USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1001 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 12 GLN : amide:sc= -4.5! C(o=-2!,f=-2.9!) USER MOD Set 1.2: A 120 TYR OH : rot 15:sc= 2.48 USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0.767 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.889 K(o=1.7,f=0.76) USER MOD Set 3.1: A 100 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 73 THR OG1 : rot 119:sc= 0.774 USER MOD Set 4.2: A 75 THR OG1 : rot 180:sc= 0.635 USER MOD Set 5.1: A 43 HIS : no HE2:sc= -0.586 K(o=-0.8,f=-8.1!) USER MOD Set 5.2: A 89 ASN : amide:sc= -0.219 K(o=-0.8,f=-5.3!) USER MOD Single : A 4 SER OG : rot -30:sc= 0.894 USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= 1.14 (180deg=-0.0025) USER MOD Single : A 7 TYR OH : rot -2:sc= 0.603 USER MOD Single : A 8 GLN : amide:sc= -0.0993 K(o=-0.099,f=-1.5!) USER MOD Single : A 10 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.14 K(o=-2.1,f=-1.3) USER MOD Single : A 19 MET CE :methyl -150:sc=-0.00909 (180deg=-1.56!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 165:sc= -0.208 (180deg=-0.664) USER MOD Single : A 30 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.6) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.184 (180deg=-0.807) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.427) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0.223 (180deg=-0.0489) USER MOD Single : A 39 SER OG : rot 180:sc= -1.21 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= -1.73! (180deg=-3.98!) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.07) USER MOD Single : A 51 THR OG1 : rot 72:sc= 0.105 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -144:sc= 1.15 (180deg=0.87) USER MOD Single : A 60 HIS : no HE2:sc= 0.179 K(o=0.18,f=-2.3!) USER MOD Single : A 61 ASN : amide:sc= -7.61! C(o=-7.6!,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 115:sc= -0.322 USER MOD Single : A 74 MET CE :methyl 159:sc= -0.291 (180deg=-1.63) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 0.702 (180deg=-0.591) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.121) USER MOD Single : A 85 MET CE :methyl -151:sc= -1.19 (180deg=-4.02!) USER MOD Single : A 90 LYS NZ :NH3+ -120:sc= 0.138 (180deg=0) USER MOD Single : A 91 MET CE :methyl -139:sc= -0.0665 (180deg=-0.467) USER MOD Single : A 93 THR OG1 : rot -87:sc= -0.828 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= -0.0244 (180deg=-0.251) USER MOD Single : A 99 LYS NZ :NH3+ 170:sc=-0.00825 (180deg=-0.117) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 120:sc= -0.92 USER MOD Single : A 125 LYS NZ :NH3+ -130:sc= -0.918 (180deg=-2.87!) USER MOD ----------------------------------------------------------------- ATOM 54 N SER A 4 4.862 -12.034 4.776 1.00 0.00 N ATOM 55 CA SER A 4 4.649 -10.880 5.646 1.00 0.00 C ATOM 56 C SER A 4 5.945 -10.454 6.355 1.00 0.00 C ATOM 57 O SER A 4 7.042 -10.820 5.925 1.00 0.00 O ATOM 58 CB SER A 4 3.531 -11.158 6.647 1.00 0.00 C ATOM 59 OG SER A 4 3.795 -12.262 7.497 1.00 0.00 O ATOM 0 HA SER A 4 4.341 -10.044 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.371 -10.269 7.258 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.604 -11.342 6.103 1.00 0.00 H new ATOM 0 HG SER A 4 4.357 -12.911 7.025 1.00 0.00 H new ATOM 65 N GLY A 5 5.810 -9.671 7.422 1.00 0.00 N ATOM 66 CA GLY A 5 6.962 -9.165 8.147 1.00 0.00 C ATOM 67 C GLY A 5 7.076 -7.665 8.057 1.00 0.00 C ATOM 68 O GLY A 5 6.205 -7.007 7.497 1.00 0.00 O ATOM 0 H GLY A 5 4.910 -9.375 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.889 -9.460 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.869 -9.621 7.750 1.00 0.00 H new ATOM 72 N LYS A 6 8.153 -7.122 8.595 1.00 0.00 N ATOM 73 CA LYS A 6 8.353 -5.678 8.585 1.00 0.00 C ATOM 74 C LYS A 6 9.178 -5.299 7.360 1.00 0.00 C ATOM 75 O LYS A 6 10.310 -5.748 7.197 1.00 0.00 O ATOM 76 CB LYS A 6 9.097 -5.209 9.840 1.00 0.00 C ATOM 77 CG LYS A 6 8.648 -5.909 11.110 1.00 0.00 C ATOM 78 CD LYS A 6 9.789 -6.153 12.089 1.00 0.00 C ATOM 79 CE LYS A 6 10.586 -4.893 12.393 1.00 0.00 C ATOM 80 NZ LYS A 6 9.748 -3.822 13.000 1.00 0.00 N ATOM 0 H LYS A 6 8.900 -7.652 9.043 1.00 0.00 H new ATOM 0 HA LYS A 6 7.374 -5.198 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.165 -5.375 9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.954 -4.135 9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.880 -5.308 11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.189 -6.863 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.385 -6.554 13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.458 -6.910 11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.404 -5.139 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.036 -4.520 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.725 -2.998 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.781 -4.177 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.152 -3.543 13.917 1.00 0.00 H new ATOM 94 N TYR A 7 8.592 -4.497 6.500 1.00 0.00 N ATOM 95 CA TYR A 7 9.254 -3.986 5.320 1.00 0.00 C ATOM 96 C TYR A 7 9.156 -2.474 5.349 1.00 0.00 C ATOM 97 O TYR A 7 8.068 -1.922 5.439 1.00 0.00 O ATOM 98 CB TYR A 7 8.596 -4.534 4.046 1.00 0.00 C ATOM 99 CG TYR A 7 8.646 -6.044 3.918 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.925 -6.854 4.779 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.417 -6.657 2.938 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.970 -8.227 4.676 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.463 -8.035 2.825 1.00 0.00 C ATOM 104 CZ TYR A 7 8.740 -8.814 3.702 1.00 0.00 C ATOM 105 OH TYR A 7 8.788 -10.187 3.610 1.00 0.00 O ATOM 0 H TYR A 7 7.629 -4.177 6.601 1.00 0.00 H new ATOM 0 HA TYR A 7 10.297 -4.301 5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.555 -4.213 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.086 -4.091 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.315 -6.400 5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.989 -6.048 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.401 -8.840 5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.062 -8.497 2.054 1.00 0.00 H new ATOM 0 HH TYR A 7 8.249 -10.582 4.327 1.00 0.00 H new ATOM 115 N GLN A 8 10.276 -1.799 5.271 1.00 0.00 N ATOM 116 CA GLN A 8 10.291 -0.370 5.478 1.00 0.00 C ATOM 117 C GLN A 8 10.149 0.333 4.135 1.00 0.00 C ATOM 118 O GLN A 8 10.794 -0.054 3.154 1.00 0.00 O ATOM 119 CB GLN A 8 11.573 0.032 6.198 1.00 0.00 C ATOM 120 CG GLN A 8 11.517 1.423 6.805 1.00 0.00 C ATOM 121 CD GLN A 8 12.040 2.494 5.869 1.00 0.00 C ATOM 122 OE1 GLN A 8 12.935 2.248 5.060 1.00 0.00 O ATOM 123 NE2 GLN A 8 11.483 3.688 5.968 1.00 0.00 N ATOM 0 H GLN A 8 11.186 -2.212 5.067 1.00 0.00 H new ATOM 0 HA GLN A 8 9.453 -0.070 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.780 -0.692 6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.405 -0.016 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.487 1.655 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.099 1.436 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.744 3.851 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.792 4.447 5.361 1.00 0.00 H new ATOM 132 N VAL A 9 9.286 1.341 4.078 1.00 0.00 N ATOM 133 CA VAL A 9 9.006 2.019 2.823 1.00 0.00 C ATOM 134 C VAL A 9 10.205 2.807 2.329 1.00 0.00 C ATOM 135 O VAL A 9 10.873 3.514 3.081 1.00 0.00 O ATOM 136 CB VAL A 9 7.772 2.933 2.916 1.00 0.00 C ATOM 137 CG1 VAL A 9 7.723 3.900 1.758 1.00 0.00 C ATOM 138 CG2 VAL A 9 6.543 2.090 2.921 1.00 0.00 C ATOM 0 H VAL A 9 8.773 1.703 4.882 1.00 0.00 H new ATOM 0 HA VAL A 9 8.787 1.235 2.098 1.00 0.00 H new ATOM 0 HB VAL A 9 7.833 3.513 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.841 4.533 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.618 4.522 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.675 3.344 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.663 2.730 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.499 1.506 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.567 1.417 3.778 1.00 0.00 H new ATOM 148 N GLN A 10 10.427 2.694 1.036 1.00 0.00 N ATOM 149 CA GLN A 10 11.655 3.162 0.412 1.00 0.00 C ATOM 150 C GLN A 10 11.426 4.347 -0.524 1.00 0.00 C ATOM 151 O GLN A 10 11.825 5.468 -0.224 1.00 0.00 O ATOM 152 CB GLN A 10 12.288 2.000 -0.343 1.00 0.00 C ATOM 153 CG GLN A 10 13.448 1.392 0.381 1.00 0.00 C ATOM 154 CD GLN A 10 14.722 2.211 0.273 1.00 0.00 C ATOM 155 OE1 GLN A 10 15.544 2.227 1.188 1.00 0.00 O ATOM 156 NE2 GLN A 10 14.902 2.887 -0.853 1.00 0.00 N ATOM 0 H GLN A 10 9.763 2.275 0.384 1.00 0.00 H new ATOM 0 HA GLN A 10 12.323 3.518 1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.533 1.233 -0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.620 2.348 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.189 1.274 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.632 0.394 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.197 2.849 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.746 3.446 -0.983 1.00 0.00 H new ATOM 165 N SER A 11 10.762 4.101 -1.643 1.00 0.00 N ATOM 166 CA SER A 11 10.655 5.098 -2.700 1.00 0.00 C ATOM 167 C SER A 11 9.373 4.925 -3.492 1.00 0.00 C ATOM 168 O SER A 11 8.911 3.801 -3.695 1.00 0.00 O ATOM 169 CB SER A 11 11.860 4.981 -3.625 1.00 0.00 C ATOM 170 OG SER A 11 13.021 5.529 -3.025 1.00 0.00 O ATOM 0 H SER A 11 10.289 3.220 -1.844 1.00 0.00 H new ATOM 0 HA SER A 11 10.633 6.088 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.034 3.933 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.654 5.497 -4.563 1.00 0.00 H new ATOM 0 HG SER A 11 13.780 5.439 -3.639 1.00 0.00 H new ATOM 176 N GLN A 12 8.775 6.039 -3.902 1.00 0.00 N ATOM 177 CA GLN A 12 7.518 5.990 -4.631 1.00 0.00 C ATOM 178 C GLN A 12 7.641 6.646 -5.994 1.00 0.00 C ATOM 179 O GLN A 12 8.528 7.466 -6.236 1.00 0.00 O ATOM 180 CB GLN A 12 6.379 6.709 -3.917 1.00 0.00 C ATOM 181 CG GLN A 12 6.404 6.710 -2.386 1.00 0.00 C ATOM 182 CD GLN A 12 6.292 5.340 -1.752 1.00 0.00 C ATOM 183 OE1 GLN A 12 5.197 4.827 -1.554 1.00 0.00 O ATOM 184 NE2 GLN A 12 7.421 4.772 -1.369 1.00 0.00 N ATOM 0 H GLN A 12 9.139 6.978 -3.742 1.00 0.00 H new ATOM 0 HA GLN A 12 7.293 4.927 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.368 7.745 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.440 6.259 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.331 7.176 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.586 7.332 -2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.312 5.233 -1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.402 3.872 -0.889 1.00 0.00 H new ATOM 193 N GLU A 13 6.740 6.249 -6.866 1.00 0.00 N ATOM 194 CA GLU A 13 6.517 6.895 -8.142 1.00 0.00 C ATOM 195 C GLU A 13 5.225 7.696 -8.095 1.00 0.00 C ATOM 196 O GLU A 13 4.222 7.221 -7.545 1.00 0.00 O ATOM 197 CB GLU A 13 6.430 5.831 -9.205 1.00 0.00 C ATOM 198 CG GLU A 13 7.767 5.190 -9.537 1.00 0.00 C ATOM 199 CD GLU A 13 7.732 4.378 -10.818 1.00 0.00 C ATOM 200 OE1 GLU A 13 6.646 3.903 -11.199 1.00 0.00 O ATOM 201 OE2 GLU A 13 8.794 4.218 -11.458 1.00 0.00 O ATOM 0 H GLU A 13 6.128 5.449 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 13 7.337 7.577 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.737 5.056 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.012 6.269 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.525 5.968 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.069 4.545 -8.712 1.00 0.00 H new ATOM 208 N ASN A 14 5.255 8.908 -8.654 1.00 0.00 N ATOM 209 CA ASN A 14 4.088 9.790 -8.680 1.00 0.00 C ATOM 210 C ASN A 14 3.761 10.310 -7.280 1.00 0.00 C ATOM 211 O ASN A 14 4.176 11.397 -6.939 1.00 0.00 O ATOM 212 CB ASN A 14 2.884 9.073 -9.301 1.00 0.00 C ATOM 213 CG ASN A 14 2.845 9.197 -10.804 1.00 0.00 C ATOM 214 OD1 ASN A 14 3.859 9.438 -11.457 1.00 0.00 O ATOM 215 ND2 ASN A 14 1.671 9.000 -11.363 1.00 0.00 N ATOM 0 H ASN A 14 6.084 9.303 -9.098 1.00 0.00 H new ATOM 0 HA ASN A 14 4.326 10.652 -9.303 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.914 8.018 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.966 9.485 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.575 9.044 -12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.856 8.803 -10.782 1.00 0.00 H new ATOM 222 N PHE A 15 3.081 9.488 -6.478 1.00 0.00 N ATOM 223 CA PHE A 15 2.624 9.803 -5.103 1.00 0.00 C ATOM 224 C PHE A 15 2.201 11.264 -4.923 1.00 0.00 C ATOM 225 O PHE A 15 2.354 11.844 -3.854 1.00 0.00 O ATOM 226 CB PHE A 15 3.704 9.418 -4.073 1.00 0.00 C ATOM 227 CG PHE A 15 5.052 10.074 -4.272 1.00 0.00 C ATOM 228 CD1 PHE A 15 5.950 9.580 -5.204 1.00 0.00 C ATOM 229 CD2 PHE A 15 5.422 11.174 -3.519 1.00 0.00 C ATOM 230 CE1 PHE A 15 7.186 10.170 -5.383 1.00 0.00 C ATOM 231 CE2 PHE A 15 6.657 11.767 -3.696 1.00 0.00 C ATOM 232 CZ PHE A 15 7.539 11.265 -4.627 1.00 0.00 C ATOM 0 H PHE A 15 2.819 8.547 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 15 1.730 9.203 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.339 9.671 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.838 8.337 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.680 8.721 -5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.738 11.573 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.874 9.773 -6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.932 12.627 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.505 11.729 -4.764 1.00 0.00 H new ATOM 242 N GLU A 16 1.606 11.813 -5.972 1.00 0.00 N ATOM 243 CA GLU A 16 1.311 13.243 -6.071 1.00 0.00 C ATOM 244 C GLU A 16 0.110 13.466 -6.978 1.00 0.00 C ATOM 245 O GLU A 16 -0.822 14.166 -6.611 1.00 0.00 O ATOM 246 CB GLU A 16 2.537 13.959 -6.603 1.00 0.00 C ATOM 247 CG GLU A 16 3.714 13.841 -5.687 1.00 0.00 C ATOM 248 CD GLU A 16 4.930 14.589 -6.186 1.00 0.00 C ATOM 249 OE1 GLU A 16 4.769 15.515 -7.004 1.00 0.00 O ATOM 250 OE2 GLU A 16 6.059 14.246 -5.786 1.00 0.00 O ATOM 0 H GLU A 16 1.310 11.277 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 16 1.064 13.644 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.798 13.549 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.302 15.013 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.440 14.220 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.967 12.788 -5.564 1.00 0.00 H new ATOM 257 N PRO A 17 0.076 12.847 -8.167 1.00 0.00 N ATOM 258 CA PRO A 17 -1.127 12.836 -8.955 1.00 0.00 C ATOM 259 C PRO A 17 -2.095 11.844 -8.347 1.00 0.00 C ATOM 260 O PRO A 17 -3.308 11.946 -8.489 1.00 0.00 O ATOM 261 CB PRO A 17 -0.685 12.413 -10.333 1.00 0.00 C ATOM 262 CG PRO A 17 0.585 11.679 -10.140 1.00 0.00 C ATOM 263 CD PRO A 17 1.160 12.093 -8.813 1.00 0.00 C ATOM 0 HA PRO A 17 -1.636 13.799 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.435 11.780 -10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.542 13.278 -10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.411 10.603 -10.162 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.283 11.905 -10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.452 11.227 -8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.051 12.707 -8.940 1.00 0.00 H new ATOM 271 N PHE A 18 -1.511 10.885 -7.644 1.00 0.00 N ATOM 272 CA PHE A 18 -2.261 9.926 -6.870 1.00 0.00 C ATOM 273 C PHE A 18 -2.959 10.641 -5.739 1.00 0.00 C ATOM 274 O PHE A 18 -4.165 10.548 -5.588 1.00 0.00 O ATOM 275 CB PHE A 18 -1.309 8.866 -6.309 1.00 0.00 C ATOM 276 CG PHE A 18 -2.014 7.729 -5.634 1.00 0.00 C ATOM 277 CD1 PHE A 18 -2.337 7.787 -4.287 1.00 0.00 C ATOM 278 CD2 PHE A 18 -2.360 6.613 -6.352 1.00 0.00 C ATOM 279 CE1 PHE A 18 -2.996 6.739 -3.676 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.021 5.559 -5.753 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.339 5.623 -4.411 1.00 0.00 C ATOM 0 H PHE A 18 -0.500 10.756 -7.599 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.003 9.439 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.696 8.473 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.631 9.337 -5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.071 8.660 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.112 6.558 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.242 6.793 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.288 4.688 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.855 4.801 -3.938 1.00 0.00 H new ATOM 291 N MET A 19 -2.184 11.385 -4.973 1.00 0.00 N ATOM 292 CA MET A 19 -2.739 12.190 -3.887 1.00 0.00 C ATOM 293 C MET A 19 -3.700 13.229 -4.434 1.00 0.00 C ATOM 294 O MET A 19 -4.713 13.512 -3.806 1.00 0.00 O ATOM 295 CB MET A 19 -1.648 12.911 -3.087 1.00 0.00 C ATOM 296 CG MET A 19 -0.622 12.006 -2.435 1.00 0.00 C ATOM 297 SD MET A 19 -1.361 10.618 -1.557 1.00 0.00 S ATOM 298 CE MET A 19 0.114 9.776 -0.992 1.00 0.00 C ATOM 0 H MET A 19 -1.172 11.453 -5.077 1.00 0.00 H new ATOM 0 HA MET A 19 -3.261 11.501 -3.223 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.129 13.602 -3.751 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.125 13.511 -2.312 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.056 11.626 -3.199 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.021 12.591 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.083 8.706 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.925 9.949 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.399 10.159 -0.012 1.00 0.00 H new ATOM 308 N LYS A 20 -3.393 13.800 -5.596 1.00 0.00 N ATOM 309 CA LYS A 20 -4.241 14.847 -6.138 1.00 0.00 C ATOM 310 C LYS A 20 -5.603 14.276 -6.511 1.00 0.00 C ATOM 311 O LYS A 20 -6.639 14.887 -6.251 1.00 0.00 O ATOM 312 CB LYS A 20 -3.593 15.560 -7.336 1.00 0.00 C ATOM 313 CG LYS A 20 -3.927 14.990 -8.704 1.00 0.00 C ATOM 314 CD LYS A 20 -3.433 15.933 -9.773 1.00 0.00 C ATOM 315 CE LYS A 20 -2.864 15.194 -10.960 1.00 0.00 C ATOM 316 NZ LYS A 20 -2.410 16.134 -12.016 1.00 0.00 N ATOM 0 H LYS A 20 -2.582 13.560 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.374 15.601 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.893 16.608 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.511 15.536 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.464 14.011 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.004 14.848 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.254 16.570 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.669 16.588 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.027 14.574 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.619 14.522 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.024 15.595 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.215 16.708 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.672 16.758 -11.631 1.00 0.00 H new ATOM 330 N ALA A 21 -5.583 13.094 -7.107 1.00 0.00 N ATOM 331 CA ALA A 21 -6.800 12.376 -7.442 1.00 0.00 C ATOM 332 C ALA A 21 -7.461 11.827 -6.177 1.00 0.00 C ATOM 333 O ALA A 21 -8.657 11.528 -6.150 1.00 0.00 O ATOM 334 CB ALA A 21 -6.485 11.258 -8.418 1.00 0.00 C ATOM 0 H ALA A 21 -4.726 12.608 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.501 13.063 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.401 10.723 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.053 11.679 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.773 10.568 -7.964 1.00 0.00 H new ATOM 340 N MET A 22 -6.650 11.706 -5.135 1.00 0.00 N ATOM 341 CA MET A 22 -7.057 11.148 -3.853 1.00 0.00 C ATOM 342 C MET A 22 -7.750 12.193 -2.969 1.00 0.00 C ATOM 343 O MET A 22 -8.805 11.923 -2.393 1.00 0.00 O ATOM 344 CB MET A 22 -5.817 10.555 -3.169 1.00 0.00 C ATOM 345 CG MET A 22 -5.980 10.273 -1.698 1.00 0.00 C ATOM 346 SD MET A 22 -7.334 9.139 -1.334 1.00 0.00 S ATOM 347 CE MET A 22 -6.863 7.719 -2.319 1.00 0.00 C ATOM 0 H MET A 22 -5.673 11.998 -5.158 1.00 0.00 H new ATOM 0 HA MET A 22 -7.794 10.362 -4.017 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.549 9.627 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.982 11.243 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.051 9.855 -1.310 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.151 11.212 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.440 6.850 -2.003 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.062 7.924 -3.371 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.800 7.518 -2.183 1.00 0.00 H new ATOM 357 N GLY A 23 -7.172 13.382 -2.873 1.00 0.00 N ATOM 358 CA GLY A 23 -7.773 14.428 -2.075 1.00 0.00 C ATOM 359 C GLY A 23 -6.782 15.498 -1.650 1.00 0.00 C ATOM 360 O GLY A 23 -7.168 16.631 -1.357 1.00 0.00 O ATOM 0 H GLY A 23 -6.299 13.640 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.579 14.893 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.224 13.985 -1.187 1.00 0.00 H new ATOM 364 N LEU A 24 -5.507 15.145 -1.604 1.00 0.00 N ATOM 365 CA LEU A 24 -4.468 16.075 -1.223 1.00 0.00 C ATOM 366 C LEU A 24 -3.910 16.757 -2.472 1.00 0.00 C ATOM 367 O LEU A 24 -3.630 16.097 -3.465 1.00 0.00 O ATOM 368 CB LEU A 24 -3.370 15.303 -0.504 1.00 0.00 C ATOM 369 CG LEU A 24 -2.265 16.146 0.108 1.00 0.00 C ATOM 370 CD1 LEU A 24 -2.725 16.733 1.425 1.00 0.00 C ATOM 371 CD2 LEU A 24 -1.013 15.316 0.281 1.00 0.00 C ATOM 0 H LEU A 24 -5.169 14.209 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.868 16.842 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.828 14.708 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.920 14.605 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.030 16.972 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.924 17.335 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.601 17.360 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.981 15.927 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.227 15.930 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.224 14.472 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.684 14.947 -0.690 1.00 0.00 H new ATOM 383 N PRO A 25 -3.760 18.082 -2.455 1.00 0.00 N ATOM 384 CA PRO A 25 -3.258 18.826 -3.609 1.00 0.00 C ATOM 385 C PRO A 25 -1.754 18.672 -3.766 1.00 0.00 C ATOM 386 O PRO A 25 -1.057 18.523 -2.761 1.00 0.00 O ATOM 387 CB PRO A 25 -3.612 20.266 -3.270 1.00 0.00 C ATOM 388 CG PRO A 25 -3.529 20.299 -1.797 1.00 0.00 C ATOM 389 CD PRO A 25 -4.044 18.971 -1.320 1.00 0.00 C ATOM 0 HA PRO A 25 -3.686 18.478 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.917 20.970 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.609 20.529 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.502 20.460 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.125 21.116 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.536 18.643 -0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.109 19.009 -1.093 1.00 0.00 H new ATOM 397 N GLU A 26 -1.250 18.694 -4.998 1.00 0.00 N ATOM 398 CA GLU A 26 0.170 18.494 -5.237 1.00 0.00 C ATOM 399 C GLU A 26 1.012 19.375 -4.346 1.00 0.00 C ATOM 400 O GLU A 26 1.924 18.872 -3.736 1.00 0.00 O ATOM 401 CB GLU A 26 0.520 18.754 -6.694 1.00 0.00 C ATOM 402 CG GLU A 26 1.456 17.717 -7.287 1.00 0.00 C ATOM 403 CD GLU A 26 1.676 17.922 -8.771 1.00 0.00 C ATOM 404 OE1 GLU A 26 0.795 17.532 -9.567 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.729 18.473 -9.150 1.00 0.00 O ATOM 0 H GLU A 26 -1.804 18.848 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 26 0.390 17.453 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.398 18.781 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.981 19.738 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.415 17.759 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.046 16.721 -7.117 1.00 0.00 H new ATOM 412 N ASP A 27 0.671 20.646 -4.197 1.00 0.00 N ATOM 413 CA ASP A 27 1.488 21.547 -3.378 1.00 0.00 C ATOM 414 C ASP A 27 1.551 21.078 -1.924 1.00 0.00 C ATOM 415 O ASP A 27 2.595 21.174 -1.296 1.00 0.00 O ATOM 416 CB ASP A 27 0.976 22.978 -3.473 1.00 0.00 C ATOM 417 CG ASP A 27 1.490 23.884 -2.372 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.700 24.188 -2.359 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.669 24.328 -1.540 1.00 0.00 O ATOM 0 H ASP A 27 -0.150 21.077 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 27 2.504 21.525 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.265 23.394 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.114 22.967 -3.443 1.00 0.00 H new ATOM 424 N LEU A 28 0.470 20.507 -1.407 1.00 0.00 N ATOM 425 CA LEU A 28 0.513 19.940 -0.057 1.00 0.00 C ATOM 426 C LEU A 28 1.350 18.670 -0.056 1.00 0.00 C ATOM 427 O LEU A 28 2.072 18.381 0.898 1.00 0.00 O ATOM 428 CB LEU A 28 -0.890 19.662 0.483 1.00 0.00 C ATOM 429 CG LEU A 28 -1.625 20.903 0.979 1.00 0.00 C ATOM 430 CD1 LEU A 28 -3.073 20.601 1.322 1.00 0.00 C ATOM 431 CD2 LEU A 28 -0.924 21.439 2.195 1.00 0.00 C ATOM 0 H LEU A 28 -0.428 20.423 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 28 0.975 20.673 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.483 19.191 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.817 18.945 1.301 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.619 21.643 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.562 21.511 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.587 20.230 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.111 19.845 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.445 22.326 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.920 20.680 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.102 21.700 1.938 1.00 0.00 H new ATOM 443 N ILE A 29 1.256 17.926 -1.144 1.00 0.00 N ATOM 444 CA ILE A 29 2.093 16.762 -1.357 1.00 0.00 C ATOM 445 C ILE A 29 3.555 17.179 -1.456 1.00 0.00 C ATOM 446 O ILE A 29 4.403 16.640 -0.795 1.00 0.00 O ATOM 447 CB ILE A 29 1.718 16.063 -2.659 1.00 0.00 C ATOM 448 CG1 ILE A 29 0.231 15.812 -2.717 1.00 0.00 C ATOM 449 CG2 ILE A 29 2.447 14.752 -2.771 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.274 15.564 -4.100 1.00 0.00 C ATOM 0 H ILE A 29 0.599 18.112 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 29 1.944 16.087 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 29 2.003 16.711 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.010 14.953 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.292 16.671 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.172 14.261 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.522 14.931 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.176 14.112 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.350 15.391 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.064 16.432 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.222 14.688 -4.517 1.00 0.00 H new ATOM 462 N GLN A 30 3.795 18.204 -2.242 1.00 0.00 N ATOM 463 CA GLN A 30 5.142 18.662 -2.609 1.00 0.00 C ATOM 464 C GLN A 30 6.003 18.902 -1.374 1.00 0.00 C ATOM 465 O GLN A 30 7.194 18.593 -1.367 1.00 0.00 O ATOM 466 CB GLN A 30 5.049 19.963 -3.437 1.00 0.00 C ATOM 467 CG GLN A 30 4.305 19.828 -4.743 1.00 0.00 C ATOM 468 CD GLN A 30 4.798 18.688 -5.610 1.00 0.00 C ATOM 469 OE1 GLN A 30 5.712 18.852 -6.423 1.00 0.00 O ATOM 470 NE2 GLN A 30 4.186 17.533 -5.453 1.00 0.00 N ATOM 0 H GLN A 30 3.052 18.764 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 30 5.611 17.879 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.560 20.727 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.058 20.318 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.245 19.682 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.394 20.761 -5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.435 17.443 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.463 16.729 -6.016 1.00 0.00 H new ATOM 479 N LYS A 31 5.391 19.444 -0.333 1.00 0.00 N ATOM 480 CA LYS A 31 6.077 19.654 0.936 1.00 0.00 C ATOM 481 C LYS A 31 6.362 18.330 1.623 1.00 0.00 C ATOM 482 O LYS A 31 7.476 18.074 2.083 1.00 0.00 O ATOM 483 CB LYS A 31 5.243 20.521 1.860 1.00 0.00 C ATOM 484 CG LYS A 31 5.312 22.004 1.536 1.00 0.00 C ATOM 485 CD LYS A 31 4.710 22.312 0.183 1.00 0.00 C ATOM 486 CE LYS A 31 5.042 23.715 -0.285 1.00 0.00 C ATOM 487 NZ LYS A 31 6.503 23.980 -0.254 1.00 0.00 N ATOM 0 H LYS A 31 4.417 19.748 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 31 7.020 20.157 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.204 20.195 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.576 20.367 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.785 22.569 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.351 22.332 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.075 21.591 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.628 22.194 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.669 23.857 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.529 24.439 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.763 24.585 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.750 24.461 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.020 23.080 -0.316 1.00 0.00 H new ATOM 501 N GLY A 32 5.347 17.484 1.660 1.00 0.00 N ATOM 502 CA GLY A 32 5.403 16.285 2.457 1.00 0.00 C ATOM 503 C GLY A 32 5.254 15.017 1.639 1.00 0.00 C ATOM 504 O GLY A 32 4.586 14.071 2.062 1.00 0.00 O ATOM 0 H GLY A 32 4.476 17.611 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.353 16.256 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.615 16.319 3.209 1.00 0.00 H new ATOM 508 N LYS A 33 5.872 14.997 0.473 1.00 0.00 N ATOM 509 CA LYS A 33 5.582 13.977 -0.529 1.00 0.00 C ATOM 510 C LYS A 33 6.277 12.649 -0.256 1.00 0.00 C ATOM 511 O LYS A 33 5.670 11.586 -0.365 1.00 0.00 O ATOM 512 CB LYS A 33 5.977 14.491 -1.908 1.00 0.00 C ATOM 513 CG LYS A 33 7.434 14.803 -2.058 1.00 0.00 C ATOM 514 CD LYS A 33 7.707 15.428 -3.405 1.00 0.00 C ATOM 515 CE LYS A 33 9.188 15.482 -3.719 1.00 0.00 C ATOM 516 NZ LYS A 33 9.825 14.143 -3.627 1.00 0.00 N ATOM 0 H LYS A 33 6.580 15.675 0.192 1.00 0.00 H new ATOM 0 HA LYS A 33 4.510 13.784 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.699 13.746 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.401 15.390 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.750 15.481 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.020 