536 O VAL A 95 -3.936 5.016 -11.302 1.00 0.00 O ATOM 537 CB VAL A 95 -3.692 6.076 -8.149 1.00 0.00 C ATOM 538 CG1 VAL A 95 -4.138 7.246 -9.022 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.588 6.081 -6.904 1.00 0.00 C ATOM 0 H VAL A 95 -2.849 3.981 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.876 4.527 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.644 6.180 -7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.041 8.176 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.513 7.293 -9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.179 7.106 -9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.481 7.032 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.627 5.946 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.293 5.268 -6.240 1.00 0.00 H new ATOM 549 N ASN A 96 -1.899 4.645 -10.448 1.00 0.00 N ATOM 550 CA ASN A 96 -1.182 4.664 -11.717 1.00 0.00 C ATOM 551 C ASN A 96 -1.576 3.534 -12.689 1.00 0.00 C ATOM 552 O ASN A 96 -1.744 3.797 -13.880 1.00 0.00 O ATOM 553 CB ASN A 96 0.333 4.812 -11.467 1.00 0.00 C ATOM 554 CG ASN A 96 1.207 4.007 -12.407 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.673 4.510 -13.431 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.435 2.755 -12.056 1.00 0.00 N ATOM 0 H ASN A 96 -1.291 4.478 -9.646 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.502 5.550 -12.265 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.601 5.865 -11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.550 4.511 -10.442 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.019 2.159 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.027 2.383 -11.198 1.00 0.00 H new ATOM 563 N GLN A 97 -1.761 2.302 -12.216 1.00 0.00 N ATOM 564 CA GLN A 97 -2.394 1.258 -13.021 1.00 0.00 C ATOM 565 C GLN A 97 -3.845 1.642 -13.357 1.00 0.00 C ATOM 566 O GLN A 97 -4.330 1.416 -14.464 1.00 0.00 O ATOM 567 CB GLN A 97 -2.359 -0.094 -12.295 1.00 0.00 C ATOM 568 CG GLN A 97 -0.979 -0.535 -11.786 1.00 0.00 C ATOM 569 CD GLN A 97 0.144 -0.524 -12.816 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.067 -0.722 -14.006 1.00 0.00 O ATOM 571 NE2 GLN A 97 1.375 -0.321 -12.382 1.00 0.00 N ATOM 0 H GLN A 97 -1.482 2.003 -11.282 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.831 1.163 -13.950 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.042 -0.049 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.739 -0.860 -12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.694 0.115 -10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.067 -1.544 -11.383 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.545 -0.157 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.155 -0.329 -13.039 1.00 0.00 H new ATOM 580 N ARG A 98 -4.535 2.240 -12.383 1.00 0.00 N ATOM 581 CA ARG A 98 -5.872 2.808 -12.530 1.00 0.00 C ATOM 582 C ARG A 98 -6.917 1.722 -12.833 1.00 0.00 C ATOM 583 O ARG A 98 -7.715 1.826 -13.765 1.00 0.00 O ATOM 584 CB ARG A 98 -5.849 3.965 -13.549 1.00 0.00 C ATOM 585 CG ARG A 98 -6.718 5.168 -13.139 1.00 0.00 C ATOM 586 CD ARG A 98 -8.234 4.928 -13.232 1.00 0.00 C ATOM 587 NE ARG A 98 -8.738 3.998 -12.199 1.00 0.00 N ATOM 588 CZ ARG A 98 -8.864 4.236 -10.892 1.00 0.00 C ATOM 589 NH1 ARG A 98 -8.496 5.387 -10.370 1.00 0.00 N ATOM 590 NH2 ARG A 98 -9.369 3.302 -10.112 1.00 0.00 N ATOM 0 H ARG A 98 -4.163 2.344 -11.439 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.187 3.241 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.820 4.300 -13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.191 3.594 -14.515 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.470 5.445 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.459 6.018 -13.771 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.753 5.882 -13.138 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.473 4.530 -14.218 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.021 3.072 -12.521 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.106 6.116 -10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.600 5.549 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.659 2.408 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.470 3.473 -9.111 1.00 0.00 H new ATOM 604 N LEU A 99 -6.959 0.699 -11.979 1.00 0.00 N ATOM 605 CA LEU A 99 -7.890 -0.426 -12.089 1.00 0.00 C ATOM 606 C LEU A 99 -9.368 0.016 -12.057 1.00 0.00 C ATOM 607 O LEU A 99 -9.680 1.172 -11.752 1.00 0.00 O ATOM 608 CB LEU A 99 -7.575 -1.465 -11.003 1.00 0.00 C ATOM 609 CG LEU A 99 -6.084 -1.840 -10.903 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.895 -2.901 -9.820 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.532 -2.374 -12.230 1.00 0.00 C ATOM 0 H LEU A 99 -6.335 0.627 -11.175 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.748 -0.886 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.907 -1.079 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.153 -2.368 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.535 -0.933 -10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.840 -3.166 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.235 -2.508 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.475 -3.788 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.478 -2.625 -12.111 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.087 -3.266 -12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.638 -1.611 -13.002 1.00 0.00 H new ATOM 623 N GLN A 100 -10.283 -0.890 -12.397 1.00 0.00 N ATOM 624 CA GLN A 100 -11.702 -0.599 -12.583 1.00 0.00 C ATOM 625 C GLN A 100 -12.460 -0.701 -11.254 1.00 0.00 C ATOM 626 O GLN A 100 -13.168 0.221 -10.850 1.00 0.00 O ATOM 627 CB GLN A 100 -12.319 -1.587 -13.593 1.00 0.00 C ATOM 628 CG GLN A 100 -11.412 -1.987 -14.769 1.00 0.00 C ATOM 629 CD GLN A 100 -12.058 -3.062 -15.633 1.00 0.00 C ATOM 630 OE1 GLN A 100 -12.345 -2.846 -16.802 1.00 0.00 O ATOM 631 NE2 GLN A 100 -12.304 -4.239 -15.086 1.00 0.00 N ATOM 0 H GLN A 100 -10.052 -1.871 -12.554 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.789 0.419 -12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.610 -2.491 -13.058 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.231 -1.146 -13.995 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.197 -1.109 -15.379 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.458 -2.351 -14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.061 -4.409 -14.110 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.737 -4.978 -15.640 1.00 0.00 H new ATOM 640 N SER A 101 -12.354 -1.860 -10.604 1.00 0.00 N ATOM 641 CA SER A 101 -13.271 -2.302 -9.556 1.00 0.00 C ATOM 642 C SER A 101 -12.687 -2.238 -8.140 1.00 0.00 C ATOM 643 O SER A 101 -11.517 -2.534 -7.910 1.00 0.00 O ATOM 644 CB SER A 101 -13.721 -3.734 -9.863 1.00 0.00 C ATOM 645 OG SER A 101 -14.613 -4.201 -8.861 1.00 0.00 O ATOM 0 H SER A 101 -11.611 -2.532 -10.797 1.00 0.00 H new ATOM 0 HA SER A 101 -14.111 -1.608 -9.563 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.209 -3.767 -10.837 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.852 -4.390 -9.919 1.00 0.00 H new ATOM 0 HG SER A 101 -14.892 -5.116 -9.073 1.00 0.00 H new ATOM 651 N GLU A 102 -13.552 -1.936 -7.175 1.00 0.00 N ATOM 652 CA GLU A 102 -13.365 -2.138 -5.741 1.00 0.00 C ATOM 653 C GLU A 102 -12.665 -3.487 -5.438 1.00 0.00 C ATOM 654 O GLU A 102 -11.641 -3.571 -4.756 1.00 0.00 O ATOM 655 CB GLU A 102 -14.776 -1.988 -5.146 1.00 0.00 C ATOM 656 CG GLU A 102 -14.811 -1.844 -3.622 1.00 0.00 C ATOM 657 CD GLU A 102 -15.092 -3.144 -2.902 1.00 0.00 C ATOM 658 OE1 GLU A 102 -14.267 -4.077 -2.976 1.00 0.00 O ATOM 659 OE2 GLU A 102 -16.140 -3.238 -2.232 1.00 0.00 O ATOM 0 H GLU A 102 -14.458 -1.518 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.689 -1.415 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.254 -1.115 -5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.370 -2.856 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.855 -1.447 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.574 -1.115 -3.351 1.00 0.00 H new ATOM 666 N GLN A 103 -13.138 -4.548 -6.094 1.00 0.00 N ATOM 667 CA GLN A 103 -12.562 -5.881 -5.970 1.00 0.00 C ATOM 668 C GLN A 103 -11.126 -5.964 -6.511 1.00 0.00 C ATOM 669 O GLN A 103 -10.256 -6.599 -5.911 1.00 0.00 O ATOM 670 CB GLN A 103 -13.496 -6.859 -6.697 1.00 0.00 C ATOM 671 CG GLN A 103 -13.089 -8.334 -6.562 1.00 0.00 C ATOM 672 CD GLN A 103 -12.960 -8.791 -5.117 1.00 0.00 C ATOM 673 OE1 GLN A 103 -11.775 -8.693 -4.549 1.00 0.00 O flip ATOM 674 NE2 GLN A 103 -13.913 -9.245 -4.497 1.00 0.00 N flip ATOM 0 H GLN A 103 -13.935 -4.503 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.482 -6.140 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.507 -6.735 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.526 -6.597 -7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.828 -8.956 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.138 -8.490 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.826 -9.317 -4.946 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.794 -9.552 -3.532 1.00 0.00 H new ATOM 683 N GLU A 104 -10.876 -5.340 -7.658 1.00 0.00 N ATOM 684 CA GLU A 104 -9.558 -5.306 -8.274 1.00 0.00 C ATOM 685 C GLU A 104 -8.568 -4.527 -7.409 1.00 0.00 C ATOM 686 O GLU A 104 -7.438 -4.972 -7.204 1.00 0.00 O ATOM 687 CB GLU A 104 -9.648 -4.665 -9.654 1.00 0.00 C ATOM 688 CG GLU A 104 -10.475 -5.501 -10.642 1.00 0.00 C ATOM 689 CD GLU A 104 -10.975 -4.652 -11.803 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.449 -3.531 -11.967 1.00 0.00 O ATOM 691 OE2 GLU A 104 -11.961 -5.064 -12.440 1.00 0.00 O ATOM 0 H GLU A 104 -11.590 -4.840 -8.189 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.200 -6.331 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.092 -3.674 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.643 -4.528 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.868 -6.322 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.324 -5.947 -10.123 1.00 0.00 H new ATOM 698 N VAL A 105 -8.973 -3.371 -6.878 1.00 0.00 N ATOM 699 CA VAL A 105 -8.060 -2.575 -6.082 1.00 0.00 C ATOM 700 C VAL A 105 -7.772 -3.276 -4.758 1.00 0.00 C ATOM 701 O VAL A 105 -6.611 -3.364 -4.378 1.00 0.00 O ATOM 702 CB VAL A 105 -8.484 -1.101 -5.970 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.582 -0.467 -7.362 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.811 -0.921 -5.253 1.00 0.00 C ATOM 0 H VAL A 105 -9.908 -2.979 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.105 -2.508 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.715 -0.605 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.883 0.576 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.612 -0.521 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.321 -1.005 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.058 0.140 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.593 -1.451 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.736 -1.322 -4.242 1.00 0.00 H new ATOM 714 N LEU A 106 -8.753 -3.909 -4.097 1.00 0.00 N ATOM 715 CA LEU A 106 -8.379 -4.728 -2.938 1.00 0.00 C ATOM 716 C LEU A 106 -7.466 -5.905 -3.326 1.00 0.00 C ATOM 717 O LEU A 106 -6.510 -6.189 -2.606 1.00 0.00 O ATOM 718 CB LEU A 106 -9.583 -5.088 -2.050 1.00 0.00 C ATOM 719 CG LEU A 106 -10.462 -6.267 -2.483 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.792 -7.626 -2.234 1.00 0.00 C ATOM 721 CD2 LEU A 106 -11.777 -6.207 -1.696 1.00 0.00 C ATOM 0 H LEU A 106 -9.747 -3.876 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.758 -4.112 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.209 -5.299 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.219 -4.206 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.633 -6.181 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.458 -8.425 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.859 -7.680 