USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 TYR OH : rot 157:sc= 1.24 USER MOD Set 1.2: B 10 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.16) USER MOD Single : A 6 GLN : amide:sc= -0.505 K(o=-0.51,f=-2.8!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 9 ASN : amide:sc= 0.881 K(o=0.88,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 1.02 (180deg=0.302) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.576) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 72:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.107) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 1.09 (180deg=1.01) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 74:sc= 0.987 USER MOD Single : A 39 ASN : amide:sc= 0.587 K(o=0.59,f=-0.47) USER MOD Single : A 42 SER OG : rot 97:sc= 1.34 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0513) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 1.28 (180deg=0.338) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.272 F(o=-2.2!,f=-0.27) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.25 K(o=1.2,f=-0.26) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 1.23 (180deg=-0.437) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 67:sc= 1.29 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.02) USER MOD Single : A 73 SER OG : rot 78:sc= 1.2 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0279) USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.0749 (180deg=-0.458) USER MOD Single : A 84 THR OG1 : rot 69:sc= 1.3 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ -114:sc= 1.2 (180deg=0.702) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 83:sc= 1.23 USER MOD Single : B 25 LYS NZ :NH3+ -170:sc= -0.0265 (180deg=-0.17) USER MOD Single : B 26 LYS NZ :NH3+ -138:sc= 1.17 (180deg=0.0554) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 79:sc= 0.381 USER MOD Single : B 39 ASN : amide:sc= 1.13 K(o=1.1,f=-0.1) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ -168:sc= 0.43 (180deg=0.152!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 THR OG1 : rot -94:sc= 1.26 USER MOD Single : B 50 GLN : amide:sc= -0.172! X(o=-0.17!,f=-0.36) USER MOD Single : B 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0151) USER MOD Single : B 56 ASN : amide:sc= 0.997 K(o=1,f=-0.2) USER MOD Single : B 57 LYS NZ :NH3+ -114:sc= -0.788! (180deg=-2.21!) USER MOD Single : B 62 TYR OH : rot 130:sc= 0.896 USER MOD Single : B 63 THR OG1 : rot 80:sc= 1.11 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.19) USER MOD Single : B 71 TYR OH : rot 30:sc= -0.218 USER MOD Single : B 73 SER OG : rot 74:sc= 1.29 USER MOD Single : B 76 SER OG : rot 68:sc= 0.28 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 157:sc= -0.229 (180deg=-0.929) USER MOD Single : B 84 THR OG1 : rot 65:sc= 0.632 USER MOD Single : B 86 SER OG : rot 70:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -20.927 14.761 -4.608 1.00 1.91 N ATOM 78 CA GLN A 6 -20.486 13.399 -4.854 1.00 1.87 C ATOM 79 C GLN A 6 -19.436 13.355 -5.962 1.00 1.83 C ATOM 80 O GLN A 6 -18.504 12.555 -5.912 1.00 1.77 O ATOM 81 CB GLN A 6 -21.683 12.527 -5.232 1.00 1.89 C ATOM 82 CG GLN A 6 -21.389 11.035 -5.216 1.00 1.95 C ATOM 83 CD GLN A 6 -22.631 10.196 -5.439 1.00 1.96 C ATOM 84 OE1 GLN A 6 -22.994 9.886 -6.571 1.00 2.22 O ATOM 85 NE2 GLN A 6 -23.296 9.819 -4.353 1.00 2.13 N ATOM 0 HA GLN A 6 -20.032 13.014 -3.941 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.502 12.733 -4.543 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -22.025 12.809 -6.228 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -20.655 10.804 -5.988 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -20.940 10.767 -4.260 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -22.963 10.096 -3.429 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -24.139 9.252 -4.442 1.00 2.13 H new ATOM 94 N THR A 7 -19.578 14.229 -6.951 1.00 1.86 N ATOM 95 CA THR A 7 -18.638 14.269 -8.063 1.00 1.83 C ATOM 96 C THR A 7 -17.271 14.796 -7.622 1.00 1.79 C ATOM 97 O THR A 7 -16.233 14.211 -7.942 1.00 1.71 O ATOM 98 CB THR A 7 -19.177 15.127 -9.222 1.00 1.88 C ATOM 99 OG1 THR A 7 -20.052 16.138 -8.707 1.00 2.15 O ATOM 100 CG2 THR A 7 -19.926 14.262 -10.225 1.00 1.95 C ATOM 0 H THR A 7 -20.330 14.916 -7.006 1.00 1.86 H new ATOM 0 HA THR A 7 -18.518 13.244 -8.413 1.00 1.83 H new ATOM 0 HB THR A 7 -18.335 15.597 -9.729 1.00 1.88 H new ATOM 0 HG1 THR A 7 -20.392 16.684 -9.446 1.00 2.15 H new ATOM 0 HG21 THR A 7 -20.299 14.886 -11.037 1.00 1.95 H new ATOM 0 HG22 THR A 7 -19.252 13.507 -10.629 1.00 1.95 H new ATOM 0 HG23 THR A 7 -20.764 13.772 -9.729 1.00 1.95 H new ATOM 108 N ARG A 8 -17.274 15.891 -6.872 1.00 1.84 N ATOM 109 CA ARG A 8 -16.027 16.488 -6.396 1.00 1.82 C ATOM 110 C ARG A 8 -15.338 15.574 -5.385 1.00 1.75 C ATOM 111 O ARG A 8 -14.111 15.497 -5.340 1.00 1.69 O ATOM 112 CB ARG A 8 -16.291 17.861 -5.777 1.00 1.94 C ATOM 113 CG ARG A 8 -15.030 18.695 -5.567 1.00 2.03 C ATOM 114 CD ARG A 8 -14.241 18.858 -6.859 1.00 2.06 C ATOM 115 NE ARG A 8 -15.091 19.287 -7.971 1.00 2.06 N ATOM 116 CZ ARG A 8 -14.904 18.922 -9.241 1.00 2.08 C ATOM 117 NH1 ARG A 8 -13.897 18.125 -9.570 1.00 2.10 N ATOM 118 NH2 ARG A 8 -15.731 19.356 -10.185 1.00 2.22 N ATOM 0 H ARG A 8 -18.119 16.383 -6.580 1.00 1.84 H new ATOM 0 HA ARG A 8 -15.364 16.614 -7.252 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -16.977 18.413 -6.419 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -16.790 17.727 -4.818 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.303 19.677 -5.181 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -14.401 18.220 -4.814 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -13.446 19.588 -6.708 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -13.762 17.912 -7.113 1.00 2.06 H new ATOM 0 HE ARG A 8 -15.876 19.904 -7.762 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -13.259 17.786 -8.850 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -13.761 17.850 -10.543 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -16.509 19.968 -9.939 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -15.588 19.077 -11.156 1.00 2.22 H new ATOM 132 N ASN A 9 -16.141 14.888 -4.579 1.00 1.76 N ATOM 133 CA ASN A 9 -15.623 13.965 -3.570 1.00 1.72 C ATOM 134 C ASN A 9 -14.972 12.766 -4.246 1.00 1.61 C ATOM 135 O ASN A 9 -13.888 12.329 -3.860 1.00 1.56 O ATOM 136 CB ASN A 9 -16.756 13.510 -2.637 1.00 1.78 C ATOM 137 CG ASN A 9 -16.317 12.446 -1.642 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.459 11.250 -1.891 1.00 1.75 O ATOM 139 ND2 ASN A 9 -15.792 12.875 -0.500 1.00 1.84 N ATOM 0 H ASN A 9 -17.159 14.953 -4.604 1.00 1.76 H new ATOM 0 HA ASN A 9 -14.870 14.478 -2.972 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -17.139 14.373 -2.092 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -17.579 13.121 -3.237 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -15.491 12.204 0.207 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -15.690 13.875 -0.330 1.00 1.84 H new ATOM 146 N LYS A 10 -15.636 12.262 -5.280 1.00 1.60 N ATOM 147 CA LYS A 10 -15.148 11.119 -6.042 1.00 1.52 C ATOM 148 C LYS A 10 -13.786 11.427 -6.661 1.00 1.47 C ATOM 149 O LYS A 10 -12.861 10.616 -6.595 1.00 1.41 O ATOM 150 CB LYS A 10 -16.156 10.762 -7.137 1.00 1.53 C ATOM 151 CG LYS A 10 -15.870 9.448 -7.847 1.00 1.59 C ATOM 152 CD LYS A 10 -16.217 8.260 -6.971 1.00 1.70 C ATOM 153 CE LYS A 10 -16.191 6.966 -7.764 1.00 2.07 C ATOM 154 NZ LYS A 10 -17.101 7.026 -8.937 1.00 2.48 N ATOM 0 H LYS A 10 -16.526 12.633 -5.613 1.00 1.60 H new ATOM 0 HA LYS A 10 -15.033 10.270 -5.368 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -17.152 10.714 -6.696 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -16.172 11.564 -7.875 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -16.444 9.400 -8.772 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -14.816 9.403 -8.123 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -15.510 8.197 -6.143 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -17.206 8.403 -6.535 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -15.174 6.766 -8.101 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -16.482 6.137 -7.119 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -17.365 6.061 -9.222 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -17.958 7.559 -8.685 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -16.618 7.500 -9.727 1.00 2.48 H new ATOM 168 N GLU A 11 -13.675 12.613 -7.253 1.00 1.52 N ATOM 169 CA GLU A 11 -12.434 13.050 -7.887 1.00 1.50 C ATOM 170 C GLU A 11 -11.318 13.164 -6.855 1.00 1.45 C ATOM 171 O GLU A 11 -10.163 12.821 -7.126 1.00 1.38 O ATOM 172 CB GLU A 11 -12.650 14.403 -8.581 1.00 1.58 C ATOM 173 CG GLU A 11 -11.461 14.872 -9.410 1.00 1.63 C ATOM 174 CD GLU A 11 -11.059 16.305 -9.114 1.00 1.77 C ATOM 175 OE1 GLU A 11 -11.776 16.993 -8.357 1.00 1.96 O ATOM 176 OE2 GLU A 11 -10.015 16.755 -9.634 1.00 1.90 O ATOM 0 H GLU A 11 -14.434 13.292 -7.307 1.00 1.52 H new ATOM 0 HA GLU A 11 -12.143 12.309 -8.631 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -13.525 14.332 -9.227 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.872 15.156 -7.825 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -10.612 14.216 -9.220 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -11.705 14.780 -10.468 1.00 1.63 H new ATOM 183 N LEU A 12 -11.683 13.630 -5.667 1.00 1.51 N ATOM 184 CA LEU A 12 -10.742 13.813 -4.571 1.00 1.50 C ATOM 185 C LEU A 12 -10.045 12.507 -4.203 1.00 1.40 C ATOM 186 O LEU A 12 -8.821 12.405 -4.300 1.00 1.33 O ATOM 187 CB LEU A 12 -11.464 14.387 -3.345 1.00 1.62 C ATOM 188 CG LEU A 12 -10.629 14.453 -2.061 1.00 1.65 C ATOM 189 CD1 LEU A 12 -9.680 15.639 -2.092 1.00 1.69 C ATOM 190 CD2 LEU A 12 -11.531 14.524 -0.837 1.00 1.82 C ATOM 0 H LEU A 12 -12.642 13.892 -5.437 1.00 1.51 H new ATOM 0 HA LEU A 12 -9.978 14.516 -4.904 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.809 15.392 -3.586 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -12.351 13.783 -3.151 1.00 1.62 H new ATOM 0 HG LEU A 12 -10.034 13.542 -1.999 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -9.099 15.664 -1.170 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -9.006 15.544 -2.943 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -10.253 16.561 -2.185 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -10.919 14.570 0.064 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -12.156 15.415 -0.897 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -12.165 13.638 -0.800 1.00 1.82 H new ATOM 202 N LEU A 13 -10.825 11.509 -3.803 1.00 1.41 N ATOM 203 CA LEU A 13 -10.268 10.220 -3.399 1.00 1.35 C ATOM 204 C LEU A 13 -9.560 9.517 -4.557 1.00 1.23 C ATOM 205 O LEU A 13 -8.547 8.845 -4.352 1.00 1.18 O ATOM 206 CB LEU A 13 -11.355 9.317 -2.795 1.00 1.43 C ATOM 207 CG LEU A 13 -12.643 9.184 -3.609 1.00 1.43 C ATOM 208 CD1 LEU A 13 -12.613 7.927 -4.463 1.00 1.81 C ATOM 209 CD2 LEU A 13 -13.853 9.170 -2.684 1.00 1.76 C ATOM 0 H LEU A 13 -11.842 11.566 -3.749 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.520 10.418 -2.632 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -10.935 8.322 -2.652 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.611 9.700 -1.807 1.00 1.43 H new ATOM 0 HG LEU A 13 -12.721 10.045 -4.273 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -13.539 7.853 -5.033 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -11.767 7.973 -5.149 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -12.512 7.053 -3.820 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -14.763 9.075 -3.277 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -13.777 8.326 -1.998 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -13.886 10.099 -2.114 1.00 1.76 H new ATOM 221 N LEU A 14 -10.076 9.689 -5.769 1.00 1.21 N ATOM 222 CA LEU A 14 -9.482 9.069 -6.951 1.00 1.13 C ATOM 223 C LEU A 14 -8.035 9.520 -7.138 1.00 1.11 C ATOM 224 O LEU A 14 -7.130 8.697 -7.299 1.00 1.04 O ATOM 225 CB LEU A 14 -10.299 9.416 -8.197 1.00 1.16 C ATOM 226 CG LEU A 14 -9.766 8.845 -9.514 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.909 7.332 -9.541 1.00 1.11 C ATOM 228 CD2 LEU A 14 -10.494 9.466 -10.693 1.00 1.23 C ATOM 0 H LEU A 14 -10.904 10.252 -5.960 1.00 1.21 H new ATOM 0 HA LEU A 14 -9.490 7.989 -6.805 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -11.319 9.059 -8.053 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -10.351 10.501 -8.286 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.707 9.090 -9.590 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.524 6.947 -10.485 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -9.345 6.898 -8.715 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.961 7.064 -9.442 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -10.104 9.050 -11.622 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.560 9.249 -10.618 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -10.342 10.545 -10.687 1.00 1.23 H new ATOM 240 N LYS A 15 -7.823 10.830 -7.092 1.00 1.19 N ATOM 241 CA LYS A 15 -6.494 11.401 -7.261 1.00 1.19 C ATOM 242 C LYS A 15 -5.574 11.006 -6.114 1.00 1.14 C ATOM 243 O LYS A 15 -4.380 10.796 -6.311 1.00 1.09 O ATOM 244 CB LYS A 15 -6.589 12.921 -7.366 1.00 1.32 C ATOM 245 CG LYS A 15 -7.117 13.394 -8.711 1.00 1.56 C ATOM 246 CD LYS A 15 -7.866 14.714 -8.601 1.00 1.68 C ATOM 247 CE LYS A 15 -6.930 15.890 -8.396 1.00 1.70 C ATOM 248 NZ LYS A 15 -7.683 17.167 -8.271 1.00 1.93 N ATOM 0 H LYS A 15 -8.559 11.519 -6.938 1.00 1.19 H new ATOM 0 HA LYS A 15 -6.067 11.005 -8.183 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -7.240 13.294 -6.575 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -5.603 13.353 -7.197 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -6.286 13.507 -9.407 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -7.780 12.635 -9.127 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -8.453 14.873 -9.506 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -8.569 14.662 -7.770 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -6.332 15.729 -7.499 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -6.236 15.955 -9.234 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -7.101 17.950 -8.632 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -8.563 17.107 -8.822 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -7.912 17.338 -7.271 1.00 1.93 H new ATOM 262 N LYS A 16 -6.133 10.894 -4.917 1.00 1.17 N ATOM 263 CA LYS A 16 -5.347 10.516 -3.753 1.00 1.16 C ATOM 264 C LYS A 16 -4.869 9.071 -3.890 1.00 1.04 C ATOM 265 O LYS A 16 -3.719 8.761 -3.599 1.00 1.05 O ATOM 266 CB LYS A 16 -6.159 10.688 -2.459 1.00 1.26 C ATOM 267 CG LYS A 16 -6.617 12.119 -2.188 1.00 1.32 C ATOM 268 CD LYS A 16 -5.467 13.116 -2.228 1.00 1.30 C ATOM 269 CE LYS A 16 -4.451 12.865 -1.123 1.00 1.50 C ATOM 270 NZ LYS A 16 -3.343 13.851 -1.162 1.00 1.62 N ATOM 0 H LYS A 16 -7.122 11.059 -4.728 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.480 11.174 -3.698 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -7.035 10.042 -2.506 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.556 10.347 -1.618 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -7.366 12.403 -2.927 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -7.099 12.164 -1.211 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -4.970 13.057 -3.196 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -5.862 14.128 -2.134 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -4.948 12.914 -0.154 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -4.046 11.858 -1.223 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -2.671 13.648 -0.395 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -2.853 13.787 -2.077 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -3.727 14.810 -1.041 1.00 1.62 H new ATOM 284 N ILE A 17 -5.761 8.199 -4.352 1.00 0.96 N ATOM 285 CA ILE A 17 -5.442 6.785 -4.538 1.00 0.88 C ATOM 286 C ILE A 17 -4.407 6.602 -5.648 1.00 0.85 C ATOM 287 O ILE A 17 -3.489 5.787 -5.535 1.00 0.83 O ATOM 288 CB ILE A 17 -6.718 5.969 -4.858 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.533 5.763 -3.581 1.00 1.01 C ATOM 290 CG2 ILE A 17 -6.375 4.624 -5.490 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.995 5.464 -3.829 1.00 1.02 C ATOM 0 H ILE A 17 -6.717 8.448 -4.606 1.00 0.96 H new ATOM 0 HA ILE A 17 -5.019 6.413 -3.605 1.00 0.88 H new ATOM 0 HB ILE A 17 -7.311 6.531 -5.579 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -7.096 4.943 -3.011 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.455 6.658 -2.963 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -7.294 4.077 -5.702 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.827 4.787 -6.418 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.758 4.045 -4.802 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -9.506 5.331 -2.875 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -9.449 6.293 -4.371 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -9.085 4.552 -4.419 1.00 1.02 H new ATOM 303 N ASP A 18 -4.549 7.378 -6.715 1.00 0.90 N ATOM 304 CA ASP A 18 -3.621 7.317 -7.841 1.00 0.93 C ATOM 305 C ASP A 18 -2.218 7.725 -7.386 1.00 0.93 C ATOM 306 O ASP A 18 -1.210 7.243 -7.905 1.00 0.93 O ATOM 307 CB ASP A 18 -4.104 8.226 -8.971 1.00 1.04 C ATOM 308 CG ASP A 18 -3.226 8.144 -10.203 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.973 7.020 -10.687 1.00 1.66 O ATOM 310 OD2 ASP A 18 -2.799 9.204 -10.706 1.00 1.62 O ATOM 0 H ASP A 18 -5.300 8.060 -6.826 1.00 0.90 H new ATOM 0 HA ASP A 18 -3.582 6.294 -8.214 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -5.125 7.955 -9.239 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -4.131 9.256 -8.617 1.00 1.04 H new ATOM 315 N SER A 19 -2.166 8.614 -6.402 1.00 0.99 N ATOM 316 CA SER A 19 -0.897 9.073 -5.853 1.00 1.03 C ATOM 317 C SER A 19 -0.270 7.997 -4.969 1.00 0.96 C ATOM 318 O SER A 19 0.954 7.906 -4.868 1.00 0.96 O ATOM 319 CB SER A 19 -1.102 10.351 -5.037 1.00 1.17 C ATOM 320 OG SER A 19 -1.711 11.369 -5.817 1.00 1.28 O ATOM 0 H SER A 19 -2.989 9.032 -5.968 1.00 0.99 H new ATOM 0 HA SER A 19 -0.224 9.282 -6.685 1.00 1.03 H new ATOM 0 HB2 SER A 19 -1.724 10.135 -4.168 1.00 1.17 H new ATOM 0 HB3 SER A 19 -0.141 10.703 -4.662 1.00 1.17 H new ATOM 0 HG SER A 19 -2.650 11.140 -5.977 1.00 1.28 H new ATOM 326 N LEU A 20 -1.121 7.191 -4.337 1.00 0.92 N ATOM 327 CA LEU A 20 -0.673 6.123 -3.443 1.00 0.90 C ATOM 328 C LEU A 20 0.317 5.197 -4.144 1.00 0.84 C ATOM 329 O LEU A 20 1.443 5.004 -3.680 1.00 0.86 O ATOM 330 CB LEU A 20 -1.885 5.314 -2.957 1.00 0.92 C ATOM 331 CG LEU A 20 -2.309 5.547 -1.505 1.00 1.01 C ATOM 332 CD1 LEU A 20 -2.578 7.020 -1.252 1.00 1.37 C ATOM 333 CD2 LEU A 20 -3.543 4.718 -1.191 1.00 1.14 C ATOM 0 H LEU A 20 -2.135 7.258 -4.429 1.00 0.92 H new ATOM 0 HA LEU A 20 -0.169 6.579 -2.591 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.732 5.543 -3.603 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -1.664 4.254 -3.085 1.00 0.92 H new ATOM 0 HG LEU A 20 -1.496 5.236 -0.848 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -2.878 7.162 -0.214 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -1.673 7.594 -1.450 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -3.376 7.362 -1.910 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -3.841 4.887 -0.156 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -4.356 5.010 -1.855 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -3.318 3.661 -1.336 1.00 1.14 H new ATOM 345 N ILE A 21 -0.083 4.676 -5.292 1.00 0.80 N ATOM 346 CA ILE A 21 0.766 3.762 -6.049 1.00 0.79 C ATOM 347 C ILE A 21 2.000 4.460 -6.608 1.00 0.81 C ATOM 348 O ILE A 21 3.060 3.847 -6.725 1.00 0.83 O ATOM 349 CB ILE A 21 -0.012 3.077 -7.193 1.00 0.81 C ATOM 350 CG1 ILE A 21 -0.877 4.090 -7.950 1.00 1.06 C ATOM 351 CG2 ILE A 21 -0.871 