13.890 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.193 14.858 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.295 16.437 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.332 15.884 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.681 16.166 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.665 14.115 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.108 13.960 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.149 13.415 -3.933 1.00 0.00 H new ATOM 530 N ASP A 34 7.540 12.706 0.129 1.00 0.00 N ATOM 531 CA ASP A 34 8.330 11.490 0.243 1.00 0.00 C ATOM 532 C ASP A 34 8.583 11.109 1.693 1.00 0.00 C ATOM 533 O ASP A 34 9.716 10.828 2.092 1.00 0.00 O ATOM 534 CB ASP A 34 9.651 11.597 -0.532 1.00 0.00 C ATOM 535 CG ASP A 34 10.437 12.857 -0.234 1.00 0.00 C ATOM 536 OD1 ASP A 34 11.183 12.890 0.766 1.00 0.00 O ATOM 537 OD2 ASP A 34 10.334 13.817 -1.026 1.00 0.00 O ATOM 0 H ASP A 34 8.035 13.566 0.365 1.00 0.00 H new ATOM 0 HA ASP A 34 7.741 10.692 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.270 10.731 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.438 11.557 -1.600 1.00 0.00 H new ATOM 542 N ILE A 35 7.511 11.056 2.467 1.00 0.00 N ATOM 543 CA ILE A 35 7.597 10.654 3.858 1.00 0.00 C ATOM 544 C ILE A 35 7.686 9.135 3.945 1.00 0.00 C ATOM 545 O ILE A 35 6.777 8.421 3.524 1.00 0.00 O ATOM 546 CB ILE A 35 6.379 11.150 4.664 1.00 0.00 C ATOM 547 CG1 ILE A 35 6.279 12.669 4.582 1.00 0.00 C ATOM 548 CG2 ILE A 35 6.511 10.728 6.117 1.00 0.00 C ATOM 549 CD1 ILE A 35 7.227 13.356 5.515 1.00 0.00 C ATOM 0 H ILE A 35 6.569 11.288 2.152 1.00 0.00 H new ATOM 0 HA ILE A 35 8.492 11.104 4.287 1.00 0.00 H new ATOM 0 HB ILE A 35 5.477 10.708 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.484 12.989 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.259 12.976 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.647 11.082 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.562 9.641 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.419 11.158 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.115 14.436 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.007 13.060 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.250 13.073 5.268 1.00 0.00 H new ATOM 561 N LYS A 36 8.793 8.658 4.488 1.00 0.00 N ATOM 562 CA LYS A 36 9.107 7.241 4.473 1.00 0.00 C ATOM 563 C LYS A 36 8.773 6.593 5.809 1.00 0.00 C ATOM 564 O LYS A 36 9.313 6.965 6.852 1.00 0.00 O ATOM 565 CB LYS A 36 10.578 7.061 4.127 1.00 0.00 C ATOM 566 CG LYS A 36 10.938 7.738 2.828 1.00 0.00 C ATOM 567 CD LYS A 36 12.396 7.585 2.503 1.00 0.00 C ATOM 568 CE LYS A 36 12.704 8.336 1.238 1.00 0.00 C ATOM 569 NZ LYS A 36 12.557 9.808 1.412 1.00 0.00 N ATOM 0 H LYS A 36 9.494 9.238 4.948 1.00 0.00 H new ATOM 0 HA LYS A 36 8.499 6.746 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.192 7.468 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.807 5.998 4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.340 7.316 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.689 8.797 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.005 7.965 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.645 6.531 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.722 8.109 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.039 7.997 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.014 10.299 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.547 10.055 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.007 10.099 2.303 1.00 0.00 H new ATOM 583 N GLY A 37 7.867 5.630 5.768 1.00 0.00 N ATOM 584 CA GLY A 37 7.426 4.974 6.977 1.00 0.00 C ATOM 585 C GLY A 37 7.766 3.502 6.992 1.00 0.00 C ATOM 586 O GLY A 37 8.626 3.052 6.236 1.00 0.00 O ATOM 0 H GLY A 37 7.427 5.290 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.886 5.459 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.348 5.096 7.080 1.00 0.00 H new ATOM 590 N VAL A 38 7.085 2.742 7.836 1.00 0.00 N ATOM 591 CA VAL A 38 7.412 1.334 8.011 1.00 0.00 C ATOM 592 C VAL A 38 6.187 0.465 7.785 1.00 0.00 C ATOM 593 O VAL A 38 5.096 0.804 8.230 1.00 0.00 O ATOM 594 CB VAL A 38 7.975 1.062 9.423 1.00 0.00 C ATOM 595 CG1 VAL A 38 8.430 -0.369 9.571 1.00 0.00 C ATOM 596 CG2 VAL A 38 9.090 2.029 9.751 1.00 0.00 C ATOM 0 H VAL A 38 6.308 3.073 8.407 1.00 0.00 H new ATOM 0 HA VAL A 38 8.174 1.084 7.273 1.00 0.00 H new ATOM 0 HB VAL A 38 7.169 1.221 10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.820 -0.525 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.587 -1.038 9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.212 -0.579 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.472 1.819 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.895 1.917 9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.709 3.050 9.715 1.00 0.00 H new ATOM 606 N SER A 39 6.371 -0.637 7.082 1.00 0.00 N ATOM 607 CA SER A 39 5.308 -1.603 6.887 1.00 0.00 C ATOM 608 C SER A 39 5.618 -2.870 7.660 1.00 0.00 C ATOM 609 O SER A 39 6.745 -3.321 7.690 1.00 0.00 O ATOM 610 CB SER A 39 5.114 -1.908 5.401 1.00 0.00 C ATOM 611 OG SER A 39 4.350 -3.081 5.203 1.00 0.00 O ATOM 0 H SER A 39 7.253 -0.886 6.634 1.00 0.00 H new ATOM 0 HA SER A 39 4.377 -1.180 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.619 -1.065 4.918 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.087 -2.022 4.923 1.00 0.00 H new ATOM 0 HG SER A 39 4.244 -3.244 4.243 1.00 0.00 H new ATOM 617 N GLU A 40 4.631 -3.384 8.353 1.00 0.00 N ATOM 618 CA GLU A 40 4.767 -4.612 9.100 1.00 0.00 C ATOM 619 C GLU A 40 3.536 -5.476 8.891 1.00 0.00 C ATOM 620 O GLU A 40 2.436 -5.088 9.242 1.00 0.00 O ATOM 621 CB GLU A 40 4.930 -4.269 10.564 1.00 0.00 C ATOM 622 CG GLU A 40 6.033 -3.291 10.820 1.00 0.00 C ATOM 623 CD GLU A 40 6.336 -3.083 12.285 1.00 0.00 C ATOM 624 OE1 GLU A 40 7.108 -3.879 12.851 1.00 0.00 O ATOM 625 OE2 GLU A 40 5.822 -2.110 12.872 1.00 0.00 O ATOM 0 H GLU A 40 3.705 -2.960 8.415 1.00 0.00 H new ATOM 0 HA GLU A 40 5.639 -5.168 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.994 -3.858 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.126 -5.183 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.936 -3.637 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.767 -2.333 10.374 1.00 0.00 H new ATOM 632 N ILE A 41 3.728 -6.662 8.385 1.00 0.00 N ATOM 633 CA ILE A 41 2.619 -7.482 7.931 1.00 0.00 C ATOM 634 C ILE A 41 2.612 -8.838 8.612 1.00 0.00 C ATOM 635 O ILE A 41 3.664 -9.392 8.907 1.00 0.00 O ATOM 636 CB ILE A 41 2.679 -7.704 6.416 1.00 0.00 C ATOM 637 CG1 ILE A 41 2.858 -6.373 5.696 1.00 0.00 C ATOM 638 CG2 ILE A 41 1.411 -8.398 5.943 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.353 -6.536 4.284 1.00 0.00 C ATOM 0 H ILE A 41 4.646 -7.093 8.272 1.00 0.00 H new ATOM 0 HA ILE A 41 1.709 -6.942 8.190 1.00 0.00 H new ATOM 0 HB ILE A 41 3.533 -8.340 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.907 -5.841 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.562 -5.755 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.461 -8.552 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.315 -9.362 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.547 -7.778 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.462 -5.555 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.318 -7.042 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.638 -7.129 3.714 1.00 0.00 H new ATOM 651 N VAL A 42 1.433 -9.324 8.941 1.00 0.00 N ATOM 652 CA VAL A 42 1.258 -10.720 9.301 1.00 0.00 C ATOM 653 C VAL A 42 0.466 -11.439 8.207 1.00 0.00 C ATOM 654 O VAL A 42 -0.696 -11.108 7.967 1.00 0.00 O ATOM 655 CB VAL A 42 0.543 -10.875 10.657 1.00 0.00 C ATOM 656 CG1 VAL A 42 0.320 -12.345 10.984 1.00 0.00 C ATOM 657 CG2 VAL A 42 1.353 -10.200 11.750 1.00 0.00 C ATOM 0 H VAL A 42 0.576 -8.771 8.967 1.00 0.00 H new ATOM 0 HA VAL A 42 2.247 -11.169 9.396 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.433 -10.393 10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.186 -12.431 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.295 -12.801 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.281 -12.857 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.841 -10.314 12.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.339 -10.661 11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.461 -9.140 11.521 1.00 0.00 H new ATOM 667 N HIS A 43 1.087 -12.398 7.518 1.00 0.00 N ATOM 668 CA HIS A 43 0.368 -13.177 6.522 1.00 0.00 C ATOM 669 C HIS A 43 -0.135 -14.470 7.151 1.00 0.00 C ATOM 670 O HIS A 43 0.635 -15.357 7.511 1.00 0.00 O ATOM 671 CB HIS A 43 1.245 -13.473 5.270 1.00 0.00 C ATOM 672 CG HIS A 43 0.574 -14.347 4.236 1.00 0.00 C ATOM 673 ND1 HIS A 43 1.269 -14.987 3.234 1.00 0.00 N ATOM 674 CD2 HIS A 43 -0.729 -14.691 4.057 1.00 0.00 C ATOM 675 CE1 HIS A 43 0.429 -15.683 2.488 1.00 0.00 C ATOM 676 NE2 HIS A 43 -0.790 -15.521 2.964 1.00 0.00 N ATOM 0 H HIS A 43 2.069 -12.647 7.632 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.483 -12.588 6.179 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.524 -12.528 4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.168 -13.955 5.593 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.277 -14.932 3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.563 -14.370 4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.696 -16.284 1.631 1.00 0.00 H new ATOM 685 N GLU A 44 -1.446 -14.538 7.264 1.00 0.00 N ATOM 686 CA GLU A 44 -2.159 -15.714 7.726 1.00 0.00 C ATOM 687 C GLU A 44 -3.104 -16.135 6.621 1.00 0.00 C ATOM 688 O GLU A 44 -3.571 -15.278 5.875 1.00 0.00 O ATOM 689 CB GLU A 44 -2.953 -15.421 9.001 1.00 0.00 C ATOM 690 CG GLU A 44 -2.107 -15.012 10.182 1.00 0.00 C ATOM 691 CD GLU A 44 -2.951 -14.538 11.345 1.00 0.00 C ATOM 692 OE1 GLU A 44 -3.565 -15.385 12.028 1.00 0.00 O ATOM 693 OE2 GLU A 44 -3.011 -13.314 11.584 1.00 0.00 O ATOM 0 H GLU A 44 -2.061 -13.758 7.032 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.447 -16.505 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.672 -14.629 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.526 -16.309 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.494 -15.856 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.424 -14.217 9.881 1.00 0.00 H new ATOM 700 N GLY A 45 -3.292 -17.442 6.456 1.00 0.00 N ATOM 701 CA GLY A 45 -4.206 -17.963 5.443 1.00 0.00 C ATOM 702 C GLY A 45 -5.442 -17.099 5.251 1.00 0.00 C ATOM 703 O GLY A 45 -6.345 -17.074 6.087 1.00 0.00 O ATOM 0 H GLY A 45 -2.824 -18.159 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.677 -18.045 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.514 -18.970 5.724 1.00 0.00 H new ATOM 707 N LYS A 46 -5.432 -16.383 4.131 1.00 0.00 N ATOM 708 CA LYS A 46 -6.450 -15.404 3.734 1.00 0.00 C ATOM 709 C LYS A 46 -6.399 -14.113 4.535 1.00 0.00 C ATOM 710 O LYS A 46 -6.566 -13.039 3.975 1.00 0.00 O ATOM 711 CB LYS A 46 -7.868 -15.927 3.727 1.00 0.00 C ATOM 712 CG LYS A 46 -8.005 -17.340 3.230 1.00 0.00 C ATOM 713 CD LYS A 46 -9.420 -17.622 2.775 1.00 0.00 C ATOM 714 CE LYS A 46 -10.394 -17.264 3.868 1.00 0.00 C ATOM 715 NZ LYS A 46 -11.751 -17.814 3.615 1.00 0.00 N ATOM 0 H LYS A 46 -4.684 -16.470 3.443 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.175 -15.190 2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.269 -15.870 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.480 -15.274 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.314 -17.507 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.729 -18.036 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.643 -17.048 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.524 -18.675 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.023 -17.642 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.455 -16.179 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.386 -17.542 4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.118 -17.434 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.700 -18.851 3.556 1.00 0.00 H new ATOM 729 N LYS A 47 -6.185 -14.197 5.823 1.00 0.00 N ATOM 730 CA LYS A 47 -6.203 -12.995 6.640 1.00 0.00 C ATOM 731 C LYS A 47 -4.805 -12.400 6.793 1.00 0.00 C ATOM 732 O LYS A 47 -3.956 -12.924 7.511 1.00 0.00 O ATOM 733 CB LYS A 47 -6.838 -13.294 7.995 1.00 0.00 C ATOM 734 CG LYS A 47 -6.511 -14.675 8.523 1.00 0.00 C ATOM 735 CD LYS A 47 -7.592 -15.189 9.449 1.00 0.00 C ATOM 736 CE LYS A 47 -8.889 -15.423 8.689 1.00 0.00 C ATOM 737 NZ LYS A 47 -9.770 -14.219 8.675 1.00 0.00 N ATOM 0 H LYS A 47 -5.999 -15.064 6.328 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.810 -12.244 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.503 -12.549 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.920 -13.193 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.389 -15.365 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.560 -14.646 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.266 -16.119 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.760 -14.472 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.658 -15.712 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.426 -16.257 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.685 -14.454 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.318 -13.452 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.922 -13.911 7.693 1.00 0.00 H new ATOM 751 N VAL A 48 -4.592 -11.286 6.115 1.00 0.00 N ATOM 752 CA VAL A 48 -3.299 -10.630 6.087 1.00 0.00 C ATOM 753 C VAL A 48 -3.397 -9.246 6.715 1.00 0.00 C ATOM 754 O VAL A 48 -4.220 -8.429 6.309 1.00 0.00 O ATOM 755 CB VAL A 48 -2.781 -10.516 4.637 1.00 0.00 C ATOM 756 CG1 VAL A 48 -1.429 -9.802 4.583 1.00 0.00 C ATOM 757 CG2 VAL A 48 -2.662 -11.895 4.015 1.00 0.00 C ATOM 0 H VAL A 48 -5.311 -10.812 5.569 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.595 -11.231 6.663 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.500 -9.924 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.092 -9.738 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.531 -8.798 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.699 -10.361 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.296 -11.803 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.965 -12.498 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.640 -12.377 4.008 1.00 0.00 H new ATOM 767 N LYS A 49 -2.564 -8.994 7.712 1.00 0.00 N ATOM 768 CA LYS A 49 -2.596 -7.740 8.438 1.00 0.00 C ATOM 769 C LYS A 49 -1.354 -6.924 8.133 1.00 0.00 C ATOM 770 O LYS A 49 -0.239 -7.367 8.366 1.00 0.00 O ATOM 771 CB LYS A 49 -2.653 -8.006 9.923 1.00 0.00 C ATOM 772 CG LYS A 49 -3.751 -8.959 10.344 1.00 0.00 C ATOM 773 CD LYS A 49 -3.534 -9.459 11.761 1.00 0.00 C ATOM 774 CE LYS A 49 -4.699 -10.313 12.238 1.00 0.00 C ATOM 775 NZ LYS A 49 -4.928 -11.493 11.363 1.00 0.00 N ATOM 0 H LYS A 49 -1.853 -9.649 8.037 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.481 -7.185 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.694 -8.411 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.790 -7.059 