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.582 -7.739 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.416 -7.039 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.566 -6.273 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.285 -5.266 -1.908 1.00 0.00 H new ATOM 733 N ASN A 107 -7.679 -6.563 -4.474 1.00 0.00 N ATOM 734 CA ASN A 107 -6.761 -7.620 -4.921 1.00 0.00 C ATOM 735 C ASN A 107 -5.321 -7.094 -5.064 1.00 0.00 C ATOM 736 O ASN A 107 -4.390 -7.585 -4.417 1.00 0.00 O ATOM 737 CB ASN A 107 -7.226 -8.230 -6.254 1.00 0.00 C ATOM 738 CG ASN A 107 -8.527 -9.015 -6.169 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.897 -9.545 -5.128 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.236 -9.129 -7.280 1.00 0.00 N ATOM 0 H ASN A 107 -8.464 -6.387 -5.100 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.771 -8.396 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.347 -7.429 -6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.443 -8.888 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.104 -9.664 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.914 -8.682 -8.138 1.00 0.00 H new ATOM 747 N TYR A 108 -5.138 -6.093 -5.921 1.00 0.00 N ATOM 748 CA TYR A 108 -3.839 -5.504 -6.214 1.00 0.00 C ATOM 749 C TYR A 108 -3.199 -4.891 -4.963 1.00 0.00 C ATOM 750 O TYR A 108 -2.071 -5.236 -4.616 1.00 0.00 O ATOM 751 CB TYR A 108 -4.007 -4.488 -7.345 1.00 0.00 C ATOM 752 CG TYR A 108 -2.708 -4.005 -7.963 1.00 0.00 C ATOM 753 CD1 TYR A 108 -1.913 -3.050 -7.303 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.336 -4.441 -9.249 1.00 0.00 C ATOM 755 CE1 TYR A 108 -0.851 -2.429 -7.974 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.193 -3.907 -9.865 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.464 -2.888 -9.238 1.00 0.00 C ATOM 758 OH TYR A 108 0.687 -2.462 -9.815 1.00 0.00 O ATOM 0 H TYR A 108 -5.904 -5.662 -6.439 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.150 -6.282 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.622 -4.934 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.554 -3.626 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.122 -2.794 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.929 -5.185 -9.761 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.333 -1.599 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.874 -4.283 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 108 1.297 -2.131 -9.123 1.00 0.00 H new ATOM 768 N ILE A 109 -3.912 -4.017 -4.246 1.00 0.00 N ATOM 769 CA ILE A 109 -3.405 -3.416 -3.014 1.00 0.00 C ATOM 770 C ILE A 109 -2.908 -4.499 -2.046 1.00 0.00 C ATOM 771 O ILE A 109 -1.771 -4.447 -1.599 1.00 0.00 O ATOM 772 CB ILE A 109 -4.442 -2.515 -2.320 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.750 -1.269 -3.160 1.00 0.00 C ATOM 774 CG2 ILE A 109 -3.885 -2.053 -0.966 1.00 0.00 C ATOM 775 CD1 ILE A 109 -5.914 -0.456 -2.591 1.00 0.00 C ATOM 0 H ILE A 109 -4.850 -3.710 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.569 -2.778 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.357 -3.093 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.861 -0.640 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.986 -1.571 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.616 -1.414 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.680 -2.922 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.963 -1.494 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.092 0.415 -3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.811 -1.074 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.669 -0.129 -1.581 1.00 0.00 H new ATOM 787 N GLU A 110 -3.728 -5.504 -1.720 1.00 0.00 N ATOM 788 CA GLU A 110 -3.317 -6.607 -0.845 1.00 0.00 C ATOM 789 C GLU A 110 -2.045 -7.319 -1.358 1.00 0.00 C ATOM 790 O GLU A 110 -1.137 -7.644 -0.580 1.00 0.00 O ATOM 791 CB GLU A 110 -4.499 -7.568 -0.649 1.00 0.00 C ATOM 792 CG GLU A 110 -5.644 -6.886 0.136 1.00 0.00 C ATOM 793 CD GLU A 110 -5.503 -6.938 1.643 1.00 0.00 C ATOM 794 OE1 GLU A 110 -6.010 -7.928 2.217 1.00 0.00 O ATOM 795 OE2 GLU A 110 -4.899 -6.008 2.211 1.00 0.00 O ATOM 0 H GLU A 110 -4.689 -5.576 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.042 -6.201 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.867 -7.901 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.165 -8.456 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.705 -5.842 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.587 -7.357 -0.143 1.00 0.00 H new ATOM 802 N THR A 111 -1.953 -7.536 -2.674 1.00 0.00 N ATOM 803 CA THR A 111 -0.745 -8.065 -3.318 1.00 0.00 C ATOM 804 C THR A 111 0.483 -7.174 -3.062 1.00 0.00 C ATOM 805 O THR A 111 1.457 -7.628 -2.459 1.00 0.00 O ATOM 806 CB THR A 111 -0.973 -8.313 -4.819 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.101 -9.152 -4.978 1.00 0.00 O ATOM 808 CG2 THR A 111 0.216 -9.029 -5.458 1.00 0.00 C ATOM 0 H THR A 111 -2.716 -7.349 -3.325 1.00 0.00 H new ATOM 0 HA THR A 111 -0.530 -9.030 -2.859 1.00 0.00 H new ATOM 0 HB THR A 111 -1.112 -7.344 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.918 -8.639 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.019 -9.187 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.112 -8.420 -5.343 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.366 -9.992 -4.970 1.00 0.00 H new ATOM 816 N GLN A 112 0.444 -5.894 -3.436 1.00 0.00 N ATOM 817 CA GLN A 112 1.587 -5.008 -3.253 1.00 0.00 C ATOM 818 C GLN A 112 1.919 -4.782 -1.759 1.00 0.00 C ATOM 819 O GLN A 112 3.071 -4.799 -1.343 1.00 0.00 O ATOM 820 CB GLN A 112 1.366 -3.700 -4.016 1.00 0.00 C ATOM 821 CG GLN A 112 0.979 -3.817 -5.493 1.00 0.00 C ATOM 822 CD GLN A 112 2.114 -4.349 -6.348 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.466 -5.520 -6.262 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.725 -3.508 -7.154 1.00 0.00 N ATOM 0 H GLN A 112 -0.368 -5.451 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 112 2.468 -5.493 -3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.586 -3.136 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.280 -3.110 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.116 -4.476 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.675 -2.838 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.415 -2.538 -7.209 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.509 -3.826 -7.724 1.00 0.00 H new ATOM 833 N ARG A 113 0.901 -4.674 -0.907 1.00 0.00 N ATOM 834 CA ARG A 113 0.989 -4.733 0.556 1.00 0.00 C ATOM 835 C ARG A 113 1.712 -6.016 1.042 1.00 0.00 C ATOM 836 O ARG A 113 2.292 -6.083 2.130 1.00 0.00 O ATOM 837 CB ARG A 113 -0.453 -4.625 1.088 1.00 0.00 C ATOM 838 CG ARG A 113 -0.625 -4.491 2.604 1.00 0.00 C ATOM 839 CD ARG A 113 -2.116 -4.572 2.958 1.00 0.00 C ATOM 840 NE ARG A 113 -2.338 -4.434 4.419 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.134 -5.192 5.188 1.00 0.00 C ATOM 842 NH1 ARG A 113 -3.964 -6.084 4.689 1.00 0.00 N ATOM 843 NH2 ARG A 113 -3.106 -5.078 6.500 1.00 0.00 N ATOM 0 H ARG A 113 -0.056 -4.536 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 113 1.594 -3.913 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.925 -3.763 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.002 -5.508 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.075 -5.282 3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.210 -3.543 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.659 -3.787 2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.521 -5.525 2.616 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.832 -3.683 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.020 -6.220 3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.551 -6.639 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.475 -4.409 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.715 -5.659 7.076 1.00 0.00 H new ATOM 857 N THR A 114 1.652 -7.104 0.277 1.00 0.00 N ATOM 858 CA THR A 114 2.454 -8.312 0.512 1.00 0.00 C ATOM 859 C THR A 114 3.897 -8.231 -0.009 1.00 0.00 C ATOM 860 O THR A 114 4.807 -8.607 0.728 1.00 0.00 O ATOM 861 CB THR A 114 1.646 -9.551 0.117 1.00 0.00 C ATOM 862 OG1 THR A 114 0.460 -9.497 0.900 1.00 0.00 O ATOM 863 CG2 THR A 114 2.373 -10.862 0.417 1.00 0.00 C ATOM 0 H THR A 114 1.039 -7.177 -0.535 1.00 0.00 H new ATOM 0 HA THR A 114 2.644 -8.405 1.581 1.00 0.00 H new ATOM 0 HB THR A 114 1.465 -9.540 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.178 -8.879 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.748 -11.702 0.114 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.313 -10.891 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.577 -10.928 1.486 1.00 0.00 H new ATOM 871 N TYR A 115 4.141 -7.651 -1.184 1.00 0.00 N ATOM 872 CA TYR A 115 5.486 -7.184 -1.563 1.00 0.00 C ATOM 873 C TYR A 115 6.141 -6.357 -0.432 1.00 0.00 C ATOM 874 O TYR A 115 7.201 -6.714 0.083 1.00 0.00 O ATOM 875 CB TYR A 115 5.401 -6.433 -2.902 1.00 0.00 C ATOM 876 CG TYR A 115 6.344 -5.258 -3.094 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.686 -5.480 -3.452 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.844 -3.939 -3.053 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.486 -4.404 -3.875 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.660 -2.863 -3.434 1.00 0.00 C ATOM 881 CZ TYR A 115 7.952 -3.108 -3.912 1.00 0.00 C ATOM 882 OH TYR A 115 8.661 -2.100 -4.485 1.00 0.00 O ATOM 0 H TYR A 115 3.427 -7.490 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 115 6.146 -8.040 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.583 -7.148 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.380 -6.071 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.101 -6.476 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.830 -3.757 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.510 -4.575 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.292 -1.850 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 115 8.149 -1.723 -5.231 1.00 0.00 H new ATOM 892 N TRP A 116 5.472 -5.301 0.032 1.00 0.00 N ATOM 893 CA TRP A 116 5.943 -4.481 1.145 1.00 0.00 C ATOM 894 C TRP A 116 6.241 -5.280 2.425 1.00 0.00 C ATOM 895 O TRP A 116 7.265 -5.046 3.068 1.00 0.00 O ATOM 896 CB TRP A 116 4.991 -3.304 1.385 1.00 0.00 C ATOM 897 CG TRP A 116 5.306 -2.088 0.564 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.514 -1.522 -0.373 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.530 -1.292 0.576 1.00 0.00 C ATOM 900 NE1 TRP A 116 5.157 -0.429 -0.922 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.396 -0.236 -0.368 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.747 -1.363 1.287 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.399 0.717 -0.585 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.776 -0.436 1.046 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.602 0.605 0.119 1.00 0.00 C ATOM 0 H TRP A 116 4.582 -4.990 -0.358 1.00 0.00 H new ATOM 0 HA TRP A 116 6.912 -4.077 0.852 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.972 -3.624 1.166 1.00 0.00 H new ATOM 0 HB3 TRP A 116 5.021 -3.035 2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.530 -1.870 -0.650 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.758 0.162 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.889 -2.139 2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.246 1.525 -1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.711 -0.525 1.580 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.396 1.318 -0.050 1.00 0.00 H new ATOM 916 N LYS A 117 5.417 -6.267 2.802 1.00 0.00 N ATOM 917 CA LYS A 117 5.842 -7.205 3.853 1.00 0.00 C ATOM 918 C LYS A 117 7.226 -7.833 3.575 1.00 0.00 C ATOM 919 O LYS A 117 8.115 -7.736 4.424 1.00 0.00 O ATOM 920 CB LYS A 117 4.780 -8.281 4.134 1.00 0.00 C ATOM 921 CG LYS A 117 3.585 -7.705 4.892 1.00 0.00 C ATOM 922 CD LYS A 117 2.552 -8.773 5.295 1.00 0.00 C ATOM 923 CE