1.948 -6.636 1.00 1.04 C ATOM 352 CD1 ILE A 21 -1.569 3.521 -9.171 1.00 1.23 C ATOM 0 H ILE A 21 -0.988 4.868 -5.722 1.00 0.80 H new ATOM 0 HA ILE A 21 1.096 2.997 -5.346 1.00 0.79 H new ATOM 0 HB ILE A 21 0.706 2.658 -7.898 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -1.631 4.488 -7.271 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -0.251 4.928 -8.258 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -1.416 1.470 -7.450 1.00 1.04 H new ATOM 0 HG22 ILE A 21 -0.233 1.213 -6.146 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -1.579 2.352 -5.913 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -2.161 4.301 -9.650 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -0.822 3.150 -9.873 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -2.223 2.702 -8.870 1.00 1.23 H new ATOM 364 N GLU A 22 1.867 5.735 -6.957 1.00 0.84 N ATOM 365 CA GLU A 22 2.988 6.499 -7.491 1.00 0.90 C ATOM 366 C GLU A 22 4.051 6.754 -6.423 1.00 0.90 C ATOM 367 O GLU A 22 5.250 6.648 -6.694 1.00 0.93 O ATOM 368 CB GLU A 22 2.510 7.825 -8.073 1.00 0.98 C ATOM 369 CG GLU A 22 1.795 7.673 -9.400 1.00 1.29 C ATOM 370 CD GLU A 22 1.766 8.958 -10.197 1.00 1.78 C ATOM 371 OE1 GLU A 22 2.308 9.976 -9.715 1.00 2.29 O ATOM 372 OE2 GLU A 22 1.201 8.959 -11.312 1.00 2.22 O ATOM 0 H GLU A 22 0.996 6.260 -6.880 1.00 0.84 H new ATOM 0 HA GLU A 22 3.438 5.903 -8.285 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.840 8.307 -7.360 1.00 0.98 H new ATOM 0 HB3 GLU A 22 3.366 8.487 -8.203 1.00 0.98 H new ATOM 0 HG2 GLU A 22 2.287 6.897 -9.987 1.00 1.29 H new ATOM 0 HG3 GLU A 22 0.773 7.338 -9.221 1.00 1.29 H new ATOM 379 N ALA A 23 3.606 7.096 -5.216 1.00 0.89 N ATOM 380 CA ALA A 23 4.515 7.376 -4.112 1.00 0.92 C ATOM 381 C ALA A 23 5.275 6.125 -3.689 1.00 0.88 C ATOM 382 O ALA A 23 6.498 6.152 -3.557 1.00 0.89 O ATOM 383 CB ALA A 23 3.756 7.959 -2.932 1.00 0.94 C ATOM 0 H ALA A 23 2.618 7.186 -4.979 1.00 0.89 H new ATOM 0 HA ALA A 23 5.243 8.110 -4.458 1.00 0.92 H new ATOM 0 HB1 ALA A 23 4.451 8.162 -2.117 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.270 8.887 -3.234 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.002 7.247 -2.597 1.00 0.94 H new ATOM 389 N ILE A 24 4.546 5.029 -3.496 1.00 0.86 N ATOM 390 CA ILE A 24 5.159 3.766 -3.089 1.00 0.85 C ATOM 391 C ILE A 24 6.155 3.292 -4.153 1.00 0.83 C ATOM 392 O ILE A 24 7.231 2.784 -3.830 1.00 0.83 O ATOM 393 CB ILE A 24 4.083 2.673 -2.815 1.00 0.87 C ATOM 394 CG1 ILE A 24 3.617 2.727 -1.354 1.00 1.12 C ATOM 395 CG2 ILE A 24 4.613 1.281 -3.137 1.00 1.03 C ATOM 396 CD1 ILE A 24 2.403 3.602 -1.120 1.00 1.05 C ATOM 0 H ILE A 24 3.534 4.989 -3.614 1.00 0.86 H new ATOM 0 HA ILE A 24 5.697 3.938 -2.157 1.00 0.85 H new ATOM 0 HB ILE A 24 3.234 2.877 -3.468 1.00 0.87 H new ATOM 0 HG12 ILE A 24 3.391 1.715 -1.019 1.00 1.12 H new ATOM 0 HG13 ILE A 24 4.438 3.091 -0.736 1.00 1.12 H new ATOM 0 HG21 ILE A 24 3.838 0.541 -2.935 1.00 1.03 H new ATOM 0 HG22 ILE A 24 4.895 1.233 -4.189 1.00 1.03 H new ATOM 0 HG23 ILE A 24 5.485 1.071 -2.518 1.00 1.03 H new ATOM 0 HD11 ILE A 24 2.140 3.584 -0.062 1.00 1.05 H new ATOM 0 HD12 ILE A 24 2.628 4.625 -1.421 1.00 1.05 H new ATOM 0 HD13 ILE A 24 1.565 3.227 -1.708 1.00 1.05 H new ATOM 408 N LYS A 25 5.802 3.495 -5.419 1.00 0.83 N ATOM 409 CA LYS A 25 6.660 3.097 -6.528 1.00 0.84 C ATOM 410 C LYS A 25 7.958 3.903 -6.525 1.00 0.86 C ATOM 411 O LYS A 25 9.011 3.402 -6.913 1.00 0.86 O ATOM 412 CB LYS A 25 5.931 3.276 -7.862 1.00 0.88 C ATOM 413 CG LYS A 25 6.738 2.839 -9.081 1.00 0.96 C ATOM 414 CD LYS A 25 6.986 1.337 -9.085 1.00 1.13 C ATOM 415 CE LYS A 25 7.934 0.925 -10.197 1.00 1.39 C ATOM 416 NZ LYS A 25 7.438 1.332 -11.536 1.00 1.61 N ATOM 0 H LYS A 25 4.926 3.934 -5.702 1.00 0.83 H new ATOM 0 HA LYS A 25 6.907 2.043 -6.403 1.00 0.84 H new ATOM 0 HB2 LYS A 25 5.001 2.708 -7.834 1.00 0.88 H new ATOM 0 HB3 LYS A 25 5.660 4.326 -7.977 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.207 3.122 -9.990 1.00 0.96 H new ATOM 0 HG3 LYS A 25 7.693 3.365 -9.093 1.00 0.96 H new ATOM 0 HD2 LYS A 25 7.400 1.034 -8.123 1.00 1.13 H new ATOM 0 HD3 LYS A 25 6.038 0.812 -9.203 1.00 1.13 H new ATOM 0 HE2 LYS A 25 8.912 1.372 -10.022 1.00 1.39 H new ATOM 0 HE3 LYS A 25 8.069 -0.156 -10.175 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 8.053 0.929 -12.271 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 6.467 0.983 -11.667 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 7.446 2.369 -11.609 1.00 1.61 H new ATOM 430 N LYS A 26 7.884 5.146 -6.078 1.00 0.87 N ATOM 431 CA LYS A 26 9.062 5.993 -6.029 1.00 0.91 C ATOM 432 C LYS A 26 9.966 5.584 -4.870 1.00 0.90 C ATOM 433 O LYS A 26 11.188 5.606 -4.994 1.00 0.91 O ATOM 434 CB LYS A 26 8.675 7.468 -5.902 1.00 0.97 C ATOM 435 CG LYS A 26 9.185 8.326 -7.048 1.00 1.07 C ATOM 436 CD LYS A 26 10.697 8.498 -6.992 1.00 1.21 C ATOM 437 CE LYS A 26 11.315 8.426 -8.380 1.00 1.35 C ATOM 438 NZ LYS A 26 12.782 8.676 -8.357 1.00 1.42 N ATOM 0 H LYS A 26 7.026 5.588 -5.746 1.00 0.87 H new ATOM 0 HA LYS A 26 9.607 5.863 -6.964 1.00 0.91 H new ATOM 0 HB2 LYS A 26 7.589 7.548 -5.853 1.00 0.97 H new ATOM 0 HB3 LYS A 26 9.066 7.859 -4.963 1.00 0.97 H new ATOM 0 HG2 LYS A 26 8.905 7.869 -7.997 1.00 1.07 H new ATOM 0 HG3 LYS A 26 8.706 9.304 -7.012 1.00 1.07 H new ATOM 0 HD2 LYS A 26 10.939 9.457 -6.534 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.130 7.724 -6.359 1.00 1.21 H new ATOM 0 HE2 LYS A 26 11.123 7.443 -8.811 1.00 1.35 H new ATOM 0 HE3 LYS A 26 10.834 9.158 -9.028 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 13.205 8.342 -9.246 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 12.959 9.695 -8.251 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.209 8.166 -7.557 1.00 1.42 H new ATOM 452 N ILE A 27 9.356 5.188 -3.756 1.00 0.88 N ATOM 453 CA ILE A 27 10.110 4.771 -2.579 1.00 0.89 C ATOM 454 C ILE A 27 11.013 3.578 -2.903 1.00 0.87 C ATOM 455 O ILE A 27 12.213 3.589 -2.612 1.00 0.90 O ATOM 456 CB ILE A 27 9.170 4.399 -1.409 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.272 5.582 -1.030 1.00 0.90 C ATOM 458 CG2 ILE A 27 9.977 3.937 -0.206 1.00 0.93 C ATOM 459 CD1 ILE A 27 7.259 5.251 0.044 1.00 1.31 C ATOM 0 H ILE A 27 8.343 5.147 -3.644 1.00 0.88 H new ATOM 0 HA ILE A 27 10.727 5.617 -2.277 1.00 0.89 H new ATOM 0 HB ILE A 27 8.530 3.579 -1.735 1.00 0.90 H new ATOM 0 HG12 ILE A 27 8.897 6.407 -0.687 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.746 5.929 -1.920 1.00 0.90 H new ATOM 0 HG21 ILE A 27 9.300 3.679 0.609 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.567 3.062 -0.478 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.643 4.738 0.115 1.00 0.93 H new ATOM 0 HD11 ILE A 27 6.658 6.134 0.262 1.00 1.31 H new ATOM 0 HD12 ILE A 27 6.610 4.447 -0.303 1.00 1.31 H new ATOM 0 HD13 ILE A 27 7.778 4.933 0.948 1.00 1.31 H new ATOM 471 N ILE A 28 10.427 2.560 -3.522 1.00 0.83 N ATOM 472 CA ILE A 28 11.169 1.359 -3.890 1.00 0.82 C ATOM 473 C ILE A 28 12.265 1.692 -4.904 1.00 0.83 C ATOM 474 O ILE A 28 13.337 1.081 -4.897 1.00 0.84 O ATOM 475 CB ILE A 28 10.233 0.243 -4.438 1.00 0.82 C ATOM 476 CG1 ILE A 28 10.987 -1.086 -4.561 1.00 0.88 C ATOM 477 CG2 ILE A 28 9.623 0.629 -5.778 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.337 -1.712 -3.230 1.00 1.05 C ATOM 0 H ILE A 28 9.440 2.542 -3.780 1.00 0.83 H new ATOM 0 HA ILE A 28 11.637 0.974 -2.984 1.00 0.82 H new ATOM 0 HB ILE A 28 9.419 0.121 -3.723 1.00 0.82 H new ATOM 0 HG12 ILE A 28 10.379 -1.787 -5.133 1.00 0.88 H new ATOM 0 HG13 ILE A 28 11.904 -0.922 -5.128 1.00 0.88 H new ATOM 0 HG21 ILE A 28 8.976 -0.175 -6.128 1.00 0.88 H new ATOM 0 HG22 ILE A 28 9.038 1.541 -5.662 1.00 0.88 H new ATOM 0 HG23 ILE A 28 10.418 0.798 -6.505 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.869 -2.649 -3.397 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.971 -1.031 -2.663 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.423 -1.909 -2.669 1.00 1.05 H new ATOM 490 N ALA A 29 11.995 2.671 -5.765 1.00 0.84 N ATOM 491 CA ALA A 29 12.952 3.085 -6.780 1.00 0.87 C ATOM 492 C ALA A 29 14.196 3.699 -6.140 1.00 0.90 C ATOM 493 O ALA A 29 15.323 3.343 -6.496 1.00 0.93 O ATOM 494 CB ALA A 29 12.301 4.066 -7.742 1.00 0.90 C ATOM 0 H ALA A 29 11.118 3.192 -5.777 1.00 0.84 H new ATOM 0 HA ALA A 29 13.266 2.204 -7.339 1.00 0.87 H new ATOM 0 HB1 ALA A 29 13.025 4.370 -8.498 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.449 3.589 -8.227 1.00 0.90 H new ATOM 0 HB3 ALA A 29 11.961 4.944 -7.192 1.00 0.90 H new ATOM 500 N GLU A 30 13.983 4.599 -5.185 1.00 0.93 N ATOM 501 CA GLU A 30 15.083 5.258 -4.491 1.00 0.99 C ATOM 502 C GLU A 30 15.931 4.232 -3.746 1.00 0.99 C ATOM 503 O GLU A 30 17.159 4.311 -3.742 1.00 1.01 O ATOM 504 CB GLU A 30 14.558 6.313 -3.507 1.00 1.06 C ATOM 505 CG GLU A 30 13.615 7.336 -4.128 1.00 1.10 C ATOM 506 CD GLU A 30 14.184 7.994 -5.369 1.00 1.18 C ATOM 507 OE1 GLU A 30 14.018 7.431 -6.471 1.00 1.25 O ATOM 508 OE2 GLU A 30 14.791 9.078 -5.251 1.00 1.46 O ATOM 0 H GLU A 30 13.056 4.889 -4.874 1.00 0.93 H new ATOM 0 HA GLU A 30 15.700 5.758 -5.237 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.040 5.807 -2.692 1.00 1.06 H new ATOM 0 HB3 GLU A 30 15.407 6.838 -3.068 1.00 1.06 H new ATOM 0 HG2 GLU A 30 12.675 6.847 -4.382 1.00 1.10 H new ATOM 0 HG3 GLU A 30 13.385 8.104 -3.390 1.00 1.10 H new ATOM 515 N PHE A 31 15.266 3.261 -3.131 1.00 0.97 N ATOM 516 CA PHE A 31 15.952 2.212 -2.382 1.00 1.00 C ATOM 517 C PHE A 31 16.938 1.450 -3.268 1.00 0.97 C ATOM 518 O PHE A 31 17.990 0.995 -2.807 1.00 1.00 O ATOM 519 CB PHE A 31 14.936 1.241 -1.779 1.00 1.02 C ATOM 520 CG PHE A 31 14.647 1.500 -0.323 1.00 1.10 C ATOM 521 CD1 PHE A 31 13.935 2.624 0.074 1.00 1.42 C ATOM 522 CD2 PHE A 31 15.092 0.618 0.653 1.00 1.79 C ATOM 523 CE1 PHE A 31 13.674 2.862 1.413 1.00 1.58 C ATOM 524 CE2 PHE A 31 14.833 0.852 1.991 1.00 1.98 C ATOM 525 CZ PHE A 31 14.124 1.975 2.372 1.00 1.54 C ATOM 0 H PHE A 31 14.249 3.177 -3.136 1.00 0.97 H new ATOM 0 HA PHE A 31 16.515 2.689 -1.579 1.00 1.00 H new ATOM 0 HB2 PHE A 31 14.005 1.305 -2.343 1.00 1.02 H new ATOM 0 HB3 PHE A 31 15.308 0.223 -1.892 1.00 1.02 H new ATOM 0 HD1 PHE A 31 13.580 3.321 -0.671 1.00 1.42 H new ATOM 0 HD2 PHE A 31 15.647 -0.262 0.363 1.00 1.79 H new ATOM 0 HE1 PHE A 31 13.119 3.740 1.707 1.00 1.58 H new ATOM 0 HE2 PHE A 31 15.185 0.157 2.739 1.00 1.98 H new ATOM 0 HZ PHE A 31 13.922 2.159 3.417 1.00 1.54 H new ATOM 535 N ASP A 32 16.588 1.303 -4.538 1.00 0.93 N ATOM 536 CA ASP A 32 17.448 0.615 -5.498 1.00 0.92 C ATOM 537 C ASP A 32 18.635 1.499 -5.861 1.00 0.92 C ATOM 538 O ASP A 32 19.771 1.033 -5.939 1.00 0.93 O ATOM 539 CB ASP A 32 16.654 0.248 -6.754 1.00 0.94 C ATOM 540 CG ASP A 32 17.530 0.028 -7.975 1.00 1.15 C ATOM 541 OD1 ASP A 32 18.174 -1.037 -8.077 1.00 1.54 O ATOM 542 OD2 ASP A 32 17.561 0.921 -8.852 1.00 1.45 O ATOM 0 H ASP A 32 15.713 1.651 -4.931 1.00 0.93 H new ATOM 0 HA ASP A 32 17.820 -0.303 -5.043 1.00 0.92 H new ATOM 0 HB2 ASP A 32 16.079 -0.657 -6.560 1.00 0.94 H new ATOM 0 HB3 ASP A 32 15.938 1.041 -6.967 1.00 0.94 H new ATOM 547 N VAL A 33 18.357 2.784 -6.056 1.00 0.93 N ATOM 548 CA VAL A 33 19.384 3.756 -6.411 1.00 0.95 C ATOM 549 C VAL A 33 20.440 3.879 -5.307 1.00 0.96 C ATOM 550 O VAL A 33 21.639 3.860 -5.584 1.00 0.97 O ATOM 551 CB VAL A 33 18.754 5.140 -6.678 1.00 0.99 C ATOM 552 CG1 VAL A 33 19.811 6.174 -7.028 1.00 1.06 C ATOM 553 CG2 VAL A 33 17.716 5.048 -7.784 1.00 0.98 C ATOM 0 H VAL A 33 17.420 3.179 -5.973 1.00 0.93 H new ATOM 0 HA VAL A 33 19.870 3.400 -7.319 1.00 0.95 H new ATOM 0 HB VAL A 33 18.262 5.463 -5.760 1.00 0.99 H new ATOM 0 HG11 VAL A 33 19.332 7.136 -7.210 1.00 1.06 H new ATOM 0 HG12 VAL A 33 20.515 6.269 -6.201 1.00 1.06 H new ATOM 0 HG13 VAL A 33 20.345 5.859 -7.925 1.00 1.06 H new ATOM 0 HG21 VAL A 33 17.282 6.033 -7.959 1.00 0.98 H new ATOM 0 HG22 VAL A 33 18.190 4.693 -8.699 1.00 0.98 H new ATOM 0 HG23 VAL A 33 16.930 4.353 -7.489 1.00 0.98 H new ATOM 563 N VAL A 34 19.987 3.990 -4.056 1.00 0.98 N ATOM 564 CA VAL A 34 20.896 4.119 -2.913 1.00 1.02 C ATOM 565 C VAL A 34 21.806 2.898 -2.801 1.00 1.02 C ATOM 566 O VAL A 34 22.999 3.020 -2.518 1.00 1.04 O ATOM 567 CB VAL A 34 20.119 4.307 -1.589 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.078 4.484 -0.420 1.00 1.14 C ATOM 569 CG2 VAL A 34 19.174 5.496 -1.687 1.00 1.08 C ATOM 0 H VAL A 34 18.998 3.993 -3.808 1.00 0.98 H new ATOM 0 HA VAL A 34 21.505 5.006 -3.086 1.00 1.02 H new ATOM 0 HB VAL A 34 19.527 3.409 -1.412 1.00 1.07 H new ATOM 0 HG11 VAL A 34 20.509 4.615 0.501 1.00 1.14 H new ATOM 0 HG12 VAL A 34 21.712 3.602 -0.333 1.00 1.14 H new ATOM 0 HG13 VAL A 34 21.700 5.363 -0.590 1.00 1.14 H new ATOM 0 HG21 VAL A 34 18.636 5.612 -0.746 1.00 1.08 H new ATOM 0 HG22 VAL A 34 19.747 6.400 -1.891 1.00 1.08 H new ATOM 0 HG23 VAL A 34 18.461 5.328 -2.494 1.00 1.08 H new ATOM 579 N LYS A 35 21.232 1.730 -3.053 1.00 1.00 N ATOM 580 CA LYS A 35 21.961 0.471 -2.992 1.00 1.02 C ATOM 581 C LYS A 35 23.127 0.462 -3.977 1.00 1.01 C ATOM 582 O LYS A 35 24.248 0.083 -3.629 1.00 1.04 O ATOM 583 CB LYS A 35 21.008 -0.687 -3.291 1.00 1.02 C ATOM 584 CG LYS A 35 21.646 -2.063 -3.178 1.00 1.06 C ATOM 585 CD LYS A 35 20.640 -3.156 -3.502 1.00 1.23 C ATOM 586 CE LYS A 35 21.271 -4.537 -3.477 1.00 1.45 C ATOM 587 NZ LYS A 35 20.319 -5.586 -3.927 1.00 1.92 N ATOM 0 H LYS A 35 20.249 1.628 -3.305 1.00 1.00 H new ATOM 0 HA LYS A 35 22.370 0.356 -1.988 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.162 -0.633 -2.605 1.00 1.02 H new ATOM 0 HB3 LYS A 35 20.610 -0.565 -4.298 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.495 -2.131 -3.858 1.00 1.06 H new ATOM 0 HG3 LYS A 35 22.033 -2.207 -2.169 1.00 1.06 H new ATOM 0 HD2 LYS A 35 19.821 -3.119 -2.784 1.00 1.23 H new ATOM 0 HD3 LYS A 35 20.210 -2.972 -4.486 1.00 1.23 H new ATOM 0 HE2 LYS A 35 22.152 -4.546 -4.119 1.00 1.45 H new ATOM 0 HE3 LYS A 35 21.611 -4.763 -2.466 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 20.786 -6.515 -3.896 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 19.490 -5.594 -3.300 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 20.014 -5.384 -4.901 1.00 1.92 H new ATOM 601 N GLU A 36 22.859 0.886 -5.203 1.00 0.99 N ATOM 602 CA GLU A 36 23.883 0.922 -6.236 1.00 1.00 C ATOM 603 C GLU A 36 24.879 2.056 -5.993 1.00 0.99 C ATOM 604 O GLU A 36 26.076 1.913 -6.259 1.00 1.01 O ATOM 605 CB GLU A 36 23.233 1.088 -7.608 1.00 1.03 C ATOM 606 CG GLU A 36 24.041 0.483 -8.739 1.00 1.31 C ATOM 607 CD GLU A 36 24.128 -1.026 -8.629 1.00 1.41 C ATOM 608 OE1 GLU A 36 23.223 -1.716 -9.148 1.00 1.71 O ATOM 609 OE2 GLU A 36 25.103 -1.529 -8.033 1.00 1.44 O ATOM 0 H GLU A 36 21.941 1.210 -5.507 1.00 0.99 H new ATOM 0 HA GLU A 36 24.429 -0.021 -6.202 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.245 0.627 -7.591 1.00 1.03 H new ATOM 0 HB3 GLU A 36 23.086 2.150 -7.805 1.00 1.03 H new ATOM 0 HG2 GLU A 36 23.587 0.752 -9.693 1.00 1.31 H new ATOM 0 HG3 GLU A 36 25.046 0.906 -8.734 1.00 1.31 H new ATOM 616 N SER A 37 24.388 3.170 -5.485 1.00 0.00 N ATOM 617 CA SER A 37 25.199 4.351 -5.202 1.00 0.00 C ATOM 618 C SER A 37 26.308 4.024 -4.229 1.00 0.00 C ATOM 619 O SER A 37 27.482 4.263 -4.502 1.00 0.00 O ATOM 620 CB SER A 37 24.317 5.517 -4.690 1.00 0.00 C ATOM 621 OG SER A 37 23.416 6.012 -5.687 1.00 0.00 O ATOM 0 H SER A 37 23.402 3.287 -5.252 1.00 0.00 H new ATOM 0 HA SER A 37 25.665 4.676 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.745 5.181 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 24.959 6.330 -4.351 1.00 0.00 H new ATOM 0 HG SER A 37 22.683 5.373 -5.812 1.00 0.00 H new ATOM 627 N VAL A 38 25.935 3.515 -3.061 1.00 1.03 N ATOM 628 CA VAL A 38 26.908 3.188 -2.027 1.00 1.06 C ATOM 629 C VAL A 38 27.883 2.105 -2.486 1.00 1.07 C ATOM 630 O VAL A 38 29.026 2.069 -2.036 1.00 1.09 O ATOM 631 CB VAL A 38 26.239 2.747 -0.706 1.00 1.10 C ATOM 632 CG1 VAL A 38 25.370 3.864 -0.150 1.00 1.12 C ATOM 633 CG2 VAL A 38 25.430 1.465 -0.895 1.00 1.10 C ATOM 0 H VAL A 38 24.967 3.320 -2.807 1.00 1.03 H new ATOM 0 HA VAL A 38 27.461 4.109 -1.842 1.00 1.06 H new ATOM 0 HB VAL A 38 27.027 2.534 0.017 1.00 1.10 H new ATOM 0 HG11 VAL A 38 24.907 3.536 0.780 1.00 1.12 H new ATOM 0 HG12 VAL A 38 25.986 4.743 0.041 1.00 1.12 H new ATOM 0 HG13 VAL A 38 24.594 4.115 -0.873 1.00 1.12 H new ATOM 0 HG21 VAL A 38 24.972 1.181 0.052 1.00 1.10 H new ATOM 0 HG22 VAL A 38 24.651 1.633 -1.639 1.00 1.10 H new ATOM 0 HG23 VAL A 38 26.089 0.665 -1.234 1.00 1.10 H new ATOM 643 N ASN A 39 27.438 1.248 -3.389 1.00 1.05 N ATOM 644 CA ASN A 39 28.268 0.159 -3.896 1.00 1.08 C ATOM 645 C ASN A 39 29.473 0.699 -4.676 1.00 1.07 C ATOM 646 O ASN A 39 30.634 0.405 -4.349 1.00 1.10 O ATOM 647 CB ASN A 39 27.399 -0.741 -4.782 1.00 1.10 C ATOM 648 CG ASN A 39 28.173 -1.794 -5.543 1.00 1.41 C ATOM 649 OD1 ASN A 39 29.221 -2.264 -5.098 1.00 1.68 O ATOM 650 ND2 ASN A 39 27.654 -2.180 -6.701 1.00 1.72 N ATOM 0 H ASN A 39 26.501 1.283 -3.791 1.00 1.05 H new ATOM 0 HA ASN A 39 28.663 -0.418 -3.060 1.00 1.08 H new ATOM 0 HB2 ASN A 39 26.653 -1.234 -4.159 1.00 1.10 H new ATOM 0 HB3 ASN A 39 26.858 -0.118 -5.494 1.00 1.10 H new ATOM 0 HD21 ASN A 39 28.125 -2.892 -7.259 1.00 1.72 H new ATOM 0 HD22 ASN A 39 26.784 -1.765 -7.033 1.00 1.72 H new ATOM 657 N GLU A 40 29.194 1.536 -5.668 1.00 1.06 N ATOM 658 CA GLU A 40 30.249 2.122 -6.499 1.00 1.08 C ATOM 659 C GLU A 40 31.041 3.173 -5.730 1.00 1.06 C ATOM 660 O GLU A 40 32.240 3.353 -5.951 1.00 1.09 O ATOM 661 CB GLU A 40 29.641 2.743 -7.753 1.00 1.11 C ATOM 662 CG GLU A 40 28.941 1.727 -8.641 1.00 1.33 C ATOM 663 CD GLU A 40 29.910 0.825 -9.374 1.00 1.77 C ATOM 664 OE1 GLU A 40 30.272 -0.241 -8.833 1.00 2.31 O ATOM 665 OE2 GLU A 40 30.310 1.176 -10.503 1.00 2.13 O ATOM 0 H GLU A 40 28.249 1.826 -5.920 1.00 1.06 H new ATOM 0 HA GLU A 40 30.935 1.324 -6.785 1.00 1.08 H new ATOM 0 HB2 GLU A 40 28.928 3.514 -7.461 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.427 3.236 -8.325 1.00 1.11 H new ATOM 0 HG2 GLU A 40 28.273 1.117 -8.032 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.320 2.252 -9.367 1.00 1.33 H new ATOM 672 N LEU A 41 30.360 3.860 -4.823 1.00 1.04 N ATOM 673 CA LEU A 41 30.985 4.902 -4.013 1.00 1.05 C ATOM 674 C LEU A 41 32.032 4.310 -3.087 1.00 1.08 C ATOM 675 O LEU A 41 33.083 4.906 -2.868 1.00 1.12 O ATOM 676 CB LEU A 41 29.923 5.646 -3.196 1.00 1.04 C ATOM 677 CG LEU A 41 30.353 7.003 -2.629 1.00 1.04 C ATOM 678 CD1 LEU A 41 30.890 7.904 -3.733 1.00 1.19 C ATOM 679 CD2 LEU A 41 29.178 7.668 -1.924 1.00 1.07 C ATOM 0 H LEU A 41 29.369 3.715 -4.628 1.00 1.04 H new ATOM 0 HA LEU A 41 31.477 5.607 -4.684 1.00 1.05 H new ATOM 0 HB2 LEU A 41 29.046 5.797 -3.826 1.00 1.04 H new ATOM 0 HB3 LEU A 41 29.615 5.008 -2.368 1.00 1.04 H new ATOM 0 HG LEU A 41 31.153 6.840 -1.906 1.00 1.04 H new ATOM 0 HD11 LEU A 41 31.189 8.862 -3.308 1.00 1.19 H new ATOM 0 HD12 LEU A 41 31.752 7.430 -4.202 1.00 1.19 H new ATOM 0 HD13 LEU A 41 30.113 8.066 -4.481 1.00 1.19 H new ATOM 0 HD21 LEU A 41 29.492 8.632 -1.524 1.00 1.07 H new ATOM 0 HD22 LEU A 41 28.365 7.817 -2.634 1.00 1.07 H new ATOM 0 HD23 LEU A 41 28.835 7.031 -1.109 1.00 1.07 H new ATOM 691 N SER A 42 31.743 3.127 -2.556 1.00 1.07 N ATOM 692 CA SER A 42 32.665 2.449 -1.658 1.00 1.12 C ATOM 693 C SER A 42 33.961 2.111 -2.388 1.00 1.16 C ATOM 694 O SER A 42 35.048 2.202 -1.814 1.00 1.20 O ATOM 695 CB SER A 42 32.031 1.180 -1.084 1.00 1.13 C ATOM 696 OG SER A 42 30.882 1.482 -0.306 1.00 1.47 O ATOM 0 H SER A 42 30.876 2.619 -2.733 1.00 1.07 H new ATOM 0 HA SER A 42 32.893 3.121 -0.830 1.00 1.12 H new ATOM 0 HB2 SER A 42 31.755 0.509 -1.898 1.00 1.13 H new ATOM 0 HB3 SER A 42 32.761 0.653 -0.469 1.00 1.13 H new ATOM 0 HG SER A 42 30.077 1.371 -0.854 1.00 1.47 H new ATOM 702 N GLU A 43 33.840 1.740 -3.661 1.00 1.16 N ATOM 703 CA GLU A 43 35.010 1.403 -4.471 1.00 1.22 C ATOM 704 C GLU A 43 35.938 