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.716 -8.457 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.783 -9.806 9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.613 -10.041 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.406 -8.609 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.506 -10.650 13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.603 -9.705 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.574 -12.156 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.349 -11.182 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.022 -11.967 11.175 1.00 0.00 H new ATOM 789 N LEU A 50 -1.568 -5.731 7.653 1.00 0.00 N ATOM 790 CA LEU A 50 -0.493 -4.833 7.249 1.00 0.00 C ATOM 791 C LEU A 50 -0.449 -3.643 8.179 1.00 0.00 C ATOM 792 O LEU A 50 -1.465 -3.002 8.421 1.00 0.00 O ATOM 793 CB LEU A 50 -0.734 -4.373 5.808 1.00 0.00 C ATOM 794 CG LEU A 50 0.497 -4.040 4.972 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.094 -3.610 3.581 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.311 -2.975 5.633 1.00 0.00 C ATOM 0 H LEU A 50 -2.501 -5.339 7.525 1.00 0.00 H new ATOM 0 HA LEU A 50 0.463 -5.354 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.293 -5.154 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.373 -3.490 5.837 1.00 0.00 H new ATOM 0 HG LEU A 50 1.108 -4.939 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.986 -3.377 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.455 -4.417 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.540 -2.726 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.185 -2.752 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.708 -2.074 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.635 -3.321 6.615 1.00 0.00 H new ATOM 808 N THR A 51 0.715 -3.359 8.721 1.00 0.00 N ATOM 809 CA THR A 51 0.876 -2.166 9.498 1.00 0.00 C ATOM 810 C THR A 51 1.778 -1.228 8.735 1.00 0.00 C ATOM 811 O THR A 51 2.859 -1.606 8.338 1.00 0.00 O ATOM 812 CB THR A 51 1.503 -2.467 10.877 1.00 0.00 C ATOM 813 OG1 THR A 51 0.885 -3.632 11.443 1.00 0.00 O ATOM 814 CG2 THR A 51 1.326 -1.290 11.824 1.00 0.00 C ATOM 0 H THR A 51 1.552 -3.936 8.635 1.00 0.00 H new ATOM 0 HA THR A 51 -0.104 -1.720 9.669 1.00 0.00 H new ATOM 0 HB THR A 51 2.570 -2.643 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.180 -4.429 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.776 -1.528 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.811 -0.409 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.263 -1.089 11.960 1.00 0.00 H new ATOM 822 N ILE A 52 1.332 -0.034 8.488 1.00 0.00 N ATOM 823 CA ILE A 52 2.137 0.921 7.787 1.00 0.00 C ATOM 824 C ILE A 52 2.128 2.230 8.549 1.00 0.00 C ATOM 825 O ILE A 52 1.089 2.808 8.789 1.00 0.00 O ATOM 826 CB ILE A 52 1.595 1.074 6.354 1.00 0.00 C ATOM 827 CG1 ILE A 52 2.274 0.100 5.402 1.00 0.00 C ATOM 828 CG2 ILE A 52 1.712 2.493 5.867 1.00 0.00 C ATOM 829 CD1 ILE A 52 1.849 0.299 3.971 1.00 0.00 C ATOM 0 H ILE A 52 0.410 0.304 8.763 1.00 0.00 H new ATOM 0 HA ILE A 52 3.172 0.587 7.717 1.00 0.00 H new ATOM 0 HB ILE A 52 0.534 0.827 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.355 0.219 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.044 -0.921 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.320 2.563 4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.142 3.151 6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.759 2.794 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.363 -0.422 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.772 0.153 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.104 1.310 3.653 1.00 0.00 H new ATOM 841 N THR A 53 3.285 2.682 8.948 1.00 0.00 N ATOM 842 CA THR A 53 3.389 3.919 9.660 1.00 0.00 C ATOM 843 C THR A 53 3.794 5.009 8.684 1.00 0.00 C ATOM 844 O THR A 53 4.767 4.863 7.952 1.00 0.00 O ATOM 845 CB THR A 53 4.451 3.779 10.767 1.00 0.00 C ATOM 846 OG1 THR A 53 4.137 2.655 11.602 1.00 0.00 O ATOM 847 CG2 THR A 53 4.507 5.022 11.599 1.00 0.00 C ATOM 0 H THR A 53 4.173 2.206 8.789 1.00 0.00 H new ATOM 0 HA THR A 53 2.433 4.176 10.116 1.00 0.00 H new ATOM 0 HB THR A 53 5.423 3.625 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.816 2.569 12.303 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.262 4.906 12.376 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.764 5.872 10.967 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.535 5.195 12.061 1.00 0.00 H new ATOM 855 N TYR A 54 3.033 6.083 8.660 1.00 0.00 N ATOM 856 CA TYR A 54 3.345 7.218 7.823 1.00 0.00 C ATOM 857 C TYR A 54 3.503 8.450 8.684 1.00 0.00 C ATOM 858 O TYR A 54 2.522 8.974 9.209 1.00 0.00 O ATOM 859 CB TYR A 54 2.246 7.442 6.775 1.00 0.00 C ATOM 860 CG TYR A 54 2.339 8.790 6.087 1.00 0.00 C ATOM 861 CD1 TYR A 54 3.213 8.997 5.030 1.00 0.00 C ATOM 862 CD2 TYR A 54 1.562 9.860 6.512 1.00 0.00 C ATOM 863 CE1 TYR A 54 3.311 10.231 4.416 1.00 0.00 C ATOM 864 CE2 TYR A 54 1.654 11.097 5.904 1.00 0.00 C ATOM 865 CZ TYR A 54 2.530 11.278 4.856 1.00 0.00 C ATOM 866 OH TYR A 54 2.627 12.509 4.244 1.00 0.00 O ATOM 0 H TYR A 54 2.186 6.192 9.217 1.00 0.00 H new ATOM 0 HA TYR A 54 4.279 7.020 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.304 6.654 6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.272 7.354 7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.827 8.180 4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.873 9.722 7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.997 10.375 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.042 11.918 6.248 1.00 0.00 H new ATOM 0 HH TYR A 54 2.009 13.137 4.673 1.00 0.00 H new ATOM 876 N GLY A 55 4.736 8.902 8.824 1.00 0.00 N ATOM 877 CA GLY A 55 5.013 10.098 9.585 1.00 0.00 C ATOM 878 C GLY A 55 4.512 10.023 11.017 1.00 0.00 C ATOM 879 O GLY A 55 5.205 9.518 11.902 1.00 0.00 O ATOM 0 H GLY A 55 5.559 8.456 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.088 10.276 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.551 10.952 9.089 1.00 0.00 H new ATOM 883 N SER A 56 3.305 10.525 11.237 1.00 0.00 N ATOM 884 CA SER A 56 2.705 10.562 12.561 1.00 0.00 C ATOM 885 C SER A 56 1.613 9.500 12.702 1.00 0.00 C ATOM 886 O SER A 56 1.285 9.068 13.809 1.00 0.00 O ATOM 887 CB SER A 56 2.092 11.943 12.795 1.00 0.00 C ATOM 888 OG SER A 56 1.738 12.134 14.155 1.00 0.00 O ATOM 0 H SER A 56 2.716 10.917 10.503 1.00 0.00 H new ATOM 0 HA SER A 56 3.482 10.359 13.298 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.802 12.713 12.492 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.208 12.060 12.168 1.00 0.00 H new ATOM 0 HG SER A 56 1.351 13.027 14.270 1.00 0.00 H new ATOM 894 N LYS A 57 1.055 9.082 11.575 1.00 0.00 N ATOM 895 CA LYS A 57 -0.124 8.236 11.567 1.00 0.00 C ATOM 896 C LYS A 57 0.197 6.838 11.047 1.00 0.00 C ATOM 897 O LYS A 57 0.843 6.682 10.016 1.00 0.00 O ATOM 898 CB LYS A 57 -1.195 8.884 10.694 1.00 0.00 C ATOM 899 CG LYS A 57 -2.520 9.138 11.395 1.00 0.00 C ATOM 900 CD LYS A 57 -3.108 7.884 12.035 1.00 0.00 C ATOM 901 CE LYS A 57 -3.470 6.818 11.025 1.00 0.00 C ATOM 902 NZ LYS A 57 -4.332 7.313 9.919 1.00 0.00 N ATOM 0 H LYS A 57 1.406 9.319 10.647 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.486 8.133 12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.812 9.832 10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.374 8.246 9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.378 9.898 12.163 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.233 9.541 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.390 7.475 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.998 8.156 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.554 6.403 10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.982 6.003 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.009 6.571 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.851 8.157 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.740 7.557 9.100 1.00 0.00 H new ATOM 916 N VAL A 58 -0.267 5.827 11.757 1.00 0.00 N ATOM 917 CA VAL A 58 -0.123 4.454 11.323 1.00 0.00 C ATOM 918 C VAL A 58 -1.391 3.977 10.650 1.00 0.00 C ATOM 919 O VAL A 58 -2.482 4.029 11.214 1.00 0.00 O ATOM 920 CB VAL A 58 0.222 3.519 12.504 1.00 0.00 C ATOM 921 CG1 VAL A 58 0.221 2.071 12.076 1.00 0.00 C ATOM 922 CG2 VAL A 58 1.563 3.897 13.112 1.00 0.00 C ATOM 0 H VAL A 58 -0.752 5.936 12.647 1.00 0.00 H new ATOM 0 HA VAL A 58 0.700 4.421 10.609 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.550 3.642 13.264 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.467 1.439 12.929 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.766 1.804 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.961 1.923 11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.788 3.227 13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.343 3.812 12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.521 4.924 13.476 1.00 0.00 H new ATOM 932 N ILE A 59 -1.209 3.496 9.442 1.00 0.00 N ATOM 933 CA ILE A 59 -2.250 2.963 8.642 1.00 0.00 C ATOM 934 C ILE A 59 -2.199 1.444 8.743 1.00 0.00 C ATOM 935 O ILE A 59 -1.205 0.795 8.412 1.00 0.00 O ATOM 936 CB ILE A 59 -2.098 3.458 7.172 1.00 0.00 C ATOM 937 CG1 ILE A 59 -1.950 2.310 6.166 1.00 0.00 C ATOM 938 CG2 ILE A 59 -0.941 4.433 7.034 1.00 0.00 C ATOM 939 CD1 ILE A 59 -1.652 2.761 4.751 1.00 0.00 C ATOM 0 H ILE A 59 -0.296 3.471 8.988 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.224 3.304 8.993 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.026 3.976 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.151 1.649 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.869 1.723 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.862 4.759 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.116 5.298 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.014 3.942 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.562 1.889 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.462 3.397 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.717 3.321 4.737 1.00 0.00 H new ATOM 951 N HIS A 60 -3.246 0.903 9.308 1.00 0.00 N ATOM 952 CA HIS A 60 -3.364 -0.538 9.496 1.00 0.00 C ATOM 953 C HIS A 60 -4.299 -1.135 8.449 1.00 0.00 C ATOM 954 O HIS A 60 -5.433 -0.684 8.278 1.00 0.00 O ATOM 955 CB HIS A 60 -3.858 -0.862 10.914 1.00 0.00 C ATOM 956 CG HIS A 60 -4.962 0.033 11.400 1.00 0.00 C ATOM 957 ND1 HIS A 60 -6.186 0.127 10.783 1.00 0.00 N ATOM 958 CD2 HIS A 60 -5.006 0.888 12.446 1.00 0.00 C ATOM 959 CE1 HIS A 60 -6.935 1.000 11.424 1.00 0.00 C ATOM 960 NE2 HIS A 60 -6.244 1.478 12.440 1.00 0.00 N ATOM 0 H HIS A 60 -4.043 1.437 9.653 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.377 -0.984 9.371 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.205 -1.895 10.939 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.018 -0.792 11.605 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.471 -0.398 9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.213 1.072 13.155 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.945 1.278 11.162 1.00 0.00 H new ATOM 969 N ASN A 61 -3.825 -2.144 7.739 1.00 0.00 N ATOM 970 CA ASN A 61 -4.565 -2.707 6.618 1.00 0.00 C ATOM 971 C ASN A 61 -4.696 -4.215 6.769 1.00 0.00 C ATOM 972 O ASN A 61 -3.782 -4.951 6.422 1.00 0.00 O ATOM 973 CB ASN A 61 -3.850 -2.425 5.284 1.00 0.00 C ATOM 974 CG ASN A 61 -3.349 -0.998 5.123 1.00 0.00 C ATOM 975 OD1 ASN A 61 -2.359 -0.758 4.430 1.00 0.00 O ATOM 976 ND2 ASN A 61 -4.013 -0.043 5.751 1.00 0.00 N ATOM 0 H ASN A 61 -2.927 -2.593 7.918 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.549 -2.239 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.004 -3.106 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.534 -2.650 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.710 0.927 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.829 -0.276 6.317 1.00 0.00 H new ATOM 983 N GLU A 62 -5.817 -4.686 7.283 1.00 0.00 N ATOM 984 CA GLU A 62 -6.053 -6.106 7.343 1.00 0.00 C ATOM 985 C GLU A 62 -7.040 -6.496 6.259 1.00 0.00 C ATOM 986 O GLU A 62 -8.139 -5.943 6.171 1.00 0.00 O ATOM 987 CB GLU A 62 -6.568 -6.517 8.721 1.00 0.00 C ATOM 988 CG GLU A 62 -7.251 -7.867 8.713 1.00 0.00 C ATOM 989 CD GLU A 62 -7.671 -8.330 10.089 1.00 0.00 C ATOM 990 OE1 GLU A 62 -8.556 -7.687 10.693 1.00 0.00 O ATOM 991 OE2 GLU A 62 -7.127 -9.342 10.572 1.00 0.00 O ATOM 0 H GLU A 62 -6.568 -4.108 7.660 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.112 -6.631 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.735 -6.541 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.268 -5.763 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.129 -7.819 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.577 -8.605 8.278 1.00 0.00 H new ATOM 998 N PHE A 63 -6.642 -7.452 5.443 1.00 0.00 N ATOM 999 CA PHE A 63 -7.452 -7.896 4.330 1.00 0.00 C ATOM 1000 C PHE A 63 -7.591 -9.401 4.354 1.00 0.00 C ATOM 1001 O PHE A 63 -6.737 -10.109 4.887 1.00 0.00 O ATOM 1002 CB PHE A 63 -6.830 -7.506 2.986 1.00 0.00 C ATOM 1003 CG PHE A 63 -6.355 -6.083 2.884 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -7.154 -5.034 3.295 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -5.104 -5.803 2.361 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -6.719 -3.730 3.187 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -4.662 -4.501 2.246 1.00 0.00 C ATOM 1008 CZ PHE A 63 -5.471 -3.462 2.660 1.00 0.00 C ATOM 0 H PHE A 63 -5.751 -7.940 5.534 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.424 -7.413 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.986 -8.168 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.564 -7.683 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.132 -5.238 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.467 -6.613 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.353 -2.919 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.685 -4.295 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.129 -2.441 2.572 1.00 0.00 H new ATOM 1018 N THR A 64 -8.680 -9.880 3.799 1.00 0.00 N ATOM 1019 CA THR A 64 -8.850 -11.288 3.564 1.00 0.00 C ATOM 1020 C THR A 64 -8.851 -11.521 2.061 1.00 0.00 C ATOM 1021 O THR A 64 -9.611 -10.886 1.337 1.00 0.00 O ATOM 1022 CB THR A 64 -10.158 -11.811 4.177 1.00 0.00 C ATOM 1023 OG1 THR A 64 -10.359 -11.217 5.466 1.00 0.00 O ATOM 1024 CG2 THR A 64 -10.110 -13.324 4.330 1.00 0.00 C ATOM 0 H THR A 64 -9.467 -9.305 3.500 1.00 0.00 H new ATOM 0 HA THR A 64 -8.032 -11.830 4.039 1.00 0.00 H new ATOM 0 HB THR A 64 -10.980 -11.546 3.