LYS A 117 1.756 -9.365 4.122 1.00 0.00 C ATOM 924 NZ LYS A 117 0.945 -8.353 3.404 1.00 0.00 N ATOM 0 H LYS A 117 4.489 -6.435 2.414 1.00 0.00 H new ATOM 0 HA LYS A 117 5.949 -6.608 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.441 -8.713 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.225 -9.090 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.942 -7.197 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.098 -6.953 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.068 -9.582 5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.853 -8.334 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.447 -9.833 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.099 -10.151 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.498 -8.792 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.209 -7.984 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.559 -7.573 3.094 1.00 0.00 H new ATOM 938 N LEU A 118 7.449 -8.424 2.398 1.00 0.00 N ATOM 939 CA LEU A 118 8.768 -8.960 2.028 1.00 0.00 C ATOM 940 C LEU A 118 9.890 -7.905 2.144 1.00 0.00 C ATOM 941 O LEU A 118 10.926 -8.158 2.765 1.00 0.00 O ATOM 942 CB LEU A 118 8.742 -9.601 0.631 1.00 0.00 C ATOM 943 CG LEU A 118 7.676 -10.695 0.450 1.00 0.00 C ATOM 944 CD1 LEU A 118 7.847 -11.332 -0.931 1.00 0.00 C ATOM 945 CD2 LEU A 118 7.752 -11.788 1.520 1.00 0.00 C ATOM 0 H LEU A 118 6.733 -8.545 1.681 1.00 0.00 H new ATOM 0 HA LEU A 118 9.000 -9.742 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 118 8.572 -8.820 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.723 -10.029 0.423 1.00 0.00 H new ATOM 0 HG LEU A 118 6.701 -10.217 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.095 -12.109 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.726 -10.570 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.842 -11.771 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.975 -12.530 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.729 -12.269 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.606 -11.344 2.505 1.00 0.00 H new ATOM 957 N GLU A 119 9.687 -6.695 1.618 1.00 0.00 N ATOM 958 CA GLU A 119 10.623 -5.583 1.818 1.00 0.00 C ATOM 959 C GLU A 119 10.902 -5.309 3.303 1.00 0.00 C ATOM 960 O GLU A 119 12.045 -5.151 3.734 1.00 0.00 O ATOM 961 CB GLU A 119 10.107 -4.322 1.109 1.00 0.00 C ATOM 962 CG GLU A 119 10.081 -4.480 -0.421 1.00 0.00 C ATOM 963 CD GLU A 119 11.437 -4.839 -0.993 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.460 -4.312 -0.506 1.00 0.00 O ATOM 965 OE2 GLU A 119 11.512 -5.755 -1.833 1.00 0.00 O ATOM 0 H GLU A 119 8.877 -6.458 1.046 1.00 0.00 H new ATOM 0 HA GLU A 119 11.575 -5.873 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.103 -4.093 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.740 -3.475 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.361 -5.253 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.735 -3.550 -0.873 1.00 0.00 H new ATOM 972 N ASN A 120 9.863 -5.291 4.135 1.00 0.00 N ATOM 973 CA ASN A 120 9.993 -5.099 5.578 1.00 0.00 C ATOM 974 C ASN A 120 10.597 -6.329 6.301 1.00 0.00 C ATOM 975 O ASN A 120 11.071 -6.221 7.438 1.00 0.00 O ATOM 976 CB ASN A 120 8.642 -4.710 6.193 1.00 0.00 C ATOM 977 CG ASN A 120 7.900 -3.533 5.563 1.00 0.00 C ATOM 978 OD1 ASN A 120 6.727 -3.325 5.833 1.00 0.00 O ATOM 979 ND2 ASN A 120 8.533 -2.725 4.730 1.00 0.00 N ATOM 0 H ASN A 120 8.899 -5.410 3.824 1.00 0.00 H new ATOM 0 HA ASN A 120 10.699 -4.281 5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.989 -5.582 6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.804 -4.482 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.042 -1.933 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.513 -2.894 4.501 1.00 0.00 H new ATOM 986 N GLN A 121 10.565 -7.508 5.676 1.00 0.00 N ATOM 987 CA GLN A 121 11.128 -8.768 6.171 1.00 0.00 C ATOM 988 C GLN A 121 12.639 -8.898 5.912 1.00 0.00 C ATOM 989 O GLN A 121 13.373 -9.262 6.825 1.00 0.00 O ATOM 990 CB GLN A 121 10.370 -9.942 5.532 1.00 0.00 C ATOM 991 CG GLN A 121 9.021 -10.217 6.212 1.00 0.00 C ATOM 992 CD GLN A 121 8.095 -11.064 5.349 1.00 0.00 C ATOM 993 OE1 GLN A 121 6.941 -10.724 5.146 1.00 0.00 O ATOM 994 NE2 GLN A 121 8.573 -12.172 4.814 1.00 0.00 N ATOM 0 H GLN A 121 10.123 -7.616 4.763 1.00 0.00 H new ATOM 0 HA GLN A 121 11.005 -8.781 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.203 -9.730 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.988 -10.839 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.193 -10.725 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.533 -9.269 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.539 -12.448 4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.976 -12.753 4.225 1.00 0.00 H new ATOM 1003 N LYS A 122 13.104 -8.622 4.686 1.00 0.00 N ATOM 1004 CA LYS A 122 14.491 -8.843 4.248 1.00 0.00 C ATOM 1005 C LYS A 122 15.583 -8.426 5.274 1.00 0.00 C ATOM 1006 O LYS A 122 15.430 -7.447 6.010 1.00 0.00 O ATOM 1007 CB LYS A 122 14.694 -8.155 2.882 1.00 0.00 C ATOM 1008 CG LYS A 122 14.199 -8.987 1.684 1.00 0.00 C ATOM 1009 CD LYS A 122 14.549 -8.342 0.324 1.00 0.00 C ATOM 1010 CE LYS A 122 13.660 -7.131 0.007 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.973 -6.496 -1.295 1.00 0.00 N ATOM 0 H LYS A 122 12.513 -8.230 3.953 1.00 0.00 H new ATOM 0 HA LYS A 122 14.627 -9.921 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.172 -7.198 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.754 -7.940 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.638 -9.983 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 122 13.118 -9.111 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 122 15.594 -8.031 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.442 -9.085 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.616 -7.446 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.771 -6.391 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 13.327 -5.697 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 14.954 -6.152 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.858 -7.193 -2.058 1.00 0.00 H new ATOM 1025 N LYS A 123 16.696 -9.173 5.314 1.00 0.00 N ATOM 1026 CA LYS A 123 17.825 -8.972 6.236 1.00 0.00 C ATOM 1027 C LYS A 123 18.559 -7.628 6.080 1.00 0.00 C ATOM 1028 O LYS A 123 18.738 -7.165 4.962 1.00 0.00 O ATOM 1029 CB LYS A 123 18.814 -10.154 6.136 1.00 0.00 C ATOM 1030 CG LYS A 123 19.254 -10.653 4.741 1.00 0.00 C ATOM 1031 CD LYS A 123 20.224 -9.740 3.958 1.00 0.00 C ATOM 1032 CE LYS A 123 19.592 -9.243 2.647 1.00 0.00 C ATOM 1033 NZ LYS A 123 20.517 -8.388 1.868 1.00 0.00 N ATOM 0 H LYS A 123 16.840 -9.962 4.683 1.00 0.00 H new ATOM 0 HA LYS A 123 17.385 -8.936 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.714 -9.876 6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.369 -10.999 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.725 -11.629 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.361 -10.802 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.502 -8.886 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.141 -10.286 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 123 19.295 -10.099 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 123 18.685 -8.682 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.996 -7.927 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.926 -7.662 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.279 -8.973 1.471 1.00 0.00 H new ATOM 1047 N LEU A 124 19.027 -7.027 7.181 1.00 0.00 N ATOM 1048 CA LEU A 124 19.874 -5.823 7.198 1.00 0.00 C ATOM 1049 C LEU A 124 21.087 -6.065 8.117 1.00 0.00 C ATOM 1050 O LEU A 124 20.938 -6.161 9.331 1.00 0.00 O ATOM 1051 CB LEU A 124 19.036 -4.621 7.667 1.00 0.00 C ATOM 1052 CG LEU A 124 19.585 -3.220 7.327 1.00 0.00 C ATOM 1053 CD1 LEU A 124 21.025 -2.919 7.715 1.00 0.00 C ATOM 1054 CD2 LEU A 124 19.523 -2.897 5.858 1.00 0.00 C ATOM 0 H LEU A 124 18.821 -7.376 8.117 1.00 0.00 H new ATOM 0 HA LEU A 124 20.248 -5.605 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.040 -4.711 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.920 -4.688 8.749 1.00 0.00 H new ATOM 0 HG LEU A 124 18.915 -2.615 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 124 21.277 -1.901 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 124 21.140 -3.020 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 124 21.691 -3.620 7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 124 19.924 -1.898 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 124 20.113 -3.625 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 124 18.487 -2.934 5.521 1.00 0.00 H new ATOM 1066 N TYR A 125 22.281 -6.197 7.539 1.00 0.00 N ATOM 1067 CA TYR A 125 23.507 -6.615 8.250 1.00 0.00 C ATOM 1068 C TYR A 125 24.116 -5.551 9.190 1.00 0.00 C ATOM 1069 O TYR A 125 25.050 -5.826 9.937 1.00 0.00 O ATOM 1070 CB TYR A 125 24.534 -7.124 7.228 1.00 0.00 C ATOM 1071 CG TYR A 125 24.609 -6.308 5.952 1.00 0.00 C ATOM 1072 CD1 TYR A 125 25.007 -4.958 5.994 1.00 0.00 C ATOM 1073 CD2 TYR A 125 24.112 -6.853 4.752 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.844 -4.142 4.861 1.00 0.00 C ATOM 1075 CE2 TYR A 125 23.975 -6.041 3.617 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.344 -4.691 3.673 1.00 0.00 C ATOM 1077 OH TYR A 125 24.180 -3.917 2.574 1.00 0.00 O ATOM 0 H TYR A 125 22.435 -6.015 6.547 1.00 0.00 H new ATOM 0 HA TYR A 125 23.214 -7.419 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.518 -7.135 7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 125 24.292 -8.155 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.437 -4.550 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.836 -7.896 4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.104 -3.095 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.585 -6.457 2.700 1.00 0.00 H new ATOM 0 HH TYR A 125 24.272 -4.468 1.769 1.00 0.00 H new ATOM 1087 N ARG A 126 23.589 -4.327 9.162 1.00 0.00 N ATOM 1088 CA ARG A 126 23.965 -3.206 10.023 1.00 0.00 C ATOM 1089 C ARG A 126 25.377 -2.658 9.780 1.00 0.00 C ATOM 1090 O ARG A 126 25.509 -1.555 9.256 1.00 0.00 O ATOM 1091 CB ARG A 126 23.730 -3.525 11.512 1.00 0.00 C ATOM 1092 CG ARG A 126 22.270 -3.340 11.944 1.00 0.00 C ATOM 1093 CD ARG A 126 21.930 -1.858 12.187 1.00 0.00 C ATOM 1094 NE ARG A 126 21.378 -1.172 10.994 1.00 0.00 N ATOM 1095 CZ ARG A 126 20.093 -1.196 10.623 1.00 0.00 C ATOM 1096 NH1 ARG A 126 19.268 -2.043 11.199 1.00 0.00 N ATOM 1097 NH2 ARG A 126 19.589 -0.397 9.704 1.00 0.00 N ATOM 0 H ARG A 126 22.850 -4.078 8.504 1.00 0.00 H new ATOM 0 HA ARG A 126 23.294 -2.397 9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.034 -4.553 11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.367 -2.882 12.120 1.00 0.00 H new ATOM 0 HG2 ARG A 126 21.610 -3.743 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 126 22.085 -3.910 12.855 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.209 -1.788 13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 126 22.830 -1.336 12.512 1.00 0.00 H new ATOM 0 HE ARG A 126 22.027 -0.642 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.609 -2.675 11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.287 -2.068 10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.188 0.284 9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.600 -0.459 9.461 1.00 0.00 H new ATOM 1284 N LEU B 68 17.661 13.721 2.317 1.00 0.00 N ATOM 1285 CA LEU B 68 18.838 12.853 2.246 1.00 0.00 C ATOM 1286 C LEU B 68 20.170 13.585 2.520 1.00 0.00 C ATOM 1287 O LEU B 68 21.020 13.745 1.646 1.00 0.00 O ATOM 1288 CB LEU B 68 18.808 11.983 0.970 1.00 0.00 C ATOM 1289 CG LEU B 68 18.038 10.663 1.172 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.566 10.888 1.536 1.00 0.00 C ATOM 1291 CD2 LEU B 68 18.112 9.835 -0.116 1.00 0.00 C ATOM 0 HA LEU B 68 18.784 12.153 3.080 1.00 0.00 H new ATOM 0 HB2 LEU B 