2.609 -4.623 1.00 1.21 C ATOM 705 O GLU A 43 37.159 2.468 -4.628 1.00 1.25 O ATOM 706 CB GLU A 43 34.582 0.891 -5.850 1.00 1.27 C ATOM 707 CG GLU A 43 35.747 0.457 -6.736 1.00 1.60 C ATOM 708 CD GLU A 43 36.671 -0.545 -6.067 1.00 1.71 C ATOM 709 OE1 GLU A 43 36.251 -1.202 -5.092 1.00 1.94 O ATOM 710 OE2 GLU A 43 37.826 -0.689 -6.521 1.00 1.98 O ATOM 0 H GLU A 43 32.949 1.665 -4.152 1.00 1.16 H new ATOM 0 HA GLU A 43 35.556 0.612 -3.956 1.00 1.22 H new ATOM 0 HB2 GLU A 43 33.904 0.048 -5.720 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.022 1.675 -6.360 1.00 1.27 H new ATOM 0 HG2 GLU A 43 35.353 0.021 -7.654 1.00 1.60 H new ATOM 0 HG3 GLU A 43 36.323 1.337 -7.023 1.00 1.60 H new ATOM 717 N LYS A 44 35.358 3.795 -4.754 1.00 1.18 N ATOM 718 CA LYS A 44 36.151 5.009 -4.894 1.00 1.20 C ATOM 719 C LYS A 44 36.750 5.417 -3.554 1.00 1.20 C ATOM 720 O LYS A 44 37.863 5.941 -3.488 1.00 1.25 O ATOM 721 CB LYS A 44 35.307 6.145 -5.469 1.00 1.22 C ATOM 722 CG LYS A 44 35.230 6.127 -6.986 1.00 1.25 C ATOM 723 CD LYS A 44 36.579 6.449 -7.612 1.00 1.46 C ATOM 724 CE LYS A 44 36.795 5.682 -8.910 1.00 1.75 C ATOM 725 NZ LYS A 44 35.722 5.938 -9.905 1.00 2.12 N ATOM 0 H LYS A 44 34.349 3.942 -4.766 1.00 1.18 H new ATOM 0 HA LYS A 44 36.966 4.803 -5.588 1.00 1.20 H new ATOM 0 HB2 LYS A 44 34.299 6.082 -5.060 1.00 1.22 H new ATOM 0 HB3 LYS A 44 35.724 7.098 -5.144 1.00 1.22 H new ATOM 0 HG2 LYS A 44 34.895 5.146 -7.324 1.00 1.25 H new ATOM 0 HG3 LYS A 44 34.488 6.851 -7.323 1.00 1.25 H new ATOM 0 HD2 LYS A 44 36.644 7.520 -7.807 1.00 1.46 H new ATOM 0 HD3 LYS A 44 37.375 6.205 -6.908 1.00 1.46 H new ATOM 0 HE2 LYS A 44 37.758 5.962 -9.338 1.00 1.75 H new ATOM 0 HE3 LYS A 44 36.840 4.614 -8.695 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 35.965 5.476 -10.804 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 34.822 5.555 -9.551 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 35.626 6.962 -10.057 1.00 2.12 H new ATOM 739 N ALA A 45 36.013 5.152 -2.485 1.00 1.17 N ATOM 740 CA ALA A 45 36.462 5.476 -1.136 1.00 1.18 C ATOM 741 C ALA A 45 37.554 4.510 -0.683 1.00 1.18 C ATOM 742 O ALA A 45 38.193 4.705 0.348 1.00 1.19 O ATOM 743 CB ALA A 45 35.290 5.432 -0.170 1.00 1.21 C ATOM 0 H ALA A 45 35.095 4.710 -2.525 1.00 1.17 H new ATOM 0 HA ALA A 45 36.877 6.484 -1.144 1.00 1.18 H new ATOM 0 HB1 ALA A 45 35.637 5.676 0.834 1.00 1.21 H new ATOM 0 HB2 ALA A 45 34.536 6.156 -0.479 1.00 1.21 H new ATOM 0 HB3 ALA A 45 34.855 4.433 -0.171 1.00 1.21 H new ATOM 749 N LYS A 46 37.751 3.465 -1.470 1.00 1.21 N ATOM 750 CA LYS A 46 38.754 2.448 -1.181 1.00 1.24 C ATOM 751 C LYS A 46 40.167 2.939 -1.514 1.00 1.24 C ATOM 752 O LYS A 46 41.157 2.368 -1.053 1.00 1.27 O ATOM 753 CB LYS A 46 38.449 1.183 -1.983 1.00 1.32 C ATOM 754 CG LYS A 46 38.538 -0.094 -1.167 1.00 1.61 C ATOM 755 CD LYS A 46 38.020 -1.292 -1.954 1.00 2.02 C ATOM 756 CE LYS A 46 38.993 -1.705 -3.052 1.00 2.38 C ATOM 757 NZ LYS A 46 38.340 -2.534 -4.105 1.00 2.75 N ATOM 0 H LYS A 46 37.222 3.296 -2.326 1.00 1.21 H new ATOM 0 HA LYS A 46 38.715 2.232 -0.113 1.00 1.24 H new ATOM 0 HB2 LYS A 46 37.448 1.264 -2.406 1.00 1.32 H new ATOM 0 HB3 LYS A 46 39.144 1.118 -2.820 1.00 1.32 H new ATOM 0 HG2 LYS A 46 39.573 -0.269 -0.874 1.00 1.61 H new ATOM 0 HG3 LYS A 46 37.961 0.018 -0.249 1.00 1.61 H new ATOM 0 HD2 LYS A 46 37.858 -2.130 -1.277 1.00 2.02 H new ATOM 0 HD3 LYS A 46 37.054 -1.048 -2.396 1.00 2.02 H new ATOM 0 HE2 LYS A 46 39.421 -0.813 -3.509 1.00 2.38 H new ATOM 0 HE3 LYS A 46 39.818 -2.265 -2.611 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 38.847 -2.415 -5.005 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 38.365 -3.535 -3.824 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 37.352 -2.232 -4.222 1.00 2.75 H new ATOM 771 N THR A 47 40.259 3.996 -2.314 1.00 1.23 N ATOM 772 CA THR A 47 41.554 4.539 -2.710 1.00 1.26 C ATOM 773 C THR A 47 41.919 5.796 -1.911 1.00 1.21 C ATOM 774 O THR A 47 42.996 6.366 -2.094 1.00 1.30 O ATOM 775 CB THR A 47 41.570 4.870 -4.217 1.00 1.39 C ATOM 776 OG1 THR A 47 40.716 3.959 -4.929 1.00 1.54 O ATOM 777 CG2 THR A 47 42.982 4.772 -4.783 1.00 1.62 C ATOM 0 H THR A 47 39.456 4.492 -2.700 1.00 1.23 H new ATOM 0 HA THR A 47 42.296 3.770 -2.496 1.00 1.26 H new ATOM 0 HB THR A 47 41.210 5.891 -4.340 1.00 1.39 H new ATOM 0 HG1 THR A 47 40.730 4.176 -5.884 1.00 1.54 H new ATOM 0 HG21 THR A 47 42.965 5.010 -5.847 1.00 1.62 H new ATOM 0 HG22 THR A 47 43.632 5.476 -4.264 1.00 1.62 H new ATOM 0 HG23 THR A 47 43.360 3.759 -4.644 1.00 1.62 H new ATOM 785 N ASP A 48 41.038 6.220 -1.015 1.00 1.15 N ATOM 786 CA ASP A 48 41.298 7.413 -0.214 1.00 1.15 C ATOM 787 C ASP A 48 40.900 7.178 1.240 1.00 1.09 C ATOM 788 O ASP A 48 39.729 6.943 1.531 1.00 1.06 O ATOM 789 CB ASP A 48 40.537 8.617 -0.783 1.00 1.24 C ATOM 790 CG ASP A 48 40.930 9.927 -0.125 1.00 1.32 C ATOM 791 OD1 ASP A 48 40.333 10.284 0.913 1.00 1.41 O ATOM 792 OD2 ASP A 48 41.834 10.611 -0.647 1.00 1.50 O ATOM 0 H ASP A 48 40.146 5.763 -0.824 1.00 1.15 H new ATOM 0 HA ASP A 48 42.366 7.626 -0.252 1.00 1.15 H new ATOM 0 HB2 ASP A 48 40.722 8.684 -1.855 1.00 1.24 H new ATOM 0 HB3 ASP A 48 39.466 8.458 -0.654 1.00 1.24 H new ATOM 797 N PRO A 49 41.875 7.240 2.171 1.00 1.12 N ATOM 798 CA PRO A 49 41.632 7.023 3.605 1.00 1.13 C ATOM 799 C PRO A 49 40.564 7.959 4.176 1.00 1.17 C ATOM 800 O PRO A 49 39.771 7.559 5.030 1.00 1.18 O ATOM 801 CB PRO A 49 42.995 7.300 4.260 1.00 1.22 C ATOM 802 CG PRO A 49 43.806 7.994 3.219 1.00 1.25 C ATOM 803 CD PRO A 49 43.292 7.517 1.894 1.00 1.19 C ATOM 0 HA PRO A 49 41.253 6.018 3.793 1.00 1.13 H new ATOM 0 HB2 PRO A 49 42.884 7.921 5.149 1.00 1.22 H new ATOM 0 HB3 PRO A 49 43.474 6.373 4.576 1.00 1.22 H new ATOM 0 HG2 PRO A 49 43.707 9.076 3.307 1.00 1.25 H new ATOM 0 HG3 PRO A 49 44.865 7.760 3.332 1.00 1.25 H new ATOM 0 HD2 PRO A 49 43.412 8.273 1.118 1.00 1.19 H new ATOM 0 HD3 PRO A 49 43.819 6.626 1.554 1.00 1.19 H new ATOM 811 N GLN A 50 40.533 9.195 3.694 1.00 1.23 N ATOM 812 CA GLN A 50 39.558 10.175 4.167 1.00 1.30 C ATOM 813 C GLN A 50 38.173 9.844 3.636 1.00 1.21 C ATOM 814 O GLN A 50 37.185 9.921 4.365 1.00 1.22 O ATOM 815 CB GLN A 50 39.954 11.592 3.740 1.00 1.43 C ATOM 816 CG GLN A 50 41.168 12.144 4.473 1.00 1.59 C ATOM 817 CD GLN A 50 42.488 11.600 3.955 1.00 1.77 C ATOM 818 OE1 GLN A 50 42.556 11.309 2.662 1.00 2.00 O flip ATOM 819 NE2 GLN A 50 43.445 11.442 4.713 1.00 1.96 N flip ATOM 0 H GLN A 50 41.169 9.544 2.977 1.00 1.23 H new ATOM 0 HA GLN A 50 39.541 10.133 5.256 1.00 1.30 H new ATOM 0 HB2 GLN A 50 40.157 11.594 2.669 1.00 1.43 H new ATOM 0 HB3 GLN A 50 39.108 12.260 3.905 1.00 1.43 H new ATOM 0 HG2 GLN A 50 41.172 13.230 4.385 1.00 1.59 H new ATOM 0 HG3 GLN A 50 41.079 11.910 5.534 1.00 1.59 H new ATOM 0 HE21 GLN A 50 43.357 11.677 5.702 1.00 1.96 H new ATOM 0 HE22 GLN A 50 44.326 11.077 4.352 1.00 1.96 H new ATOM 828 N ALA A 51 38.108 9.481 2.363 1.00 1.16 N ATOM 829 CA ALA A 51 36.845 9.119 1.736 1.00 1.11 C ATOM 830 C ALA A 51 36.257 7.880 2.402 1.00 1.02 C ATOM 831 O ALA A 51 35.043 7.769 2.569 1.00 1.00 O ATOM 832 CB ALA A 51 37.029 8.891 0.244 1.00 1.15 C ATOM 0 H ALA A 51 38.917 9.429 1.743 1.00 1.16 H new ATOM 0 HA ALA A 51 36.147 9.946 1.868 1.00 1.11 H new ATOM 0 HB1 ALA A 51 36.072 8.622 -0.204 1.00 1.15 H new ATOM 0 HB2 ALA A 51 37.403 9.804 -0.220 1.00 1.15 H new ATOM 0 HB3 ALA A 51 37.744 8.084 0.085 1.00 1.15 H new ATOM 838 N ALA A 52 37.131 6.956 2.791 1.00 1.01 N ATOM 839 CA ALA A 52 36.718 5.733 3.464 1.00 1.01 C ATOM 840 C ALA A 52 36.077 6.059 4.803 1.00 1.04 C ATOM 841 O ALA A 52 35.138 5.392 5.238 1.00 1.05 O ATOM 842 CB ALA A 52 37.913 4.819 3.674 1.00 1.07 C ATOM 0 H ALA A 52 38.138 7.035 2.649 1.00 1.01 H new ATOM 0 HA ALA A 52 35.987 5.223 2.837 1.00 1.01 H new ATOM 0 HB1 ALA A 52 37.590 3.908 4.178 1.00 1.07 H new ATOM 0 HB2 ALA A 52 38.350 4.564 2.709 1.00 1.07 H new ATOM 0 HB3 ALA A 52 38.657 5.328 4.286 1.00 1.07 H new ATOM 848 N GLU A 53 36.595 7.098 5.445 1.00 1.10 N ATOM 849 CA GLU A 53 36.087 7.543 6.730 1.00 1.20 C ATOM 850 C GLU A 53 34.698 8.151 6.561 1.00 1.18 C ATOM 851 O GLU A 53 33.839 8.019 7.429 1.00 1.23 O ATOM 852 CB GLU A 53 37.051 8.559 7.353 1.00 1.32 C ATOM 853 CG GLU A 53 36.743 8.892 8.800 1.00 1.52 C ATOM 854 CD GLU A 53 36.577 7.656 9.655 1.00 1.64 C ATOM 855 OE1 GLU A 53 37.505 6.823 9.686 1.00 1.87 O ATOM 856 OE2 GLU A 53 35.512 7.512 10.294 1.00 1.65 O ATOM 0 H GLU A 53 37.375 7.651 5.090 1.00 1.10 H new ATOM 0 HA GLU A 53 36.009 6.686 7.399 1.00 1.20 H new ATOM 0 HB2 GLU A 53 38.066 8.168 7.289 1.00 1.32 H new ATOM 0 HB3 GLU A 53 37.025 9.477 6.766 1.00 1.32 H new ATOM 0 HG2 GLU A 53 37.546 9.506 9.207 1.00 1.52 H new ATOM 0 HG3 GLU A 53 35.831 9.487 8.846 1.00 1.52 H new ATOM 863 N LYS A 54 34.484 8.806 5.426 1.00 1.14 N ATOM 864 CA LYS A 54 33.199 9.424 5.125 1.00 1.15 C ATOM 865 C LYS A 54 32.138 8.347 4.929 1.00 1.06 C ATOM 866 O LYS A 54 31.013 8.467 5.416 1.00 1.08 O ATOM 867 CB LYS A 54 33.315 10.297 3.875 1.00 1.20 C ATOM 868 CG LYS A 54 34.335 11.416 4.022 1.00 1.43 C ATOM 869 CD LYS A 54 34.567 12.148 2.714 1.00 1.56 C ATOM 870 CE LYS A 54 35.821 13.007 2.786 1.00 1.86 C ATOM 871 NZ LYS A 54 35.698 14.096 3.794 1.00 2.25 N ATOM 0 H LYS A 54 35.187 8.923 4.696 1.00 1.14 H new ATOM 0 HA LYS A 54 32.903 10.057 5.962 1.00 1.15 H new ATOM 0 HB2 LYS A 54 33.591 9.671 3.026 1.00 1.20 H new ATOM 0 HB3 LYS A 54 32.340 10.729 3.649 1.00 1.20 H new ATOM 0 HG2 LYS A 54 33.991 12.123 4.777 1.00 1.43 H new ATOM 0 HG3 LYS A 54 35.278 11.002 4.378 1.00 1.43 H new ATOM 0 HD2 LYS A 54 34.661 11.428 1.902 1.00 1.56 H new ATOM 0 HD3 LYS A 54 33.705 12.775 2.486 1.00 1.56 H new ATOM 0 HE2 LYS A 54 36.676 12.379 3.035 1.00 1.86 H new ATOM 0 HE3 LYS A 54 36.019 13.442 1.806 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 36.574 14.656 3.809 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 34.898 14.712 3.544 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 35.535 13.682 4.734 1.00 2.25 H new ATOM 885 N LEU A 55 32.511 7.279 4.236 1.00 0.98 N ATOM 886 CA LEU A 55 31.598 6.167 3.997 1.00 0.95 C ATOM 887 C LEU A 55 31.330 5.427 5.307 1.00 0.98 C ATOM 888 O LEU A 55 30.292 4.781 5.477 1.00 1.00 O ATOM 889 CB LEU A 55 32.177 5.208 2.948 1.00 0.93 C ATOM 890 CG LEU A 55 31.654 5.398 1.518 1.00 1.05 C ATOM 891 CD1 LEU A 55 30.191 5.004 1.430 1.00 1.34 C ATOM 892 CD2 LEU A 55 31.851 6.834 1.058 1.00 1.22 C ATOM 0 H LEU A 55 33.439 7.158 3.829 1.00 0.98 H new ATOM 0 HA LEU A 55 30.657 6.561 3.613 1.00 0.95 H new ATOM 0 HB2 LEU A 55 33.261 5.321 2.938 1.00 0.93 H new ATOM 0 HB3 LEU A 55 31.966 4.185 3.260 1.00 0.93 H new ATOM 0 HG LEU A 55 32.226 4.748 0.856 1.00 1.05 H new ATOM 0 HD11 LEU A 55 29.837 5.145 0.409 1.00 1.34 H new ATOM 0 HD12 LEU A 55 30.079 3.957 1.712 1.00 1.34 H new ATOM 0 HD13 LEU A 55 29.605 5.626 2.106 1.00 1.34 H new ATOM 0 HD21 LEU A 55 31.473 6.946 0.042 1.00 1.22 H new ATOM 0 HD22 LEU A 55 31.309 7.507 1.723 1.00 1.22 H new ATOM 0 HD23 LEU A 55 32.913 7.081 1.079 1.00 1.22 H new ATOM 904 N ASN A 56 32.279 5.541 6.233 1.00 1.04 N ATOM 905 CA ASN A 56 32.172 4.913 7.547 1.00 1.14 C ATOM 906 C ASN A 56 31.027 5.541 8.341 1.00 1.19 C ATOM 907 O ASN A 56 30.306 4.858 9.071 1.00 1.25 O ATOM 908 CB ASN A 56 33.493 5.070 8.313 1.00 1.25 C ATOM 909 CG ASN A 56 33.430 4.538 9.738 1.00 1.42 C ATOM 910 OD1 ASN A 56 32.773 3.535 10.017 1.00 1.48 O ATOM 911 ND2 ASN A 56 34.113 5.213 10.650 1.00 1.57 N ATOM 0 H ASN A 56 33.141 6.069 6.094 1.00 1.04 H new ATOM 0 HA ASN A 56 31.964 3.851 7.413 1.00 1.14 H new ATOM 0 HB2 ASN A 56 34.283 4.548 7.772 1.00 1.25 H new ATOM 0 HB3 ASN A 56 33.767 6.125 8.338 1.00 1.25 H new ATOM 0 HD21 ASN A 56 34.106 4.906 11.623 1.00 1.57 H new ATOM 0 HD22 ASN A 56 34.646 6.040 10.380 1.00 1.57 H new ATOM 918 N LYS A 57 30.849 6.846 8.181 1.00 1.20 N ATOM 919 CA LYS A 57 29.788 7.560 8.878 1.00 1.28 C ATOM 920 C LYS A 57 28.451 7.284 8.203 1.00 1.22 C ATOM 921 O LYS A 57 27.418 7.172 8.862 1.00 1.27 O ATOM 922 CB LYS A 57 30.055 9.070 8.886 1.00 1.39 C ATOM 923 CG LYS A 57 31.528 9.458 8.847 1.00 1.52 C ATOM 924 CD LYS A 57 32.023 9.970 10.189 1.00 1.63 C ATOM 925 CE LYS A 57 32.543 8.841 11.070 1.00 1.74 C ATOM 926 NZ LYS A 57 33.890 9.147 11.624 1.00 1.86 N ATOM 0 H LYS A 57 31.425 7.431 7.575 1.00 1.20 H new ATOM 0 HA LYS A 57 29.760 7.208 9.909 1.00 1.28 H new ATOM 0 HB2 LYS A 57 29.553 9.518 8.029 1.00 1.39 H new ATOM 0 HB3 LYS A 57 29.604 9.500 9.780 1.00 1.39 H new ATOM 0 HG2 LYS A 57 32.122 8.594 8.548 1.00 1.52 H new ATOM 0 HG3 LYS A 57 31.680 10.226 8.089 1.00 1.52 H new ATOM 0 HD2 LYS A 57 32.816 10.701 10.029 1.00 1.63 H new ATOM 0 HD3 LYS A 57 31.212 10.487 10.702 1.00 1.63 H new ATOM 0 HE2 LYS A 57 31.844 8.668 11.888 1.00 1.74 H new ATOM 0 HE3 LYS A 57 32.589 7.919 10.490 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 33.969 8.751 12.582 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 34.620 8.726 11.014 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 34.023 10.178 11.663 1.00 1.86 H new ATOM 940 N LEU A 58 28.490 7.164 6.882 1.00 1.12 N ATOM 941 CA LEU A 58 27.293 6.911 6.091 1.00 1.10 C ATOM 942 C LEU A 58 26.657 5.567 6.443 1.00 1.08 C ATOM 943 O LEU A 58 25.452 5.484 6.675 1.00 1.11 O ATOM 944 CB LEU A 58 27.622 6.957 4.597 1.00 1.06 C ATOM 945 CG LEU A 58 27.179 8.229 3.862 1.00 1.22 C ATOM 946 CD1 LEU A 58 25.662 8.301 3.790 1.00 1.35 C ATOM 947 CD2 LEU A 58 27.732 9.470 4.544 1.00 1.39 C ATOM 0 H LEU A 58 29.346 7.239 6.332 1.00 1.12 H new ATOM 0 HA LEU A 58 26.573 7.695 6.326 1.00 1.10 H new ATOM 0 HB2 LEU A 58 28.700 6.845 4.476 1.00 1.06 H new ATOM 0 HB3 LEU A 58 27.156 6.098 4.114 1.00 1.06 H new ATOM 0 HG LEU A 58 27.577 8.189 2.848 1.00 1.22 H new ATOM 0 HD11 LEU A 58 25.365 9.209 3.266 1.00 1.35 H new ATOM 0 HD12 LEU A 58 25.282 7.432 3.254 1.00 1.35 H new ATOM 0 HD13 LEU A 58 25.250 8.314 4.799 1.00 1.35 H new ATOM 0 HD21 LEU A 58 27.404 10.358 4.004 1.00 1.39 H new ATOM 0 HD22 LEU A 58 27.368 9.514 5.570 1.00 1.39 H new ATOM 0 HD23 LEU A 58 28.821 9.429 4.547 1.00 1.39 H new ATOM 959 N ILE A 59 27.472 4.516 6.490 1.00 1.07 N ATOM 960 CA ILE A 59 26.965 3.183 6.803 1.00 1.12 C ATOM 961 C ILE A 59 26.402 3.130 8.223 1.00 1.22 C ATOM 962 O ILE A 59 25.389 2.474 8.465 1.00 1.28 O ATOM 963 CB ILE A 59 28.044 2.084 6.608 1.00 1.15 C ATOM 964 CG1 ILE A 59 27.408 0.690 6.637 1.00 1.28 C ATOM 965 CG2 ILE A 59 29.141 2.181 7.658 1.00 1.26 C ATOM 966 CD1 ILE A 59 26.631 0.353 5.384 1.00 1.39 C ATOM 0 H ILE A 59 28.476 4.560 6.317 1.00 1.07 H new ATOM 0 HA ILE A 59 26.159 2.979 6.098 1.00 1.12 H new ATOM 0 HB ILE A 59 28.499 2.245 5.631 1.00 1.15 H new ATOM 0 HG12 ILE A 59 28.191 -0.055 6.780 1.00 1.28 H new ATOM 0 HG13 ILE A 59 26.742 0.621 7.497 1.00 1.28 H new ATOM 0 HG21 ILE A 59 29.877 1.395 7.488 1.00 1.26 H new ATOM 0 HG22 ILE A 59 29.626 3.155 7.588 1.00 1.26 H new ATOM 0 HG23 ILE A 59 28.706 2.063 8.650 1.00 1.26 H new ATOM 0 HD11 ILE A 59 26.209 -0.648 5.476 1.00 1.39 H new ATOM 0 HD12 ILE A 59 25.826 1.075 5.250 1.00 1.39 H new ATOM 0 HD13 ILE A 59 27.297 0.389 4.522 1.00 1.39 H new ATOM 978 N GLU A 60 27.035 3.840 9.153 1.00 1.27 N ATOM 979 CA GLU A 60 26.571 3.860 10.533 1.00 1.41 C ATOM 980 C GLU A 60 25.213 4.544 10.623 1.00 1.39 C ATOM 981 O GLU A 60 24.299 4.049 11.284 1.00 1.49 O ATOM 982 CB GLU A 60 27.577 4.589 11.422 1.00 1.52 C ATOM 983 CG GLU A 60 27.324 4.389 12.908 1.00 1.73 C ATOM 984 CD GLU A 60 27.813 5.546 13.750 1.00 2.09 C ATOM 985 OE1 GLU A 60 28.981 5.957 13.588 1.00 2.28 O ATOM 986 OE2 GLU A 60 27.033 6.046 14.590 1.00 2.61 O ATOM 0 H GLU A 60 27.865 4.405 8.976 1.00 1.27 H new ATOM 0 HA GLU A 60 26.474 2.831 10.879 1.00 1.41 H new ATOM 0 HB2 GLU A 60 28.582 4.242 11.182 1.00 1.52 H new ATOM 0 HB3 GLU A 60 27.546 5.655 11.196 1.00 1.52 H new ATOM 0 HG2 GLU A 60 26.256 4.252 13.074 1.00 1.73 H new ATOM 0 HG3 GLU A 60 27.818 3.474 13.235 1.00 1.73 H new ATOM 993 N GLY A 61 25.088 5.669 9.929 1.00 1.30 N ATOM 994 CA GLY A 61 23.851 6.422 9.936 1.00 1.30 C ATOM 995 C GLY A 61 22.677 5.610 9.433 1.00 1.26 C ATOM 996 O GLY A 61 21.588 5.680 9.989 1.00 1.27 O ATOM 0 H GLY A 61 25.829 6.075 9.357 1.00 1.30 H new ATOM 0 HA2 GLY A 61 23.644 6.765 10.950 1.00 1.30 H new ATOM 0 HA3 GLY A 61 23.967 7.311 9.316 1.00 1.30 H new ATOM 1000 N TYR A 62 22.902 4.844 8.374 1.00 1.25 N ATOM 1001 CA TYR A 62 21.853 4.007 7.801 1.00 1.31 C ATOM 1002 C TYR A 62 21.553 2.808 8.696 1.00 1.43 C ATOM 1003 O TYR A 62 20.464 2.238 8.645 1.00 1.47 O ATOM 1004 CB TYR A 62 22.241 3.540 6.399 1.00 1.39 C ATOM 1005 CG TYR A 62 21.767 4.476 5.315 1.00 1.59 C ATOM 1006 CD1 TYR A 62 22.334 5.735 5.164 1.00 2.03 C ATOM 1007 CD2 TYR A 62 20.745 4.108 4.448 1.00 2.27 C ATOM 1008 CE1 TYR A 62 21.899 6.598 4.179 1.00 2.60 C ATOM 1009 CE2 TYR A 62 20.304 4.965 3.460 1.00 2.80 C ATOM 1010 CZ TYR A 62 20.886 6.212 3.332 1.00 2.80 C ATOM 1011 OH TYR A 62 20.453 7.070 2.351 1.00 3.54 O ATOM 0 H TYR A 62 23.800 4.784 7.894 1.00 1.25 H new ATOM 0 HA TYR A 62 20.948 4.611 7.729 1.00 1.31 H new ATOM 0 HB2 TYR A 62 23.325 3.444 6.341 1.00 1.39 H new ATOM 0 HB3 TYR A 62 21.824 2.548 6.224 1.00 1.39 H new ATOM 0 HD1 TYR A 62 23.128 6.043 5.828 1.00 2.03 H new ATOM 0 HD2 TYR A 62 20.288 3.135 4.549 1.00 2.27 H new ATOM 0 HE1 TYR A 62 22.352 7.573 4.073 1.00 2.60 H new ATOM 0 HE2 TYR A 62 19.510 4.664 2.792 1.00 2.80 H new ATOM 0 HH TYR A 62 19.734 6.645 1.839 1.00 3.54 H new ATOM 1021 N THR A 63 22.517 2.434 9.527 1.00 1.55 N ATOM 1022 CA THR A 63 22.347 1.303 10.426 1.00 1.74 C ATOM 1023 C THR A 63 21.491 1.688 11.634 1.00 1.68 C ATOM 1024 O THR A 63 20.500 1.025 11.946 1.00 1.81 O ATOM 1025 CB THR A 63 23.702 0.758 10.919 1.00 1.96 C ATOM 1026 OG1 THR A 63 24.505 0.377 9.798 1.00 2.00 O ATOM 1027 CG2 THR A 63 23.513 -0.440 11.846 1.00 2.37 C ATOM 0 H THR A 63 23.423 2.897 9.596 1.00 1.55 H new ATOM 0 HA THR A 63 21.842 0.522 9.858 1.00 1.74 H new ATOM 0 HB THR A 63 24.202 1.547 11.480 1.00 1.96 H new ATOM 0 HG1 THR A 63 24.747 1.175 9.282 1.00 2.00 H new ATOM 0 HG21 THR A 63 24.487 -0.801 12.177 1.00 2.37 H new ATOM 0 HG22 THR A 63 22.924 -0.140 12.713 1.00 2.37 H new ATOM 0 HG23 THR A 63 22.993 -1.235 11.312 1.00 2.37 H new ATOM 1035 N TYR A 64 21.862 2.777 12.292 1.00 1.56 N ATOM 1036 CA TYR A 64 21.150 3.251 13.477 1.00 1.61 C ATOM 1037 C TYR A 64 20.307 4.477 13.158 1.00 1.32 C ATOM 1038 O TYR A 64 20.093 5.332 14.019 1.00 1.40 O ATOM 1039 CB TYR A 64 22.144 3.588 14.591 1.00 1.89 C ATOM 1040 CG TYR A 64 23.134 2.479 14.874 1.00 2.36 C ATOM 1041 CD1 TYR A 64 22.703 1.229 15.291 1.00 2.88 C ATOM 1042 CD2 TYR A 64 24.500 2.683 14.714 1.00 2.94 C ATOM 1043 CE1 TYR A 64 23.602 0.209 15.542 1.00 3.56 C ATOM 1044 CE2 TYR A 64 25.406 1.668 14.963 1.00 3.61 C ATOM 1045 CZ TYR A 64 24.949 0.434 15.378 1.00 3.79 C ATOM 1046 OH TYR A 64 25.843 -0.584 15.621 1.00 4.61 O ATOM 0 H TYR A 64 22.659 3.355 12.025 1.00 1.56 H new ATOM 0 HA TYR A 64 20.487 2.453 13.810 1.00 1.61 H new ATOM 0 HB2 TYR A 64 22.690 4.491 14.318 1.00 1.89 H new ATOM 0 HB3 TYR A 64 21.592 3.813 15.504 1.00 1.89 H new ATOM 0 HD1 TYR A 64 21.646 1.049 15.422 1.00 2.88 H new ATOM 0 HD2 TYR A 64 24.859 3.649 14.390 1.00 2.94 H new ATOM 0 HE1 TYR A 64 23.249 -0.759 15.865 1.00 3.56 H new ATOM 0 HE2 TYR A 64 26.464 1.840 14.833 1.00 3.61 H new ATOM 0 HH TYR A 64 26.755 -0.264 15.458 1.00 4.61 H new ATOM 1056 N GLY A 65 19.842 4.562 11.921 1.00 1.16 N ATOM 1057 CA GLY A 65 19.032 5.685 11.505 1.00 1.08 C ATOM 1058 C GLY A 65 17.578 5.543 11.898 1.00 1.03 C ATOM 1059 O GLY A 65 16.895 4.601 11.476 1.00 1.02 O ATOM 0 H GLY A 65 20.013 3.867 11.194 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.434 6.598 11.944 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.101 5.795 10.423 1.00 1.08 H new ATOM 1063 N GLU A 66 17.108 6.483 12.708 1.00 1.04 N ATOM 1064 CA GLU A 66 15.726 6.493 13.164 1.00 1.03 C ATOM 1065 C GLU A 66 