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.195 -11.551 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.045 -13.675 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.970 -13.784 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.281 -13.598 4.982 1.00 0.00 H new ATOM 1032 N LEU A 65 -7.938 -12.364 1.598 1.00 0.00 N ATOM 1033 CA LEU A 65 -7.828 -12.685 0.166 1.00 0.00 C ATOM 1034 C LEU A 65 -9.184 -12.991 -0.455 1.00 0.00 C ATOM 1035 O LEU A 65 -9.922 -13.856 0.019 1.00 0.00 O ATOM 1036 CB LEU A 65 -6.924 -13.891 -0.080 1.00 0.00 C ATOM 1037 CG LEU A 65 -6.001 -14.273 1.053 1.00 0.00 C ATOM 1038 CD1 LEU A 65 -5.195 -15.509 0.685 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -5.092 -13.116 1.400 1.00 0.00 C ATOM 0 H LEU A 65 -7.258 -12.843 2.188 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.399 -11.797 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.554 -14.750 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.318 -13.691 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.601 -14.510 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.535 -15.772 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.873 -16.339 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.599 -15.303 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.432 -13.405 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.494 -12.849 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.693 -12.259 1.704 1.00 0.00 H new ATOM 1051 N GLY A 66 -9.487 -12.273 -1.517 1.00 0.00 N ATOM 1052 CA GLY A 66 -10.697 -12.510 -2.268 1.00 0.00 C ATOM 1053 C GLY A 66 -11.903 -11.838 -1.653 1.00 0.00 C ATOM 1054 O GLY A 66 -13.037 -12.149 -2.007 1.00 0.00 O ATOM 0 H GLY A 66 -8.906 -11.517 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.564 -12.148 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.877 -13.583 -2.332 1.00 0.00 H new ATOM 1058 N GLU A 67 -11.659 -10.890 -0.763 1.00 0.00 N ATOM 1059 CA GLU A 67 -12.728 -10.278 0.011 1.00 0.00 C ATOM 1060 C GLU A 67 -12.684 -8.771 -0.145 1.00 0.00 C ATOM 1061 O GLU A 67 -11.629 -8.205 -0.445 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.590 -10.650 1.475 1.00 0.00 C ATOM 1063 CG GLU A 67 -12.698 -12.140 1.721 1.00 0.00 C ATOM 1064 CD GLU A 67 -14.102 -12.687 1.561 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -14.605 -12.763 0.422 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -14.706 -13.064 2.587 1.00 0.00 O ATOM 0 H GLU A 67 -10.728 -10.527 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.685 -10.646 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.628 -10.295 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.361 -10.136 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.034 -12.662 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.346 -12.359 2.729 1.00 0.00 H new ATOM 1073 N GLU A 68 -13.822 -8.119 0.031 1.00 0.00 N ATOM 1074 CA GLU A 68 -13.849 -6.670 0.027 1.00 0.00 C ATOM 1075 C GLU A 68 -13.389 -6.173 1.380 1.00 0.00 C ATOM 1076 O GLU A 68 -13.985 -6.484 2.413 1.00 0.00 O ATOM 1077 CB GLU A 68 -15.245 -6.133 -0.269 1.00 0.00 C ATOM 1078 CG GLU A 68 -15.268 -4.700 -0.805 1.00 0.00 C ATOM 1079 CD GLU A 68 -16.675 -4.171 -0.957 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -17.303 -3.834 0.069 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -17.164 -4.088 -2.100 1.00 0.00 O ATOM 0 H GLU A 68 -14.727 -8.566 0.177 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.185 -6.313 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.727 -6.788 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.839 -6.177 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.709 -4.052 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.763 -4.667 -1.770 1.00 0.00 H new ATOM 1088 N CYS A 69 -12.320 -5.429 1.361 1.00 0.00 N ATOM 1089 CA CYS A 69 -11.734 -4.881 2.563 1.00 0.00 C ATOM 1090 C CYS A 69 -11.447 -3.436 2.333 1.00 0.00 C ATOM 1091 O CYS A 69 -11.318 -2.983 1.196 1.00 0.00 O ATOM 1092 CB CYS A 69 -10.459 -5.637 2.924 1.00 0.00 C ATOM 1093 SG CYS A 69 -10.683 -7.425 3.085 1.00 0.00 S ATOM 0 H CYS A 69 -11.822 -5.180 0.506 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.427 -4.986 3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.706 -5.443 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.070 -5.244 3.863 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.005 -8.033 2.157 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.375 -2.710 3.406 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.207 -1.302 3.305 1.00 0.00 C ATOM 1101 C GLU A 70 -9.730 -0.984 3.444 1.00 0.00 C ATOM 1102 O GLU A 70 -8.990 -1.640 4.182 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.029 -0.594 4.366 1.00 0.00 C ATOM 1104 CG GLU A 70 -11.280 -0.462 5.645 1.00 0.00 C ATOM 1105 CD GLU A 70 -12.166 -0.294 6.859 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -12.568 0.849 7.151 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -12.456 -1.306 7.531 1.00 0.00 O ATOM 0 H GLU A 70 -11.430 -3.073 4.358 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.560 -0.949 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.313 0.395 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.952 -1.147 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.656 -1.345 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.609 0.394 5.575 1.00 0.00 H new ATOM 1114 N LEU A 71 -9.323 -0.002 2.705 1.00 0.00 N ATOM 1115 CA LEU A 71 -7.948 0.381 2.597 1.00 0.00 C ATOM 1116 C LEU A 71 -7.726 1.662 3.361 1.00 0.00 C ATOM 1117 O LEU A 71 -8.444 2.635 3.144 1.00 0.00 O ATOM 1118 CB LEU A 71 -7.614 0.613 1.123 1.00 0.00 C ATOM 1119 CG LEU A 71 -8.210 -0.395 0.145 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -7.898 -0.002 -1.285 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.650 -1.753 0.444 1.00 0.00 C ATOM 0 H LEU A 71 -9.953 0.572 2.144 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.312 -0.404 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.957 1.609 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.530 0.605 1.009 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.294 -0.411 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.332 -0.734 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.320 0.982 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.818 0.029 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.070 -2.481 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.566 -1.732 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.906 -2.036 1.465 1.00 0.00 H new ATOM 1133 N GLU A 72 -6.759 1.679 4.250 1.00 0.00 N ATOM 1134 CA GLU A 72 -6.371 2.927 4.857 1.00 0.00 C ATOM 1135 C GLU A 72 -5.327 3.539 3.964 1.00 0.00 C ATOM 1136 O GLU A 72 -4.381 2.873 3.552 1.00 0.00 O ATOM 1137 CB GLU A 72 -5.834 2.745 6.277 1.00 0.00 C ATOM 1138 CG GLU A 72 -5.898 4.023 7.099 1.00 0.00 C ATOM 1139 CD GLU A 72 -5.486 3.834 8.546 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -5.466 2.679 9.024 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -5.203 4.852 9.218 1.00 0.00 O ATOM 0 H GLU A 72 -6.237 0.860 4.563 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.242 3.576 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.406 1.966 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.801 2.401 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.253 4.773 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.915 4.415 7.067 1.00 0.00 H new ATOM 1148 N THR A 73 -5.532 4.779 3.615 1.00 0.00 N ATOM 1149 CA THR A 73 -4.686 5.419 2.645 1.00 0.00 C ATOM 1150 C THR A 73 -3.487 6.063 3.318 1.00 0.00 C ATOM 1151 O THR A 73 -3.387 6.078 4.544 1.00 0.00 O ATOM 1152 CB THR A 73 -5.472 6.465 1.844 1.00 0.00 C ATOM 1153 OG1 THR A 73 -6.316 7.211 2.726 1.00 0.00 O ATOM 1154 CG2 THR A 73 -6.308 5.796 0.770 1.00 0.00 C ATOM 0 H THR A 73 -6.278 5.367 3.988 1.00 0.00 H new ATOM 0 HA THR A 73 -4.326 4.655 1.956 1.00 0.00 H new ATOM 0 HB THR A 73 -4.766 7.140 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.068 8.159 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.858 6.554 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.656 5.248 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.012 5.105 1.234 1.00 0.00 H new ATOM 1162 N MET A 74 -2.581 6.594 2.514 1.00 0.00 N ATOM 1163 CA MET A 74 -1.393 7.253 3.034 1.00 0.00 C ATOM 1164 C MET A 74 -1.784 8.571 3.703 1.00 0.00 C ATOM 1165 O MET A 74 -0.994 9.183 4.416 1.00 0.00 O ATOM 1166 CB MET A 74 -0.403 7.478 1.888 1.00 0.00 C ATOM 1167 CG MET A 74 1.024 7.764 2.326 1.00 0.00 C ATOM 1168 SD MET A 74 2.176 7.711 0.937 1.00 0.00 S ATOM 1169 CE MET A 74 3.740 7.993 1.763 1.00 0.00 C ATOM 0 H MET A 74 -2.645 6.582 1.496 1.00 0.00 H new ATOM 0 HA MET A 74 -0.914 6.627 3.787 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.402 6.595 1.249 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.756 8.311 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.069 8.745 2.798 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.327 7.034 3.077 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.554 7.628 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.870 9.060 1.941 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.750 7.462 2.715 1.00 0.00 H new ATOM 1179 N THR A 75 -3.020 8.996 3.456 1.00 0.00 N ATOM 1180 CA THR A 75 -3.597 10.138 4.144 1.00 0.00 C ATOM 1181 C THR A 75 -4.330 9.679 5.406 1.00 0.00 C ATOM 1182 O THR A 75 -4.278 10.342 6.445 1.00 0.00 O ATOM 1183 CB THR A 75 -4.566 10.904 3.223 1.00 0.00 C ATOM 1184 OG1 THR A 75 -5.383 9.972 2.504 1.00 0.00 O ATOM 1185 CG2 THR A 75 -3.808 11.785 2.240 1.00 0.00 C ATOM 0 H THR A 75 -3.643 8.559 2.777 1.00 0.00 H new ATOM 0 HA THR A 75 -2.786 10.810 4.425 1.00 0.00 H new ATOM 0 HB THR A 75 -5.193 11.545 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.000 10.460 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.517 12.313 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.205 12.508 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.158 11.165 1.623 1.00 0.00 H new ATOM 1193 N GLY A 76 -5.012 8.535 5.311 1.00 0.00 N ATOM 1194 CA GLY A 76 -5.639 7.954 6.480 1.00 0.00 C ATOM 1195 C GLY A 76 -7.065 7.476 6.249 1.00 0.00 C ATOM 1196 O GLY A 76 -7.609 6.742 7.071 1.00 0.00 O ATOM 0 H GLY A 76 -5.138 8.007 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.036 7.112 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.640 8.692 7.282 1.00 0.00 H new ATOM 1200 N GLU A 77 -7.676 7.878 5.142 1.00 0.00 N ATOM 1201 CA GLU A 77 -9.079 7.562 4.894 1.00 0.00 C ATOM 1202 C GLU A 77 -9.248 6.134 4.363 1.00 0.00 C ATOM 1203 O GLU A 77 -8.383 5.624 3.649 1.00 0.00 O ATOM 1204 CB GLU A 77 -9.676 8.570 3.923 1.00 0.00 C ATOM 1205 CG GLU A 77 -11.189 8.550 3.898 1.00 0.00 C ATOM 1206 CD GLU A 77 -11.779 9.704 3.118 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -11.456 10.869 3.440 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -12.596 9.456 2.206 1.00 0.00 O ATOM 0 H GLU A 77 -7.226 8.421 4.405 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.613 7.623 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.337 9.570 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.300 8.366 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.528 7.611 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.565 8.579 4.921 1.00 0.00 H new ATOM 1215 N LYS A 78 -10.367 5.501 4.724 1.00 0.00 N ATOM 1216 CA LYS A 78 -10.628 4.106 4.400 1.00 0.00 C ATOM 1217 C LYS A 78 -11.483 3.972 3.132 1.00 0.00 C ATOM 1218 O LYS A 78 -12.461 4.703 2.960 1.00 0.00 O ATOM 1219 CB LYS A 78 -11.365 3.463 5.569 1.00 0.00 C ATOM 1220 CG LYS A 78 -10.899 3.932 6.932 1.00 0.00 C ATOM 1221 CD LYS A 78 -9.510 3.423 7.269 1.00 0.00 C ATOM 1222 CE LYS A 78 -9.528 1.952 7.655 1.00 0.00 C ATOM 1223 NZ LYS A 78 -10.446 1.685 8.798 1.00 0.00 N ATOM 0 H LYS A 78 -11.117 5.948 5.251 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.675 3.609 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.430 3.671 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.245 2.381 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.902 5.022 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.603 3.592 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.852 3.566 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.097 4.009 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.836 1.356 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.519 1.634 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.128 0.836 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.440 2.499 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.411 1.534 8.440 1.00 0.00 H new ATOM 1237 N VAL A 79 -11.112 3.036 2.252 1.00 0.00 N ATOM 1238 CA VAL A 79 -11.857 2.807 1.002 1.00 0.00 C ATOM 1239 C VAL A 79 -12.006 1.312 0.723 1.00 0.00 C ATOM 1240 O VAL A 79 -11.100 0.544 0.990 1.00 0.00 O ATOM 1241 CB VAL A 79 -11.202 3.531 -0.209 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -9.836 4.100 0.150 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -11.088 2.615 -1.412 1.00 0.00 C ATOM 0 H VAL A 79 -10.305 2.426 2.378 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.850 3.235 1.137 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.859 4.360 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.409 4.598 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.943 4.818 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.176 3.291 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.626 3.155 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.475 1.751 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.081 2.279 -1.709 1.00 0.00 H new ATOM 1253 N LYS A 80 -13.142 0.904 0.179 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.384 -0.518 -0.078 1.00 0.00 C ATOM 1255 C LYS A 80 -12.801 -0.956 -1.407 1.00 0.00 C ATOM 1256 O LYS A 80 -13.085 -0.365 -2.444 1.00 0.00 O ATOM 1257 CB LYS A 80 -14.872 -0.852 -0.079 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.582 -0.441 1.185 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.994 -0.976 1.222 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.904 -0.124 0.381 1.00 0.00 C ATOM 1261 NZ LYS A 80 -19.174 -0.816 0.054 1.00 0.00 N ATOM 0 H LYS A 80 -13.906 1.524 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.891 -1.053 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.346 -0.360 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.995 -1.925 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.030 -0.807 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.601 0.646 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.009 -2.003 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.354 -0.997 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.123 0.803 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.393 0.149 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.770 -0.192 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.968 -1.688 -0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.676 -1.054 0.933 1.00 0.00 H new ATOM 1275 N ALA A 81 -11.995 -1.997 -1.359 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.491 -2.632 -2.558 1.00 0.00 C ATOM 1277 C ALA A 81 -11.341 -4.124 -2.304 1.00 0.00 C ATOM 1278 O ALA A 81 -11.045 -4.541 -1.184 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.170 -2.009 -2.978 1.00 0.00 C ATOM 0 H ALA A 81 -11.672 -2.425 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.196 -2.481 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.807 -2.500 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.315 -0.947 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.439 -2.133 -2.179 1.00 0.00 H new ATOM 1285 N VAL A 82 -11.556 -4.930 -3.329 1.00 0.00 N ATOM 1286 CA VAL A 82 -11.454 -6.371 -3.174 1.00 0.00 C ATOM 1287 C VAL A 82 -10.060 -6.833 -3.545 1.00 0.00 C ATOM 1288 O VAL A 82 -9.654 -6.756 -4.705 1.00 0.00 O ATOM 1289 CB VAL A 82 -12.499 -7.108 -4.027 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -12.213 -8.606 -4.063 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -13.880 -6.843 -3.474 1.00 0.00 C ATOM 0 H VAL A 82 -11.800 -4.616 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.650 -6.610 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.446 -6.735 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.966 -9.106 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.226 -8.778 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.242 -9.006 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.621 -7.366 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.935 -7.200 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.082 -5.772 -3.498 1.00 0.00 H new ATOM 1301 N VAL A 83 -9.336 -7.313 -2.549 1.00 0.00 N ATOM 1302 CA VAL A 83 -7.952 -7.716 -2.746 1.00 0.00 C ATOM 1303 C VAL A 83 -7.838 -9.234 -2.792 1.00 0.00 C ATOM 1304 O VAL A 83 -8.426 -9.937 -1.976 1.00 0.00 O ATOM 1305 CB VAL A 83 -7.000 -7.122 -1.653 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -7.773 -6.306 -0.626 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -6.174 -8.200 -0.968 1.00 0.00 C ATOM 0 H VAL A 83 -9.681 -7.434 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.631 -7.309 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.309 -6.455 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.082 -5.909 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.283 -5.482 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.508 -6.943 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.529 -7.742 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.839 -8.917 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.562 -8.715 -1.708 1.00 0.00 H new ATOM 1317 N LYS A 84 -7.109 -9.723 -3.774 1.00 0.00 N ATOM 1318 CA LYS A 84 -6.861 -11.132 -3.938 1.00 0.00 C ATOM 1319 C LYS A 84 -5.443 -11.464 -3.514 1.00 0.00 C ATOM 1320 O LYS A 84 -4.568 -10.615 -3.603 1.00 0.00 O ATOM 1321 CB LYS A 84 -7.013 -11.480 -5.401 1.00 0.00 C ATOM 1322 CG LYS A 84 -8.417 -11.295 -5.950 1.00 0.00 C ATOM 1323 CD LYS A 84 -9.356 -12.408 -5.549 1.00 0.00 C ATOM 1324 CE LYS A 84 -10.763 -12.070 -5.994 1.00 0.00 C ATOM 1325 NZ LYS A 84 -11.754 -13.109 -5.611 1.00 0.00 N ATOM 0 H LYS A 84 -6.669 -9.142 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.566 -11.695 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.326 -10.864 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.713 -12.518 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.817 -10.344 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.372 -11.239 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.037 -13.347 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.329 -12.548 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.057 -11.115 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.776 -11.944 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.588 -13.038 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.326 -14.051 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.042 -12.966 -4.622 1.00 0.00 H new ATOM 1339 N MET A 85 -5.209 -12.682 -3.058 1.00 0.00 N ATOM 1340 CA MET A 85 -3.847 -13.112 -2.787 1.00 0.00 C ATOM 1341 C MET A 85 -3.536 -14.428 -3.456 1.00 0.00 C ATOM 1342 O MET A 85 -4.310 -15.386 -3.419 1.00 0.00 O ATOM 1343 CB MET A 85 -3.553 -13.185 -1.282 1.00 0.00 C ATOM 1344 CG MET A 85 -2.393 -14.111 -0.885 1.00 0.00 C ATOM 1345 SD MET A 85 -0.769 -13.355 -1.024 1.00 0.00 S ATOM 1346 CE MET A 85 -0.701 -12.447 0.519 1.00 0.00 C ATOM 0 H MET A 85 -5.929 -13.380 -2.870 1.00 0.00 H new ATOM 0 HA MET A 85 -3.191 -12.353 -3.213 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.334 -12.180 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.455 -13.518 -0.768 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.541 -14.441 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.422 -15.002 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.071 -11.566 0.395 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.707 -12.137 0.803 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.284 -13.085 1.298 1.00 0.00 H new ATOM 1356 N GLU A 86 -2.374 -14.433 -4.059 1.00 0.00 N ATOM 1357 CA GLU A 86 -1.874 -15.544 -4.824 1.00 0.00 C ATOM 1358 C GLU A 86 -1.241 -16.607 -3.916 1.00 0.00 C ATOM 1359 O GLU A 86 -1.363 -17.801 -4.169 1.00 0.00 O ATOM 1360 CB GLU A 86 -0.888 -14.964 -5.814 1.00 0.00 C ATOM 1361 CG GLU A 86 -0.163 -15.963 -6.678 1.00 0.00 C ATOM 1362 CD GLU A 86 -1.081 -17.004 -7.290 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -2.030 -16.614 -8.006 1.00 0.00 O ATOM 1364 OE2 GLU A 86 -0.861 -18.209 -7.058 1.00 0.00 O ATOM 0 H GLU A 86 -1.732 -13.641 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.676 -16.062 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.420 -14.269 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.148 -14.383 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.357 -15.433 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.598 -16.466 -6.080 1.00 0.00 H new ATOM 1371 N GLY A 87 -0.587 -16.164 -2.844 1.00 0.00 N ATOM 1372 CA GLY A 87 0.014 -17.089 -1.890 1.00 0.00 C ATOM 1373 C GLY A 87 1.509 -16.866 -1.739 1.00 0.00 C ATOM 1374 O GLY A 87 2.048 -16.970 -0.640 1.00 0.00 O ATOM 0 H GLY A 87 -0.461 -15.178 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.469 -16.972 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.168 -18.113 -2.216 1.00 0.00 H new ATOM 1378 N ASP A 88 2.177 -16.525 -2.848 1.00 0.00 N ATOM 1379 CA ASP A 88 3.588 -16.091 -2.823 1.00 0.00 C ATOM 1380 C ASP A 88 3.649 -14.643 -2.377 1.00 0.00 C ATOM 1381 O ASP A 88 4.558 -13.886 -2.698 1.00 0.00 O ATOM 1382 CB ASP A 88 4.229 -16.283 -4.205 1.00 0.00 C ATOM 1383 CG ASP A 88 5.737 -16.102 -4.201 1.00 0.00 C ATOM 1384 OD1 ASP A 88 6.446 -16.969 -3.646 1.00 0.00 O ATOM 1385 OD2 ASP A 88 6.222 -15.109 -4.776 1.00 0.00 O ATOM 0 H ASP A 88 1.764 -16.540 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 88 4.153 -16.699 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.991 -17.281 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.787 -15.573 -4.904 1.00 0.00 H new ATOM 1390 N ASN A 89 2.629 -14.305 -1.621 1.00 0.00 N ATOM 1391 CA ASN A 89 2.544 -13.080 -0.858 1.00 0.00 C ATOM 1392 C ASN A 89 2.333 -11.909 -1.765 1.00 0.00 C ATOM 1393 O ASN A 89 2.883 -10.831 -1.586 1.00 0.00 O ATOM 1394 CB ASN A 89 3.780 -12.900 -0.004 1.00 0.00 C ATOM 1395 CG ASN A 89 3.958 -14.053 0.963 1.00 0.00 C ATOM 1396 OD1 ASN A 89 3.481 -14.009 2.098 1.00 0.00 O ATOM 1397 ND2 ASN A 89 4.630 -15.103 0.506 1.00 0.00 N ATOM 0 H ASN A 89 1.805 -14.898 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 89 1.684 -13.144 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.658 -12.822 -0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.707 -11.965 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.769 -15.919 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.007 -15.094 -0.442 1.00 0.00 H new ATOM 1404 N LYS A 90 1.501 -12.148 -2.735 1.00 0.00 N ATOM 1405 CA LYS A 90 1.133 -11.155 -3.684 1.00 0.00 C ATOM 1406 C LYS A 90 -0.357 -10.919 -3.557 1.00 0.00 C ATOM 1407 O LYS A 90 -1.160 -11.832 -3.751 1.00 0.00 O ATOM 1408 CB LYS A 90 1.516 -11.673 -5.068 1.00 0.00 C ATOM 1409 CG LYS A 90 2.146 -13.062 -4.979 1.00 0.00 C ATOM 1410 CD LYS A 90 2.570 -13.642 -6.302 1.00 0.00 C ATOM 1411 CE LYS A 90 4.037 -13.360 -6.591 1.00 0.00 C ATOM 1412 NZ LYS A 90 4.435 -13.826 -7.945 1.00 0.00 N ATOM 0 H LYS A 90 1.056 -13.053 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 90 1.643 -10.207 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.631 -11.711 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.216 -10.982 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.016 -13.011 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.433 -13.741 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.399 -14.719 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.954 -13.223 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.224 -12.290 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.656 -13.853 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.194 -14.532 -7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.615 -14.254 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.776 -13.018 -8.504 1.00 0.00 H new ATOM 1426 N MET A 91 -0.708 -9.698 -3.222 1.00 0.00 N ATOM 1427 CA MET A 91 -2.098 -9.311 -3.097 1.00 0.00 C ATOM 1428 C MET A 91 -2.416 -8.257 -4.121 1.00 0.00 C ATOM 1429 O MET A 91 -1.793 -7.197 -4.177 1.00 0.00 O ATOM 1430 CB MET A 91 -2.436 -8.764 -1.720 1.00 0.00 C ATOM 1431 CG MET A 91 -1.933 -9.613 -0.570 1.00 0.00 C ATOM 1432 SD MET A 91 -2.424 -8.978 1.043 1.00 0.00 S ATOM 1433 CE MET A 91 -1.597 -7.389 1.052 1.00 0.00 C ATOM 0 H MET A 91 -0.044 -8.948 -3.029 1.00 0.00 H new ATOM 0 HA MET A 91 -2.694 -10.210 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.017 -7.762 -1.627 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.518 -8.665 -1.637 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.310 -10.629 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.845 -9.670 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.170 -7.207 2.038 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.802 -7.388 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.315 -6.604 0.817 1.00 0.00 H new ATOM 1443 N VAL A 92 -3.394 -8.566 -4.921 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.779 -7.725 -6.023 1.00 0.00 C ATOM 1445 C VAL A 92 -5.253 -7.380 -5.880 1.00 0.00 C ATOM 1446 O VAL A 92 -6.106 -8.265 -5.869 1.00 0.00 O ATOM 1447 CB VAL A 92 -3.537 -8.428 -7.378 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -3.157 -7.417 -8.441 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -2.475 -9.522 -7.257 1.00 0.00 C ATOM 0 H VAL A 92 -3.953 -9.414 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.172 -6.820 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.468 -8.908 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.990 -7.930 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.962 -6.692 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.244 -6.901 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.329 -9.996 -8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.535 -9.082 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.803 -10.269 -6.534 1.00 0.00 H new ATOM 1459 N THR A 93 -5.549 -6.102 -5.748 1.00 0.00 N ATOM 1460 CA THR A 93 -6.918 -5.669 -5.543 1.00 0.00 C ATOM 1461 C THR A 93 -7.380 -4.750 -6.659 1.00 0.00 C ATOM 1462 O THR A 93 -6.605 -3.955 -7.202 1.00 0.00 O ATOM 1463 CB THR A 93 -7.126 -5.000 -4.160 1.00 0.00 C ATOM 1464 OG1 THR A 93 -8.207 -4.067 -4.211 1.00 0.00 O ATOM 1465 CG2 THR A 93 -5.867 -4.304 -3.668 1.00 0.00 C ATOM 0 H THR A 93 -4.863 -5.347 -5.779 1.00 0.00 H new ATOM 0 HA THR A 93 -7.533 -6.568 -5.562 1.00 0.00 H new ATOM 0 HB THR A 93 -7.367 -5.794 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.872 -3.194 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.059 -3.849 -2.696 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.061 -5.032 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.577 -3.531 -4.379 1.00 0.00 H new ATOM 1473 N THR A 94 -8.645 -4.894 -7.008 1.00 0.00 N ATOM 1474 CA THR A 94 -9.231 -4.146 -8.107 1.00 0.00 C ATOM 1475 C THR A 94 -10.346 -3.228 -7.610 1.00 0.00 C ATOM 1476 O THR A 94 -11.265 -3.666 -6.914 1.00 0.00 O ATOM 1477 CB THR A 94 -9.776 -5.105 -9.181 1.00 0.00 C ATOM 1478 OG1 THR A 94 -8.754 -6.047 -9.536 1.00 0.00 O ATOM 1479 CG2 THR A 94 -10.225 -4.344 -10.421 1.00 0.00 C ATOM 0 H THR A 94 -9.293 -5.529 -6.541 1.00 0.00 H new ATOM 0 HA THR A 94 -8.449 -3.529 -8.549 1.00 0.00 H new ATOM 0 HB THR A 94 -10.641 -5.628 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.098 -6.661 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.605 -5.047 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.013 -3.641 -10.151 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.379 -3.798 -10.839 1.00 0.00 H new ATOM 1487 N PHE A 95 -10.232 -1.956 -7.953 1.00 0.00 N ATOM 1488 CA PHE A 95 -11.197 -0.942 -7.558 1.00 0.00 C ATOM 1489 C PHE A 95 -11.443 0.005 -8.732 1.00 0.00 C ATOM 1490 O PHE A 95 -10.690 -0.023 -9.695 1.00 0.00 O ATOM 1491 CB PHE A 95 -10.700 -0.176 -6.322 1.00 0.00 C ATOM 1492 CG PHE A 95 -11.689 0.821 -5.780 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -12.968 0.425 -5.419 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -11.341 2.154 -5.635 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -13.878 1.340 -4.925 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -12.248 3.074 -5.141 1.00 0.00 C ATOM 1497 CZ PHE A 95 -13.518 2.666 -4.787 1.00 0.00 C ATOM 0 H PHE A 95 -9.463 -1.595 -8.517 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.138 -1.422 -7.290 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.455 -0.892 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.777 0.345 -6.577 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -13.256 -0.610 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.349 2.479 -5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.871 1.018 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.963 4.110 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 95 -14.229 3.382 -4.403 1.00 0.00 H new ATOM 1507 N LYS A 96 -12.557 0.736 -8.677 1.00 0.00 N ATOM 1508 CA LYS A 96 -12.909 1.807 -9.634 1.00 0.00 C ATOM 1509 C LYS A 96 -11.696 2.489 -10.282 1.00 0.00 C ATOM 1510 O LYS A 96 -11.191 3.485 -9.759 1.00 0.00 O ATOM 1511 CB LYS A 96 -13.680 2.880 -8.879 1.00 0.00 C ATOM 1512 CG LYS A 96 -14.257 3.966 -9.754 1.00 0.00 C ATOM 1513 CD LYS A 96 -15.050 4.915 -8.905 1.00 0.00 C ATOM 1514 CE LYS A 96 -16.367 4.287 -8.528 1.00 0.00 C ATOM 1515 NZ LYS A 96 -17.307 4.215 -9.677 1.00 0.00 N ATOM 0 H LYS A 96 -13.262 0.603 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.485 1.337 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.491 2.406 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.018 3.337 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.457 4.500 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.893 3.529 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.488 5.169 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.222 5.845 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.191 3.283 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.824 4.862 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.275 4.070 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.264 5.103 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.041 3.422 -10.294 1.00 0.00 H