68 18.347 12.548 0.160 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.830 11.760 0.662 1.00 0.00 H new ATOM 0 HG LEU B 68 18.506 10.138 2.005 1.00 0.00 H new ATOM 0 HD11 LEU B 68 16.072 9.925 1.666 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.503 11.457 2.464 1.00 0.00 H new ATOM 0 HD13 LEU B 68 16.074 11.443 0.737 1.00 0.00 H new ATOM 0 HD21 LEU B 68 17.569 8.900 0.021 1.00 0.00 H new ATOM 0 HD22 LEU B 68 17.665 10.397 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU B 68 19.154 9.618 -0.350 1.00 0.00 H new ATOM 1303 N SER B 69 20.365 13.984 3.778 1.00 0.00 N ATOM 1304 CA SER B 69 21.667 14.307 4.364 1.00 0.00 C ATOM 1305 C SER B 69 22.458 13.047 4.782 1.00 0.00 C ATOM 1306 O SER B 69 22.109 11.918 4.448 1.00 0.00 O ATOM 1307 CB SER B 69 21.456 15.245 5.561 1.00 0.00 C ATOM 1308 OG SER B 69 22.679 15.864 5.946 1.00 0.00 O ATOM 0 H SER B 69 19.596 14.095 4.439 1.00 0.00 H new ATOM 0 HA SER B 69 22.269 14.804 3.604 1.00 0.00 H new ATOM 0 HB2 SER B 69 20.723 16.009 5.304 1.00 0.00 H new ATOM 0 HB3 SER B 69 21.049 14.682 6.401 1.00 0.00 H new ATOM 0 HG SER B 69 22.519 16.458 6.709 1.00 0.00 H new ATOM 1314 N ALA B 70 23.575 13.251 5.485 1.00 0.00 N ATOM 1315 CA ALA B 70 24.592 12.230 5.742 1.00 0.00 C ATOM 1316 C ALA B 70 24.080 10.946 6.431 1.00 0.00 C ATOM 1317 O ALA B 70 24.127 9.866 5.848 1.00 0.00 O ATOM 1318 CB ALA B 70 25.741 12.868 6.531 1.00 0.00 C ATOM 0 H ALA B 70 23.802 14.154 5.901 1.00 0.00 H new ATOM 0 HA ALA B 70 24.935 11.880 4.768 1.00 0.00 H new ATOM 0 HB1 ALA B 70 26.507 12.118 6.730 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.173 13.683 5.950 1.00 0.00 H new ATOM 0 HB3 ALA B 70 25.361 13.258 7.475 1.00 0.00 H new ATOM 1324 N CYS B 71 23.652 11.039 7.691 1.00 0.00 N ATOM 1325 CA CYS B 71 23.260 9.877 8.489 1.00 0.00 C ATOM 1326 C CYS B 71 22.100 9.093 7.853 1.00 0.00 C ATOM 1327 O CYS B 71 22.164 7.865 7.750 1.00 0.00 O ATOM 1328 CB CYS B 71 22.969 10.310 9.931 1.00 0.00 C ATOM 1329 SG CYS B 71 21.573 11.451 10.041 1.00 0.00 S ATOM 0 H CYS B 71 23.567 11.926 8.188 1.00 0.00 H new ATOM 0 HA CYS B 71 24.095 9.177 8.512 1.00 0.00 H new ATOM 0 HB2 CYS B 71 22.762 9.428 10.537 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.856 10.784 10.351 1.00 0.00 H new ATOM 0 HG CYS B 71 21.139 11.489 11.266 1.00 0.00 H new ATOM 1335 N GLU B 72 21.056 9.766 7.366 1.00 0.00 N ATOM 1336 CA GLU B 72 19.966 9.084 6.690 1.00 0.00 C ATOM 1337 C GLU B 72 20.424 8.433 5.373 1.00 0.00 C ATOM 1338 O GLU B 72 20.075 7.287 5.116 1.00 0.00 O ATOM 1339 CB GLU B 72 18.725 9.985 6.581 1.00 0.00 C ATOM 1340 CG GLU B 72 18.859 11.203 5.650 1.00 0.00 C ATOM 1341 CD GLU B 72 19.390 12.469 6.301 1.00 0.00 C ATOM 1342 OE1 GLU B 72 20.401 12.393 7.027 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.821 13.534 5.974 1.00 0.00 O ATOM 0 H GLU B 72 20.948 10.778 7.430 1.00 0.00 H new ATOM 0 HA GLU B 72 19.646 8.242 7.304 1.00 0.00 H new ATOM 0 HB2 GLU B 72 17.888 9.378 6.235 1.00 0.00 H new ATOM 0 HB3 GLU B 72 18.470 10.341 7.579 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.518 10.936 4.824 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.881 11.419 5.220 1.00 0.00 H new ATOM 1350 N VAL B 73 21.263 9.087 4.562 1.00 0.00 N ATOM 1351 CA VAL B 73 21.828 8.462 3.358 1.00 0.00 C ATOM 1352 C VAL B 73 22.631 7.209 3.714 1.00 0.00 C ATOM 1353 O VAL B 73 22.428 6.147 3.133 1.00 0.00 O ATOM 1354 CB VAL B 73 22.674 9.471 2.565 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.544 8.803 1.496 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.746 10.447 1.842 1.00 0.00 C ATOM 0 H VAL B 73 21.566 10.049 4.716 1.00 0.00 H new ATOM 0 HA VAL B 73 21.003 8.148 2.718 1.00 0.00 H new ATOM 0 HB VAL B 73 23.322 9.970 3.285 1.00 0.00 H new ATOM 0 HG11 VAL B 73 24.119 9.563 0.968 1.00 0.00 H new ATOM 0 HG12 VAL B 73 24.225 8.097 1.971 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.907 8.273 0.788 1.00 0.00 H new ATOM 0 HG21 VAL B 73 22.341 11.165 1.278 1.00 0.00 H new ATOM 0 HG22 VAL B 73 21.099 9.896 1.159 1.00 0.00 H new ATOM 0 HG23 VAL B 73 21.135 10.977 2.573 1.00 0.00 H new ATOM 1366 N ALA B 74 23.520 7.313 4.702 1.00 0.00 N ATOM 1367 CA ALA B 74 24.347 6.188 5.129 1.00 0.00 C ATOM 1368 C ALA B 74 23.475 4.993 5.542 1.00 0.00 C ATOM 1369 O ALA B 74 23.685 3.857 5.125 1.00 0.00 O ATOM 1370 CB ALA B 74 25.261 6.643 6.271 1.00 0.00 C ATOM 0 H ALA B 74 23.685 8.173 5.224 1.00 0.00 H new ATOM 0 HA ALA B 74 24.967 5.854 4.297 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.882 5.808 6.595 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.899 7.456 5.925 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.654 6.989 7.107 1.00 0.00 H new ATOM 1376 N VAL B 75 22.459 5.256 6.360 1.00 0.00 N ATOM 1377 CA VAL B 75 21.575 4.193 6.826 1.00 0.00 C ATOM 1378 C VAL B 75 20.693 3.629 5.681 1.00 0.00 C ATOM 1379 O VAL B 75 20.463 2.419 5.590 1.00 0.00 O ATOM 1380 CB VAL B 75 20.824 4.654 8.085 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.813 3.606 8.548 1.00 0.00 C ATOM 1382 CG2 VAL B 75 21.854 4.835 9.207 1.00 0.00 C ATOM 0 H VAL B 75 22.229 6.186 6.710 1.00 0.00 H new ATOM 0 HA VAL B 75 22.162 3.328 7.136 1.00 0.00 H new ATOM 0 HB VAL B 75 20.293 5.578 7.856 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.300 3.965 9.440 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.084 3.429 7.757 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.333 2.676 8.777 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.349 5.163 10.115 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.358 3.887 9.394 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.588 5.584 8.910 1.00 0.00 H new ATOM 1392 N LEU B 76 20.225 4.495 4.781 1.00 0.00 N ATOM 1393 CA LEU B 76 19.534 4.120 3.540 1.00 0.00 C ATOM 1394 C LEU B 76 20.373 3.195 2.646 1.00 0.00 C ATOM 1395 O LEU B 76 19.869 2.212 2.107 1.00 0.00 O ATOM 1396 CB LEU B 76 19.096 5.381 2.779 1.00 0.00 C ATOM 1397 CG LEU B 76 17.758 6.015 3.215 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.634 5.582 2.265 1.00 0.00 C ATOM 1399 CD2 LEU B 76 17.294 5.739 4.654 1.00 0.00 C ATOM 0 H LEU B 76 20.317 5.504 4.895 1.00 0.00 H new ATOM 0 HA LEU B 76 18.650 3.548 3.821 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.880 6.132 2.882 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.028 5.134 1.719 1.00 0.00 H new ATOM 0 HG LEU B 76 17.964 7.085 3.173 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.695 6.035 2.582 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.869 5.906 1.251 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.538 4.496 2.286 1.00 0.00 H new ATOM 0 HD21 LEU B 76 16.343 6.241 4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 76 17.171 4.665 4.797 1.00 0.00 H new ATOM 0 HD23 LEU B 76 18.039 6.115 5.355 1.00 0.00 H new ATOM 1411 N ASP B 77 21.664 3.472 2.512 1.00 0.00 N ATOM 1412 CA ASP B 77 22.581 2.629 1.751 1.00 0.00 C ATOM 1413 C ASP B 77 22.680 1.236 2.397 1.00 0.00 C ATOM 1414 O ASP B 77 22.610 0.230 1.690 1.00 0.00 O ATOM 1415 CB ASP B 77 23.933 3.351 1.664 1.00 0.00 C ATOM 1416 CG ASP B 77 25.017 2.445 1.119 1.00 0.00 C ATOM 1417 OD1 ASP B 77 25.523 1.625 1.915 1.00 0.00 O ATOM 1418 OD2 ASP B 77 25.313 2.548 -0.086 1.00 0.00 O ATOM 0 H ASP B 77 22.107 4.290 2.929 1.00 0.00 H new ATOM 0 HA ASP B 77 22.218 2.466 0.736 1.00 0.00 H new ATOM 0 HB2 ASP B 77 23.837 4.229 1.025 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.220 3.707 2.653 1.00 0.00 H new ATOM 1423 N LEU B 78 22.710 1.129 3.736 1.00 0.00 N ATOM 1424 CA LEU B 78 22.611 -0.180 4.361 1.00 0.00 C ATOM 1425 C LEU B 78 21.370 -0.917 3.866 1.00 0.00 C ATOM 1426 O LEU B 78 21.450 -2.102 3.556 1.00 0.00 O ATOM 1427 CB LEU B 78 22.557 -0.112 5.888 1.00 0.00 C ATOM 1428 CG LEU B 78 23.644 0.708 6.573 1.00 0.00 C ATOM 1429 CD1 LEU B 78 23.387 0.722 8.083 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.047 0.171 6.272 1.00 0.00 C ATOM 0 H LEU B 78 22.800 1.914 4.382 1.00 0.00 H new ATOM 0 HA LEU B 78 23.517 -0.716 4.078 1.00 0.00 H new ATOM 0 HB2 LEU B 78 21.589 0.297 6.177 1.00 0.00 H new ATOM 0 HB3 LEU B 78 22.602 -1.130 6.276 1.00 0.00 H new ATOM 0 HG LEU B 78 23.604 1.724 6.180 1.00 0.00 H new ATOM 0 HD11 LEU B 78 24.162 1.307 8.579 1.00 0.00 H new ATOM 0 HD12 LEU B 78 22.412 1.168 8.282 1.00 0.00 H new ATOM 0 HD13 LEU B 78 23.404 -0.299 8.464 1.00 0.00 H new ATOM 0 HD21 LEU B 78 25.789 0.786 6.781 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.126 -0.858 6.623 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.226 0.202 5.197 1.00 0.00 H new ATOM 1442 N TYR B 79 20.207 -0.254 3.810 1.00 0.00 N ATOM 1443 CA TYR B 79 19.033 -0.889 3.232 1.00 0.00 C ATOM 1444 C TYR B 79 19.267 -1.330 1.784 1.00 0.00 C ATOM 1445 O TYR B 79 19.047 -2.498 1.468 1.00 0.00 O ATOM 1446 CB TYR B 79 17.796 0.007 3.334 1.00 0.00 C ATOM 1447 CG TYR B 79 17.346 0.326 4.735 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.062 -0.699 5.647 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.223 1.656 5.145 1.00 0.00 C ATOM 1450 CE1 TYR B 79 16.988 -0.402 7.015 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.216 1.956 6.511 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.192 0.919 7.448 1.00 0.00 C ATOM 1453 OH TYR B 79 17.217 1.204 8.779 1.00 0.00 O ATOM 0 H TYR B 79 20.063 0.697 4.150 1.00 0.00 H new ATOM 0 HA TYR B 79 18.847 -1.787 3.821 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.002 0.943 2.814 1.00 0.00 H new ATOM 0 HB3 TYR B 79 16.973 -0.476 2.807 1.00 0.00 H new ATOM 0 HD1 TYR B 79 16.902 -1.709 5.299 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.134 2.446 4.413 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.776 -1.183 7.731 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.229 2.984 6.840 1.00 0.00 H new ATOM 0 HH TYR B 79 16.906 0.425 9.286 1.00 0.00 H new ATOM 1463 N GLU B 80 19.693 -0.427 0.910 1.00 0.00 N ATOM 1464 CA GLU B 80 19.630 -0.647 -0.528 1.00 0.00 C ATOM 1465 C GLU B 80 20.797 -1.500 -1.070 1.00 0.00 C ATOM 1466 O GLU B 80 20.596 -2.406 -1.876 1.00 0.00 O ATOM 1467 CB GLU B 80 19.438 0.711 -1.204 1.00 0.00 C ATOM 1468 CG GLU B 80 19.033 0.544 -2.673 1.00 0.00 C ATOM 1469 CD GLU B 80 17.710 -0.206 -2.900 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.655 0.463 -2.861 1.00 0.00 O ATOM 1471 OE2 GLU B 80 17.755 -1.443 -3.095 1.00 0.00 O ATOM 0 H GLU B 80 20.090 0.474 1.177 1.00 0.00 H new ATOM 0 HA GLU B 80 18.770 -1.269 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU B 80 18.673 1.279 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU B 80 20.362 1.286 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU B 80 18.956 1.532 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU B 80 19.829 0.013 -3.196 1.00 0.00 H new ATOM 1478 N GLN B 81 22.007 -1.368 -0.518 1.00 0.00 N ATOM 1479 CA GLN B 81 23.039 -2.402 -0.691 1.00 0.00 C ATOM 1480 C GLN B 81 22.552 -3.781 -0.200 1.00 0.00 C ATOM 1481 O GLN B 81 22.860 -4.824 -0.777 1.00 0.00 O ATOM 1482 CB GLN B 81 24.344 -2.015 0.015 1.00 0.00 C ATOM 1483 CG GLN B 81 25.097 -0.878 -0.691 1.00 0.00 C ATOM 1484 CD GLN B 81 26.589 -0.937 -0.388 1.00 0.00 C ATOM 1485 OE1 GLN B 81 27.325 -1.711 -0.992 1.00 0.00 O ATOM 1486 NE2 GLN B 81 27.078 -0.177 0.571 1.00 0.00 N ATOM 0 H GLN B 81 22.296 -0.568 0.045 1.00 0.00 H new ATOM 0 HA GLN B 81 23.237 -2.475 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN B 81 24.121 -1.714 1.039 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.991 -2.890 0.074 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.938 -0.946 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.695 0.083 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.467 0.467 1.073 1.00 0.00 H new ATOM 0 HE22 GLN B 81 28.068 -0.232 0.811 1.00 0.00 H new ATOM 1495 N SER B 82 21.729 -3.806 0.850 1.00 0.00 N ATOM 1496 CA SER B 82 21.061 -5.030 1.289 1.00 0.00 C ATOM 1497 C SER B 82 19.825 -5.388 