14.785 6.667 11.985 1.00 0.98 C ATOM 1066 O GLU A 66 13.661 6.163 11.985 1.00 0.98 O ATOM 1067 CB GLU A 66 15.515 7.615 14.177 1.00 1.10 C ATOM 1068 CG GLU A 66 15.962 7.244 15.579 1.00 1.55 C ATOM 1069 CD GLU A 66 15.004 6.293 16.265 1.00 1.48 C ATOM 1070 OE1 GLU A 66 15.009 5.088 15.937 1.00 1.73 O ATOM 1071 OE2 GLU A 66 14.230 6.745 17.132 1.00 1.79 O ATOM 0 H GLU A 66 17.671 7.255 13.065 1.00 1.04 H new ATOM 0 HA GLU A 66 15.509 5.540 13.646 1.00 1.03 H new ATOM 0 HB2 GLU A 66 16.062 8.499 13.850 1.00 1.10 H new ATOM 0 HB3 GLU A 66 14.459 7.883 14.198 1.00 1.10 H new ATOM 0 HG2 GLU A 66 16.950 6.787 15.532 1.00 1.55 H new ATOM 0 HG3 GLU A 66 16.059 8.150 16.177 1.00 1.55 H new ATOM 1078 N GLU A 67 15.261 7.376 10.971 1.00 0.98 N ATOM 1079 CA GLU A 67 14.484 7.624 9.764 1.00 0.98 C ATOM 1080 C GLU A 67 14.151 6.310 9.060 1.00 0.95 C ATOM 1081 O GLU A 67 13.038 6.128 8.560 1.00 0.93 O ATOM 1082 CB GLU A 67 15.253 8.549 8.819 1.00 1.05 C ATOM 1083 CG GLU A 67 16.712 8.157 8.643 1.00 1.33 C ATOM 1084 CD GLU A 67 17.297 8.653 7.341 1.00 1.79 C ATOM 1085 OE1 GLU A 67 16.811 8.234 6.267 1.00 2.37 O ATOM 1086 OE2 GLU A 67 18.241 9.467 7.381 1.00 2.46 O ATOM 0 H GLU A 67 16.192 7.794 10.961 1.00 0.98 H new ATOM 0 HA GLU A 67 13.551 8.110 10.049 1.00 0.98 H new ATOM 0 HB2 GLU A 67 14.764 8.548 7.845 1.00 1.05 H new ATOM 0 HB3 GLU A 67 15.202 9.569 9.200 1.00 1.05 H new ATOM 0 HG2 GLU A 67 17.294 8.557 9.473 1.00 1.33 H new ATOM 0 HG3 GLU A 67 16.800 7.071 8.686 1.00 1.33 H new ATOM 1093 N ARG A 68 15.114 5.387 9.044 1.00 0.97 N ATOM 1094 CA ARG A 68 14.923 4.084 8.417 1.00 0.99 C ATOM 1095 C ARG A 68 13.791 3.344 9.120 1.00 0.96 C ATOM 1096 O ARG A 68 12.945 2.710 8.480 1.00 0.97 O ATOM 1097 CB ARG A 68 16.229 3.270 8.474 1.00 1.06 C ATOM 1098 CG ARG A 68 16.156 1.925 7.763 1.00 1.17 C ATOM 1099 CD ARG A 68 15.644 0.828 8.685 1.00 1.27 C ATOM 1100 NE ARG A 68 15.680 -0.489 8.058 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.619 -1.297 7.947 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.420 -0.884 8.335 1.00 1.41 N ATOM 1103 NH2 ARG A 68 14.756 -2.512 7.434 1.00 1.70 N ATOM 0 H ARG A 68 16.036 5.521 9.460 1.00 0.97 H new ATOM 0 HA ARG A 68 14.656 4.220 7.369 1.00 0.99 H new ATOM 0 HB2 ARG A 68 17.032 3.860 8.031 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.495 3.103 9.518 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.501 2.007 6.896 1.00 1.17 H new ATOM 0 HG3 ARG A 68 17.145 1.656 7.391 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.246 0.811 9.594 1.00 1.27 H new ATOM 0 HD3 ARG A 68 14.621 1.057 8.984 1.00 1.27 H new ATOM 0 HE ARG A 68 16.570 -0.814 7.680 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.303 0.053 8.720 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.614 -1.504 8.248 1.00 1.41 H new ATOM 0 HH21 ARG A 68 15.672 -2.834 7.122 1.00 1.70 H new ATOM 0 HH22 ARG A 68 13.945 -3.125 7.351 1.00 1.70 H new ATOM 1117 N LYS A 69 13.783 3.441 10.442 1.00 0.95 N ATOM 1118 CA LYS A 69 12.752 2.805 11.250 1.00 0.97 C ATOM 1119 C LYS A 69 11.399 3.450 10.981 1.00 0.91 C ATOM 1120 O LYS A 69 10.366 2.779 10.992 1.00 0.92 O ATOM 1121 CB LYS A 69 13.108 2.918 12.731 1.00 1.04 C ATOM 1122 CG LYS A 69 12.350 1.955 13.625 1.00 1.31 C ATOM 1123 CD LYS A 69 12.691 2.188 15.085 1.00 1.43 C ATOM 1124 CE LYS A 69 11.976 3.410 15.636 1.00 1.48 C ATOM 1125 NZ LYS A 69 12.720 4.029 16.763 1.00 1.54 N ATOM 0 H LYS A 69 14.481 3.956 10.979 1.00 0.95 H new ATOM 0 HA LYS A 69 12.693 1.750 10.981 1.00 0.97 H new ATOM 0 HB2 LYS A 69 14.177 2.743 12.851 1.00 1.04 H new ATOM 0 HB3 LYS A 69 12.912 3.937 13.064 1.00 1.04 H new ATOM 0 HG2 LYS A 69 11.278 2.080 13.474 1.00 1.31 H new ATOM 0 HG3 LYS A 69 12.594 0.929 13.350 1.00 1.31 H new ATOM 0 HD2 LYS A 69 12.415 1.310 15.669 1.00 1.43 H new ATOM 0 HD3 LYS A 69 13.768 2.316 15.192 1.00 1.43 H new ATOM 0 HE2 LYS A 69 11.847 4.144 14.840 1.00 1.48 H new ATOM 0 HE3 LYS A 69 10.979 3.126 15.972 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 12.325 4.970 16.965 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 12.633 3.429 17.608 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 13.724 4.123 16.507 1.00 1.54 H new ATOM 1139 N LEU A 70 11.424 4.749 10.710 1.00 0.90 N ATOM 1140 CA LEU A 70 10.213 5.506 10.426 1.00 0.88 C ATOM 1141 C LEU A 70 9.519 4.968 9.177 1.00 0.85 C ATOM 1142 O LEU A 70 8.297 4.808 9.157 1.00 0.85 O ATOM 1143 CB LEU A 70 10.556 6.987 10.238 1.00 0.93 C ATOM 1144 CG LEU A 70 9.429 7.863 9.685 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.620 8.471 10.822 1.00 1.14 C ATOM 1146 CD2 LEU A 70 9.995 8.955 8.786 1.00 1.15 C ATOM 0 H LEU A 70 12.279 5.304 10.681 1.00 0.90 H new ATOM 0 HA LEU A 70 9.532 5.399 11.271 1.00 0.88 H new ATOM 0 HB2 LEU A 70 10.869 7.394 11.200 1.00 0.93 H new ATOM 0 HB3 LEU A 70 11.412 7.061 9.567 1.00 0.93 H new ATOM 0 HG LEU A 70 8.766 7.237 9.088 1.00 1.01 H new ATOM 0 HD11 LEU A 70 7.823 9.091 10.411 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.185 7.674 11.426 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.271 9.084 11.445 1.00 1.14 H new ATOM 0 HD21 LEU A 70 9.180 9.568 8.401 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.680 9.580 9.359 1.00 1.15 H new ATOM 0 HD23 LEU A 70 10.530 8.499 7.953 1.00 1.15 H new ATOM 1158 N TYR A 71 10.306 4.679 8.141 1.00 0.84 N ATOM 1159 CA TYR A 71 9.761 4.156 6.888 1.00 0.86 C ATOM 1160 C TYR A 71 9.134 2.780 7.110 1.00 0.85 C ATOM 1161 O TYR A 71 8.073 2.474 6.571 1.00 0.85 O ATOM 1162 CB TYR A 71 10.846 4.049 5.805 1.00 0.91 C ATOM 1163 CG TYR A 71 11.757 5.255 5.680 1.00 0.92 C ATOM 1164 CD1 TYR A 71 11.253 6.551 5.670 1.00 0.94 C ATOM 1165 CD2 TYR A 71 13.131 5.087 5.563 1.00 0.99 C ATOM 1166 CE1 TYR A 71 12.097 7.643 5.553 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.979 6.170 5.446 1.00 1.05 C ATOM 1168 CZ TYR A 71 13.460 7.447 5.440 1.00 1.05 C ATOM 1169 OH TYR A 71 14.305 8.531 5.326 1.00 1.16 O ATOM 0 H TYR A 71 11.319 4.797 8.144 1.00 0.84 H new ATOM 0 HA TYR A 71 8.997 4.856 6.549 1.00 0.86 H new ATOM 0 HB2 TYR A 71 11.458 3.172 6.013 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.361 3.879 4.844 1.00 0.91 H new ATOM 0 HD1 TYR A 71 10.188 6.708 5.755 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.544 4.089 5.564 1.00 0.99 H new ATOM 0 HE1 TYR A 71 11.691 8.644 5.550 1.00 1.01 H new ATOM 0 HE2 TYR A 71 15.045 6.017 5.360 1.00 1.05 H new ATOM 0 HH TYR A 71 15.206 8.275 5.613 1.00 1.16 H new ATOM 1179 N ASP A 72 9.802 1.959 7.918 1.00 0.86 N ATOM 1180 CA ASP A 72 9.320 0.611 8.223 1.00 0.90 C ATOM 1181 C ASP A 72 7.996 0.685 8.976 1.00 0.87 C ATOM 1182 O ASP A 72 7.077 -0.093 8.723 1.00 0.87 O ATOM 1183 CB ASP A 72 10.354 -0.162 9.049 1.00 0.98 C ATOM 1184 CG ASP A 72 10.231 -1.665 8.869 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.301 -2.268 9.442 1.00 1.47 O ATOM 1186 OD2 ASP A 72 11.072 -2.247 8.148 1.00 1.48 O ATOM 0 H ASP A 72 10.681 2.203 8.375 1.00 0.86 H new ATOM 0 HA ASP A 72 9.165 0.081 7.283 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.356 0.155 8.761 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.232 0.086 10.103 1.00 0.98 H new ATOM 1191 N SER A 73 7.899 1.656 9.874 1.00 0.85 N ATOM 1192 CA SER A 73 6.695 1.859 10.666 1.00 0.85 C ATOM 1193 C SER A 73 5.537 2.306 9.777 1.00 0.81 C ATOM 1194 O SER A 73 4.370 2.073 10.093 1.00 0.80 O ATOM 1195 CB SER A 73 6.956 2.889 11.763 1.00 0.90 C ATOM 1196 OG SER A 73 8.099 2.537 12.531 1.00 0.96 O ATOM 0 H SER A 73 8.647 2.320 10.073 1.00 0.85 H new ATOM 0 HA SER A 73 6.421 0.913 11.133 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.103 3.872 11.316 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.084 2.961 12.414 1.00 0.90 H new ATOM 0 HG SER A 73 8.911 2.773 12.036 1.00 0.96 H new ATOM 1202 N ALA A 74 5.867 2.940 8.659 1.00 0.80 N ATOM 1203 CA ALA A 74 4.858 3.394 7.719 1.00 0.79 C ATOM 1204 C ALA A 74 4.228 2.193 7.029 1.00 0.76 C ATOM 1205 O ALA A 74 3.016 2.139 6.833 1.00 0.75 O ATOM 1206 CB ALA A 74 5.461 4.347 6.700 1.00 0.82 C ATOM 0 H ALA A 74 6.826 3.150 8.384 1.00 0.80 H new ATOM 0 HA ALA A 74 4.084 3.936 8.263 1.00 0.79 H new ATOM 0 HB1 ALA A 74 4.687 4.675 6.006 1.00 0.82 H new ATOM 0 HB2 ALA A 74 5.878 5.213 7.214 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.251 3.838 6.149 1.00 0.82 H new ATOM 1212 N LEU A 75 5.063 1.212 6.700 1.00 0.77 N ATOM 1213 CA LEU A 75 4.605 -0.003 6.043 1.00 0.78 C ATOM 1214 C LEU A 75 3.709 -0.803 6.980 1.00 0.77 C ATOM 1215 O LEU A 75 2.737 -1.426 6.548 1.00 0.77 O ATOM 1216 CB LEU A 75 5.800 -0.854 5.598 1.00 0.83 C ATOM 1217 CG LEU A 75 5.789 -1.302 4.129 1.00 0.92 C ATOM 1218 CD1 LEU A 75 4.627 -2.249 3.858 1.00 1.13 C ATOM 1219 CD2 LEU A 75 5.726 -0.093 3.199 1.00 1.15 C ATOM 0 H LEU A 75 6.067 1.238 6.880 1.00 0.77 H new ATOM 0 HA LEU A 75 4.030 0.276 5.160 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.713 -0.287 5.779 1.00 0.83 H new ATOM 0 HB3 LEU A 75 5.845 -1.742 6.229 1.00 0.83 H new ATOM 0 HG LEU A 75 6.716 -1.840 3.932 1.00 0.92 H new ATOM 0 HD11 LEU A 75 4.641 -2.552 2.811 1.00 1.13 H new ATOM 0 HD12 LEU A 75 4.721 -3.131 4.492 1.00 1.13 H new ATOM 0 HD13 LEU A 75 3.687 -1.743 4.077 1.00 1.13 H new ATOM 0 HD21 LEU A 75 5.719 -0.431 2.163 1.00 1.15 H new ATOM 0 HD22 LEU A 75 4.818 0.475 3.402 1.00 1.15 H new ATOM 0 HD23 LEU A 75 6.596 0.542 3.368 1.00 1.15 H new ATOM 1231 N SER A 76 4.037 -0.776 8.268 1.00 0.78 N ATOM 1232 CA SER A 76 3.250 -1.484 9.267 1.00 0.80 C ATOM 1233 C SER A 76 1.813 -0.967 9.274 1.00 0.76 C ATOM 1234 O SER A 76 0.859 -1.739 9.394 1.00 0.77 O ATOM 1235 CB SER A 76 3.876 -1.313 10.652 1.00 0.85 C ATOM 1236 OG SER A 76 5.284 -1.471 10.604 1.00 0.88 O ATOM 0 H SER A 76 4.841 -0.272 8.642 1.00 0.78 H new ATOM 0 HA SER A 76 3.240 -2.544 9.014 1.00 0.80 H new ATOM 0 HB2 SER A 76 3.632 -0.326 11.044 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.449 -2.044 11.339 1.00 0.85 H new ATOM 0 HG SER A 76 5.657 -1.355 11.503 1.00 0.88 H new ATOM 1242 N LYS A 77 1.673 0.348 9.108 1.00 0.75 N ATOM 1243 CA LYS A 77 0.366 0.994 9.090 1.00 0.74 C ATOM 1244 C LYS A 77 -0.431 0.557 7.869 1.00 0.71 C ATOM 1245 O LYS A 77 -1.651 0.404 7.932 1.00 0.70 O ATOM 1246 CB LYS A 77 0.525 2.518 9.085 1.00 0.76 C ATOM 1247 CG LYS A 77 1.118 3.069 10.370 1.00 0.90 C ATOM 1248 CD LYS A 77 1.230 4.584 10.315 1.00 0.98 C ATOM 1249 CE LYS A 77 1.584 5.165 11.672 1.00 1.35 C ATOM 1250 NZ LYS A 77 2.909 4.691 12.148 1.00 1.61 N ATOM 0 H LYS A 77 2.457 0.989 8.983 1.00 0.75 H new ATOM 0 HA LYS A 77 -0.174 0.694 9.988 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.161 2.806 8.248 1.00 0.76 H new ATOM 0 HB3 LYS A 77 -0.450 2.977 8.918 1.00 0.76 H new ATOM 0 HG2 LYS A 77 0.495 2.778 11.216 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.104 2.634 10.535 1.00 0.90 H new ATOM 0 HD2 LYS A 77 1.990 4.868 9.587 1.00 0.98 H new ATOM 0 HD3 LYS A 77 0.286 5.008 9.972 1.00 0.98 H new ATOM 0 HE2 LYS A 77 1.588 6.253 11.611 1.00 1.35 H new ATOM 0 HE3 LYS A 77 0.818 4.889 12.396 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 3.160 5.187 13.027 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 2.868 3.667 12.328 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 3.629 4.886 11.423 1.00 1.61 H new ATOM 1264 N ILE A 78 0.273 0.340 6.763 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.366 -0.082 5.525 1.00 0.71 C ATOM 1266 C ILE A 78 -0.966 -1.471 5.677 1.00 0.70 C ATOM 1267 O ILE A 78 -2.117 -1.698 5.317 1.00 0.69 O ATOM 1268 CB ILE A 78 0.615 -0.103 4.335 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.481 1.157 4.317 1.00 1.04 C ATOM 1270 CG2 ILE A 78 -0.148 -0.250 3.027 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.704 2.438 4.111 1.00 1.33 C ATOM 0 H ILE A 78 1.285 0.450 6.700 1.00 0.71 H new ATOM 0 HA ILE A 78 -1.147 0.650 5.320 1.00 0.71 H new ATOM 0 HB ILE A 78 1.277 -0.961 4.451 1.00 0.77 H new ATOM 0 HG12 ILE A 78 2.027 1.223 5.258 1.00 1.04 H new ATOM 0 HG13 ILE A 78 2.223 1.063 3.524 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.556 -0.263 2.195 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.714 -1.181 3.039 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -0.833 0.589 2.909 1.00 0.84 H new ATOM 0 HD11 ILE A 78 1.391 3.284 4.111 1.00 1.33 H new ATOM 0 HD12 ILE A 78 0.180 2.396 3.156 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.020 2.558 4.917 1.00 1.33 H new ATOM 1283 N GLU A 79 -0.178 -2.394 6.223 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.632 -3.764 6.430 1.00 0.74 C ATOM 1285 C GLU A 79 -1.903 -3.792 7.274 1.00 0.73 C ATOM 1286 O GLU A 79 -2.857 -4.506 6.962 1.00 0.74 O ATOM 1287 CB GLU A 79 0.463 -4.595 7.099 1.00 0.79 C ATOM 1288 CG GLU A 79 0.124 -6.075 7.180 1.00 1.00 C ATOM 1289 CD GLU A 79 1.237 -6.905 7.785 1.00 1.32 C ATOM 1290 OE1 GLU A 79 2.151 -7.313 7.042 1.00 1.93 O ATOM 1291 OE2 GLU A 79 1.196 -7.172 9.007 1.00 1.95 O ATOM 0 H GLU A 79 0.778 -2.217 6.530 1.00 0.72 H new ATOM 0 HA GLU A 79 -0.856 -4.198 5.455 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.394 -4.471 6.545 1.00 0.79 H new ATOM 0 HB3 GLU A 79 0.637 -4.213 8.105 1.00 0.79 H new ATOM 0 HG2 GLU A 79 -0.781 -6.203 7.774 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -0.096 -6.447 6.179 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.919 -2.985 8.331 1.00 0.72 N ATOM 1299 CA LYS A 80 -3.074 -2.907 9.221 1.00 0.73 C ATOM 1300 C LYS A 80 -4.312 -2.445 8.462 1.00 0.72 C ATOM 1301 O LYS A 80 -5.412 -2.953 8.686 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.787 -1.967 10.394 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.721 -2.494 11.339 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.450 -1.522 12.472 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.109 -1.974 13.768 1.00 1.35 C ATOM 1306 NZ LYS A 80 -1.536 -3.254 14.267 1.00 1.71 N ATOM 0 H LYS A 80 -1.144 -2.375 8.593 1.00 0.72 H new ATOM 0 HA LYS A 80 -3.266 -3.905 9.615 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.472 -0.998 10.006 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.708 -1.802 10.952 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -2.039 -3.452 11.749 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.800 -2.674 10.785 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.375 -1.429 12.623 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.820 -0.533 12.200 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -1.985 -1.201 14.527 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.180 -2.094 13.607 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -1.642 -3.302 15.300 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -2.038 -4.053 13.830 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -0.527 -3.302 14.020 1.00 1.71 H new ATOM 1320 N LEU A 81 -4.121 -1.501 7.548 1.00 0.69 N ATOM 1321 CA LEU A 81 -5.218 -0.977 6.745 1.00 0.71 C ATOM 1322 C LEU A 81 -5.766 -2.072 5.829 1.00 0.72 C ATOM 1323 O LEU A 81 -6.978 -2.200 5.654 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.744 0.227 5.920 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.657 1.462 5.955 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -7.013 1.156 5.338 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -5.823 1.973 7.378 1.00 0.94 C ATOM 0 H LEU A 81 -3.214 -1.082 7.345 1.00 0.69 H new ATOM 0 HA LEU A 81 -6.016 -0.647 7.409 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.755 0.519 6.274 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.631 -0.089 4.883 1.00 0.71 H new ATOM 0 HG LEU A 81 -5.182 2.244 5.362 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -7.639 2.047 5.376 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.880 0.850 4.300 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.493 0.351 5.895 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.473 2.848 7.377 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -6.266 1.192 7.996 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -4.848 2.246 7.783 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.862 -2.872 5.267 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.245 -3.966 4.382 1.00 0.76 C ATOM 1341 C ILE A 82 -6.101 -4.978 5.143 1.00 0.80 C ATOM 1342 O ILE A 82 -7.135 -5.433 4.649 1.00 0.84 O ATOM 1343 CB ILE A 82 -4.007 -4.676 3.781 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -3.077 -3.648 3.123 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.440 -5.734 2.771 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.843 -4.247 2.473 1.00 0.77 C ATOM 0 H ILE A 82 -3.856 -2.781 5.411 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.821 -3.541 3.560 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.462 -5.173 4.584 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.639 -3.097 2.369 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.762 -2.926 3.876 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.559 -6.224 2.357 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -5.068 -6.474 3.266 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -5.003 -5.260 1.967 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.241 -3.452 2.033 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.255 -4.773 3.225 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.145 -4.947 1.694 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.669 -5.302 6.360 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.395 -6.239 7.215 1.00 0.86 C ATOM 1360 C GLU A 83 -7.750 -5.652 7.611 1.00 0.85 C ATOM 1361 O GLU A 83 -8.721 -6.380 7.827 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.563 -6.578 8.458 1.00 0.90 C ATOM 1363 CG GLU A 83 -6.189 -7.636 9.354 1.00 1.24 C ATOM 1364 CD GLU A 83 -5.150 -8.404 10.146 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -4.610 -9.399 9.614 1.00 2.36 O ATOM 1366 OE2 GLU A 83 -4.862 -8.010 11.301 1.00 2.18 O ATOM 0 H GLU A 83 -4.817 -4.928 6.777 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.570 -7.160 6.660 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.579 -6.922 8.141 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.411 -5.669 9.039 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -6.888 -7.160 10.041 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -6.765 -8.331 8.744 1.00 1.24 H new ATOM 1373 N THR A 84 -7.804 -4.326 7.684 1.00 0.82 N ATOM 1374 CA THR A 84 -9.032 -3.621 8.027 1.00 0.84 C ATOM 1375 C THR A 84 -10.047 -3.756 6.893 1.00 0.89 C ATOM 1376 O THR A 84 -11.256 -3.801 7.123 1.00 0.92 O ATOM 1377 CB THR A 84 -8.756 -2.129 8.313 1.00 0.83 C ATOM 1378 OG1 THR A 84 -7.771 -2.005 9.349 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.024 -1.407 8.736 1.00 0.85 C ATOM 0 H THR A 84 -7.006 -3.716 7.509 1.00 0.82 H new ATOM 0 HA THR A 84 -9.440 -4.071 8.932 1.00 0.84 H new ATOM 0 HB THR A 84 -8.388 -1.673 7.394 1.00 0.83 H new ATOM 0 HG1 THR A 84 -6.901 -2.304 9.011 1.00 0.84 H new ATOM 0 HG21 THR A 84 -9.798 -0.359 8.931 1.00 0.85 H new ATOM 0 HG22 THR A 84 -10.765 -1.477 7.940 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.420 -1.867 9.642 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.542 -3.842 5.671 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.396 -3.991 4.504 1.00 1.01 C ATOM 1389 C LEU A 85 -10.815 -5.447 4.342 1.00 1.08 C ATOM 1390 O LEU A 85 -11.991 -5.753 4.141 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.666 -3.510 3.244 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.274 -2.030 3.232 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.383 -1.733 2.033 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.517 -1.146 3.215 1.00 1.13 C ATOM 0 H LEU A 85 -8.544 -3.811 5.463 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.288 -3.381 4.646 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.763 -4.108 3.118 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.301 -3.706 2.380 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.715 -1.809 4.141 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -8.110 -0.678 2.035 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.480 -2.341 2.091 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -8.920 -1.968 1.114 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -10.218 -0.098 3.207 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -11.105 -1.363 2.323 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -11.117 -1.345 4.103 1.00 1.13 H new ATOM 1406 N SER A 86 -9.850 -6.346 4.435 1.00 1.18 N ATOM 1407 CA SER A 86 -10.112 -7.771 4.299 1.00 1.31 C ATOM 1408 C SER A 86 -9.289 -8.559 5.318 1.00 1.73 C ATOM 1409 O SER A 86 -8.062 -8.486 5.314 1.00 2.31 O ATOM 1410 CB SER A 86 -9.771 -8.235 2.878 1.00 1.71 C ATOM 1411 OG SER A 86 -10.321 -7.364 1.902 1.00 1.97 O ATOM 0 H SER A 86 -8.872 -6.113 4.605 1.00 1.18 H new ATOM 0 HA SER A 86 -11.170 -7.952 4.487 1.00 1.31 H new ATOM 0 HB2 SER A 86 -8.689 -8.280 2.759 1.00 1.71 H new ATOM 0 HB3 SER A 86 -10.151 -9.245 2.722 1.00 1.71 H new ATOM 0 HG SER A 86 -10.085 -7.685 1.007 1.00 1.97 H new ATOM 1914 N LYS B 10 16.333 14.832 0.469 1.00 1.52 N ATOM 1915 CA LYS B 10 15.833 14.242 1.705 1.00 1.44 C ATOM 1916 C LYS B 10 14.470 14.820 2.076 1.00 1.38 C ATOM 1917 O LYS B 10 13.590 14.101 2.551 1.00 1.32 O ATOM 1918 CB LYS B 10 16.833 14.473 2.844 1.00 1.48 C ATOM 1919 CG LYS B 10 16.727 13.454 3.970 1.00 1.54 C ATOM 1920 CD LYS B 10 17.236 12.084 3.539 1.00 1.71 C ATOM 1921 CE LYS B 10 16.887 11.014 4.557 1.00 2.08 C ATOM 1922 NZ LYS B 10 17.479 9.695 4.209 1.00 2.41 N ATOM 0 HA LYS B 10 15.716 13.170 1.546 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.844 14.448 2.438 1.00 1.48 H new ATOM 0 HB3 LYS B 10 16.679 15.471 3.254 1.00 1.48 H new ATOM 0 HG2 LYS B 10 17.300 13.801 4.830 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.688 13.372 4.290 1.00 1.54 H new ATOM 0 HD2 LYS B 10 16.805 11.822 2.573 1.00 1.71 H new ATOM 0 HD3 LYS B 10 18.317 12.122 3.406 1.00 1.71 H new ATOM 0 HE2 LYS B 10 17.241 11.321 5.541 1.00 2.08 H new ATOM 0 HE3 LYS B 10 15.803 10.918 4.624 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 17.032 8.952 4.783 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 17.318 9.497 3.201 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 18.501 9.712 4.400 1.00 2.41 H new ATOM 1936 N GLU B 11 14.303 16.119 1.850 1.00 1.42 N ATOM 1937 CA GLU B 11 13.045 16.793 2.151 1.00 1.39 C ATOM 1938 C GLU B 11 11.929 16.242 1.271 1.00 1.36 C ATOM 1939 O GLU B 11 10.811 16.005 1.736 1.00 1.30 O ATOM 1940 CB GLU B 11 13.184 18.302 1.925 1.00 1.47 C ATOM 1941 CG GLU B 11 11.966 19.105 2.364 1.00 1.48 C ATOM 1942 CD GLU B 11 11.486 20.095 1.311 1.00 1.62 C ATOM 1943 OE1 GLU B 11 12.060 20.135 0.203 1.00 1.90 O ATOM 1944 OE2 GLU B 11 10.524 20.845 1.595 1.00 1.72 O ATOM 0 H GLU B 11 15.023 16.726 1.459 1.00 1.42 H new ATOM 0 HA GLU B 11 12.797 16.612 3.197 1.00 1.39 H new ATOM 0 HB2 GLU B 11 14.059 18.662 2.466 1.00 1.47 H new ATOM 0 HB3 GLU B 11 13.366 18.486 0.866 1.00 1.47 H new ATOM 0 HG2 GLU B 11 11.154 18.419 2.604 1.00 1.48 H new ATOM 0 HG3 GLU B 11 12.207 19.646 3.279 1.00 1.48 H new ATOM 1951 N LEU B 12 12.258 16.032 0.004 1.00 1.43 N ATOM 1952 CA LEU B 12 11.315 15.519 -0.978 1.00 1.45 C ATOM 1953 C LEU B 12 10.755 14.158 -0.568 1.00 1.36 C ATOM 1954 O LEU B 12 9.542 14.007 -0.414 1.00 1.32 O ATOM 1955 CB LEU B 12 11.989 15.414 -2.350 1.00 1.57 C ATOM 1956 CG LEU B 12 11.107 14.870 -3.475 1.00 1.73 C ATOM 1957 CD1 LEU B 12 10.249 15.976 -4.069 1.00 1.89 C ATOM 1958 CD2 LEU B 12 11.961 14.212 -4.550 1.00 1.89 C ATOM 0 H LEU B 12 13.189 16.213 -0.372 1.00 1.43 H new ATOM 0 HA LEU B 12 10.482 16.220 -1.033 1.00 1.45 H new ATOM 0 HB2 LEU B 12 12.346 16.403 -2.637 1.00 1.57 H new ATOM 0 HB3 LEU B 12 12.866 14.773 -2.257 1.00 1.57 H new ATOM 0 HG LEU B 12 10.442 14.115 -3.056 1.00 1.73 H new ATOM 0 HD11 LEU B 12 9.630 15.567 -4.867 1.00 1.89 H new ATOM 0 HD12 LEU B 12 9.610 16.397 -3.293 1.00 1.89 H new ATOM 0 HD13 LEU B 12 10.892 16.758 -4.473 1.00 1.89 H new ATOM 0 HD21 LEU B 12 11.318 13.830 -5.343 1.00 1.89 H new ATOM 0 HD22 LEU B 12 12.652 14.945 -4.965 1.00 1.89 H new ATOM 0 HD23 LEU B 12 12.525 13.388 -4.113 1.00 1.89 H new ATOM 1970 N LEU B 13 11.637 13.181 -0.375 1.00 1.35 N ATOM 1971 CA LEU B 13 11.210 11.831 -0.007 1.00 1.30 C ATOM 1972 C LEU B 13 10.453 11.805 1.319 1.00 1.18 C ATOM 1973 O LEU B 13 9.475 11.076 1.462 1.00 1.15 O ATOM 1974 CB LEU B 13 12.402 10.859 0.033 1.00 1.35 C ATOM 1975 CG LEU B 13 13.577 11.251 0.936 1.00 1.32 C ATOM 1976 CD1 LEU B 13 13.430 10.636 2.317 1.00 1.48 C ATOM 1977 CD2 LEU B 13 14.889 10.825 0.302 1.00 1.50 C ATOM 0 H LEU B 13 12.646 13.296 -0.466 1.00 1.35 H new ATOM 0 HA LEU B 13 10.520 11.500 -0.783 1.00 1.30 H new ATOM 0 HB2 LEU B 13 12.036 9.884 0.354 1.00 1.35 H new ATOM 0 HB3 LEU B 13 12.778 10.739 -0.983 1.00 1.35 H new ATOM 0 HG LEU B 13 13.576 12.335 1.048 1.00 1.32 H new ATOM 0 HD11 LEU B 13 14.276 10.930 2.938 1.00 1.48 H new ATOM 0 HD12 LEU B 13 12.505 10.987 2.775 1.00 1.48 H new ATOM 0 HD13 LEU B 13 13.403 9.550 2.231 1.00 1.48 H new ATOM 0 HD21 LEU B 13 15.716 11.109 0.952 1.00 1.50 H new ATOM 0 HD22 LEU B 13 14.891 9.744 0.162 1.00 1.50 H new ATOM 0 HD23 LEU B 13 15.002 11.316 -0.664 1.00 1.50 H new ATOM 1989 N LEU B 14 10.886 12.621 2.272 1.00 1.15 N ATOM 1990 CA LEU B 14 10.249 12.657 3.582 1.00 1.07 C ATOM 1991 C LEU B 14 8.825 13.190 3.489 1.00 1.07 C ATOM 1992 O LEU B 14 7.902 12.624 4.075 1.00 1.02 O ATOM 1993 CB LEU B 14 11.059 13.512 4.557 1.00 1.08 C ATOM 1994 CG LEU B 14 10.699 13.321 6.033 1.00 1.04 C ATOM 1995 CD1 LEU B 14 11.004 11.897 6.476 1.00 1.06 C ATOM 1996 CD2 LEU B 14 11.444 14.329 6.900 1.00 1.14 C ATOM 0 H LEU B 14 11.671 13.263 2.163 1.00 1.15 H new ATOM 0 HA LEU B 14 10.212 11.634 3.955 1.00 1.07 H new ATOM 0 HB2 LEU B 14 12.117 13.286 4.424 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.922 14.562 4.297 1.00 1.08 H new ATOM 0 HG LEU B 14 9.630 13.494 6.153 1.00 1.04 H new ATOM 0 HD11 LEU B 14 10.742 11.779 7.527 1.00 1.06 H new ATOM 0 HD12 LEU B 14 10.422 11.197 5.876 1.00 1.06 H new ATOM 0 HD13 LEU B 14 12.066 11.694 6.342 1.00 1.06 H new ATOM 0 HD21 LEU B 14 11.176 14.178 7.946 1.00 1.14 H new ATOM 0 HD22 LEU B 14 12.518 14.191 6.777 1.00 1.14 H new ATOM 0 HD23 LEU B 14 11.172 15.340 6.598 1.00 1.14 H new ATOM 2008 N LYS B 15 8.649 14.275 2.748 1.00 1.15 N ATOM 2009 CA LYS B 15 7.332 14.886 2.595 1.00 1.18 C ATOM 2010 C LYS B 15 6.415 14.020 1.737 1.00 1.13 C ATOM 2011 O LYS B 15 5.206 13.984 1.951 1.00 1.11 O ATOM 2012 CB LYS B 15 7.454 16.295 2.009 1.00 1.32 C ATOM 2013 CG LYS B 15 7.729 17.349 3.068 1.00 1.46 C ATOM 2014 CD LYS B 15 8.375 18.593 2.477 1.00 1.55 C ATOM 2015 CE LYS B 15 7.376 19.451 1.721 1.00 1.76 C ATOM 2016 NZ LYS B 15 7.876 20.842 1.538 1.00 1.80 N ATOM 0 H LYS B 15 9.398 14.751 2.244 1.00 1.15 H new ATOM 0 HA LYS B 15 6.883 14.964 3.585 1.00 1.18 H new ATOM 0 HB2 LYS B 15 8.256 16.309 1.271 1.00 1.32 H new ATOM 0 HB3 LYS B 15 6.533 16.546 1.483 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.795 17.623 3.558 1.00 1.46 H new ATOM 0 HG3 LYS B 15 8.381 16.931 3.835 1.00 1.46 H new ATOM 0 HD2 LYS B 15 8.826 19.181 3.276 1.00 1.55 H new ATOM 0 HD3 LYS B 15 9.181 18.298 1.805 1.00 1.55 H new ATOM 0 HE2 LYS B 15 7.176 19.005 0.747 1.00 1.76 H new ATOM 0 HE3 LYS B 15 6.430 19.472 2.262 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 7.276 21.500 2.076 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 8.856 20.907 1.881 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 7.846 21.092 0.529 1.00 1.80 H new ATOM 2030 N LYS B 16 6.993 13.314 0.776 1.00 1.14 N ATOM 2031 CA LYS B 16 6.215 12.449 -0.100 1.00 1.14 C ATOM 2032 C LYS B 16 5.623 11.274 0.679 1.00 1.03 C ATOM 2033 O LYS B 16 4.465 10.917 0.485 1.00 1.01 O ATOM 2034 CB LYS B 16 7.079 11.935 -1.257 1.00 1.22 C ATOM 2035 CG LYS B 16 7.348 12.977 -2.334 1.00 1.31 C ATOM 2036 CD LYS B 16 6.191 13.099 -3.317 1.00 1.30 C ATOM 2037 CE LYS B 16 6.166 11.942 -4.304 1.00 1.45 C ATOM 2038 NZ LYS B 16 5.272 12.211 -5.460 1.00 1.65 N ATOM 0 H LYS B 16 7.995 13.323 0.583 1.00 1.14 H new ATOM 0 HA LYS B 16 5.395 13.037 -0.511 1.00 1.14 H new ATOM 0 HB2 LYS B 16 8.031 11.584 -0.859 1.00 1.22 H new ATOM 0 HB3 LYS B 16 6.587 11.075 -1.711 1.00 1.22 H new ATOM 0 HG2 LYS B 16 7.528 13.944 -1.865 1.00 1.31 H new ATOM 0 HG3 LYS B 16 8.256 12.712 -2.875 1.00 1.31 H new ATOM 0 HD2 LYS B 16 5.249 13.130 -2.769 1.00 1.30 H new ATOM 0 HD3 LYS B 16 6.274 14.040 -3.861 1.00 1.30 H new ATOM 0 HE2 LYS B 16 7.177 11.752 -4.665 1.00 1.45 H new ATOM 0 HE3 LYS B 16 5.835 11.038 -3.793 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 5.286 11.396 -6.106 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 4.302 12.366 -5.120 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 5.602 13.059 -5.964 1.00 1.65 H new ATOM 2052 N ILE B 17 6.417 10.695 1.573 1.00 0.98 N ATOM 2053 CA ILE B 17 5.967 9.559 2.373 1.00 0.92 C ATOM 2054 C ILE B 17 5.015 10.001 3.482 1.00 0.89 C ATOM 2055 O ILE B 17 4.013 9.337 3.754 1.00 0.86 O ATOM 2056 CB ILE B 17 7.159 8.803 2.993 1.00 0.94 C ATOM 2057 CG1 ILE B 17 8.077 8.280 1.885 1.00 1.00 C ATOM 2058 CG2 ILE B 17 6.672 7.652 3.870 1.00 1.00 C ATOM 2059 CD1 ILE B 17 9.272 7.505 2.390 1.00 0.96 C ATOM 0 H ILE B 17 7.374 10.992 1.763 1.00 0.98 H new ATOM 0 HA ILE B 17 5.435 8.889 1.698 1.00 0.92 H new ATOM 0 HB ILE B 17 7.721 9.493 3.622 1.00 0.94 H new ATOM 0 HG12 ILE B 17 7.497 7.641 1.219 1.00 1.00 H new ATOM 0 HG13 ILE B 17 8.429 9.123 1.291 1.00 1.00 H new ATOM 0 HG21 ILE B 17 7.529 7.132 4.297 1.00 1.00 H new ATOM 0 HG22 ILE B 17 6.049 8.045 4.673 1.00 1.00 H new ATOM 0 HG23 ILE B 17 6.090 6.956 3.266 1.00 1.00 H new ATOM 0 HD11 ILE B 17 9.872 7.169 1.544 1.00 0.96 H new ATOM 0 HD12 ILE B 17 9.877 8.146 3.032 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.931 6.640 2.959 1.00 0.96 H new ATOM 2071 N ASP B 18 5.327 11.123 4.119 1.00 0.94 N ATOM 2072 CA ASP B 18 4.500 11.650 5.205 1.00 0.99 C ATOM 2073 C ASP B 18 3.073 11.939 4.727 1.00 0.96 C ATOM 2074 O ASP B 18 2.095 11.591 5.393 1.00 0.94 O ATOM 2075 CB ASP B 18 5.139 12.916 5.769 1.00 1.14 C ATOM 2076 CG ASP B 18 4.464 13.394 7.035 1.00 1.29 C ATOM 2077 OD1 ASP B 18 4.755 12.834 8.114 1.00 1.88 O ATOM 2078 OD2 ASP B 18 3.668 14.356 6.970 1.00 1.59 O ATOM 0 H ASP B 18 6.148 11.689 3.904 1.00 0.94 H new ATOM 0 HA ASP B 18 4.440 10.896 5.990 1.00 0.99 H new ATOM 0 HB2 ASP B 18 6.193 12.727 5.973 1.00 1.14 H new ATOM 0 HB3 ASP B 18 5.096 13.705 5.019 1.00 1.14 H new ATOM 2083 N SER B 19 2.961 12.562 3.567 1.00 0.98 N ATOM 2084 CA SER B 19 1.663 12.887 2.989 1.00 0.99 C ATOM 2085 C SER B 19 0.972 11.626 2.472 1.00 0.91 C ATOM 2086 O SER B 19 -0.259 11.534 2.465 1.00 0.90 O ATOM 2087 CB SER B 19 1.828 13.896 1.854 1.00 1.10 C ATOM 2088 OG SER B 19 2.731 14.926 2.222 1.00 1.21 O ATOM 0 H SER B 19 3.757 12.856 3.001 1.00 0.98 H new ATOM 0 HA SER B 19 1.041 13.328 3.768 1.00 0.99 H new ATOM 0 HB2 SER B 19 2.193 13.389 0.961 1.00 1.10 H new ATOM 0 HB3 SER B 19 0.860 14.328 1.602 1.00 1.10 H new ATOM 0 HG SER B 19 3.651 14.624 2.071 1.00 1.21 H new ATOM 2094 N LEU B 20 1.784 10.661 2.047 1.00 0.87 N ATOM 2095 CA LEU B 20 1.299 9.394 1.508 1.00 0.84 C ATOM 2096 C LEU B 20 0.435 8.636 2.517 1.00 0.80 C ATOM 2097 O LEU B 20 -0.678 8.228 2.192 1.00 0.79 O ATOM 2098 CB LEU B 20 2.495 8.539 1.078 1.00 0.86 C ATOM 2099 CG LEU B 20 2.188 7.090 0.712 1.00 0.91 C ATOM 2100 CD1 LEU B 20 1.280 7.026 -0.509 1.00 1.07 C ATOM 2101 CD2 LEU B 20 3.491 6.343 0.478 1.00 1.35 C ATOM 0 H LEU B 20 2.801 10.737 2.067 1.00 0.87 H new ATOM 0 HA LEU B 20 0.667 9.608 0.646 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.967 9.017 0.220 1.00 0.86 H new ATOM 0 HB3 LEU B 20 3.226 8.541 1.886 1.00 0.86 H new ATOM 0 HG LEU B 20 1.657 6.612 1.535 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.073 5.984 -0.754 1.00 1.07 H new ATOM 0 HD12 LEU B 20 0.344 7.541 -0.294 1.00 1.07 H new ATOM 0 HD13 LEU B 20 1.773 7.506 -1.354 1.00 1.07 H new ATOM 0 HD21 LEU B 20 3.275 5.307 0.216 1.00 1.35 H new ATOM 0 HD22 LEU B 20 4.040 6.816 -0.336 1.00 1.35 H new ATOM 0 HD23 LEU B 20 4.094 6.370 1.386 1.00 1.35 H new ATOM 2113 N ILE B 21 0.940 8.453 3.737 1.00 0.81 N ATOM 2114 CA ILE B 21 0.184 7.738 4.766 1.00 0.82 C ATOM 2115 C ILE B 21 -1.092 8.491 5.122 1.00 0.81 C ATOM 2116 O ILE B 21 -2.127 7.883 5.394 1.00 0.81 O ATOM 2117 CB ILE B 21 1.018 7.478 6.045 1.00 0.88 C ATOM 2118 CG1 ILE B 21 1.863 8.702 6.412 1.00 1.19 C ATOM 2119 CG2 ILE B 21 1.903 6.250 5.862 1.00 1.21 C ATOM 2120 CD1 ILE B 21 2.452 8.633 7.802 1.00 1.38 C ATOM 0 H ILE B 21 1.857 8.785 4.035 1.00 0.81 H new ATOM 0 HA ILE B 21 -0.075 6.768 4.342 1.00 0.82 H new ATOM 0 HB ILE B 21 0.327 7.290 6.867 1.00 0.88 H new ATOM 0 HG12 ILE B 21 2.671 8.806 5.688 1.00 1.19 H new ATOM 0 HG13 ILE B 21 1.246 9.597 6.331 1.00 1.19 H new ATOM 0 HG21 ILE B 21 2.483 6.081 6.769 1.00 1.21 H new ATOM 0 HG22 ILE B 21 1.279 5.379 5.662 1.00 1.21 H new ATOM 0 HG23 ILE B 21 2.581 6.411 5.024 1.00 1.21 H new ATOM 0 HD11 ILE B 21 3.038 9.532 7.994 1.00 1.38 H new ATOM 0 HD12 ILE B 21 1.648 8.560 8.535 1.00 1.38 H new ATOM 0 HD13 ILE B 21 3.096 7.757 7.881 1.00 1.38 H new ATOM 2132 N GLU B 22 -1.023 9.820 5.090 1.00 0.83 N ATOM 2133 CA GLU B 22 -2.182 10.653 5.385 1.00 0.86 C ATOM 2134 C GLU B 22 -3.281 10.427 4.351 1.00 0.83 C ATOM 2135 O GLU B 22 -4.468 10.436 4.672 1.00 0.84 O ATOM 2136 CB GLU B 22 -1.792 12.127 5.389 1.00 0.94 C ATOM 2137 CG GLU B 22 -1.124 12.589 6.671 1.00 1.11 C ATOM 2138 CD GLU B 22 -0.906 14.088 6.711 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -1.425 14.801 5.826 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -0.224 14.568 7.643 1.00 1.95 O ATOM 0 H GLU B 22 -0.176 10.341 4.863 1.00 0.83 H new ATOM 0 HA GLU B 22 -2.554 10.375 6.371 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -1.119 12.316 4.553 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -2.685 12.728 5.221 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -1.737 12.293 7.522 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -0.164 12.084 6.778 1.00 1.11 H new ATOM 2147 N ALA B 23 -2.867 10.221 3.107 1.00 0.82 N ATOM 2148 CA ALA B 23 -3.799 9.994 2.011 1.00 0.83 C ATOM 2149 C ALA B 23 -4.578 8.698 2.203 1.00 0.79 C ATOM 2150 O ALA B 23 -5.787 8.662 2.011 1.00 0.80 O ATOM 2151 CB ALA B 23 -3.056 9.969 0.684 1.00 0.86 C ATOM 0 H ALA B 23 -1.885 10.207 2.831 1.00 0.82 H new ATOM 0 HA ALA B 23 -4.514 10.817 2.004 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -3.765 9.799 -0.127 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -2.552 10.923 0.531 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -2.318 9.167 0.695 1.00 0.86 H new ATOM 2157 N ILE B 24 -3.881 7.641 2.603 1.00 0.78 N ATOM 2158 CA ILE B 24 -4.521 6.345 2.816 1.00 0.78 C ATOM 2159 C ILE B 24 -5.486 6.416 3.996 1.00 0.74 C ATOM 2160 O ILE B 24 -6.559 5.812 3.975 1.00 0.74 O ATOM 2161 CB ILE B 24 -3.481 5.228 3.048 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -2.284 5.433 2.109 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.119 3.861 2.833 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -1.360 4.238 1.994 1.00 0.89 C ATOM 0 H ILE B 24 -2.878 7.653 2.786 1.00 0.78 H new ATOM 0 HA ILE B 24 -5.078 6.101 1.912 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.125 5.274 4.077 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -2.657 5.684 1.116 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -1.707 6.289 2.459 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.375 3.082 3.000 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -4.944 3.730 3.533 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -4.495 3.791 1.812 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -0.544 4.473 1.311 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -0.953 3.997 2.976 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -1.917 3.383 1.612 1.00 0.89 H new ATOM 2176 N LYS B 25 -5.107 7.174 5.018 1.00 0.74 N ATOM 2177 CA LYS B 25 -5.948 7.342 6.193 1.00 0.75 C ATOM 2178 C LYS B 25 -7.193 8.144 5.827 1.00 0.78 C ATOM 2179 O LYS B 25 -8.265 7.954 6.396 1.00 0.80 O ATOM 2180 CB LYS B 25 -5.174 8.048 7.310 1.00 0.79 C ATOM 2181 CG LYS B 25 -5.774 7.849 8.695 1.00 0.88 C ATOM 2182 CD LYS B 25 -5.614 6.414 9.163 1.00 1.17 C ATOM 2183 CE LYS B 25 -6.254 6.185 10.524 1.00 1.48 C ATOM 2184 NZ LYS B 25 -5.653 7.049 11.572 1.00 1.72 N ATOM 0 H LYS B 25 -4.223 7.681 5.055 1.00 0.74 H new ATOM 0 HA LYS B 25 -6.250 6.358 6.552 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -4.147 7.684 7.314 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.133 9.115 7.092 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -5.290 8.521 9.404 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -6.832 8.112 8.677 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -6.064 5.742 8.433 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -4.554 6.165 9.214 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -7.324 6.383 10.460 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -6.140 5.139 10.807 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -5.993 6.747 12.508 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -4.617 6.968 11.537 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -5.928 8.038 11.406 1.00 1.72 H new ATOM 2198 N LYS B 26 -7.034 9.048 4.872 1.00 0.80 N ATOM 2199 CA LYS B 26 -8.140 9.870 4.403 1.00 0.85 C ATOM 2200 C LYS B 26 -9.079 9.036 3.535 1.00 0.83 C ATOM 2201 O LYS B 26 -10.297 9.209 3.572 1.00 0.86 O ATOM 2202 CB LYS B 26 -7.615 11.062 3.601 1.00 0.91 C ATOM 2203 CG LYS B 26 -8.058 12.409 4.138 1.00 1.01 C ATOM 2204 CD LYS B 26 -9.557 12.607 3.981 1.00 1.13 C ATOM 2205 CE LYS B 26 -10.015 13.907 4.617 1.00 1.38 C ATOM 2206 NZ LYS B 26 -11.495 13.986 4.710 1.00 1.39 N ATOM 0 H LYS B 26 -6.146 9.232 4.405 1.00 0.80 H new ATOM 0 HA LYS B 26 -8.688 10.243 5.268 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -6.526 11.027 3.589 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -7.948 10.967 2.568 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -7.788 12.488 5.191 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -7.528 13.203 3.612 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -9.816 12.607 2.922 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.086 11.771 4.438 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -9.583 13.995 5.614 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -9.642 14.748 4.033 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -11.809 14.943 4.450 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -11.921 13.294 4.061 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -11.793 13.776 5.684 1.00 1.39 H new ATOM 2220 N ILE B 27 -8.496 8.129 2.761 1.00 0.80 N ATOM 2221 CA ILE B 27 -9.260 7.258 1.875 1.00 0.81 C ATOM 2222 C ILE B 27 -10.285 6.431 2.652 1.00 0.80 C ATOM 2223 O ILE B 27 -11.473 6.427 2.325 1.00 0.82 O ATOM 2224 CB ILE B 27 -8.326 6.311 1.081 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -7.537 7.093 0.027 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -9.117 5.184 0.430 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -8.406 7.891 -0.921 1.00 1.04 C ATOM 0 H ILE B 27 -7.488 7.977 2.729 1.00 0.80 H new ATOM 0 HA ILE B 27 -9.790 7.903 1.174 1.00 0.81 H new ATOM 0 HB ILE B 27 -7.620 5.867 1.783 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -6.849 7.771 0.531 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -6.931 6.395 -0.551 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -8.438 4.534 -0.121 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -9.628 4.606 1.200 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -9.853 5.605 -0.256 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -7.775 8.417 -1.638 