new ATOM 1529 N GLY A 97 -11.250 1.973 -11.424 1.00 0.00 N ATOM 1530 CA GLY A 97 -10.115 2.559 -12.120 1.00 0.00 C ATOM 1531 C GLY A 97 -8.839 2.508 -11.300 1.00 0.00 C ATOM 1532 O GLY A 97 -7.821 3.096 -11.672 1.00 0.00 O ATOM 0 H GLY A 97 -11.655 1.157 -11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.959 2.032 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.342 3.596 -12.369 1.00 0.00 H new ATOM 1536 N ILE A 98 -8.907 1.800 -10.185 1.00 0.00 N ATOM 1537 CA ILE A 98 -7.792 1.648 -9.283 1.00 0.00 C ATOM 1538 C ILE A 98 -7.288 0.231 -9.344 1.00 0.00 C ATOM 1539 O ILE A 98 -7.968 -0.704 -8.919 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.185 1.955 -7.825 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -8.918 3.287 -7.744 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -6.945 1.982 -6.958 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -8.067 4.468 -8.124 1.00 0.00 C ATOM 0 H ILE A 98 -9.750 1.312 -9.883 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.023 2.355 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.853 1.173 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.790 3.253 -8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.287 3.428 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.226 2.199 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.449 1.012 -7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.265 2.754 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -8.656 5.382 -8.043 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.209 4.528 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.719 4.351 -9.150 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.101 0.064 -9.859 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.536 -1.254 -9.952 1.00 0.00 C ATOM 1557 C LYS A 99 -4.317 -1.332 -9.061 1.00 0.00 C ATOM 1558 O LYS A 99 -3.336 -0.621 -9.272 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.200 -1.581 -11.397 1.00 0.00 C ATOM 1560 CG LYS A 99 -5.222 -3.069 -11.687 1.00 0.00 C ATOM 1561 CD LYS A 99 -5.116 -3.359 -13.178 1.00 0.00 C ATOM 1562 CE LYS A 99 -3.776 -2.931 -13.760 1.00 0.00 C ATOM 1563 NZ LYS A 99 -2.643 -3.711 -13.193 1.00 0.00 N ATOM 0 H LYS A 99 -5.511 0.815 -10.217 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.259 -1.996 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.911 -1.078 -12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.213 -1.185 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.397 -3.553 -11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.144 -3.501 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.259 -4.426 -13.349 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.919 -2.842 -13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.795 -3.056 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.619 -1.870 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.778 -3.509 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.501 -3.443 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.858 -4.727 -13.251 1.00 0.00 H new ATOM 1577 N SER A 100 -4.387 -2.187 -8.058 1.00 0.00 N ATOM 1578 CA SER A 100 -3.347 -2.250 -7.051 1.00 0.00 C ATOM 1579 C SER A 100 -2.683 -3.617 -7.051 1.00 0.00 C ATOM 1580 O SER A 100 -3.340 -4.632 -6.821 1.00 0.00 O ATOM 1581 CB SER A 100 -3.953 -1.965 -5.677 1.00 0.00 C ATOM 1582 OG SER A 100 -4.816 -0.841 -5.731 1.00 0.00 O ATOM 0 H SER A 100 -5.153 -2.846 -7.920 1.00 0.00 H new ATOM 0 HA SER A 100 -2.589 -1.501 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.506 -2.838 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.158 -1.784 -4.954 1.00 0.00 H new ATOM 0 HG SER A 100 -5.315 -0.771 -4.891 1.00 0.00 H new ATOM 1588 N VAL A 101 -1.387 -3.640 -7.302 1.00 0.00 N ATOM 1589 CA VAL A 101 -0.630 -4.873 -7.270 1.00 0.00 C ATOM 1590 C VAL A 101 0.400 -4.812 -6.152 1.00 0.00 C ATOM 1591 O VAL A 101 1.283 -3.960 -6.167 1.00 0.00 O ATOM 1592 CB VAL A 101 0.104 -5.100 -8.606 1.00 0.00 C ATOM 1593 CG1 VAL A 101 0.993 -6.325 -8.523 1.00 0.00 C ATOM 1594 CG2 VAL A 101 -0.889 -5.224 -9.748 1.00 0.00 C ATOM 0 H VAL A 101 -0.836 -2.813 -7.531 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.325 -5.695 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 101 0.737 -4.235 -8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.503 -6.470 -9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.731 -6.186 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.385 -7.202 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.351 -5.384 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.553 -6.068 -9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.477 -4.309 -9.820 1.00 0.00 H new ATOM 1604 N THR A 102 0.280 -5.696 -5.182 1.00 0.00 N ATOM 1605 CA THR A 102 1.273 -5.810 -4.135 1.00 0.00 C ATOM 1606 C THR A 102 1.896 -7.200 -4.152 1.00 0.00 C ATOM 1607 O THR A 102 1.194 -8.185 -4.014 1.00 0.00 O ATOM 1608 CB THR A 102 0.656 -5.526 -2.754 1.00 0.00 C ATOM 1609 OG1 THR A 102 -0.132 -4.328 -2.814 1.00 0.00 O ATOM 1610 CG2 THR A 102 1.735 -5.367 -1.695 1.00 0.00 C ATOM 0 H THR A 102 -0.500 -6.348 -5.098 1.00 0.00 H new ATOM 0 HA THR A 102 2.049 -5.067 -4.321 1.00 0.00 H new ATOM 0 HB THR A 102 0.026 -6.373 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.525 -4.150 -1.934 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.270 -5.167 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.322 -6.284 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.388 -4.536 -1.963 1.00 0.00 H new ATOM 1618 N GLU A 103 3.195 -7.291 -4.326 1.00 0.00 N ATOM 1619 CA GLU A 103 3.863 -8.588 -4.320 1.00 0.00 C ATOM 1620 C GLU A 103 5.046 -8.561 -3.373 1.00 0.00 C ATOM 1621 O GLU A 103 5.927 -7.703 -3.495 1.00 0.00 O ATOM 1622 CB GLU A 103 4.309 -8.936 -5.748 1.00 0.00 C ATOM 1623 CG GLU A 103 4.950 -10.281 -5.916 1.00 0.00 C ATOM 1624 CD GLU A 103 5.708 -10.408 -7.224 1.00 0.00 C ATOM 1625 OE1 GLU A 103 6.904 -10.060 -7.265 1.00 0.00 O ATOM 1626 OE2 GLU A 103 5.108 -10.861 -8.220 1.00 0.00 O ATOM 0 H GLU A 103 3.813 -6.493 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 103 3.172 -9.355 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.440 -8.883 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.011 -8.174 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.633 -10.460 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.182 -11.053 -5.869 1.00 0.00 H new ATOM 1633 N PHE A 104 5.055 -9.465 -2.406 1.00 0.00 N ATOM 1634 CA PHE A 104 6.213 -9.620 -1.572 1.00 0.00 C ATOM 1635 C PHE A 104 7.093 -10.643 -2.252 1.00 0.00 C ATOM 1636 O PHE A 104 6.718 -11.814 -2.367 1.00 0.00 O ATOM 1637 CB PHE A 104 5.832 -10.114 -0.167 1.00 0.00 C ATOM 1638 CG PHE A 104 4.632 -9.453 0.443 1.00 0.00 C ATOM 1639 CD1 PHE A 104 4.296 -8.184 0.095 1.00 0.00 C ATOM 1640 CD2 PHE A 104 3.846 -10.120 1.357 1.00 0.00 C ATOM 1641 CE1 PHE A 104 3.192 -7.563 0.642 1.00 0.00 C ATOM 1642 CE2 PHE A 104 2.738 -9.520 1.916 1.00 0.00 C ATOM 1643 CZ PHE A 104 2.409 -8.233 1.556 1.00 0.00 C ATOM 0 H PHE A 104 4.279 -10.090 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 104 6.720 -8.663 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.650 -11.188 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.684 -9.965 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.903 -7.652 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.102 -11.130 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.942 -6.553 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.132 -10.056 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.543 -7.752 1.987 1.00 0.00 H new ATOM 1653 N ASN A 105 8.249 -10.206 -2.702 1.00 0.00 N ATOM 1654 CA ASN A 105 9.127 -11.068 -3.457 1.00 0.00 C ATOM 1655 C ASN A 105 10.488 -11.093 -2.808 1.00 0.00 C ATOM 1656 O ASN A 105 11.200 -10.085 -2.794 1.00 0.00 O ATOM 1657 CB ASN A 105 9.231 -10.589 -4.902 1.00 0.00 C ATOM 1658 CG ASN A 105 9.707 -11.684 -5.828 1.00 0.00 C ATOM 1659 OD1 ASN A 105 10.905 -11.843 -6.069 1.00 0.00 O ATOM 1660 ND2 ASN A 105 8.766 -12.449 -6.354 1.00 0.00 N ATOM 0 H ASN A 105 8.601 -9.260 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 105 8.718 -12.078 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.258 -10.230 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.918 -9.745 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.020 -13.207 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.786 -12.281 -6.126 1.00 0.00 H new ATOM 1667 N GLY A 106 10.844 -12.237 -2.260 1.00 0.00 N ATOM 1668 CA GLY A 106 12.056 -12.323 -1.490 1.00 0.00 C ATOM 1669 C GLY A 106 11.931 -11.569 -0.189 1.00 0.00 C ATOM 1670 O GLY A 106 11.402 -12.083 0.787 1.00 0.00 O ATOM 0 H GLY A 106 10.316 -13.106 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.287 -13.369 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.887 -11.920 -2.069 1.00 0.00 H new ATOM 1674 N ASP A 107 12.396 -10.338 -0.187 1.00 0.00 N ATOM 1675 CA ASP A 107 12.337 -9.495 0.995 1.00 0.00 C ATOM 1676 C ASP A 107 12.116 -8.040 0.604 1.00 0.00 C ATOM 1677 O ASP A 107 12.339 -7.130 1.401 1.00 0.00 O ATOM 1678 CB ASP A 107 13.607 -9.643 1.843 1.00 0.00 C ATOM 1679 CG ASP A 107 14.878 -9.352 1.074 1.00 0.00 C ATOM 1680 OD1 ASP A 107 15.333 -10.242 0.321 1.00 0.00 O ATOM 1681 OD2 ASP A 107 15.441 -8.253 1.237 1.00 0.00 O ATOM 0 H ASP A 107 12.824 -9.892 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 107 11.491 -9.821 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.545 -8.969 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.655 -10.657 2.239 1.00 0.00 H new ATOM 1686 N THR A 108 11.673 -7.818 -0.625 1.00 0.00 N ATOM 1687 CA THR A 108 11.280 -6.483 -1.041 1.00 0.00 C ATOM 1688 C THR A 108 9.890 -6.506 -1.648 1.00 0.00 C ATOM 1689 O THR A 108 9.539 -7.385 -2.440 1.00 0.00 O ATOM 1690 CB THR A 108 12.286 -5.842 -2.026 1.00 0.00 C ATOM 1691 OG1 THR A 108 13.628 -6.087 -1.583 1.00 0.00 O ATOM 1692 CG2 THR A 108 12.064 -4.340 -2.130 1.00 0.00 C ATOM 0 H THR A 108 11.578 -8.536 -1.343 1.00 0.00 H new ATOM 0 HA THR A 108 11.275 -5.862 -0.145 1.00 0.00 H new ATOM 0 HB THR A 108 12.130 -6.291 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.260 -5.680 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.784 -3.913 -2.829 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.053 -4.146 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.196 -3.884 -1.149 1.00 0.00 H new ATOM 1700 N ILE A 109 9.105 -5.535 -1.236 1.00 0.00 N ATOM 1701 CA ILE A 109 7.722 -5.422 -1.616 1.00 0.00 C ATOM 1702 C ILE A 109 7.548 -4.363 -2.684 1.00 0.00 C ATOM 1703 O ILE A 109 8.067 -3.251 -2.556 1.00 0.00 O ATOM 1704 CB ILE A 109 6.868 -5.027 -0.400 1.00 0.00 C ATOM 1705 CG1 ILE A 109 7.065 -6.037 0.727 1.00 0.00 C ATOM 1706 CG2 ILE A 109 5.406 -4.910 -0.784 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.050 -5.910 1.844 1.00 0.00 C ATOM 0 H ILE A 109 9.420 -4.789 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 109 7.401 -6.390 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 109 7.193 -4.049 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.013 -7.044 0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.066 -5.914 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.821 -4.630 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.292 -4.148 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.052 -5.868 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.254 -6.660 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.117 -4.915 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.048 -6.063 1.444 1.00 0.00 H new ATOM 1719 N THR A 110 6.837 -4.699 -3.737 1.00 0.00 N ATOM 1720 CA THR A 110 6.463 -3.706 -4.710 1.00 0.00 C ATOM 1721 C THR A 110 4.953 -3.538 -4.732 1.00 0.00 C ATOM 1722 O THR A 110 4.211 -4.487 -4.990 1.00 0.00 O ATOM 1723 CB THR A 110 6.960 -4.067 -6.116 1.00 0.00 C ATOM 1724 OG1 THR A 110 8.356 -4.383 -6.062 1.00 0.00 O ATOM 1725 CG2 THR A 110 6.738 -2.904 -7.071 1.00 0.00 C ATOM 0 H THR A 110 6.510 -5.644 -3.938 1.00 0.00 H new ATOM 0 HA THR A 110 6.935 -2.768 -4.416 1.00 0.00 H new ATOM 0 HB THR A 110 6.401 -4.930 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.674 -4.615 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.096 -3.175 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.674 -2.671 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.285 -2.031 -6.715 1.00 0.00 H new ATOM 1733 N ASN A 111 4.511 -2.334 -4.429 1.00 0.00 N ATOM 1734 CA ASN A 111 3.099 -1.982 -4.549 1.00 0.00 C ATOM 1735 C ASN A 111 2.901 -1.051 -5.731 1.00 0.00 C ATOM 1736 O ASN A 111 3.534 -0.009 -5.815 1.00 0.00 O ATOM 1737 CB ASN A 111 2.598 -1.326 -3.257 1.00 0.00 C ATOM 1738 CG ASN A 111 1.207 -0.732 -3.395 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.052 0.446 -3.713 1.00 0.00 O ATOM 1740 ND2 ASN A 111 0.185 -1.540 -3.159 1.00 0.00 N ATOM 0 H ASN A 111 5.107 -1.576 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 111 2.520 -2.891 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.593 -2.067 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.294 -0.542 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.770 -1.191 -3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.353 -2.512 -2.897 1.00 0.00 H new ATOM 1747 N THR A 112 2.053 -1.446 -6.661 1.00 0.00 N ATOM 1748 CA THR A 112 1.767 -0.615 -7.813 1.00 0.00 C ATOM 1749 C THR A 112 0.279 -0.267 -7.859 1.00 0.00 C ATOM 1750 O THR A 112 -0.566 -1.151 -8.005 1.00 0.00 O ATOM 1751 CB THR A 112 2.164 -1.339 -9.111 1.00 0.00 C ATOM 1752 OG1 THR A 112 3.250 -2.240 -8.847 1.00 0.00 O ATOM 1753 CG2 THR A 112 2.592 -0.345 -10.172 1.00 0.00 C ATOM 0 H THR A 112 1.552 -2.334 -6.641 1.00 0.00 H new ATOM 0 HA THR A 112 2.349 0.302 -7.724 1.00 0.00 H new ATOM 0 HB THR A 112 1.298 -1.892 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.501 -2.702 -9.674 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.868 -0.879 -11.081 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.768 0.335 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.448 0.225 -9.812 1.00 0.00 H new ATOM 1761 N MET A 113 -0.038 1.013 -7.725 1.00 0.00 N ATOM 1762 CA MET A 113 -1.405 1.475 -7.778 1.00 0.00 C ATOM 1763 C MET A 113 -1.617 2.349 -8.999 1.00 0.00 C ATOM 1764 O MET A 113 -0.695 3.003 -9.476 1.00 0.00 O ATOM 1765 CB MET A 113 -1.744 2.253 -6.510 1.00 0.00 C ATOM 1766 CG MET A 113 -2.784 1.570 -5.651 1.00 0.00 C ATOM 1767 SD MET A 113 -2.991 2.357 -4.042 1.00 0.00 S ATOM 1768 CE MET A 113 -4.251 1.314 -3.314 1.00 0.00 C ATOM 0 H MET A 113 0.648 1.753 -7.577 1.00 0.00 H new ATOM 0 HA MET A 113 -2.065 0.610 -7.849 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.835 2.395 -5.925 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.104 3.244 -6.785 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.739 1.571 -6.176 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.501 0.527 -5.506 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.488 1.674 -2.313 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.149 1.343 -3.932 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.885 