0.431 1.00 0.00 C ATOM 1498 O SER B 82 19.206 -6.433 0.657 1.00 0.00 O ATOM 1499 CB SER B 82 20.703 -4.911 2.768 1.00 0.00 C ATOM 1500 OG SER B 82 20.602 -6.194 3.359 1.00 0.00 O ATOM 0 H SER B 82 21.509 -2.986 1.415 1.00 0.00 H new ATOM 0 HA SER B 82 21.758 -5.856 1.151 1.00 0.00 H new ATOM 0 HB2 SER B 82 21.462 -4.324 3.286 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.758 -4.378 2.878 1.00 0.00 H new ATOM 0 HG SER B 82 19.693 -6.326 3.701 1.00 0.00 H new ATOM 1506 N ASN B 83 19.469 -4.541 -0.532 1.00 0.00 N ATOM 1507 CA ASN B 83 18.182 -4.410 -1.206 1.00 0.00 C ATOM 1508 C ASN B 83 16.961 -4.541 -0.288 1.00 0.00 C ATOM 1509 O ASN B 83 16.247 -5.547 -0.305 1.00 0.00 O ATOM 1510 CB ASN B 83 18.099 -5.274 -2.465 1.00 0.00 C ATOM 1511 CG ASN B 83 16.754 -5.050 -3.149 1.00 0.00 C ATOM 1512 OD1 ASN B 83 15.916 -5.948 -3.191 1.00 0.00 O ATOM 1513 ND2 ASN B 83 16.470 -3.844 -3.602 1.00 0.00 N ATOM 0 H ASN B 83 20.141 -3.864 -0.894 1.00 0.00 H new ATOM 0 HA ASN B 83 18.138 -3.373 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN B 83 18.912 -5.022 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN B 83 18.216 -6.326 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN B 83 15.548 -3.650 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.173 -3.106 -3.562 1.00 0.00 H new ATOM 1520 N ILE B 84 16.701 -3.504 0.500 1.00 0.00 N ATOM 1521 CA ILE B 84 15.455 -3.257 1.221 1.00 0.00 C ATOM 1522 C ILE B 84 14.851 -1.907 0.825 1.00 0.00 C ATOM 1523 O ILE B 84 15.408 -0.863 1.142 1.00 0.00 O ATOM 1524 CB ILE B 84 15.741 -3.297 2.733 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.879 -4.761 3.146 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.647 -2.629 3.585 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.755 -4.886 4.382 1.00 0.00 C ATOM 0 H ILE B 84 17.392 -2.771 0.663 1.00 0.00 H new ATOM 0 HA ILE B 84 14.730 -4.029 0.962 1.00 0.00 H new ATOM 0 HB ILE B 84 16.655 -2.732 2.913 1.00 0.00 H new ATOM 0 HG12 ILE B 84 14.894 -5.182 3.347 1.00 0.00 H new ATOM 0 HG13 ILE B 84 16.311 -5.337 2.327 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.916 -2.695 4.639 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.553 -1.581 3.300 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.697 -3.137 3.420 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.842 -5.936 4.662 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.745 -4.484 4.168 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.307 -4.328 5.204 1.00 0.00 H new ATOM 1539 N ARG B 85 13.648 -1.895 0.254 1.00 0.00 N ATOM 1540 CA ARG B 85 12.895 -0.645 0.233 1.00 0.00 C ATOM 1541 C ARG B 85 12.407 -0.268 1.647 1.00 0.00 C ATOM 1542 O ARG B 85 11.995 -1.124 2.439 1.00 0.00 O ATOM 1543 CB ARG B 85 11.714 -0.720 -0.736 1.00 0.00 C ATOM 1544 CG ARG B 85 12.123 -0.899 -2.202 1.00 0.00 C ATOM 1545 CD ARG B 85 10.897 -0.649 -3.093 1.00 0.00 C ATOM 1546 NE ARG B 85 10.550 0.789 -3.168 1.00 0.00 N ATOM 1547 CZ ARG B 85 9.370 1.335 -3.495 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.327 0.610 -3.849 1.00 0.00 N ATOM 1549 NH2 ARG B 85 9.219 2.644 -3.466 1.00 0.00 N ATOM 0 H ARG B 85 13.191 -2.696 -0.181 1.00 0.00 H new ATOM 0 HA ARG B 85 13.571 0.135 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG B 85 11.070 -1.550 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG B 85 11.122 0.191 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG B 85 12.923 -0.205 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.509 -1.905 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG B 85 11.095 -1.027 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG B 85 10.046 -1.208 -2.704 1.00 0.00 H new ATOM 0 HE ARG B 85 11.300 1.443 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.400 -0.407 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.447 1.066 -4.090 1.00 0.00 H new ATOM 0 HH21 ARG B 85 10.000 3.242 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG B 85 8.321 3.059 -3.715 1.00 0.00 H new ATOM 1563 N ILE B 86 12.407 1.028 1.956 1.00 0.00 N ATOM 1564 CA ILE B 86 11.705 1.621 3.096 1.00 0.00 C ATOM 1565 C ILE B 86 10.386 2.246 2.598 1.00 0.00 C ATOM 1566 O ILE B 86 10.414 2.969 1.606 1.00 0.00 O ATOM 1567 CB ILE B 86 12.625 2.664 3.760 1.00 0.00 C ATOM 1568 CG1 ILE B 86 13.835 2.031 4.468 1.00 0.00 C ATOM 1569 CG2 ILE B 86 11.854 3.508 4.772 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.469 1.178 5.691 1.00 0.00 C ATOM 0 H ILE B 86 12.913 1.719 1.401 1.00 0.00 H new ATOM 0 HA ILE B 86 11.459 0.867 3.843 1.00 0.00 H new ATOM 0 HB ILE B 86 12.994 3.291 2.949 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.376 1.410 3.754 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.515 2.823 4.781 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.526 4.236 5.226 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.042 4.030 4.267 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.443 2.861 5.547 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.377 0.768 6.133 1.00 0.00 H new ATOM 0 HD12 ILE B 86 12.955 1.797 6.426 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.815 0.362 5.383 1.00 0.00 H new ATOM 1582 N PRO B 87 9.228 1.952 3.222 1.00 0.00 N ATOM 1583 CA PRO B 87 7.967 2.615 2.911 1.00 0.00 C ATOM 1584 C PRO B 87 8.106 4.144 2.860 1.00 0.00 C ATOM 1585 O PRO B 87 8.492 4.761 3.852 1.00 0.00 O ATOM 1586 CB PRO B 87 6.978 2.143 3.981 1.00 0.00 C ATOM 1587 CG PRO B 87 7.505 0.756 4.339 1.00 0.00 C ATOM 1588 CD PRO B 87 9.020 0.922 4.229 1.00 0.00 C ATOM 0 HA PRO B 87 7.616 2.351 1.914 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.969 2.808 4.845 1.00 0.00 H new ATOM 0 HB3 PRO B 87 5.958 2.102 3.599 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.204 0.457 5.343 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.132 -0.006 3.655 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.453 1.216 5.185 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.497 -0.014 3.937 1.00 0.00 H new ATOM 1596 N SER B 88 7.801 4.727 1.699 1.00 0.00 N ATOM 1597 CA SER B 88 7.797 6.161 1.394 1.00 0.00 C ATOM 1598 C SER B 88 7.511 7.045 2.612 1.00 0.00 C ATOM 1599 O SER B 88 8.377 7.802 3.032 1.00 0.00 O ATOM 1600 CB SER B 88 6.757 6.386 0.284 1.00 0.00 C ATOM 1601 OG SER B 88 5.606 5.589 0.540 1.00 0.00 O ATOM 0 H SER B 88 7.531 4.170 0.888 1.00 0.00 H new ATOM 0 HA SER B 88 8.794 6.456 1.068 1.00 0.00 H new ATOM 0 HB2 SER B 88 6.480 7.439 0.239 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.183 6.127 -0.685 1.00 0.00 H new ATOM 0 HG SER B 88 4.815 6.165 0.592 1.00 0.00 H new ATOM 1607 N ASP B 89 6.338 6.918 3.221 1.00 0.00 N ATOM 1608 CA ASP B 89 5.921 7.641 4.417 1.00 0.00 C ATOM 1609 C ASP B 89 7.011 7.751 5.500 1.00 0.00 C ATOM 1610 O ASP B 89 7.285 8.833 6.017 1.00 0.00 O ATOM 1611 CB ASP B 89 4.700 6.901 4.981 1.00 0.00 C ATOM 1612 CG ASP B 89 3.525 6.845 4.031 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.734 6.408 2.883 1.00 0.00 O ATOM 1614 OD2 ASP B 89 2.421 7.186 4.499 1.00 0.00 O ATOM 0 H ASP B 89 5.619 6.280 2.880 1.00 0.00 H new ATOM 0 HA ASP B 89 5.696 8.669 4.133 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.992 5.884 5.242 1.00 0.00 H new ATOM 0 HB3 ASP B 89 4.386 7.389 5.904 1.00 0.00 H new ATOM 1619 N ILE B 90 7.659 6.643 5.873 1.00 0.00 N ATOM 1620 CA ILE B 90 8.724 6.728 6.878 1.00 0.00 C ATOM 1621 C ILE B 90 10.006 7.354 6.329 1.00 0.00 C ATOM 1622 O ILE B 90 10.700 8.027 7.078 1.00 0.00 O ATOM 1623 CB ILE B 90 8.935 5.427 7.672 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.154 4.172 6.830 1.00 0.00 C ATOM 1625 CG2 ILE B 90 7.737 5.296 8.627 1.00 0.00 C ATOM 1626 CD1 ILE B 90 9.829 3.086 7.683 1.00 0.00 C ATOM 0 H ILE B 90 7.475 5.708 5.510 1.00 0.00 H new ATOM 0 HA ILE B 90 8.368 7.432 7.631 1.00 0.00 H new ATOM 0 HB ILE B 90 9.877 5.502 8.216 1.00 0.00 H new ATOM 0 HG12 ILE B 90 8.200 3.808 6.448 1.00 0.00 H new ATOM 0 HG13 ILE B 90 9.775 4.407 5.965 1.00 0.00 H new ATOM 0 HG21 ILE B 90 7.839 4.385 9.216 1.00 0.00 H new ATOM 0 HG22 ILE B 90 7.707 6.158 9.294 1.00 0.00 H new ATOM 0 HG23 ILE B 90 6.814 5.253 8.049 1.00 0.00 H new ATOM 0 HD11 ILE B 90 9.983 2.192 7.079 1.00 0.00 H new ATOM 0 HD12 ILE B 90 10.791 3.451 8.043 1.00 0.00 H new ATOM 0 HD13 ILE B 90 9.192 2.843 8.534 1.00 0.00 H new ATOM 1638 N ILE B 91 10.312 7.233 5.034 1.00 0.00 N ATOM 1639 CA ILE B 91 11.355 8.080 4.441 1.00 0.00 C ATOM 1640 C ILE B 91 10.981 9.562 4.606 1.00 0.00 C ATOM 1641 O ILE B 91 11.793 10.359 5.068 1.00 0.00 O ATOM 1642 CB ILE B 91 11.568 7.751 2.942 1.00 0.00 C ATOM 1643 CG1 ILE B 91 11.798 6.253 2.703 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.718 8.574 2.355 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.207 5.903 1.267 1.00 0.00 C ATOM 0 H ILE B 91 9.868 6.578 4.391 1.00 0.00 H new ATOM 0 HA ILE B 91 12.290 7.880 4.964 1.00 0.00 H new ATOM 0 HB ILE B 91 10.648 8.024 2.426 1.00 0.00 H new ATOM 0 HG12 ILE B 91 12.572 5.902 3.385 1.00 0.00 H new ATOM 0 HG13 ILE B 91 10.885 5.712 2.951 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.845 8.323 1.302 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.491 9.636 2.450 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.638 8.350 2.895 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.350 4.826 1.182 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.424 6.221 0.578 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.138 6.413 1.019 1.00 0.00 H new ATOM 1657 N GLU B 92 9.749 9.924 4.244 1.00 0.00 N ATOM 1658 CA GLU B 92 9.189 11.268 4.360 1.00 0.00 C ATOM 1659 C GLU B 92 9.384 11.809 5.789 1.00 0.00 C ATOM 1660 O GLU B 92 10.149 12.744 6.017 1.00 0.00 O ATOM 1661 CB GLU B 92 7.716 11.214 3.893 1.00 0.00 C ATOM 1662 CG GLU B 92 7.138 12.537 3.356 1.00 0.00 C ATOM 1663 CD GLU B 92 6.569 13.471 4.410 1.00 0.00 C ATOM 1664 OE1 GLU B 92 5.460 13.198 4.910 1.00 0.00 O ATOM 1665 OE2 GLU B 92 7.221 14.476 4.754 1.00 0.00 O ATOM 0 H GLU B 92 9.087 9.258 3.845 1.00 0.00 H new ATOM 0 HA GLU B 92 9.710 11.978 3.718 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.629 10.457 3.113 1.00 0.00 H new ATOM 0 HB3 GLU B 92 7.101 10.883 4.729 1.00 0.00 H new ATOM 0 HG2 GLU B 92 7.923 13.064 2.813 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.352 12.306 2.637 1.00 0.00 H new ATOM 1672 N ASP B 93 8.778 11.159 6.785 1.00 0.00 N ATOM 1673 CA ASP B 93 8.871 11.584 8.170 1.00 0.00 C ATOM 1674 C ASP B 93 10.319 11.581 8.676 1.00 0.00 C ATOM 1675 O ASP B 93 10.767 12.554 9.274 1.00 0.00 O ATOM 1676 CB ASP B 93 7.918 10.734 9.015 1.00 0.00 C ATOM 1677 CG ASP B 93 7.796 11.323 10.400 1.00 0.00 C ATOM 1678 OD1 ASP B 93 6.950 12.225 10.556 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.581 10.910 11.279 1.00 0.00 O ATOM 0 H ASP B 93 8.210 10.323 6.646 1.00 0.00 H new ATOM 0 HA ASP B 93 8.556 12.624 8.258 1.00 0.00 H new ATOM 0 HB2 ASP B 93 6.937 10.691 8.541 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.287 9.710 9.077 1.00 0.00 H new ATOM 1684 N LEU B 94 11.096 10.548 8.366 1.00 0.00 N ATOM 1685 CA LEU B 94 12.511 10.514 8.753 1.00 0.00 C ATOM 1686 C LEU B 94 13.290 11.727 8.201 1.00 0.00 C ATOM 1687 O LEU B 94 13.978 12.426 8.942 1.00 0.00 O ATOM 1688 CB LEU B 94 13.114 9.155 8.362 1.00 0.00 C ATOM 1689 CG LEU B 94 14.406 8.731 9.077 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.612 9.017 8.188 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.603 9.326 10.470 1.00 0.00 C ATOM 0 H LEU B 94 10.777 9.727 7.852 1.00 0.00 H new ATOM 0 HA LEU B 94 12.594 10.607 9.836 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.361 8.387 8.540 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.309 9.167 7.290 1.00 0.00 H new ATOM 0 HG LEU B 94 14.307 7.659 9.248 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.524 8.713 8.703 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.518 8.459 7.257 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.657 