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -9.077 7.217 -1.454 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -8.993 8.614 -0.355 1.00 1.04 H new ATOM 2239 N ILE B 28 -9.818 5.749 3.690 1.00 0.78 N ATOM 2240 CA ILE B 28 -10.695 4.921 4.514 1.00 0.78 C ATOM 2241 C ILE B 28 -11.785 5.774 5.167 1.00 0.81 C ATOM 2242 O ILE B 28 -12.922 5.329 5.333 1.00 0.84 O ATOM 2243 CB ILE B 28 -9.909 4.129 5.591 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -10.811 3.078 6.252 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -9.318 5.053 6.647 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -11.036 1.849 5.400 1.00 0.97 C ATOM 0 H ILE B 28 -8.841 5.751 3.982 1.00 0.78 H new ATOM 0 HA ILE B 28 -11.164 4.193 3.853 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.084 3.624 5.089 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -10.367 2.776 7.200 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.775 3.532 6.482 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -8.775 4.462 7.384 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -8.635 5.758 6.173 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.120 5.601 7.141 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.682 1.151 5.932 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.509 2.138 4.462 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -10.079 1.371 5.192 1.00 0.97 H new ATOM 2258 N ALA B 29 -11.432 7.012 5.511 1.00 0.82 N ATOM 2259 CA ALA B 29 -12.368 7.930 6.138 1.00 0.87 C ATOM 2260 C ALA B 29 -13.502 8.294 5.179 1.00 0.90 C ATOM 2261 O ALA B 29 -14.673 8.274 5.563 1.00 0.93 O ATOM 2262 CB ALA B 29 -11.641 9.183 6.607 1.00 0.90 C ATOM 0 H ALA B 29 -10.500 7.399 5.363 1.00 0.82 H new ATOM 0 HA ALA B 29 -12.806 7.435 7.004 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -12.353 9.863 7.075 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -10.872 8.909 7.330 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -11.177 9.676 5.753 1.00 0.90 H new ATOM 2268 N GLU B 30 -13.144 8.614 3.934 1.00 0.91 N ATOM 2269 CA GLU B 30 -14.127 8.991 2.914 1.00 0.95 C ATOM 2270 C GLU B 30 -15.133 7.875 2.660 1.00 0.95 C ATOM 2271 O GLU B 30 -16.344 8.105 2.663 1.00 0.96 O ATOM 2272 CB GLU B 30 -13.425 9.347 1.601 1.00 1.00 C ATOM 2273 CG GLU B 30 -12.628 10.639 1.664 1.00 1.02 C ATOM 2274 CD GLU B 30 -13.409 11.791 2.263 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -14.546 12.047 1.821 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -12.883 12.454 3.180 1.00 1.18 O ATOM 0 H GLU B 30 -12.178 8.620 3.606 1.00 0.91 H new ATOM 0 HA GLU B 30 -14.666 9.860 3.291 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -12.757 8.532 1.324 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -14.172 9.429 0.811 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -11.726 10.474 2.253 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.306 10.910 0.658 1.00 1.02 H new ATOM 2283 N PHE B 31 -14.619 6.665 2.452 1.00 0.96 N ATOM 2284 CA PHE B 31 -15.457 5.497 2.180 1.00 0.99 C ATOM 2285 C PHE B 31 -16.526 5.310 3.250 1.00 0.97 C ATOM 2286 O PHE B 31 -17.664 4.959 2.947 1.00 1.01 O ATOM 2287 CB PHE B 31 -14.594 4.235 2.086 1.00 1.01 C ATOM 2288 CG PHE B 31 -14.054 3.968 0.711 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -12.995 4.709 0.210 1.00 1.68 C ATOM 2290 CD2 PHE B 31 -14.604 2.972 -0.079 1.00 1.50 C ATOM 2291 CE1 PHE B 31 -12.499 4.464 -1.053 1.00 1.83 C ATOM 2292 CE2 PHE B 31 -14.110 2.723 -1.344 1.00 1.59 C ATOM 2293 CZ PHE B 31 -13.057 3.470 -1.831 1.00 1.37 C ATOM 0 H PHE B 31 -13.619 6.466 2.467 1.00 0.96 H new ATOM 0 HA PHE B 31 -15.958 5.668 1.227 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -13.760 4.324 2.782 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -15.186 3.377 2.406 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -12.554 5.487 0.816 1.00 1.68 H new ATOM 0 HD2 PHE B 31 -15.428 2.384 0.298 1.00 1.50 H new ATOM 0 HE1 PHE B 31 -11.675 5.049 -1.433 1.00 1.83 H new ATOM 0 HE2 PHE B 31 -14.547 1.945 -1.952 1.00 1.59 H new ATOM 0 HZ PHE B 31 -12.670 3.277 -2.820 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.148 5.556 4.496 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.063 5.415 5.625 1.00 0.93 C ATOM 2305 C ASP B 32 -18.095 6.542 5.662 1.00 0.93 C ATOM 2306 O ASP B 32 -19.276 6.310 5.927 1.00 0.96 O ATOM 2307 CB ASP B 32 -16.261 5.392 6.928 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.109 5.655 8.158 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -17.765 4.715 8.650 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -17.100 6.801 8.656 1.00 1.54 O ATOM 0 H ASP B 32 -15.208 5.856 4.754 1.00 0.94 H new ATOM 0 HA ASP B 32 -17.607 4.478 5.508 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -15.775 4.422 7.031 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -15.470 6.140 6.873 1.00 0.94 H new ATOM 2315 N VAL B 33 -17.647 7.758 5.374 1.00 0.92 N ATOM 2316 CA VAL B 33 -18.525 8.922 5.397 1.00 0.93 C ATOM 2317 C VAL B 33 -19.586 8.852 4.300 1.00 0.94 C ATOM 2318 O VAL B 33 -20.780 8.958 4.583 1.00 0.95 O ATOM 2319 CB VAL B 33 -17.716 10.231 5.247 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -18.629 11.427 4.994 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -16.863 10.470 6.482 1.00 0.92 C ATOM 0 H VAL B 33 -16.680 7.964 5.122 1.00 0.92 H new ATOM 0 HA VAL B 33 -19.027 8.919 6.365 1.00 0.93 H new ATOM 0 HB VAL B 33 -17.063 10.121 4.381 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -18.027 12.330 4.894 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -19.195 11.265 4.077 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -19.318 11.542 5.830 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -16.299 11.395 6.361 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -17.506 10.548 7.359 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -16.171 9.638 6.613 1.00 0.92 H new ATOM 2331 N VAL B 34 -19.152 8.646 3.058 1.00 0.96 N ATOM 2332 CA VAL B 34 -20.076 8.589 1.924 1.00 0.99 C ATOM 2333 C VAL B 34 -21.078 7.442 2.062 1.00 1.00 C ATOM 2334 O VAL B 34 -22.249 7.588 1.708 1.00 1.02 O ATOM 2335 CB VAL B 34 -19.316 8.450 0.583 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -20.267 8.568 -0.602 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -18.210 9.491 0.483 1.00 1.13 C ATOM 0 H VAL B 34 -18.171 8.516 2.811 1.00 0.96 H new ATOM 0 HA VAL B 34 -20.625 9.531 1.926 1.00 0.99 H new ATOM 0 HB VAL B 34 -18.864 7.459 0.556 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -19.705 8.467 -1.531 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.019 7.781 -0.545 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -20.758 9.541 -0.579 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -17.688 9.377 -0.467 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -18.644 10.489 0.541 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -17.506 9.353 1.303 1.00 1.13 H new ATOM 2347 N LYS B 35 -20.626 6.315 2.599 1.00 1.01 N ATOM 2348 CA LYS B 35 -21.487 5.147 2.769 1.00 1.05 C ATOM 2349 C LYS B 35 -22.684 5.448 3.668 1.00 1.03 C ATOM 2350 O LYS B 35 -23.824 5.140 3.321 1.00 1.05 O ATOM 2351 CB LYS B 35 -20.693 3.983 3.354 1.00 1.08 C ATOM 2352 CG LYS B 35 -21.494 2.697 3.489 1.00 1.13 C ATOM 2353 CD LYS B 35 -20.635 1.561 4.014 1.00 1.32 C ATOM 2354 CE LYS B 35 -21.405 0.255 4.038 1.00 1.51 C ATOM 2355 NZ LYS B 35 -20.491 -0.914 4.077 1.00 1.86 N ATOM 0 H LYS B 35 -19.668 6.183 2.925 1.00 1.01 H new ATOM 0 HA LYS B 35 -21.863 4.878 1.782 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -19.825 3.794 2.722 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -20.316 4.270 4.336 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -22.335 2.860 4.162 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -21.910 2.422 2.520 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -19.749 1.452 3.388 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -20.287 1.799 5.019 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -22.061 0.234 4.908 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -22.042 0.191 3.156 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -21.050 -1.791 4.093 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -19.882 -0.907 3.234 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -19.900 -0.864 4.932 1.00 1.86 H new ATOM 2369 N GLU B 36 -22.428 6.062 4.812 1.00 1.00 N ATOM 2370 CA GLU B 36 -23.498 6.380 5.747 1.00 1.00 C ATOM 2371 C GLU B 36 -24.388 7.499 5.212 1.00 0.96 C ATOM 2372 O GLU B 36 -25.599 7.505 5.439 1.00 0.97 O ATOM 2373 CB GLU B 36 -22.926 6.776 7.105 1.00 1.01 C ATOM 2374 CG GLU B 36 -23.848 6.433 8.263 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.366 5.009 8.190 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -23.558 4.071 8.347 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -25.583 4.816 7.988 1.00 1.40 O ATOM 0 H GLU B 36 -21.497 6.349 5.115 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.108 5.484 5.866 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -21.969 6.275 7.250 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -22.728 7.848 7.111 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.314 6.574 9.203 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -24.691 7.123 8.269 1.00 1.15 H new ATOM 2384 N SER B 37 -23.803 8.434 4.485 1.00 0.00 N ATOM 2385 CA SER B 37 -24.535 9.573 3.938 1.00 0.00 C ATOM 2386 C SER B 37 -25.562 9.121 2.926 1.00 0.00 C ATOM 2387 O SER B 37 -26.704 9.621 2.923 1.00 0.00 O ATOM 2388 CB SER B 37 -23.562 10.616 3.335 1.00 0.00 C ATOM 2389 OG SER B 37 -22.727 11.235 4.320 1.00 0.00 O ATOM 0 H SER B 37 -22.809 8.430 4.255 1.00 0.00 H new ATOM 0 HA SER B 37 -25.072 10.057 4.754 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.935 10.130 2.588 1.00 0.00 H new ATOM 0 HB3 SER B 37 -24.136 11.385 2.818 1.00 0.00 H new ATOM 0 HG SER B 37 -21.995 10.628 4.557 1.00 0.00 H new ATOM 2395 N VAL B 38 -25.201 8.213 2.027 1.00 0.96 N ATOM 2396 CA VAL B 38 -26.129 7.738 1.002 1.00 1.00 C ATOM 2397 C VAL B 38 -27.196 6.835 1.608 1.00 1.02 C ATOM 2398 O VAL B 38 -28.309 6.752 1.091 1.00 1.04 O ATOM 2399 CB VAL B 38 -25.417 6.999 -0.153 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -24.458 7.933 -0.874 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -24.684 5.762 0.349 1.00 1.07 C ATOM 0 H VAL B 38 -24.274 7.790 1.985 1.00 0.96 H new ATOM 0 HA VAL B 38 -26.600 8.627 0.583 1.00 1.00 H new ATOM 0 HB VAL B 38 -26.180 6.671 -0.859 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -23.966 7.395 -1.684 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.012 8.778 -1.283 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -23.708 8.297 -0.172 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -24.194 5.265 -0.488 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -23.936 6.056 1.085 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -25.397 5.078 0.810 1.00 1.07 H new ATOM 2411 N ASN B 39 -26.852 6.164 2.703 1.00 1.03 N ATOM 2412 CA ASN B 39 -27.791 5.283 3.383 1.00 1.07 C ATOM 2413 C ASN B 39 -28.937 6.099 3.981 1.00 1.05 C ATOM 2414 O ASN B 39 -30.113 5.829 3.726 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.081 4.489 4.481 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.048 3.710 5.357 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -29.017 3.124 4.871 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -27.796 3.708 6.655 1.00 1.25 N ATOM 0 H ASN B 39 -25.930 6.214 3.137 1.00 1.03 H new ATOM 0 HA ASN B 39 -28.198 4.581 2.656 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -26.373 3.798 4.024 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -26.503 5.173 5.103 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -28.415 3.209 7.294 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -26.983 4.206 7.017 1.00 1.25 H new ATOM 2425 N GLU B 40 -28.576 7.121 4.749 1.00 1.02 N ATOM 2426 CA GLU B 40 -29.556 7.990 5.385 1.00 1.02 C ATOM 2427 C GLU B 40 -30.388 8.712 4.332 1.00 0.98 C ATOM 2428 O GLU B 40 -31.598 8.917 4.505 1.00 1.01 O ATOM 2429 CB GLU B 40 -28.843 9.004 6.281 1.00 1.04 C ATOM 2430 CG GLU B 40 -29.135 8.816 7.760 1.00 1.24 C ATOM 2431 CD GLU B 40 -30.557 9.182 8.118 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -30.912 10.375 8.022 1.00 2.04 O ATOM 2433 OE2 GLU B 40 -31.335 8.282 8.489 1.00 1.92 O ATOM 0 H GLU B 40 -27.606 7.368 4.946 1.00 1.02 H new ATOM 0 HA GLU B 40 -30.224 7.382 5.995 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -27.768 8.928 6.118 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -29.140 10.010 5.985 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -28.950 7.778 8.035 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -28.447 9.428 8.344 1.00 1.24 H new ATOM 2440 N LEU B 41 -29.731 9.077 3.237 1.00 0.95 N ATOM 2441 CA LEU B 41 -30.382 9.776 2.143 1.00 0.94 C ATOM 2442 C LEU B 41 -31.433 8.890 1.485 1.00 0.95 C ATOM 2443 O LEU B 41 -32.508 9.365 1.124 1.00 0.97 O ATOM 2444 CB LEU B 41 -29.350 10.233 1.104 1.00 0.92 C ATOM 2445 CG LEU B 41 -29.923 11.008 -0.085 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -30.411 12.384 0.354 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -28.882 11.131 -1.188 1.00 1.01 C ATOM 0 H LEU B 41 -28.738 8.897 3.086 1.00 0.95 H new ATOM 0 HA LEU B 41 -30.878 10.656 2.552 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -28.609 10.858 1.602 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -28.825 9.356 0.726 1.00 0.92 H new ATOM 0 HG LEU B 41 -30.777 10.456 -0.478 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -30.814 12.918 -0.506 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -31.189 12.270 1.108 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -29.578 12.948 0.774 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -29.304 11.684 -2.027 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -28.009 11.660 -0.807 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -28.586 10.136 -1.522 1.00 1.01 H new ATOM 2459 N SER B 42 -31.125 7.603 1.348 1.00 0.97 N ATOM 2460 CA SER B 42 -32.042 6.647 0.733 1.00 1.01 C ATOM 2461 C SER B 42 -33.345 6.545 1.522 1.00 1.02 C ATOM 2462 O SER B 42 -34.424 6.438 0.940 1.00 1.03 O ATOM 2463 CB SER B 42 -31.371 5.272 0.617 1.00 1.07 C ATOM 2464 OG SER B 42 -32.100 4.411 -0.245 1.00 1.56 O ATOM 0 H SER B 42 -30.242 7.196 1.657 1.00 0.97 H new ATOM 0 HA SER B 42 -32.287 7.005 -0.267 1.00 1.01 H new ATOM 0 HB2 SER B 42 -30.355 5.392 0.240 1.00 1.07 H new ATOM 0 HB3 SER B 42 -31.293 4.819 1.605 1.00 1.07 H new ATOM 0 HG SER B 42 -31.647 3.544 -0.300 1.00 1.56 H new ATOM 2470 N GLU B 43 -33.234 6.590 2.843 1.00 1.04 N ATOM 2471 CA GLU B 43 -34.397 6.508 3.717 1.00 1.07 C ATOM 2472 C GLU B 43 -35.350 7.675 3.456 1.00 1.05 C ATOM 2473 O GLU B 43 -36.569 7.503 3.419 1.00 1.10 O ATOM 2474 CB GLU B 43 -33.940 6.501 5.181 1.00 1.12 C ATOM 2475 CG GLU B 43 -34.950 5.904 6.147 1.00 1.24 C ATOM 2476 CD GLU B 43 -35.899 6.936 6.715 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -35.428 7.869 7.390 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -37.120 6.815 6.494 1.00 1.92 O ATOM 0 H GLU B 43 -32.345 6.683 3.335 1.00 1.04 H new ATOM 0 HA GLU B 43 -34.934 5.583 3.508 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -33.008 5.941 5.256 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -33.723 7.524 5.487 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.524 5.132 5.634 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -34.419 5.416 6.965 1.00 1.24 H new ATOM 2485 N LYS B 44 -34.787 8.855 3.233 1.00 1.00 N ATOM 2486 CA LYS B 44 -35.588 10.053 2.989 1.00 1.00 C ATOM 2487 C LYS B 44 -36.161 10.062 1.571 1.00 0.98 C ATOM 2488 O LYS B 44 -37.308 10.456 1.354 1.00 1.03 O ATOM 2489 CB LYS B 44 -34.734 11.307 3.216 1.00 1.01 C ATOM 2490 CG LYS B 44 -33.895 11.256 4.489 1.00 1.06 C ATOM 2491 CD LYS B 44 -34.762 11.113 5.736 1.00 1.17 C ATOM 2492 CE LYS B 44 -33.919 10.885 6.981 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.391 9.497 7.054 1.00 1.35 N ATOM 0 H LYS B 44 -33.779 9.011 3.215 1.00 1.00 H new ATOM 0 HA LYS B 44 -36.423 10.049 3.689 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -34.072 11.445 2.361 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -35.388 12.178 3.257 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -33.200 10.419 4.432 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -33.296 12.163 4.565 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -35.366 12.011 5.865 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -35.453 10.280 5.606 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -33.087 11.589 6.989 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -34.519 11.091 7.867 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -32.999 9.324 8.002 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -34.161 8.823 6.869 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -32.643 9.372 6.342 1.00 1.35 H new ATOM 2507 N ALA B 45 -35.360 9.597 0.623 1.00 0.98 N ATOM 2508 CA ALA B 45 -35.743 9.557 -0.785 1.00 0.99 C ATOM 2509 C ALA B 45 -36.861 8.553 -1.054 1.00 1.01 C ATOM 2510 O ALA B 45 -37.493 8.590 -2.105 1.00 1.03 O ATOM 2511 CB ALA B 45 -34.535 9.220 -1.638 1.00 1.01 C ATOM 0 H ALA B 45 -34.424 9.236 0.807 1.00 0.98 H new ATOM 0 HA ALA B 45 -36.121 10.545 -1.047 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -34.827 9.192 -2.688 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -33.766 9.979 -1.496 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -34.142 8.247 -1.344 1.00 1.01 H new ATOM 2517 N LYS B 46 -37.094 7.669 -0.095 1.00 1.04 N ATOM 2518 CA LYS B 46 -38.131 6.646 -0.199 1.00 1.10 C ATOM 2519 C LYS B 46 -39.527 7.274 -0.315 1.00 1.12 C ATOM 2520 O LYS B 46 -40.465 6.638 -0.794 1.00 1.18 O ATOM 2521 CB LYS B 46 -38.050 5.736 1.033 1.00 1.18 C ATOM 2522 CG LYS B 46 -39.155 4.699 1.126 1.00 1.46 C ATOM 2523 CD LYS B 46 -39.254 4.114 2.530 1.00 1.98 C ATOM 2524 CE LYS B 46 -39.432 5.203 3.579 1.00 2.66 C ATOM 2525 NZ LYS B 46 -40.035 4.683 4.833 1.00 3.40 N ATOM 0 H LYS B 46 -36.570 7.639 0.780 1.00 1.04 H new ATOM 0 HA LYS B 46 -37.965 6.061 -1.104 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -37.088 5.223 1.027 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.075 6.356 1.929 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -40.107 5.154 0.852 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -38.966 3.899 0.410 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -40.094 3.421 2.578 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -38.354 3.540 2.750 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -38.464 5.651 3.802 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -40.064 5.994 3.175 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -40.137 5.460 5.517 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -40.971 4.278 4.627 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -39.420 3.946 5.234 1.00 3.40 H new ATOM 2539 N THR B 47 -39.646 8.525 0.101 1.00 1.10 N ATOM 2540 CA THR B 47 -40.918 9.225 0.059 1.00 1.16 C ATOM 2541 C THR B 47 -41.315 9.588 -1.373 1.00 1.17 C ATOM 2542 O THR B 47 -42.487 9.519 -1.736 1.00 1.27 O ATOM 2543 CB THR B 47 -40.874 10.491 0.932 1.00 1.24 C ATOM 2544 OG1 THR B 47 -39.722 11.276 0.593 1.00 1.54 O ATOM 2545 CG2 THR B 47 -40.814 10.122 2.409 1.00 1.41 C ATOM 0 H THR B 47 -38.873 9.077 0.473 1.00 1.10 H new ATOM 0 HA THR B 47 -41.673 8.548 0.457 1.00 1.16 H new ATOM 0 HB THR B 47 -41.780 11.068 0.747 1.00 1.24 H new ATOM 0 HG1 THR B 47 -38.979 11.041 1.188 1.00 1.54 H new ATOM 0 HG21 THR B 47 -40.783 11.031 3.010 1.00 1.41 H new ATOM 0 HG22 THR B 47 -41.697 9.541 2.675 1.00 1.41 H new ATOM 0 HG23 THR B 47 -39.919 9.530 2.600 1.00 1.41 H new ATOM 2553 N ASP B 48 -40.331 9.933 -2.197 1.00 1.14 N ATOM 2554 CA ASP B 48 -40.601 10.327 -3.577 1.00 1.18 C ATOM 2555 C ASP B 48 -40.170 9.228 -4.550 1.00 1.14 C ATOM 2556 O ASP B 48 -39.046 8.745 -4.481 1.00 1.10 O ATOM 2557 CB ASP B 48 -39.878 11.640 -3.900 1.00 1.23 C ATOM 2558 CG ASP B 48 -40.191 12.149 -5.290 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -41.265 12.756 -5.480 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -39.360 11.953 -6.200 1.00 1.43 O ATOM 0 H ASP B 48 -39.345 9.948 -1.936 1.00 1.14 H new ATOM 0 HA ASP B 48 -41.675 10.478 -3.690 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -40.161 12.396 -3.168 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -38.802 11.491 -3.805 1.00 1.23 H new ATOM 2565 N PRO B 49 -41.061 8.833 -5.483 1.00 1.20 N ATOM 2566 CA PRO B 49 -40.778 7.772 -6.472 1.00 1.22 C ATOM 2567 C PRO B 49 -39.585 8.094 -7.368 1.00 1.24 C ATOM 2568 O PRO B 49 -38.817 7.205 -7.743 1.00 1.24 O ATOM 2569 CB PRO B 49 -42.063 7.698 -7.306 1.00 1.33 C ATOM 2570 CG PRO B 49 -42.782 8.978 -7.041 1.00 1.36 C ATOM 2571 CD PRO B 49 -42.413 9.383 -5.645 1.00 1.29 C ATOM 0 HA PRO B 49 -40.514 6.835 -5.981 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -41.837 7.587 -8.367 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -42.670 6.840 -7.017 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -42.490 9.744 -7.759 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -43.860 8.846 -7.136 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -42.424 10.466 -5.524 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -43.106 8.973 -4.910 1.00 1.29 H new ATOM 2579 N GLN B 50 -39.419 9.369 -7.691 1.00 1.28 N ATOM 2580 CA GLN B 50 -38.321 9.796 -8.541 1.00 1.33 C ATOM 2581 C GLN B 50 -37.028 9.814 -7.733 1.00 1.22 C ATOM 2582 O GLN B 50 -35.984 9.367 -8.204 1.00 1.22 O ATOM 2583 CB GLN B 50 -38.597 11.184 -9.124 1.00 1.45 C ATOM 2584 CG GLN B 50 -39.975 11.327 -9.753 1.00 1.58 C ATOM 2585 CD GLN B 50 -40.561 12.712 -9.550 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -41.225 13.254 -10.431 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -40.343 13.284 -8.378 1.00 1.66 N ATOM 0 H GLN B 50 -40.030 10.123 -7.377 1.00 1.28 H new ATOM 0 HA GLN B 50 -38.222 9.093 -9.368 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -38.491 11.927 -8.333 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -37.840 11.408 -9.876 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -39.908 11.116 -10.820 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -40.647 10.584 -9.323 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -39.787 12.803 -7.671 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -40.731 14.206 -8.181 1.00 1.66 H new ATOM 2596 N ALA B 51 -37.117 10.323 -6.505 1.00 1.15 N ATOM 2597 CA ALA B 51 -35.962 10.395 -5.616 1.00 1.08 C ATOM 2598 C ALA B 51 -35.459 8.995 -5.286 1.00 1.00 C ATOM 2599 O ALA B 51 -34.253 8.743 -5.272 1.00 0.98 O ATOM 2600 CB ALA B 51 -36.304 11.158 -4.342 1.00 1.09 C ATOM 0 H ALA B 51 -37.979 10.692 -6.104 1.00 1.15 H new ATOM 0 HA ALA B 51 -35.168 10.936 -6.130 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -35.427 11.198 -3.696 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -36.614 12.172 -4.597 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -37.116 10.651 -3.821 1.00 1.09 H new ATOM 2606 N ALA B 52 -36.393 8.085 -5.022 1.00 0.99 N ATOM 2607 CA ALA B 52 -36.054 6.703 -4.713 1.00 0.98 C ATOM 2608 C ALA B 52 -35.375 6.048 -5.907 1.00 1.02 C ATOM 2609 O ALA B 52 -34.515 5.180 -5.753 1.00 1.03 O ATOM 2610 CB ALA B 52 -37.298 5.919 -4.320 1.00 1.03 C ATOM 0 H ALA B 52 -37.394 8.283 -5.017 1.00 0.99 H new ATOM 0 HA ALA B 52 -35.364 6.699 -3.869 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -37.022 4.889 -4.093 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -37.753 6.375 -3.441 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -38.011 5.931 -5.144 1.00 1.03 H new ATOM 2616 N GLU B 53 -35.763 6.483 -7.100 1.00 1.09 N ATOM 2617 CA GLU B 53 -35.201 5.965 -8.333 1.00 1.18 C ATOM 2618 C GLU B 53 -33.768 6.462 -8.516 1.00 1.17 C ATOM 2619 O GLU B 53 -32.956 5.822 -9.188 1.00 1.23 O ATOM 2620 CB GLU B 53 -36.077 6.389 -9.512 1.00 1.28 C ATOM 2621 CG GLU B 53 -35.683 5.759 -10.835 1.00 1.45 C ATOM 2622 CD GLU B 53 -35.547 4.253 -10.755 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -36.519 3.582 -10.352 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -34.463 3.732 -11.096 1.00 1.58 O ATOM 0 H GLU B 53 -36.474 7.202 -7.236 1.00 1.09 H new ATOM 0 HA GLU B 53 -35.176 4.876 -8.286 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -37.113 6.130 -9.293 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -36.034 7.474 -9.611 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -36.429 6.012 -11.588 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -34.737 6.187 -11.168 1.00 1.45 H new ATOM 2631 N LYS B 54 -33.460 7.601 -7.906 1.00 1.13 N ATOM 2632 CA LYS B 54 -32.119 8.173 -7.985 1.00 1.14 C ATOM 2633 C LYS B 54 -31.156 7.333 -7.161 1.00 1.05 C ATOM 2634 O LYS B 54 -30.053 7.014 -7.601 1.00 1.09 O ATOM 2635 CB LYS B 54 -32.107 9.618 -7.479 1.00 1.16 C ATOM 2636 CG LYS B 54 -33.002 10.556 -8.274 1.00 1.32 C ATOM 2637 CD LYS B 54 -33.183 11.893 -7.566 1.00 1.48 C ATOM 2638 CE LYS B 54 -31.953 12.779 -7.695 1.00 1.68 C ATOM 2639 NZ LYS B 54 -31.842 13.387 -9.045 1.00 2.09 N ATOM 0 H LYS B 54 -34.119 8.147 -7.351 1.00 1.13 H new ATOM 0 HA LYS B 54 -31.806 8.173 -9.029 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -32.421 9.630 -6.435 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -31.085 9.995 -7.509 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -32.570 10.722 -9.261 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -33.975 10.089 -8.426 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -34.047 12.410 -7.983 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -33.395 11.719 -6.511 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -31.995 13.568 -6.945 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -31.059 12.190 -7.488 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -31.039 14.048 -9.063 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -31.691 12.639 -9.751 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -32.718 13.901 -9.267 1.00 2.09 H new ATOM 2653 N LEU B 55 -31.597 6.951 -5.972 1.00 0.98 N ATOM 2654 CA LEU B 55 -30.780 6.135 -5.087 1.00 0.95 C ATOM 2655 C LEU B 55 -30.724 4.700 -5.601 1.00 0.99 C ATOM 2656 O LEU B 55 -29.781 3.963 -5.316 1.00 0.99 O ATOM 2657 CB LEU B 55 -31.320 6.166 -3.652 1.00 0.94 C ATOM 2658 CG LEU B 55 -30.704 7.234 -2.739 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -29.183 7.145 -2.759 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -31.169 8.622 -3.154 1.00 1.09 C ATOM 0 H LEU B 55 -32.515 7.193 -5.598 1.00 0.98 H new ATOM 0 HA LEU B 55 -29.772 6.549 -5.076 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -32.398 6.324 -3.691 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -31.157 5.188 -3.200 1.00 0.94 H new ATOM 0 HG LEU B 55 -31.041 7.051 -1.719 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -28.765 7.911 -2.105 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -28.872 6.160 -2.410 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -28.823 7.300 -3.776 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -30.722 9.367 -2.496 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -30.863 8.816 -4.182 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -32.255 8.679 -3.082 1.00 1.09 H new ATOM 2672 N ASN B 56 -31.742 4.323 -6.368 1.00 1.06 N ATOM 2673 CA ASN B 56 -31.830 2.985 -6.948 1.00 1.16 C ATOM 2674 C ASN B 56 -30.649 2.730 -7.878 1.00 1.20 C ATOM 2675 O ASN B 56 -30.002 1.690 -7.814 1.00 1.26 O ATOM 2676 CB ASN B 56 -33.152 2.829 -7.715 1.00 1.26 C ATOM 2677 CG ASN B 56 -33.318 1.461 -8.350 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -32.953 0.438 -7.770 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -33.881 1.433 -9.548 1.00 1.58 N ATOM 0 H ASN B 56 -32.526 4.931 -6.605 1.00 1.06 H new ATOM 0 HA ASN B 56 -31.801 2.252 -6.142 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -33.983 3.009 -7.033 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -33.206 3.592 -8.492 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -34.026 0.542 -10.023 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -34.170 2.303 -9.996 1.00 1.58 H new ATOM 2686 N LYS B 57 -30.363 3.700 -8.735 1.00 1.21 N ATOM 2687 CA LYS B 57 -29.253 3.581 -9.670 1.00 1.29 C ATOM 2688 C LYS B 57 -27.924 3.824 -8.964 1.00 1.21 C ATOM 2689 O LYS B 57 -26.898 3.303 -9.376 1.00 1.26 O ATOM 2690 CB LYS B 57 -29.411 4.524 -10.866 1.00 1.39 C ATOM 2691 CG LYS B 57 -30.080 5.848 -10.536 1.00 1.52 C ATOM 2692 CD LYS B 57 -30.389 6.651 -11.792 1.00 1.62 C ATOM 2693 CE LYS B 57 -31.363 5.913 -12.699 1.00 1.73 C ATOM 2694 NZ LYS B 57 -32.672 5.663 -12.037 1.00 1.81 N ATOM 0 H LYS B 57 -30.882 4.575 -8.802 1.00 1.21 H new ATOM 0 HA LYS B 57 -29.261 2.562 -10.056 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -28.426 4.724 -11.289 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -29.993 4.019 -11.637 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -31.003 5.662 -9.986 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -29.431 6.431 -9.882 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -30.810 7.617 -11.513 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -29.465 6.851 -12.334 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -31.523 6.495 -13.607 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -30.924 4.962 -13.003 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -32.804 4.640 -11.903 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -32.690 6.138 -11.112 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -33.439 6.036 -12.632 1.00 1.81 H new ATOM 2708 N LEU B 58 -27.940 4.642 -7.915 1.00 1.12 N ATOM 2709 CA LEU B 58 -26.727 4.936 -7.157 1.00 1.09 C ATOM 2710 C LEU B 58 -26.183 3.665 -6.497 1.00 1.08 C ATOM 2711 O LEU B 58 -24.999 3.354 -6.625 1.00 1.11 O ATOM 2712 CB LEU B 58 -27.004 6.008 -6.100 1.00 1.06 C ATOM 2713 CG LEU B 58 -26.151 7.279 -6.205 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -24.671 6.947 -6.090 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -26.430 8.008 -7.517 1.00 1.40 C ATOM 0 H LEU B 58 -28.777 5.112 -7.571 1.00 1.12 H new ATOM 0 HA LEU B 58 -25.974 5.315 -7.848 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -28.055 6.291 -6.162 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -26.850 5.569 -5.114 1.00 1.06 H new ATOM 0 HG LEU B 58 -26.422 7.936 -5.379 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -24.086 7.863 -6.167 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -24.478 6.473 -5.128 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -24.387 6.266 -6.893 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -25.815 8.906 -7.572 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -26.191 7.353 -8.355 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -27.483 8.286 -7.562 1.00 1.40 H new ATOM 2727 N ILE B 59 -27.056 2.925 -5.809 1.00 1.08 N ATOM 2728 CA ILE B 59 -26.647 1.688 -5.142 1.00 1.15 C ATOM 2729 C ILE B 59 -26.213 0.646 -6.177 1.00 1.25 C ATOM 2730 O ILE B 59 -25.277 -0.124 -5.949 1.00 1.32 O ATOM 2731 CB ILE B 59 -27.759 1.114 -4.219 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -27.233 -0.086 -3.425 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -28.994 0.719 -5.009 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -26.372 0.300 -2.244 1.00 1.37 C ATOM 0 H ILE B 59 -28.043 3.159 -5.700 1.00 1.08 H new ATOM 0 HA ILE B 59 -25.800 1.932 -4.501 1.00 1.15 H new ATOM 0 HB ILE B 59 -28.045 1.902 -3.523 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -28.079 -0.675 -3.070 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -26.655 -0.727 -4.091 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -29.749 0.322 -4.330 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.392 1.594 -5.523 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -28.729 -0.043 -5.742 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -26.036 -0.600 -1.729 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -25.507 0.863 -2.593 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -26.952 0.916 -1.557 1.00 1.37 H new ATOM 2746 N GLU B 60 -26.888 0.645 -7.322 1.00 1.29 N ATOM 2747 CA GLU B 60 -26.568 -0.272 -8.404 1.00 1.44 C ATOM 2748 C GLU B 60 -25.159 0.012 -8.908 1.00 1.40 C ATOM 2749 O GLU B 60 -24.350 -0.899 -9.103 1.00 1.51 O ATOM 2750 CB GLU B 60 -27.579 -0.104 -9.543 1.00 1.54 C ATOM 2751 CG GLU B 60 -27.274 -0.950 -10.767 1.00 1.75 C ATOM 2752 CD GLU B 60 -27.698 -0.285 -12.060 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -27.458 0.929 -12.220 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -28.258 -0.984 -12.929 1.00 2.28 O ATOM 0 H GLU B 60 -27.665 1.275 -7.523 1.00 1.29 H new ATOM 0 HA GLU B 60 -26.618 -1.298 -8.039 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -28.572 -0.360 -9.175 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -27.609 0.945 -9.837 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -26.204 -1.156 -10.803 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -27.781 -1.911 -10.675 1.00 1.75 H new ATOM 2761 N GLY B 61 -24.871 1.298 -9.064 1.00 1.29 N ATOM 2762 CA GLY B 61 -23.586 1.742 -9.546 1.00 1.28 C ATOM 2763 C GLY B 61 -22.449 1.355 -8.630 1.00 1.21 C ATOM 2764 O GLY B 61 -21.355 1.072 -9.097 1.00 1.23 O ATOM 0 H GLY B 61 -25.525 2.054 -8.859 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -23.409 1.320 -10.535 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -23.601 2.826 -9.660 1.00 1.28 H new ATOM 2768 N TYR B 62 -22.696 1.363 -7.327 1.00 1.19 N ATOM 2769 CA TYR B 62 -21.669 0.982 -6.367 1.00 1.23 C ATOM 2770 C TYR B 62 -21.418 -0.519 -6.444 1.00 1.35 C ATOM 2771 O TYR B 62 -20.271 -0.970 -6.479 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.063 1.370 -4.938 1.00 1.28 C ATOM 2773 CG TYR B 62 -20.984 1.066 -3.922 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -19.953 1.966 -3.687 1.00 2.11 C ATOM 2775 CD2 TYR B 62 -20.991 -0.127 -3.205 1.00 2.25 C ATOM 2776 CE1 TYR B 62 -18.960 1.686 -2.769 1.00 2.72 C ATOM 2777 CE2 TYR B 62 -20.001 -0.410 -2.284 1.00 2.90 C ATOM 2778 CZ TYR B 62 -18.989 0.499 -2.072 1.00 2.96 C ATOM 2779 OH TYR B 62 -17.995 0.217 -1.164 1.00 3.75 O ATOM 0 H TYR B 62 -23.590 1.627 -6.913 1.00 1.19 H new ATOM 0 HA TYR B 62 -20.756 1.520 -6.622 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -22.293 2.435 -4.907 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -22.974 0.839 -4.662 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -19.927 2.899 -4.230 1.00 2.11 H new ATOM 0 HD2 TYR B 62 -21.783 -0.843 -3.371 1.00 2.25 H new ATOM 0 HE1 TYR B 62 -18.164 2.395 -2.598 1.00 2.72 H new ATOM 0 HE2 TYR B 62 -20.021 -1.339 -1.733 1.00 2.90 H new ATOM 0 HH TYR B 62 -18.397 -0.060 -0.314 1.00 3.75 H new ATOM 2789 N THR B 63 -22.508 -1.276 -6.491 1.00 1.51 N ATOM 2790 CA THR B 63 -22.448 -2.730 -6.554 1.00 1.71 C ATOM 2791 C THR B 63 -21.684 -3.199 -7.795 1.00 1.67 C ATOM 2792 O THR B 63 -20.933 -4.176 -7.755 1.00 1.80 O ATOM 2793 CB THR B 63 -23.866 -3.327 -6.559 1.00 1.94 C ATOM 2794 OG1 THR B 63 -24.643 -2.723 -5.516 1.00 2.00 O ATOM 2795 CG2 THR B 63 -23.828 -4.831 -6.352 1.00 2.31 C ATOM 0 H THR B 63 -23.456 -0.899 -6.486 1.00 1.51 H new ATOM 0 HA THR B 63 -21.915 -3.079 -5.669 1.00 1.71 H new ATOM 0 HB THR B 63 -24.319 -3.124 -7.529 1.00 1.94 H new ATOM 0 HG1 THR B 63 -24.963 -1.846 -5.813 1.00 2.00 H new ATOM 0 HG21 THR B 63 -24.844 -5.225 -6.360 1.00 2.31 H new ATOM 0 HG22 THR B 63 -23.253 -5.294 -7.154 1.00 2.31 H new ATOM 0 HG23 THR B 63 -23.360 -5.055 -5.393 1.00 2.31 H new ATOM 2803 N TYR B 64 -21.878 -2.495 -8.895 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.201 -2.825 -10.139 1.00 1.63 C ATOM 2805 C TYR B 64 -20.199 -1.738 -10.482 1.00 1.37 C ATOM 2806 O TYR B 64 -19.949 -1.449 -11.653 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.215 -2.981 -11.273 1.00 1.90 C ATOM 2808 CG TYR B 64 -23.161 -4.141 -11.077 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -22.681 -5.416 -10.814 1.00 3.10 C ATOM 2810 CD2 TYR B 64 -24.534 -3.960 -11.148 1.00 2.81 C ATOM 2811 CE1 TYR B 64 -23.542 -6.483 -10.628 1.00 3.76 C ATOM 2812 CE2 TYR B 64 -25.405 -5.020 -10.962 1.00 3.50 C ATOM 2813 CZ TYR B 64 -24.903 -6.281 -10.701 1.00 3.84 C ATOM 2814 OH TYR B 64 -25.764 -7.340 -10.512 1.00 4.62 O ATOM 0 H TYR B 64 -22.500 -1.689 -8.954 1.00 1.57 H new ATOM 0 HA TYR B 64 -20.674 -3.771 -10.013 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -22.793 -2.061 -11.362 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -21.680 -3.113 -12.213 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -21.615 -5.579 -10.753 1.00 3.10 H new ATOM 0 HD2 TYR B 64 -24.930 -2.976 -11.352 1.00 2.81 H new ATOM 0 HE1 TYR B 64 -23.149 -7.469 -10.427 1.00 3.76 H new ATOM 0 HE2 TYR B 64 -26.472 -4.862 -11.021 1.00 3.50 H new ATOM 0 HH TYR B 64 -26.689 -7.028 -10.595 1.00 4.62 H new ATOM 2824 N GLY B 65 -19.635 -1.136 -9.447 1.00 1.20 N ATOM 2825 CA GLY B 65 -18.689 -0.064 -9.636 1.00 1.11 C ATOM 2826 C GLY B 65 -17.310 -0.534 -10.036 1.00 1.04 C ATOM 2827 O GLY B 65 -16.599 -1.162 -9.243 1.00 1.03 O ATOM 0 H GLY B 65 -19.819 -1.375 -8.473 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -19.069 0.613 -10.401 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.614 0.509 -8.712 1.00 1.11 H new ATOM 2831 N GLU B 66 -16.927 -0.218 -11.265 1.00 1.04 N ATOM 2832 CA GLU B 66 -15.615 -0.577 -11.776 1.00 1.02 C ATOM 2833 C GLU B 66 -14.552 0.215 -11.032 1.00 0.98 C ATOM 2834 O GLU B 66 -13.416 -0.233 -10.881 1.00 0.95 O ATOM 2835 CB GLU B 66 -15.524 -0.291 -13.276 1.00 1.10 C ATOM 2836 CG GLU B 66 -16.100 -1.395 -14.143 1.00 1.36 C ATOM 2837 CD GLU B 66 -15.237 -2.636 -14.143 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -14.312 -2.717 -14.977 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -15.475 -3.533 -13.310 1.00 2.08 O ATOM 0 H GLU B 66 -17.512 0.290 -11.929 1.00 1.04 H new ATOM 0 HA GLU B 66 -15.454 -1.644 -11.620 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -16.049 0.640 -13.492 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -14.479 -0.138 -13.545 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -17.098 -1.650 -13.787 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -16.209 -1.031 -15.165 1.00 1.36 H new ATOM 2846 N GLU B 67 -14.941 1.396 -10.562 1.00 1.00 N ATOM 2847 CA GLU B 67 -14.038 2.258 -9.821 1.00 1.01 C ATOM 2848 C GLU B 67 -13.692 1.632 -8.476 1.00 0.97 C ATOM 2849 O GLU B 67 -12.549 1.703 -8.031 1.00 0.95 O ATOM 2850 CB GLU B 67 -14.651 3.645 -9.622 1.00 1.10 C ATOM 2851 CG GLU B 67 -16.068 3.621 -9.076 1.00 1.53 C ATOM 2852 CD GLU B 67 -17.109 3.723 -10.166 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -17.386 2.703 -10.830 1.00 2.44 O ATOM 2854 OE2 GLU B 67 -17.656 4.824 -10.363 1.00 2.28 O ATOM 0 H GLU B 67 -15.880 1.776 -10.684 1.00 1.00 H new ATOM 0 HA GLU B 67 -13.121 2.371 -10.400 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -14.020 4.216 -8.941 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -14.649 4.172 -10.576 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -16.222 2.699 -8.515 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -16.198 4.446 -8.375 1.00 1.53 H new ATOM 2861 N ARG B 68 -14.677 1.002 -7.840 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.466 0.351 -6.551 1.00 0.99 C ATOM 2863 C ARG B 68 -13.449 -0.760 -6.719 1.00 0.95 C ATOM 2864 O ARG B 68 -12.509 -0.889 -5.937 1.00 0.95 O ATOM 2865 CB ARG B 68 -15.781 -0.218 -6.014 1.00 1.04 C ATOM 2866 CG ARG B 68 -15.993 0.019 -4.524 1.00 1.10 C ATOM 2867 CD ARG B 68 -15.222 -0.977 -3.669 1.00 1.41 C ATOM 2868 NE ARG B 68 -15.797 -1.113 -2.327 1.00 1.59 N ATOM 2869 CZ ARG B 68 -15.308 -1.919 -1.380 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -14.206 -2.624 -1.604 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -15.920 -2.008 -0.204 1.00 2.17 N ATOM 0 H ARG B 68 -15.630 0.929 -8.197 1.00 0.98 H new ATOM 0 HA ARG B 68 -14.095 1.085 -5.835 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.610 0.227 -6.564 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -15.808 -1.290 -6.209 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.680 1.032 -4.271 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -17.056 -0.053 -4.294 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -15.217 -1.950 -4.161 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -14.183 -0.656 -3.587 1.00 1.41 H new ATOM 0 HE ARG B 68 -16.622 -0.557 -2.102 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -13.728 -2.552 -2.502 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -13.837 -3.238 -0.878 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -16.762 -1.461 -0.025 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -15.548 -2.623 0.520 1.00 2.17 H new ATOM 2885 N LYS B 69 -13.631 -1.532 -7.781 1.00 0.94 N ATOM 2886 CA LYS B 69 -12.737 -2.632 -8.095 1.00 0.94 C ATOM 2887 C LYS B 69 -11.336 -2.100 -8.397 1.00 0.89 C ATOM 2888 O LYS B 69 -10.344 -2.777 -8.151 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.273 -3.410 -9.295 1.00 1.00 C ATOM 2890 CG LYS B 69 -12.807 -4.859 -9.354 1.00 1.28 C ATOM 2891 CD LYS B 69 -13.409 -5.585 -10.550 1.00 1.46 C ATOM 2892 CE LYS B 69 -12.778 -5.130 -11.856 1.00 1.55 C ATOM 2893 NZ LYS B 69 -13.659 -5.403 -13.022 1.00 1.70 N ATOM 0 H LYS B 69 -14.397 -1.413 -8.444 1.00 0.94 H new ATOM 0 HA LYS B 69 -12.681 -3.300 -7.236 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -14.363 -3.391 -9.270 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -12.966 -2.903 -10.210 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -11.719 -4.891 -9.416 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -13.089 -5.372 -8.435 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -13.269 -6.660 -10.432 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -14.484 -5.405 -10.582 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -12.565 -4.062 -11.804 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -11.824 -5.639 -11.995 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -13.200 -5.063 -13.891 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -13.828 -6.426 -13.097 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -14.566 -4.911 -12.894 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.271 -0.883 -8.929 1.00 0.89 N ATOM 2908 CA LEU B 70 -10.003 -0.240 -9.256 1.00 0.87 C ATOM 2909 C LEU B 70 -9.240 0.092 -7.977 1.00 0.83 C ATOM 2910 O LEU B 70 -8.029 -0.108 -7.894 1.00 0.82 O ATOM 2911 CB LEU B 70 -10.258 1.041 -10.063 1.00 0.91 C ATOM 2912 CG LEU B 70 -9.013 1.731 -10.617 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -8.396 0.901 -11.730 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -9.353 3.127 -11.115 1.00 1.04 C ATOM 0 H LEU B 70 -12.092 -0.317 -9.145 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.404 -0.924 -9.857 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.918 0.799 -10.896 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -10.792 1.749 -9.428 1.00 0.91 H new ATOM 0 HG LEU B 70 -8.283 1.823 -9.813 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -7.510 1.407 -12.113 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -8.115 -0.078 -11.341 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -9.120 0.777 -12.535 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -8.454 3.603 -11.506 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -10.101 3.059 -11.905 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -9.749 3.721 -10.291 1.00 1.04 H new ATOM 2926 N TYR B 71 -9.970 0.581 -6.978 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.377 0.940 -5.697 1.00 0.84 C ATOM 2928 C TYR B 71 -8.866 -0.310 -4.994 1.00 0.83 C ATOM 2929 O TYR B 71 -7.762 -0.323 -4.447 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.393 1.669 -4.808 1.00 0.91 C ATOM 2931 CG TYR B 71 -11.090 2.828 -5.491 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.401 3.662 -6.364 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.436 3.090 -5.260 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -11.032 4.717 -6.989 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -13.072 4.145 -5.882 1.00 1.09 C ATOM 2936 CZ TYR B 71 -12.366 4.956 -6.746 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.999 6.006 -7.371 1.00 1.19 O ATOM 0 H TYR B 71 -10.976 0.737 -7.033 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.541 1.615 -5.881 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.144 0.954 -4.471 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -9.883 2.038 -3.918 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.354 3.481 -6.556 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -12.992 2.458 -4.583 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -10.482 5.353 -7.666 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -14.118 4.335 -5.693 1.00 1.09 H new ATOM 0 HH TYR B 71 -12.580 6.169 -8.242 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.677 -1.365 -5.022 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.305 -2.635 -4.404 1.00 0.88 C ATOM 2949 C ASP B 72 -8.069 -3.207 -5.090 1.00 0.85 C ATOM 2950 O ASP B 72 -7.182 -3.769 -4.442 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.455 -3.645 -4.491 1.00 0.95 C ATOM 2952 CG ASP B 72 -11.459 -3.487 -3.367 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -11.229 -4.048 -2.271 1.00 1.32 O ATOM 2954 OD2 ASP B 72 -12.485 -2.810 -3.572 1.00 1.31 O ATOM 0 H ASP B 72 -10.595 -1.365 -5.466 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.085 -2.449 -3.353 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -10.965 -3.527 -5.447 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -10.048 -4.656 -4.469 1.00 0.95 H new ATOM 2959 N SER B 73 -8.014 -3.048 -6.409 1.00 0.84 N ATOM 2960 CA SER B 73 -6.891 -3.536 -7.195 1.00 0.83 C ATOM 2961 C SER B 73 -5.613 -2.790 -6.833 1.00 0.79 C ATOM 2962 O SER B 73 -4.529 -3.370 -6.836 1.00 0.78 O ATOM 2963 CB SER B 73 -7.178 -3.386 -8.689 1.00 0.86 C ATOM 2964 OG SER B 73 -8.303 -4.160 -9.077 1.00 0.91 O ATOM 0 H SER B 73 -8.739 -2.583 -6.956 1.00 0.84 H new ATOM 0 HA SER B 73 -6.753 -4.593 -6.967 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.357 -2.337 -8.924 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.305 -3.697 -9.263 1.00 0.86 H new ATOM 0 HG SER B 73 -9.123 -3.729 -8.757 1.00 0.91 H new ATOM 2970 N ALA B 74 -5.745 -1.509 -6.508 1.00 0.79 N ATOM 2971 CA ALA B 74 -4.597 -0.700 -6.128 1.00 0.78 C ATOM 2972 C ALA B 74 -3.963 -1.243 -4.852 1.00 0.74 C ATOM 2973 O ALA B 74 -2.738 -1.290 -4.726 1.00 0.72 O ATOM 2974 CB ALA B 74 -5.008 0.756 -5.952 1.00 0.81 C ATOM 0 H ALA B 74 -6.635 -1.011 -6.501 1.00 0.79 H new ATOM 0 HA ALA B 74 -3.855 -0.750 -6.925 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -4.138 1.348 -5.668 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -5.414 1.135 -6.890 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -5.766 0.828 -5.172 1.00 0.81 H new ATOM 2980 N LEU B 75 -4.807 -1.684 -3.925 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.337 -2.240 -2.662 1.00 0.76 C ATOM 2982 C LEU B 75 -3.636 -3.573 -2.893 1.00 0.73 C ATOM 2983 O LEU B 75 -2.723 -3.943 -2.156 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.501 -2.416 -1.685 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.404 -1.585 -0.401 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.093 -1.870 0.322 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.527 -0.099 -0.715 1.00 1.14 C ATOM 0 H LEU B 75 -5.822 -1.667 -4.025 1.00 0.76 H new ATOM 0 HA LEU B 75 -3.622 -1.542 -2.227 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.427 -2.157 -2.198 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -5.571 -3.469 -1.413 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.228 -1.868 0.254 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.041 -1.271 1.231 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.043 -2.928 0.581 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.256 -1.615 -0.328 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.456 0.475 0.209 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -4.724 0.198 -1.390 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.489 0.094 -1.189 1.00 1.14 H new ATOM 2999 N SER B 76 -4.059 -4.284 -3.933 1.00 0.75 N ATOM 3000 CA SER B 76 -3.461 -5.566 -4.272 1.00 0.75 C ATOM 3001 C SER B 76 -2.023 -5.358 -4.744 1.00 0.72 C ATOM 3002 O SER B 76 -1.143 -6.180 -4.489 1.00 0.72 O ATOM 3003 CB SER B 76 -4.301 -6.272 -5.338 1.00 0.81 C ATOM 3004 OG SER B 76 -5.651 -6.398 -4.911 1.00 0.91 O ATOM 0 H SER B 76 -4.814 -3.992 -4.554 1.00 0.75 H new ATOM 0 HA SER B 76 -3.439 -6.202 -3.387 1.00 0.75 H new ATOM 0 HB2 SER B 76 -4.260 -5.710 -6.271 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.885 -7.259 -5.542 1.00 0.81 H new ATOM 0 HG SER B 76 -6.065 -5.511 -4.868 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.789 -4.228 -5.406 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.458 -3.882 -5.885 1.00 0.71 C ATOM 3012 C LYS B 77 0.439 -3.572 -4.697 1.00 0.67 C ATOM 3013 O LYS B 77 1.635 -3.859 -4.712 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.522 -2.681 -6.830 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.412 -2.913 -8.045 1.00 0.93 C ATOM 3016 CD LYS B 77 -1.708 -1.616 -8.782 1.00 1.09 C ATOM 3017 CE LYS B 77 -0.474 -1.082 -9.495 1.00 1.34 C ATOM 3018 NZ LYS B 77 -0.619 -1.125 -10.977 1.00 1.68 N ATOM 0 H LYS B 77 -2.507 -3.536 -5.622 1.00 0.72 H new ATOM 0 HA LYS B 77 -0.047 -4.726 -6.438 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -0.889 -1.815 -6.280 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.486 -2.440 -7.168 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -0.926 -3.614 -8.723 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.348 -3.373 -7.728 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -2.504 -1.783 -9.507 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -2.072 -0.870 -8.075 1.00 1.09 H new ATOM 0 HE2 LYS B 77 -0.290 -0.055 -9.179 1.00 1.34 H new ATOM 0 HE3 LYS B 77 0.396 -1.668 -9.199 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 0.244 -0.752 -11.421 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -0.769 -2.108 -11.283 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 -1.434 -0.545 -11.263 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.168 -2.992 -3.660 1.00 0.66 N ATOM 3033 CA ILE B 78 0.544 -2.661 -2.437 1.00 0.64 C ATOM 3034 C ILE B 78 1.043 -3.948 -1.785 1.00 0.63 C ATOM 3035 O ILE B 78 2.173 -4.022 -1.298 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.371 -1.904 -1.444 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -0.864 -0.582 -2.051 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.350 -1.656 -0.125 1.00 0.79 C ATOM 3039 CD1 ILE B 78 0.180 0.519 -2.088 1.00 1.15 C ATOM 0 H ILE B 78 -1.157 -2.743 -3.649 1.00 0.66 H new ATOM 0 HA ILE B 78 1.383 -2.013 -2.690 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.241 -2.529 -1.244 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.212 -0.770 -3.067 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.723 -0.232 -1.479 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.312 -1.123 0.557 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.636 -2.610 0.318 1.00 0.79 H new ATOM 0 HG23 ILE B 78 1.243 -1.058 -0.305 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -0.253 1.416 -2.531 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.512 0.740 -1.074 1.00 1.15 H new ATOM 0 HD13 ILE B 78 1.031 0.193 -2.686 1.00 1.15 H new ATOM 3051 N GLU B 79 0.185 -4.966 -1.808 1.00 0.65 N ATOM 3052 CA GLU B 79 0.506 -6.271 -1.249 1.00 0.67 C ATOM 3053 C GLU B 79 1.742 -6.851 -1.937 1.00 0.67 C ATOM 3054 O GLU B 79 2.629 -7.416 -1.292 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.691 -7.209 -1.425 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.411 -8.650 -1.028 1.00 0.77 C ATOM 3057 CD GLU B 79 -1.241 -9.636 -1.825 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -2.427 -9.825 -1.496 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -0.712 -10.222 -2.798 1.00 1.74 O ATOM 0 H GLU B 79 -0.749 -4.907 -2.214 1.00 0.65 H new ATOM 0 HA GLU B 79 0.723 -6.164 -0.186 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.524 -6.834 -0.830 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -1.008 -7.185 -2.468 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.647 -8.866 -1.175 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.618 -8.779 0.034 1.00 0.77 H new ATOM 3066 N LYS B 80 1.803 -6.679 -3.253 1.00 0.67 N ATOM 3067 CA LYS B 80 2.922 -7.174 -4.048 1.00 0.69 C ATOM 3068 C LYS B 80 4.225 -6.494 -3.633 1.00 0.68 C ATOM 3069 O LYS B 80 5.290 -7.117 -3.620 1.00 0.72 O ATOM 3070 CB LYS B 80 2.665 -6.938 -5.540 1.00 0.72 C ATOM 3071 CG LYS B 80 1.361 -7.547 -6.034 1.00 0.79 C ATOM 3072 CD LYS B 80 1.280 -7.550 -7.553 1.00 1.18 C ATOM 3073 CE LYS B 80 2.129 -8.656 -8.164 1.00 1.78 C ATOM 3074 NZ LYS B 80 1.810 -9.992 -7.589 1.00 2.05 N ATOM 0 H LYS B 80 1.086 -6.197 -3.795 1.00 0.67 H new ATOM 0 HA LYS B 80 3.015 -8.245 -3.869 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.652 -5.865 -5.733 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.492 -7.356 -6.114 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.273 -8.568 -5.663 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.520 -6.986 -5.626 1.00 0.79 H new ATOM 0 HD2 LYS B 80 0.242 -7.677 -7.861 1.00 1.18 H new ATOM 0 HD3 LYS B 80 1.611 -6.585 -7.936 1.00 1.18 H new ATOM 0 HE2 LYS B 80 1.971 -8.679 -9.242 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.184 -8.434 -8.001 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 2.093 -10.735 -8.259 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 2.326 -10.117 -6.695 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 0.788 -10.058 -7.410 1.00 2.05 H new ATOM 3088 N LEU B 81 4.129 -5.217 -3.280 1.00 0.65 N ATOM 3089 CA LEU B 81 5.294 -4.453 -2.853 1.00 0.67 C ATOM 3090 C LEU B 81 5.795 -4.968 -1.510 1.00 0.68 C ATOM 3091 O LEU B 81 7.002 -5.030 -1.269 1.00 0.72 O ATOM 3092 CB LEU B 81 4.952 -2.965 -2.757 1.00 0.67 C ATOM 3093 CG LEU B 81 5.863 -2.024 -3.556 1.00 0.78 C ATOM 3094 CD1 LEU B 81 7.304 -2.125 -3.074 1.00 1.02 C ATOM 3095 CD2 LEU B 81 5.776 -2.328 -5.045 1.00 0.97 C ATOM 0 H LEU B 81 3.256 -4.689 -3.281 1.00 0.65 H new ATOM 0 HA LEU B 81 6.084 -4.578 -3.594 1.00 0.67 H new ATOM 0 HB2 LEU B 81 3.926 -2.823 -3.096 1.00 0.67 H new ATOM 0 HB3 LEU B 81 4.984 -2.670 -1.708 1.00 0.67 H new ATOM 0 HG LEU B 81 5.520 -1.002 -3.392 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.930 -1.449 -3.656 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.355 -1.851 -2.020 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.659 -3.148 -3.201 1.00 1.02 H new ATOM 0 HD21 LEU B 81 6.429 -1.650 -5.594 1.00 0.97 H new ATOM 0 HD22 LEU B 81 6.088 -3.357 -5.225 1.00 0.97 H new ATOM 0 HD23 LEU B 81 4.749 -2.195 -5.384 1.00 0.97 H new ATOM 3107 N ILE B 82 4.862 -5.360 -0.647 1.00 0.68 N ATOM 3108 CA ILE B 82 5.210 -5.893 0.664 1.00 0.72 C ATOM 3109 C ILE B 82 5.993 -7.197 0.496 1.00 0.77 C ATOM 3110 O ILE B 82 6.943 -7.467 1.231 1.00 0.81 O ATOM 3111 CB ILE B 82 3.956 -6.132 1.538 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.117 -4.849 1.624 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.361 -6.604 2.929 1.00 0.78 C ATOM 3114 CD1 ILE B 82 1.990 -4.902 2.641 1.00 0.72 C ATOM 0 H ILE B 82 3.860 -5.318 -0.833 1.00 0.68 H new ATOM 0 HA ILE B 82 5.829 -5.156 1.175 1.00 0.72 H new ATOM 0 HB ILE B 82 3.349 -6.911 1.076 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.774 -4.016 1.872 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.694 -4.640 0.642 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.468 -6.768 3.532 1.00 0.78 H new ATOM 0 HG22 ILE B 82 4.920 -7.536 2.848 1.00 0.78 H new ATOM 0 HG23 ILE B 82 4.985 -5.846 3.403 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.450 -3.955 2.635 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.306 -5.711 2.385 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.404 -5.077 3.634 1.00 0.72 H new ATOM 3126 N GLU B 83 5.598 -7.994 -0.498 1.00 0.78 N ATOM 3127 CA GLU B 83 6.277 -9.252 -0.789 1.00 0.85 C ATOM 3128 C GLU B 83 7.682 -8.981 -1.324 1.00 0.87 C ATOM 3129 O GLU B 83 8.611 -9.745 -1.081 1.00 0.94 O ATOM 3130 CB GLU B 83 5.477 -10.076 -1.801 1.00 0.88 C ATOM 3131 CG GLU B 83 6.251 -11.256 -2.380 1.00 1.11 C ATOM 3132 CD GLU B 83 5.410 -12.138 -3.282 1.00 1.73 C ATOM 3133 OE1 GLU B 83 5.277 -11.819 -4.482 1.00 2.25 O ATOM 3134 OE2 GLU B 83 4.878 -13.162 -2.796 1.00 2.41 O ATOM 0 H GLU B 83 4.811 -7.788 -1.114 1.00 0.78 H new ATOM 0 HA GLU B 83 6.355 -9.823 0.136 1.00 0.85 H new ATOM 0 HB2 GLU B 83 4.572 -10.447 -1.320 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.160 -9.426 -2.616 1.00 0.88 H new ATOM 0 HG2 GLU B 83 7.105 -10.880 -2.944 1.00 1.11 H new ATOM 0 HG3 GLU B 83 6.648 -11.858 -1.563 1.00 1.11 H new ATOM 3141 N THR B 84 7.828 -7.881 -2.047 1.00 0.83 N ATOM 3142 CA THR B 84 9.118 -7.503 -2.602 1.00 0.87 C ATOM 3143 C THR B 84 10.121 -7.222 -1.483 1.00 0.91 C ATOM 3144 O THR B 84 11.301 -7.554 -1.595 1.00 0.98 O ATOM 3145 CB THR B 84 8.982 -6.254 -3.498 1.00 0.84 C ATOM 3146 OG1 THR B 84 7.927 -6.446 -4.451 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.282 -5.951 -4.233 1.00 0.87 C ATOM 0 H THR B 84 7.069 -7.235 -2.263 1.00 0.83 H new ATOM 0 HA THR B 84 9.480 -8.335 -3.206 1.00 0.87 H new ATOM 0 HB THR B 84 8.748 -5.407 -2.854 1.00 0.84 H new ATOM 0 HG1 THR B 84 7.070 -6.513 -3.981 1.00 0.84 H new ATOM 0 HG21 THR B 84 10.151 -5.065 -4.855 1.00 0.87 H new ATOM 0 HG22 THR B 84 11.076 -5.771 -3.508 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.550 -6.800 -4.862 1.00 0.87 H new ATOM 3155 N LEU B 85 9.632 -6.629 -0.399 1.00 0.90 N ATOM 3156 CA LEU B 85 10.477 -6.298 0.742 1.00 0.98 C ATOM 3157 C LEU B 85 10.612 -7.492 1.685 1.00 1.07 C ATOM 3158 O LEU B 85 11.542 -7.557 2.490 1.00 1.22 O ATOM 3159 CB LEU B 85 9.897 -5.099 1.500 1.00 0.97 C ATOM 3160 CG LEU B 85 9.583 -3.874 0.636 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.574 -2.977 1.338 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.852 -3.092 0.324 1.00 1.01 C ATOM 0 H LEU B 85 8.653 -6.367 -0.287 1.00 0.90 H new ATOM 0 HA LEU B 85 11.467 -6.040 0.367 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.982 -5.414 2.002 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.602 -4.805 2.277 1.00 0.97 H new ATOM 0 HG LEU B 85 9.153 -4.221 -0.304 1.00 0.91 H new ATOM 0 HD11 LEU B 85 8.360 -2.110 0.712 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.653 -3.533 1.514 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.985 -2.644 2.291 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.604 -2.227 -0.291 1.00 1.01 H new ATOM 0 HD22 LEU B 85 11.311 -2.757 1.254 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.550 -3.732 -0.215 1.00 1.01 H new ATOM 3174 N SER B 86 9.685 -8.436 1.584 1.00 1.08 N ATOM 3175 CA SER B 86 9.696 -9.615 2.439 1.00 1.20 C ATOM 3176 C SER B 86 9.520 -10.885 1.606 1.00 1.59 C ATOM 3177 O SER B 86 8.396 -11.310 1.338 1.00 2.11 O ATOM 3178 CB SER B 86 8.584 -9.505 3.491 1.00 1.48 C ATOM 3179 OG SER B 86 8.154 -8.155 3.638 1.00 1.78 O ATOM 0 H SER B 86 8.914 -8.407 0.916 1.00 1.08 H new ATOM 0 HA SER B 86 10.659 -9.672 2.946 1.00 1.20 H new ATOM 0 HB2 SER B 86 7.740 -10.130 3.200 1.00 1.48 H new ATOM 0 HB3 SER B 86 8.945 -9.882 4.448 1.00 1.48 H new ATOM 0 HG SER B 86 7.662 -7.879 2.836 1.00 1.78 H new