0.289 -3.254 1.00 0.00 H new ATOM 1778 N THR A 114 -2.821 2.342 -9.516 1.00 0.00 N ATOM 1779 CA THR A 114 -3.169 3.188 -10.626 1.00 0.00 C ATOM 1780 C THR A 114 -4.401 3.984 -10.251 1.00 0.00 C ATOM 1781 O THR A 114 -5.417 3.404 -9.883 1.00 0.00 O ATOM 1782 CB THR A 114 -3.454 2.372 -11.902 1.00 0.00 C ATOM 1783 OG1 THR A 114 -2.354 1.495 -12.183 1.00 0.00 O ATOM 1784 CG2 THR A 114 -3.687 3.293 -13.090 1.00 0.00 C ATOM 0 H THR A 114 -3.582 1.752 -9.180 1.00 0.00 H new ATOM 0 HA THR A 114 -2.327 3.847 -10.839 1.00 0.00 H new ATOM 0 HB THR A 114 -4.355 1.781 -11.734 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.545 0.980 -12.994 1.00 0.00 H new ATOM 0 HG21 THR A 114 -3.886 2.696 -13.980 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.541 3.939 -12.888 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.800 3.905 -13.255 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.306 5.295 -10.300 1.00 0.00 N ATOM 1793 CA LEU A 115 -5.436 6.126 -9.956 1.00 0.00 C ATOM 1794 C LEU A 115 -5.861 6.922 -11.171 1.00 0.00 C ATOM 1795 O LEU A 115 -5.158 7.833 -11.583 1.00 0.00 O ATOM 1796 CB LEU A 115 -5.058 7.064 -8.813 1.00 0.00 C ATOM 1797 CG LEU A 115 -6.151 7.262 -7.779 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -5.670 8.125 -6.643 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -7.331 7.910 -8.442 1.00 0.00 C ATOM 0 H LEU A 115 -3.465 5.804 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.267 5.499 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.171 6.672 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.788 8.034 -9.229 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.432 6.292 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.473 8.251 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.816 7.649 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.373 9.101 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.124 8.058 -7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.033 8.874 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.694 7.269 -9.245 1.00 0.00 H new ATOM 1811 N GLY A 116 -7.028 6.604 -11.714 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.477 7.266 -12.921 1.00 0.00 C ATOM 1813 C GLY A 116 -6.529 7.026 -14.076 1.00 0.00 C ATOM 1814 O GLY A 116 -6.661 6.047 -14.814 1.00 0.00 O ATOM 0 H GLY A 116 -7.669 5.903 -11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.471 6.906 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.564 8.337 -12.738 1.00 0.00 H new ATOM 1818 N ASP A 117 -5.566 7.921 -14.213 1.00 0.00 N ATOM 1819 CA ASP A 117 -4.530 7.812 -15.228 1.00 0.00 C ATOM 1820 C ASP A 117 -3.143 7.875 -14.587 1.00 0.00 C ATOM 1821 O ASP A 117 -2.127 7.785 -15.278 1.00 0.00 O ATOM 1822 CB ASP A 117 -4.678 8.935 -16.260 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.435 10.313 -15.670 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -5.203 10.727 -14.773 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -3.489 10.998 -16.116 1.00 0.00 O ATOM 0 H ASP A 117 -5.479 8.747 -13.621 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.641 6.851 -15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.977 8.766 -17.077 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.680 8.899 -16.688 1.00 0.00 H new ATOM 1830 N ILE A 118 -3.102 8.009 -13.266 1.00 0.00 N ATOM 1831 CA ILE A 118 -1.840 8.145 -12.547 1.00 0.00 C ATOM 1832 C ILE A 118 -1.257 6.768 -12.197 1.00 0.00 C ATOM 1833 O ILE A 118 -2.000 5.850 -11.847 1.00 0.00 O ATOM 1834 CB ILE A 118 -2.004 8.997 -11.256 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -2.314 8.145 -10.025 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -3.097 10.023 -11.424 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -1.065 7.701 -9.300 1.00 0.00 C ATOM 0 H ILE A 118 -3.930 8.026 -12.670 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.147 8.663 -13.210 1.00 0.00 H new ATOM 0 HB ILE A 118 -1.046 9.492 -11.097 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.944 8.715 -9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.885 7.268 -10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -3.193 10.606 -10.508 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -2.849 10.687 -12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.040 9.519 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.341 7.099 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.446 7.107 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.505 8.576 -8.970 1.00 0.00 H new ATOM 1849 N VAL A 119 0.062 6.613 -12.312 1.00 0.00 N ATOM 1850 CA VAL A 119 0.707 5.370 -11.933 1.00 0.00 C ATOM 1851 C VAL A 119 1.569 5.544 -10.675 1.00 0.00 C ATOM 1852 O VAL A 119 2.544 6.287 -10.665 1.00 0.00 O ATOM 1853 CB VAL A 119 1.543 4.812 -13.096 1.00 0.00 C ATOM 1854 CG1 VAL A 119 2.462 5.880 -13.641 1.00 0.00 C ATOM 1855 CG2 VAL A 119 2.324 3.575 -12.670 1.00 0.00 C ATOM 0 H VAL A 119 0.695 7.331 -12.663 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.077 4.650 -11.698 1.00 0.00 H new ATOM 0 HB VAL A 119 0.863 4.508 -13.892 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.048 5.471 -14.464 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.869 6.721 -14.001 1.00 0.00 H new ATOM 0 HG13 VAL A 119 3.133 6.220 -12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.905 3.203 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.996 3.833 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.630 2.802 -12.339 1.00 0.00 H new ATOM 1865 N TYR A 120 1.191 4.852 -9.619 1.00 0.00 N ATOM 1866 CA TYR A 120 1.890 4.925 -8.344 1.00 0.00 C ATOM 1867 C TYR A 120 2.615 3.612 -8.114 1.00 0.00 C ATOM 1868 O TYR A 120 1.991 2.564 -8.043 1.00 0.00 O ATOM 1869 CB TYR A 120 0.856 5.195 -7.231 1.00 0.00 C ATOM 1870 CG TYR A 120 1.345 5.131 -5.790 1.00 0.00 C ATOM 1871 CD1 TYR A 120 2.694 5.159 -5.444 1.00 0.00 C ATOM 1872 CD2 TYR A 120 0.415 5.047 -4.761 1.00 0.00 C ATOM 1873 CE1 TYR A 120 3.089 5.105 -4.116 1.00 0.00 C ATOM 1874 CE2 TYR A 120 0.803 4.993 -3.440 1.00 0.00 C ATOM 1875 CZ TYR A 120 2.139 5.024 -3.122 1.00 0.00 C ATOM 1876 OH TYR A 120 2.528 4.983 -1.803 1.00 0.00 O ATOM 0 H TYR A 120 0.390 4.221 -9.617 1.00 0.00 H new ATOM 0 HA TYR A 120 2.623 5.732 -8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.431 6.185 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 120 0.044 4.476 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 120 3.442 5.224 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.637 5.023 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.138 5.126 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.060 4.927 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 120 3.466 5.256 -1.730 1.00 0.00 H new ATOM 1886 N LYS A 121 3.926 3.663 -8.006 1.00 0.00 N ATOM 1887 CA LYS A 121 4.690 2.460 -7.756 1.00 0.00 C ATOM 1888 C LYS A 121 5.566 2.657 -6.534 1.00 0.00 C ATOM 1889 O LYS A 121 6.274 3.651 -6.414 1.00 0.00 O ATOM 1890 CB LYS A 121 5.519 2.085 -8.980 1.00 0.00 C ATOM 1891 CG LYS A 121 5.753 0.602 -9.119 1.00 0.00 C ATOM 1892 CD LYS A 121 6.406 0.265 -10.432 1.00 0.00 C ATOM 1893 CE LYS A 121 7.805 0.846 -10.537 1.00 0.00 C ATOM 1894 NZ LYS A 121 8.326 0.768 -11.924 1.00 0.00 N ATOM 0 H LYS A 121 4.480 4.516 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 121 4.006 1.635 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.016 2.450 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.482 2.593 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.382 0.254 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.803 0.074 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.454 -0.818 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.793 0.645 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.793 1.886 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.474 0.308 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.283 1.174 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.360 -0.226 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.700 1.302 -12.560 1.00 0.00 H new ATOM 1908 N ARG A 122 5.486 1.719 -5.623 1.00 0.00 N ATOM 1909 CA ARG A 122 6.129 1.839 -4.331 1.00 0.00 C ATOM 1910 C ARG A 122 7.133 0.715 -4.107 1.00 0.00 C ATOM 1911 O ARG A 122 6.803 -0.464 -4.242 1.00 0.00 O ATOM 1912 CB ARG A 122 5.044 1.808 -3.251 1.00 0.00 C ATOM 1913 CG ARG A 122 5.563 1.778 -1.826 1.00 0.00 C ATOM 1914 CD ARG A 122 4.447 1.417 -0.858 1.00 0.00 C ATOM 1915 NE ARG A 122 3.430 2.457 -0.738 1.00 0.00 N ATOM 1916 CZ ARG A 122 2.282 2.304 -0.071 1.00 0.00 C ATOM 1917 NH1 ARG A 122 2.011 1.161 0.552 1.00 0.00 N ATOM 1918 NH2 ARG A 122 1.412 3.301 -0.022 1.00 0.00 N ATOM 0 H ARG A 122 4.973 0.847 -5.754 1.00 0.00 H new ATOM 0 HA ARG A 122 6.680 2.778 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.406 2.684 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.416 0.932 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.372 1.053 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.979 2.751 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.974 0.492 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.876 1.223 0.125 1.00 0.00 H new ATOM 0 HE ARG A 122 3.606 3.354 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.682 0.393 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.133 1.052 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.619 4.182 -0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.535 3.188 0.486 1.00 0.00 H new ATOM 1932 N VAL A 123 8.356 1.093 -3.763 1.00 0.00 N ATOM 1933 CA VAL A 123 9.360 0.137 -3.336 1.00 0.00 C ATOM 1934 C VAL A 123 9.456 0.172 -1.814 1.00 0.00 C ATOM 1935 O VAL A 123 9.563 1.235 -1.202 1.00 0.00 O ATOM 1936 CB VAL A 123 10.744 0.393 -3.984 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.328 1.714 -3.568 1.00 0.00 C ATOM 1938 CG2 VAL A 123 11.691 -0.754 -3.668 1.00 0.00 C ATOM 0 H VAL A 123 8.675 2.062 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 123 9.051 -0.854 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 123 10.603 0.442 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.298 1.850 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 123 10.658 2.519 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.452 1.732 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 123 12.660 -0.563 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.813 -0.838 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 123 11.280 -1.684 -4.061 1.00 0.00 H new ATOM 1948 N SER A 124 9.285 -0.988 -1.216 1.00 0.00 N ATOM 1949 CA SER A 124 9.338 -1.151 0.224 1.00 0.00 C ATOM 1950 C SER A 124 10.174 -2.393 0.553 1.00 0.00 C ATOM 1951 O SER A 124 9.932 -3.441 -0.017 1.00 0.00 O ATOM 1952 CB SER A 124 7.900 -1.298 0.721 1.00 0.00 C ATOM 1953 OG SER A 124 7.199 -0.077 0.564 1.00 0.00 O ATOM 0 H SER A 124 9.103 -1.855 -1.721 1.00 0.00 H new ATOM 0 HA SER A 124 9.804 -0.295 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.395 -2.089 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.899 -1.594 1.770 1.00 0.00 H new ATOM 0 HG SER A 124 6.429 -0.215 -0.027 1.00 0.00 H new ATOM 1959 N LYS A 125 11.150 -2.302 1.451 1.00 0.00 N ATOM 1960 CA LYS A 125 12.075 -3.422 1.642 1.00 0.00 C ATOM 1961 C LYS A 125 12.209 -3.827 3.107 1.00 0.00 C ATOM 1962 O LYS A 125 12.200 -2.991 4.003 1.00 0.00 O ATOM 1963 CB LYS A 125 13.439 -3.101 1.017 1.00 0.00 C ATOM 1964 CG LYS A 125 13.863 -1.669 1.147 1.00 0.00 C ATOM 1965 CD LYS A 125 14.618 -1.386 2.430 1.00 0.00 C ATOM 1966 CE LYS A 125 15.948 -2.109 2.453 1.00 0.00 C ATOM 1967 NZ LYS A 125 15.873 -3.439 3.119 1.00 0.00 N ATOM 0 H LYS A 125 11.322 -1.490 2.044 1.00 0.00 H new ATOM 0 HA LYS A 125 11.654 -4.285 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.195 -3.734 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.410 -3.363 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.491 -1.404 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 125 12.981 -1.030 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.783 -0.313 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.017 -1.697 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.303 -2.240 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.683 -1.491 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.633 -3.517 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.951 -3.540 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.983 -4.190 2.408 1.00 0.00 H new ATOM 1981 N ARG A 126 12.369 -5.128 3.320 1.00 0.00 N ATOM 1982 CA ARG A 126 12.318 -5.738 4.648 1.00 0.00 C ATOM 1983 C ARG A 126 13.516 -5.343 5.499 1.00 0.00 C ATOM 1984 O ARG A 126 14.608 -5.104 4.980 1.00 0.00 O ATOM 1985 CB ARG A 126 12.237 -7.258 4.512 1.00 0.00 C ATOM 1986 CG ARG A 126 12.027 -7.993 5.827 1.00 0.00 C ATOM 1987 CD ARG A 126 11.844 -9.484 5.606 1.00 0.00 C ATOM 1988 NE ARG A 126 11.685 -10.213 6.862 1.00 0.00 N ATOM 1989 CZ ARG A 126 10.858 -11.245 7.025 1.00 0.00 C ATOM 1990 NH1 ARG A 126 10.048 -11.617 6.043 1.00 0.00 N ATOM 1991 NH2 ARG A 126 10.832 -11.902 8.175 1.00 0.00 N ATOM 0 H ARG A 126 12.540 -5.798 2.570 1.00 0.00 H new ATOM 0 HA ARG A 126 11.427 -5.370 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.420 -7.508 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.156 -7.619 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.882 -7.823 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.152 -7.589 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.969 -9.652 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.705 -9.878 5.066 1.00 0.00 H new ATOM 0 HE ARG A 126 12.241 -9.914 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.056 -11.112 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.417 -12.408 6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.446 -11.618 8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.198 -12.692 8.297 1.00 0.00 H new ATOM 2005 N ILE A 127 13.300 -5.293 6.805 1.00 0.00 N ATOM 2006 CA ILE A 127 14.288 -4.806 7.729 1.00 0.00 C ATOM 2007 C ILE A 127 15.272 -5.904 8.141 1.00 0.00 C ATOM 2008 O ILE A 127 16.490 -5.701 7.970 1.00 0.00 O ATOM 2009 CB ILE A 127 13.622 -4.181 8.975 1.00 0.00 C ATOM 2010 CG1 ILE A 127 12.271 -4.795 9.289 1.00 0.00 C ATOM 2011 CG2 ILE A 127 13.397 -2.729 8.739 1.00 0.00 C ATOM 2012 CD1 ILE A 127 12.341 -6.195 9.798 1.00 0.00 C ATOM 2013 OXT ILE A 127 14.829 -6.987 8.581 1.00 0.00 O ATOM 0 H ILE A 127 12.430 -5.592 7.245 1.00 0.00 H new ATOM 0 HA ILE A 127 14.854 -4.030 7.213 1.00 0.00 H new ATOM 0 HB ILE A 127 14.296 -4.365 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.766 -4.175 10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.658 -4.778 8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.927 -2.286 9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.352 -2.238 8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.747 -2.597 7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.334 -6.560 9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.816 -6.831 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.925 -6.219 10.718 1.00 0.00 H new