10.084 7.969 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.542 8.966 10.890 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.629 10.413 10.401 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.778 9.023 11.115 1.00 0.00 H new ATOM 1703 N VAL B 95 13.102 12.049 6.920 1.00 0.00 N ATOM 1704 CA VAL B 95 13.544 13.297 6.286 1.00 0.00 C ATOM 1705 C VAL B 95 12.972 14.577 6.935 1.00 0.00 C ATOM 1706 O VAL B 95 13.588 15.643 6.835 1.00 0.00 O ATOM 1707 CB VAL B 95 13.260 13.224 4.770 1.00 0.00 C ATOM 1708 CG1 VAL B 95 13.321 14.589 4.080 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.269 12.293 4.086 1.00 0.00 C ATOM 0 H VAL B 95 12.621 11.427 6.270 1.00 0.00 H new ATOM 0 HA VAL B 95 14.618 13.384 6.449 1.00 0.00 H new ATOM 0 HB VAL B 95 12.244 12.841 4.672 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.112 14.469 3.017 1.00 0.00 H new ATOM 0 HG12 VAL B 95 12.579 15.254 4.522 1.00 0.00 H new ATOM 0 HG13 VAL B 95 14.315 15.018 4.209 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.058 12.250 3.017 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.279 12.673 4.242 1.00 0.00 H new ATOM 0 HG23 VAL B 95 14.188 11.293 4.512 1.00 0.00 H new ATOM 1719 N ASN B 96 11.831 14.529 7.628 1.00 0.00 N ATOM 1720 CA ASN B 96 11.412 15.635 8.498 1.00 0.00 C ATOM 1721 C ASN B 96 12.253 15.662 9.786 1.00 0.00 C ATOM 1722 O ASN B 96 12.874 16.677 10.091 1.00 0.00 O ATOM 1723 CB ASN B 96 9.913 15.605 8.834 1.00 0.00 C ATOM 1724 CG ASN B 96 8.992 15.928 7.665 1.00 0.00 C ATOM 1725 OD1 ASN B 96 8.173 16.833 7.738 1.00 0.00 O ATOM 1726 ND2 ASN B 96 9.051 15.168 6.598 1.00 0.00 N ATOM 0 H ASN B 96 11.183 13.742 7.605 1.00 0.00 H new ATOM 0 HA ASN B 96 11.586 16.552 7.935 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.660 14.616 9.216 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.720 16.316 9.638 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.411 15.330 5.821 1.00 0.00 H new ATOM 0 HD22 ASN B 96 9.737 14.415 6.545 1.00 0.00 H new ATOM 1733 N GLN B 97 12.304 14.557 10.537 1.00 0.00 N ATOM 1734 CA GLN B 97 13.012 14.501 11.819 1.00 0.00 C ATOM 1735 C GLN B 97 14.517 14.805 11.699 1.00 0.00 C ATOM 1736 O GLN B 97 15.024 15.729 12.329 1.00 0.00 O ATOM 1737 CB GLN B 97 12.796 13.150 12.531 1.00 0.00 C ATOM 1738 CG GLN B 97 11.361 12.591 12.583 1.00 0.00 C ATOM 1739 CD GLN B 97 10.285 13.579 13.011 1.00 0.00 C ATOM 1740 OE1 GLN B 97 10.536 14.571 13.679 1.00 0.00 O ATOM 1741 NE2 GLN B 97 9.045 13.314 12.645 1.00 0.00 N ATOM 0 H GLN B 97 11.857 13.679 10.274 1.00 0.00 H new ATOM 0 HA GLN B 97 12.574 15.293 12.426 1.00 0.00 H new ATOM 0 HB2 GLN B 97 13.428 12.408 12.042 1.00 0.00 H new ATOM 0 HB3 GLN B 97 13.155 13.249 13.555 1.00 0.00 H new ATOM 0 HG2 GLN B 97 11.104 12.207 11.596 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.345 11.744 13.269 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.844 12.484 12.087 1.00 0.00 H new ATOM 0 HE22 GLN B 97 8.287 13.939 12.920 1.00 0.00 H new ATOM 1750 N ARG B 98 15.235 13.997 10.915 1.00 0.00 N ATOM 1751 CA ARG B 98 16.703 13.949 10.873 1.00 0.00 C ATOM 1752 C ARG B 98 17.329 13.862 12.270 1.00 0.00 C ATOM 1753 O ARG B 98 17.912 14.815 12.785 1.00 0.00 O ATOM 1754 CB ARG B 98 17.255 15.121 10.065 1.00 0.00 C ATOM 1755 CG ARG B 98 17.209 14.787 8.575 1.00 0.00 C ATOM 1756 CD ARG B 98 17.277 16.056 7.727 1.00 0.00 C ATOM 1757 NE ARG B 98 15.935 16.656 7.625 1.00 0.00 N ATOM 1758 CZ ARG B 98 15.378 17.638 8.335 1.00 0.00 C ATOM 1759 NH1 ARG B 98 16.016 18.274 9.298 1.00 0.00 N ATOM 1760 NH2 ARG B 98 14.154 18.022 8.057 1.00 0.00 N ATOM 0 H ARG B 98 14.799 13.337 10.271 1.00 0.00 H new ATOM 0 HA ARG B 98 16.987 13.028 10.364 1.00 0.00 H new ATOM 0 HB2 ARG B 98 16.671 16.020 10.264 1.00 0.00 H new ATOM 0 HB3 ARG B 98 18.280 15.333 10.368 1.00 0.00 H new ATOM 0 HG2 ARG B 98 18.041 14.130 8.320 1.00 0.00 H new ATOM 0 HG3 ARG B 98 16.292 14.243 8.349 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.971 16.767 8.174 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.658 15.821 6.733 1.00 0.00 H new ATOM 0 HE ARG B 98 15.340 16.259 6.898 1.00 0.00 H new ATOM 0 HH11 ARG B 98 16.977 18.021 9.527 1.00 0.00 H new ATOM 0 HH12 ARG B 98 15.548 19.019 9.814 1.00 0.00 H new ATOM 0 HH21 ARG B 98 13.637 17.570 7.303 1.00 0.00 H new ATOM 0 HH22 ARG B 98 13.720 18.772 8.595 1.00 0.00 H new ATOM 1774 N LEU B 99 17.222 12.677 12.864 1.00 0.00 N ATOM 1775 CA LEU B 99 17.965 12.336 14.070 1.00 0.00 C ATOM 1776 C LEU B 99 19.476 12.389 13.765 1.00 0.00 C ATOM 1777 O LEU B 99 19.877 12.193 12.619 1.00 0.00 O ATOM 1778 CB LEU B 99 17.484 10.976 14.593 1.00 0.00 C ATOM 1779 CG LEU B 99 15.955 10.771 14.497 1.00 0.00 C ATOM 1780 CD1 LEU B 99 15.573 9.417 15.098 1.00 0.00 C ATOM 1781 CD2 LEU B 99 15.199 11.863 15.265 1.00 0.00 C ATOM 0 H LEU B 99 16.619 11.929 12.523 1.00 0.00 H new ATOM 0 HA LEU B 99 17.783 13.056 14.868 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.982 10.185 14.032 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.790 10.870 15.634 1.00 0.00 H new ATOM 0 HG LEU B 99 15.683 10.816 13.443 1.00 0.00 H new ATOM 0 HD11 LEU B 99 14.494 9.279 15.027 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.078 8.621 14.551 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.875 9.385 16.145 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.126 11.692 15.179 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.488 11.835 16.316 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.445 12.839 14.847 1.00 0.00 H new ATOM 1793 N GLN B 100 20.320 12.739 14.734 1.00 0.00 N ATOM 1794 CA GLN B 100 21.687 13.155 14.422 1.00 0.00 C ATOM 1795 C GLN B 100 22.588 11.992 13.977 1.00 0.00 C ATOM 1796 O GLN B 100 23.286 12.119 12.973 1.00 0.00 O ATOM 1797 CB GLN B 100 22.263 14.078 15.515 1.00 0.00 C ATOM 1798 CG GLN B 100 22.452 13.498 16.928 1.00 0.00 C ATOM 1799 CD GLN B 100 23.664 12.586 17.079 1.00 0.00 C ATOM 1800 OE1 GLN B 100 24.728 12.852 16.538 1.00 0.00 O ATOM 1801 NE2 GLN B 100 23.563 11.525 17.857 1.00 0.00 N ATOM 0 H GLN B 100 20.087 12.744 15.727 1.00 0.00 H new ATOM 0 HA GLN B 100 21.652 13.780 13.529 1.00 0.00 H new ATOM 0 HB2 GLN B 100 23.232 14.439 15.170 1.00 0.00 H new ATOM 0 HB3 GLN B 100 21.610 14.947 15.596 1.00 0.00 H new ATOM 0 HG2 GLN B 100 22.542 14.322 17.636 1.00 0.00 H new ATOM 0 HG3 GLN B 100 21.557 12.940 17.201 1.00 0.00 H new ATOM 0 HE21 GLN B 100 22.674 11.305 18.307 1.00 0.00 H new ATOM 0 HE22 GLN B 100 24.374 10.925 18.008 1.00 0.00 H new ATOM 1810 N SER B 101 22.544 10.854 14.672 1.00 0.00 N ATOM 1811 CA SER B 101 23.362 9.690 14.315 1.00 0.00 C ATOM 1812 C SER B 101 22.627 8.661 13.442 1.00 0.00 C ATOM 1813 O SER B 101 21.427 8.411 13.588 1.00 0.00 O ATOM 1814 CB SER B 101 23.914 9.022 15.579 1.00 0.00 C ATOM 1815 OG SER B 101 24.542 7.783 15.267 1.00 0.00 O ATOM 0 H SER B 101 21.949 10.712 15.488 1.00 0.00 H new ATOM 0 HA SER B 101 24.183 10.069 13.707 1.00 0.00 H new ATOM 0 HB2 SER B 101 24.631 9.686 16.062 1.00 0.00 H new ATOM 0 HB3 SER B 101 23.105 8.855 16.290 1.00 0.00 H new ATOM 0 HG SER B 101 25.109 7.894 14.475 1.00 0.00 H new ATOM 1821 N GLU B 102 23.401 7.966 12.607 1.00 0.00 N ATOM 1822 CA GLU B 102 23.072 6.697 11.968 1.00 0.00 C ATOM 1823 C GLU B 102 22.340 5.771 12.945 1.00 0.00 C ATOM 1824 O GLU B 102 21.362 5.112 12.611 1.00 0.00 O ATOM 1825 CB GLU B 102 24.348 5.993 11.467 1.00 0.00 C ATOM 1826 CG GLU B 102 25.420 6.952 10.934 1.00 0.00 C ATOM 1827 CD GLU B 102 26.441 7.286 12.023 1.00 0.00 C ATOM 1828 OE1 GLU B 102 26.046 7.986 12.982 1.00 0.00 O ATOM 1829 OE2 GLU B 102 27.557 6.734 11.936 1.00 0.00 O ATOM 0 H GLU B 102 24.330 8.297 12.345 1.00 0.00 H new ATOM 0 HA GLU B 102 22.422 6.913 11.120 1.00 0.00 H new ATOM 0 HB2 GLU B 102 24.772 5.407 12.283 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.078 5.291 10.678 1.00 0.00 H new ATOM 0 HG2 GLU B 102 25.926 6.500 10.081 1.00 0.00 H new ATOM 0 HG3 GLU B 102 24.950 7.868 10.577 1.00 0.00 H new ATOM 1836 N GLN B 103 22.819 5.716 14.185 1.00 0.00 N ATOM 1837 CA GLN B 103 22.242 4.878 15.219 1.00 0.00 C ATOM 1838 C GLN B 103 20.797 5.268 15.548 1.00 0.00 C ATOM 1839 O GLN B 103 19.928 4.412 15.727 1.00 0.00 O ATOM 1840 CB GLN B 103 23.152 4.935 16.455 1.00 0.00 C ATOM 1841 CG GLN B 103 22.783 3.873 17.500 1.00 0.00 C ATOM 1842 CD GLN B 103 22.759 2.468 16.916 1.00 0.00 C ATOM 1843 OE1 GLN B 103 21.816 1.708 17.105 1.00 0.00 O ATOM 1844 NE2 GLN B 103 23.782 2.091 16.173 1.00 0.00 N ATOM 0 H GLN B 103 23.625 6.258 14.498 1.00 0.00 H new ATOM 0 HA GLN B 103 22.186 3.851 14.857 1.00 0.00 H new ATOM 0 HB2 GLN B 103 24.188 4.794 16.147 1.00 0.00 H new ATOM 0 HB3 GLN B 103 23.086 5.925 16.907 1.00 0.00 H new ATOM 0 HG2 GLN B 103 23.500 3.910 18.321 1.00 0.00 H new ATOM 0 HG3 GLN B 103 21.805 4.106 17.920 1.00 0.00 H new ATOM 0 HE21 GLN B 103 24.563 2.728 16.020 1.00 0.00 H new ATOM 0 HE22 GLN B 103 23.791 1.162 15.752 1.00 0.00 H new ATOM 1853 N GLU B 104 20.528 6.562 15.620 1.00 0.00 N ATOM 1854 CA GLU B 104 19.202 7.074 15.907 1.00 0.00 C ATOM 1855 C GLU B 104 18.270 6.867 14.711 1.00 0.00 C ATOM 1856 O GLU B 104 17.182 6.306 14.868 1.00 0.00 O ATOM 1857 CB GLU B 104 19.321 8.542 16.277 1.00 0.00 C ATOM 1858 CG GLU B 104 20.180 8.747 17.537 1.00 0.00 C ATOM 1859 CD GLU B 104 20.642 10.184 17.688 1.00 0.00 C ATOM 1860 OE1 GLU B 104 20.521 10.934 16.698 1.00 0.00 O ATOM 1861 OE2 GLU B 104 21.179 10.498 18.766 1.00 0.00 O ATOM 0 H GLU B 104 21.229 7.289 15.480 1.00 0.00 H new ATOM 0 HA GLU B 104 18.765 6.530 16.744 1.00 0.00 H new ATOM 0 HB2 GLU B 104 19.760 9.092 15.445 1.00 0.00 H new ATOM 0 HB3 GLU B 104 18.327 8.956 16.444 1.00 0.00 H new ATOM 0 HG2 GLU B 104 19.606 8.457 18.417 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.049 8.090 17.493 1.00 0.00 H new ATOM 1868 N VAL B 105 18.693 7.253 13.500 1.00 0.00 N ATOM 1869 CA VAL B 105 17.844 7.037 12.336 1.00 0.00 C ATOM 1870 C VAL B 105 17.634 5.543 12.104 1.00 0.00 C ATOM 1871 O VAL B 105 16.518 5.130 11.827 1.00 0.00 O ATOM 1872 CB VAL B 105 18.306 7.777 11.073 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.390 9.291 11.298 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.652 7.284 10.561 1.00 0.00 C ATOM 0 H VAL B 105 19.589 7.702 13.310 1.00 0.00 H new ATOM 0 HA VAL B 105 16.878 7.488 12.564 1.00 0.00 H new ATOM 0 HB VAL B 105 17.548 7.561 10.320 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.721 9.777 10.380 1.00 0.00 H new ATOM 0 HG12 VAL B 105 17.408 9.672 11.577 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.101 9.501 12.097 1.00 0.00 H new ATOM 0 HG21 VAL B 105 19.928 7.843 9.667 1.00 0.00 H new ATOM 0 HG22 VAL B 105 20.410 7.432 11.330 1.00 0.00 H new ATOM 0 HG23 VAL B 105 19.583 6.223 10.319 1.00 0.00 H new ATOM 1884 N LEU B 106 18.637 4.685 12.306 1.00 0.00 N ATOM 1885 CA LEU B 106 18.378 3.249 12.190 1.00 0.00 C ATOM 1886 C LEU B 106 17.413 2.760 13.279 1.00 0.00 C ATOM 1887 O LEU B 106 16.533 1.962 12.982 1.00 0.00 O ATOM 1888 CB LEU B 106 19.656 2.414 12.017 1.00 0.00 C ATOM 1889 CG LEU B 106 20.458 2.100 13.284 1.00 0.00 C ATOM 1890 CD1 LEU B 106 19.937 0.874 14.045 1.00 0.00 C ATOM 1891 CD2 LEU B 106 21.922 1.852 12.905 1.00 0.00 C ATOM 0 H LEU B 106 19.595 4.943 12.541 1.00 0.00 H new ATOM 0 HA LEU B 106 17.850 3.084 11.251 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.383 1.470 11.546 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.312 2.938 11.322 1.00 0.00 H new ATOM 0 HG LEU B 106 20.353 2.962 13.943 1.00 0.00 H new ATOM 0 HD11 LEU B 106 20.550 0.708 14.931 1.00 0.00 H new ATOM 0 HD12 LEU B 106 18.903 1.045 14.346 1.00 0.00 H new ATOM 0 HD13 LEU B 106 19.987 -0.003 13.400 1.00 0.00 H new ATOM 0 HD21 LEU B 106 22.497 1.628 13.803 1.00 0.00 H new ATOM 0 HD22 LEU B 106 21.982 1.009 12.216 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.330 2.742 12.426 1.00 0.00 H new ATOM 1903 N ASN B 107 17.506 3.238 14.526 1.00 0.00 N ATOM 1904 CA ASN B 107 16.481 2.907 15.525 1.00 0.00 C ATOM 1905 C ASN B 107 15.069 3.288 15.039 1.00 0.00 C ATOM 1906 O ASN B 107 14.191 2.427 14.950 1.00 0.00 O ATOM 1907 CB ASN B 107 16.779 3.585 16.875 1.00 0.00 C ATOM 1908 CG ASN B 107 17.974 3.012 17.626 1.00 0.00 C ATOM 1909 OD1 ASN B 107 18.191 1.803 17.680 1.00 0.00 O ATOM 1910 ND2 ASN B 107 18.757 3.852 18.280 1.00 0.00 N ATOM 0 H ASN B 107 18.258 3.839 14.862 1.00 0.00 H new ATOM 0 HA ASN B 107 16.511 1.826 15.665 1.00 0.00 H new ATOM 0 HB2 ASN B 107 16.951 4.647 16.702 1.00 0.00 H new ATOM 0 HB3 ASN B 107 15.896 3.504 17.509 1.00 0.00 H new ATOM 0 HD21 ASN B 107 19.540 3.497 18.829 1.00 0.00 H new ATOM 0 HD22 ASN B 107 18.578 4.855 18.236 1.00 0.00 H new ATOM 1917 N TYR B 108 14.852 4.564 14.706 1.00 0.00 N ATOM 1918 CA TYR B 108 13.581 5.047 14.157 1.00 0.00 C ATOM 1919 C TYR B 108 13.129 4.202 12.958 1.00 0.00 C ATOM 1920 O TYR B 108 12.072 3.577 12.977 1.00 0.00 O ATOM 1921 CB TYR B 108 13.722 6.529 13.774 1.00 0.00 C ATOM 1922 CG TYR B 108 12.493 7.131 13.109 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.294 6.986 11.721 1.00 0.00 C ATOM 1924 CD2 TYR B 108 11.522 7.797 13.880 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.097 7.420 11.131 1.00 0.00 C ATOM 1926 CE2 TYR B 108 10.350 8.280 13.272 1.00 0.00 C ATOM 1927 CZ TYR B 108 10.138 8.092 11.899 1.00 0.00 C ATOM 1928 OH TYR B 108 8.895 8.267 11.386 1.00 0.00 O ATOM 0 H TYR B 108 15.556 5.294 14.810 1.00 0.00 H new ATOM 0 HA TYR B 108 12.809 4.949 14.920 1.00 0.00 H new ATOM 0 HB2 TYR B 108 13.951 7.103 14.672 1.00 0.00 H new ATOM 0 HB3 TYR B 108 14.573 6.638 13.101 1.00 0.00 H new ATOM 0 HD1 TYR B 108 13.065 6.540 11.110 1.00 0.00 H new ATOM 0 HD2 TYR B 108 11.677 7.937 14.940 1.00 0.00 H new ATOM 0 HE1 TYR B 108 10.915 7.235 10.083 1.00 0.00 H new ATOM 0 HE2 TYR B 108 9.610 8.798 13.865 1.00 0.00 H new ATOM 0 HH TYR B 108 8.594 9.183 11.562 1.00 0.00 H new ATOM 1938 N ILE B 109 13.941 4.153 11.907 1.00 0.00 N ATOM 1939 CA ILE B 109 13.597 3.473 10.670 1.00 0.00 C ATOM 1940 C ILE B 109 13.268 1.996 10.917 1.00 0.00 C ATOM 1941 O ILE B 109 12.255 1.502 10.444 1.00 0.00 O ATOM 1942 CB ILE B 109 14.728 3.576 9.636 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.973 5.018 9.183 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.335 2.763 8.401 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.285 5.110 8.401 1.00 0.00 C ATOM 0 H ILE B 109 14.863 4.589 11.893 1.00 0.00 H new ATOM 0 HA ILE B 109 12.713 3.972 10.274 1.00 0.00 H new ATOM 0 HB ILE B 109 15.638 3.201 10.105 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.145 5.357 8.560 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.011 5.678 10.050 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.128 2.826 7.656 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.185 1.721 8.684 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.411 3.162 7.982 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.448 6.140 8.084 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.111 4.791 9.037 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.232 4.465 7.524 1.00 0.00 H new ATOM 1957 N GLU B 110 14.125 1.255 11.623 1.00 0.00 N ATOM 1958 CA GLU B 110 13.940 -0.184 11.806 1.00 0.00 C ATOM 1959 C GLU B 110 12.655 -0.508 12.600 1.00 0.00 C ATOM 1960 O GLU B 110 11.888 -1.409 12.240 1.00 0.00 O ATOM 1961 CB GLU B 110 15.212 -0.797 12.422 1.00 0.00 C ATOM 1962 CG GLU B 110 15.545 -2.155 11.777 1.00 0.00 C ATOM 1963 CD GLU B 110 16.032 -2.027 10.341 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.985 -1.242 10.120 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.511 -2.776 9.493 1.00 0.00 O ATOM 0 H GLU B 110 14.957 1.631 12.078 1.00 0.00 H new ATOM 0 HA GLU B 110 13.791 -0.649 10.831 1.00 0.00 H new ATOM 0 HB2 GLU B 110 16.050 -0.113 12.288 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.074 -0.926 13.496 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.310 -2.656 12.371 1.00 0.00 H new ATOM 0 HG3 GLU B 110 14.659 -2.789 11.799 1.00 0.00 H new ATOM 1972 N THR B 111 12.385 0.251 13.668 1.00 0.00 N ATOM 1973 CA THR B 111 11.108 0.163 14.374 1.00 0.00 C ATOM 1974 C THR B 111 9.927 0.524 13.462 1.00 0.00 C ATOM 1975 O THR B 111 8.998 -0.271 13.333 1.00 0.00 O ATOM 1976 CB THR B 111 11.115 1.007 15.654 1.00 0.00 C ATOM 1977 OG1 THR B 111 11.414 2.356 15.399 1.00 0.00 O ATOM 1978 CG2 THR B 111 12.113 0.475 16.684 1.00 0.00 C ATOM 0 H THR B 111 13.035 0.932 14.060 1.00 0.00 H new ATOM 0 HA THR B 111 10.974 -0.877 14.672 1.00 0.00 H new ATOM 0 HB THR B 111 10.105 0.934 16.057 1.00 0.00 H new ATOM 0 HG1 THR B 111 12.375 2.452 15.234 1.00 0.00 H new ATOM 0 HG21 THR B 111 12.085 1.102 17.575 1.00 0.00 H new ATOM 0 HG22 THR B 111 11.849 -0.548 16.952 1.00 0.00 H new ATOM 0 HG23 THR B 111 13.117 0.491 16.260 1.00 0.00 H new ATOM 1986 N GLN B 112 9.974 1.655 12.756 1.00 0.00 N ATOM 1987 CA GLN B 112 8.874 2.102 11.903 1.00 0.00 C ATOM 1988 C GLN B 112 8.611 1.147 10.718 1.00 0.00 C ATOM 1989 O GLN B 112 7.475 0.845 10.364 1.00 0.00 O ATOM 1990 CB GLN B 112 9.176 3.537 11.465 1.00 0.00 C ATOM 1991 CG GLN B 112 9.094 4.535 12.632 1.00 0.00 C ATOM 1992 CD GLN B 112 7.658 4.954 12.910 1.00 0.00 C ATOM 1993 OE1 GLN B 112 6.883 4.211 13.496 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.257 6.131 12.466 1.00 0.00 N ATOM 0 H GLN B 112 10.776 2.286 12.760 1.00 0.00 H new ATOM 0 HA GLN B 112 7.941 2.086 12.466 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.172 3.578 11.025 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.472 3.833 10.687 1.00 0.00 H new ATOM 0 HG2 GLN B 112 9.522 4.085 13.528 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.693 5.416 12.401 1.00 0.00 H new ATOM 0 HE21 GLN B 112 7.912 6.742 11.979 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.292 6.429 12.610 1.00 0.00 H new ATOM 2003 N ARG B 113 9.672 0.602 10.128 1.00 0.00 N ATOM 2004 CA ARG B 113 9.647 -0.497 9.165 1.00 0.00 C ATOM 2005 C ARG B 113 8.934 -1.730 9.750 1.00 0.00 C ATOM 2006 O ARG B 113 8.224 -2.453 9.046 1.00 0.00 O ATOM 2007 CB ARG B 113 11.105 -0.800 8.782 1.00 0.00 C ATOM 2008 CG ARG B 113 11.291 -1.910 7.739 1.00 0.00 C ATOM 2009 CD ARG B 113 12.792 -2.200 7.596 1.00 0.00 C ATOM 2010 NE ARG B 113 13.035 -3.256 6.588 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.806 -4.343 6.709 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.596 -4.553 7.741 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.801 -5.265 5.769 1.00 0.00 N ATOM 0 H ARG B 113 10.619 0.931 10.317 1.00 0.00 H new ATOM 0 HA ARG B 113 9.081 -0.220 8.275 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.561 0.114 8.401 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.651 -1.077 9.684 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.759 -2.811 8.046 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.872 -1.603 6.781 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.316 -1.289 7.307 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.199 -2.510 8.558 1.00 0.00 H new ATOM 0 HE ARG B 113 12.558 -3.142 5.694 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.640 -3.870 8.497 1.00 0.00 H new ATOM 0 HH12 ARG B 113 15.164 -5.399 7.785 1.00 0.00 H new ATOM 0 HH21 ARG B 113 13.209 -5.151 4.946 1.00 0.00 H new ATOM 0 HH22 ARG B 113 14.390 -6.093 5.863 1.00 0.00 H new ATOM 2027 N THR B 114 9.133 -2.002 11.043 1.00 0.00 N ATOM 2028 CA THR B 114 8.430 -3.074 11.756 1.00 0.00 C ATOM 2029 C THR B 114 6.958 -2.743 12.060 1.00 0.00 C ATOM 2030 O THR B 114 6.104 -3.613 11.890 1.00 0.00 O ATOM 2031 CB THR B 114 9.238 -3.531 12.977 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.513 -3.946 12.517 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.594 -4.726 13.679 1.00 0.00 C ATOM 0 H THR B 114 9.789 -1.483 11.627 1.00 0.00 H new ATOM 0 HA THR B 114 8.364 -3.931 11.085 1.00 0.00 H new ATOM 0 HB THR B 114 9.290 -2.702 13.683 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.088 -3.162 12.396 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.201 -5.014 14.537 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.594 -4.454 14.017 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.527 -5.563 12.984 1.00 0.00 H new ATOM 2041 N TYR B 115 6.629 -1.496 12.411 1.00 0.00 N ATOM 2042 CA TYR B 115 5.245 -1.014 12.351 1.00 0.00 C ATOM 2043 C TYR B 115 4.628 -1.329 10.983 1.00 0.00 C ATOM 2044 O TYR B 115 3.691 -2.118 10.909 1.00 0.00 O ATOM 2045 CB TYR B 115 5.154 0.485 12.699 1.00 0.00 C ATOM 2046 CG TYR B 115 3.992 1.234 12.055 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.667 0.939 12.427 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.228 2.164 11.019 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.591 1.548 11.756 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.147 2.762 10.345 1.00 0.00 C ATOM 2051 CZ TYR B 115 1.828 2.446 10.702 1.00 0.00 C ATOM 2052 OH TYR B 115 0.787 2.989 10.020 1.00 0.00 O ATOM 0 H TYR B 115 7.301 -0.803 12.739 1.00 0.00 H new ATOM 0 HA TYR B 115 4.663 -1.543 13.106 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.074 0.586 13.781 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.085 0.967 12.402 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.476 0.243 13.230 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.241 2.417 10.743 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.577 1.324 12.053 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.334 3.468 9.549 1.00 0.00 H new ATOM 0 HH TYR B 115 0.004 2.405 10.099 1.00 0.00 H new ATOM 2062 N TRP B 116 5.188 -0.797 9.895 1.00 0.00 N ATOM 2063 CA TRP B 116 4.702 -1.075 8.546 1.00 0.00 C ATOM 2064 C TRP B 116 4.538 -2.572 8.253 1.00 0.00 C ATOM 2065 O TRP B 116 3.505 -2.993 7.735 1.00 0.00 O ATOM 2066 CB TRP B 116 5.582 -0.383 7.507 1.00 0.00 C ATOM 2067 CG TRP B 116 5.280 1.072 7.334 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.137 2.092 7.548 1.00 0.00 C ATOM 2069 CD2 TRP B 116 4.022 1.684 6.920 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.509 3.288 7.266 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.198 3.098 6.888 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.747 1.190 6.574 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.166 3.975 6.534 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.707 2.063 6.210 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.921 3.450 6.166 1.00 0.00 C ATOM 0 H TRP B 116 5.988 -0.164 9.926 1.00 0.00 H new ATOM 0 HA TRP B 116 3.697 -0.658 8.480 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.627 -0.496 7.796 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.460 -0.886 6.548 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.157 1.988 7.888 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.960 4.201 7.330 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.567 0.125 6.589 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.328 5.043 6.545 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.735 1.663 5.962 1.00 0.00 H new ATOM 0 HH2 TRP B 116 1.127 4.110 5.849 1.00 0.00 H new ATOM 2086 N LYS B 117 5.510 -3.401 8.628 1.00 0.00 N ATOM 2087 CA LYS B 117 5.389 -4.851 8.503 1.00 0.00 C ATOM 2088 C LYS B 117 4.085 -5.383 9.124 1.00 0.00 C ATOM 2089 O LYS B 117 3.318 -6.078 8.453 1.00 0.00 O ATOM 2090 CB LYS B 117 6.634 -5.490 9.135 1.00 0.00 C ATOM 2091 CG LYS B 117 6.767 -7.011 8.984 1.00 0.00 C ATOM 2092 CD LYS B 117 8.247 -7.449 9.009 1.00 0.00 C ATOM 2093 CE LYS B 117 9.061 -6.859 10.178 1.00 0.00 C ATOM 2094 NZ LYS B 117 10.518 -7.078 10.034 1.00 0.00 N ATOM 0 H LYS B 117 6.397 -3.089 9.024 1.00 0.00 H new ATOM 0 HA LYS B 117 5.335 -5.122 7.449 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.517 -5.024 8.698 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.640 -5.250 10.198 1.00 0.00 H new ATOM 0 HG2 LYS B 117 6.225 -7.507 9.789 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.307 -7.327 8.048 1.00 0.00 H new ATOM 0 HD2 LYS B 117 8.291 -8.537 9.063 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.717 -7.157 8.070 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.865 -5.789 10.247 1.00 0.00 H new ATOM 0 HE3 LYS B 117 8.722 -7.306 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 11.025 -6.521 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.732 -8.087 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 10.822 -6.780 9.085 1.00 0.00 H new ATOM 2108 N LEU B 118 3.804 -5.033 10.382 1.00 0.00 N ATOM 2109 CA LEU B 118 2.557 -5.427 11.040 1.00 0.00 C ATOM 2110 C LEU B 118 1.327 -4.741 10.420 1.00 0.00 C ATOM 2111 O LEU B 118 0.282 -5.361 10.242 1.00 0.00 O ATOM 2112 CB LEU B 118 2.655 -5.170 12.549 1.00 0.00 C ATOM 2113 CG LEU B 118 3.742 -6.016 13.235 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.854 -5.576 14.699 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.446 -7.519 13.185 1.00 0.00 C ATOM 0 H LEU B 118 4.427 -4.475 10.967 1.00 0.00 H new ATOM 0 HA LEU B 118 2.416 -6.496 10.881 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.864 -4.114 12.719 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.691 -5.383 13.011 1.00 0.00 H new ATOM 0 HG LEU B 118 4.676 -5.854 12.696 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.621 -6.167 15.199 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.124 -4.521 14.742 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.897 -5.727 15.198 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.247 -8.064 13.684 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.501 -7.721 13.689 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.380 -7.842 12.146 1.00 0.00 H new ATOM 2127 N GLU B 119 1.430 -3.475 10.033 1.00 0.00 N ATOM 2128 CA GLU B 119 0.373 -2.732 9.353 1.00 0.00 C ATOM 2129 C GLU B 119 -0.063 -3.416 8.053 1.00 0.00 C ATOM 2130 O GLU B 119 -1.244 -3.617 7.772 1.00 0.00 O ATOM 2131 CB GLU B 119 0.883 -1.308 9.100 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.269 -0.325 8.862 1.00 0.00 C ATOM 2133 CD GLU B 119 -0.945 0.119 10.144 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -1.045 -0.707 11.075 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -1.355 1.293 10.190 1.00 0.00 O ATOM 0 H GLU B 119 2.273 -2.921 10.187 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.516 -2.701 9.983 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.473 -0.976 9.954 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.546 -1.308 8.235 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.111 0.551 8.336 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -1.008 -0.791 8.211 1.00 0.00 H new ATOM 2142 N ASN B 120 0.909 -3.899 7.284 1.00 0.00 N ATOM 2143 CA ASN B 120 0.686 -4.654 6.061 1.00 0.00 C ATOM 2144 C ASN B 120 0.153 -6.082 6.317 1.00 0.00 C ATOM 2145 O ASN B 120 -0.169 -6.804 5.368 1.00 0.00 O ATOM 2146 CB ASN B 120 1.964 -4.656 5.221 1.00 0.00 C ATOM 2147 CG ASN B 120 2.232 -3.329 4.523 1.00 0.00 C ATOM 2148 OD1 ASN B 120 2.215 -3.241 3.307 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.471 -2.273 5.266 1.00 0.00 N ATOM 0 H ASN B 120 1.897 -3.771 7.502 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.104 -4.156 5.500 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.811 -4.898 5.863 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.896 -5.445 4.472 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.645 -1.369 4.827 1.00 0.00 H new ATOM 0 HD22 ASN B 120 2.483 -2.357 6.282 1.00 0.00 H new ATOM 2156 N GLN B 121 0.048 -6.485 7.586 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.424 -7.785 8.071 1.00 0.00 C ATOM 2158 C GLN B 121 -1.819 -7.695 8.732 1.00 0.00 C ATOM 2159 O GLN B 121 -2.655 -8.570 8.538 1.00 0.00 O ATOM 2160 CB GLN B 121 0.647 -8.297 9.045 1.00 0.00 C ATOM 2161 CG GLN B 121 0.565 -9.779 9.417 1.00 0.00 C ATOM 2162 CD GLN B 121 1.771 -10.143 10.275 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.808 -10.541 9.766 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.687 -9.952 11.581 1.00 0.00 N ATOM 0 H GLN B 121 0.309 -5.868 8.356 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.557 -8.479 7.241 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.627 -8.107 8.608 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.587 -7.709 9.961 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.358 -9.980 9.961 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.545 -10.393 8.516 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.815 -9.619 11.993 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.494 -10.137 12.176 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.081 -6.632 9.501 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.305 -6.402 10.280 1.00 0.00 C ATOM 2175 C LYS B 122 -4.626 -6.636 9.504 1.00 0.00 C ATOM 2176 O LYS B 122 -4.719 -6.398 8.297 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.238 -4.984 10.884 1.00 0.00 C ATOM 2178 CG LYS B 122 -2.487 -4.928 12.226 1.00 0.00 C ATOM 2179 CD LYS B 122 -2.100 -3.496 12.657 1.00 0.00 C ATOM 2180 CE LYS B 122 -3.250 -2.481 12.540 1.00 0.00 C ATOM 2181 NZ LYS B 122 -2.838 -1.110 12.918 1.00 0.00 N ATOM 0 H LYS B 122 -1.411 -5.869 9.603 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.335 -7.155 11.067 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -2.749 -4.317 10.174 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.252 -4.609 11.027 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.109 -5.376 13.000 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.584 -5.534 12.153 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -1.752 -3.519 13.690 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -1.264 -3.156 12.046 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.622 -2.475 11.516 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -4.076 -2.797 13.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.568 -0.433 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.719 -1.055 13.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -1.938 -0.877 12.453 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.652 -7.105 10.229 1.00 0.00 N ATOM 2196 CA LYS B 123 -6.941 -7.585 9.719 1.00 0.00 C ATOM 2197 C LYS B 123 -7.692 -6.635 8.767 1.00 0.00 C ATOM 2198 O LYS B 123 -8.381 -5.733 9.236 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.851 -7.950 10.913 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.084 -6.810 11.932 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.543 -6.711 12.430 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.591 -6.224 11.403 1.00 0.00 C ATOM 2203 NZ LYS B 123 -10.297 -4.868 10.887 1.00 0.00 N ATOM 0 H LYS B 123 -5.599 -7.162 11.246 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.699 -8.452 9.104 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.817 -8.275 10.527 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.414 -8.801 11.436 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -7.427 -6.960 12.788 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.800 -5.862 11.475 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.848 -7.694 12.789 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -9.566 -6.037 13.287 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -10.630 -6.925 10.569 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -11.577 -6.226 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -10.970 -4.631 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -10.386 -4.176 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -9.328 -4.843 10.509 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.668 -6.883 7.455 1.00 0.00 N ATOM 2218 CA LEU B 124 -8.622 -6.282 6.515 1.00 0.00 C ATOM 2219 C LEU B 124 -9.719 -7.304 6.175 1.00 0.00 C ATOM 2220 O LEU B 124 -9.455 -8.308 5.520 1.00 0.00 O ATOM 2221 CB LEU B 124 -7.883 -5.794 5.261 1.00 0.00 C ATOM 2222 CG LEU B 124 -8.577 -4.633 4.527 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -10.027 -4.846 4.112 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -8.609 -3.365 5.344 1.00 0.00 C ATOM 0 H LEU B 124 -6.990 -7.504 7.014 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.101 -5.415 6.971 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -6.879 -5.480 5.545 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -7.772 -6.630 4.571 1.00 0.00 H new ATOM 0 HG LEU B 124 -7.953 -4.569 3.636 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.395 -3.954 3.606 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.091 -5.699 3.437 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.634 -5.038 4.997 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -9.110 -2.580 4.778 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -9.151 -3.544 6.273 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -7.590 -3.054 5.573 1.00 0.00 H new ATOM 2236 N TYR B 125 -10.945 -7.085 6.651 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.043 -8.056 6.506 1.00 0.00 C ATOM 2238 C TYR B 125 -12.625 -8.184 5.083 1.00 0.00 C ATOM 2239 O TYR B 125 -13.462 -9.048 4.834 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.132 -7.785 7.559 1.00 0.00 C ATOM 2241 CG TYR B 125 -13.422 -6.327 7.868 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -13.678 -5.399 6.839 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.385 -5.889 9.206 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -13.803 -4.032 7.142 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.500 -4.522 9.502 1.00 0.00 C ATOM 2246 CZ TYR B 125 -13.737 -3.601 8.473 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.706 -2.283 8.771 1.00 0.00 O ATOM 0 H TYR B 125 -11.210 -6.234 7.147 1.00 0.00 H new ATOM 0 HA TYR B 125 -11.601 -9.036 6.688 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.057 -8.254 7.223 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -12.842 -8.280 8.486 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -13.778 -5.738 5.818 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.268 -6.606 10.005 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -13.950 -3.314 6.349 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.406 -4.180 10.522 1.00 0.00 H new ATOM 0 HH TYR B 125 -14.312 -1.798 8.173 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.219 -7.319 4.150 1.00 0.00 N ATOM 2258 CA ARG B 126 -12.589 -7.316 2.725 1.00 0.00 C ATOM 2259 C ARG B 126 -14.040 -6.886 2.438 1.00 0.00 C ATOM 2260 O ARG B 126 -14.290 -6.186 1.459 1.00 0.00 O ATOM 2261 CB ARG B 126 -12.274 -8.668 2.055 1.00 0.00 C ATOM 2262 CG ARG B 126 -10.815 -9.131 2.202 1.00 0.00 C ATOM 2263 CD ARG B 126 -9.851 -8.205 1.449 1.00 0.00 C ATOM 2264 NE ARG B 126 -8.475 -8.742 1.411 1.00 0.00 N ATOM 2265 CZ ARG B 126 -7.981 -9.642 0.560 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.753 -10.235 -0.335 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -6.699 -9.942 0.601 1.00 0.00 N ATOM 0 H ARG B 126 -11.584 -6.554 4.379 1.00 0.00 H new ATOM 0 HA ARG B 126 -11.963 -6.544 2.278 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -12.928 -9.430 2.480 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -12.514 -8.597 0.994 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -10.545 -9.157 3.258 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -10.715 -10.148 1.822 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -10.211 -8.060 0.430 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -9.844 -7.225 1.927 1.00 0.00 H new ATOM 0 HE ARG B 126 -7.830 -8.384 2.115 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -9.746 -10.007 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -8.356 -10.921 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -6.090 -9.487 1.281 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -6.315 -10.630 -0.047 1.00 0.00 H new