USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -5.51 F(o=-6.2!,f=-5.5) USER MOD Set 2.1: A 39 GLN : amide:sc= 0 X(o=0.25,f=-0.011) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -113:sc= 0.25 (180deg=0) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -3.81! K(o=-8.6!,f=-12) USER MOD Set 3.2: A 13 MET CE :methyl -171:sc= -4.79! (180deg=-3.06!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.452 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.0356 USER MOD Single : A 23 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 128:sc= 0.716 USER MOD Single : A 36 SER OG : rot 78:sc= 0.407 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 110:sc= -0.981 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -1.43! (180deg=-3.63!) USER MOD Single : A 58 SER OG : rot -4:sc= 0.943 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 147:sc= -3.66 (180deg=-5.19!) USER MOD Single : A 69 CYS SG : rot 94:sc= -0.0143 USER MOD Single : A 74 TYR OH : rot -40:sc= 1.24 USER MOD Single : A 75 THR OG1 : rot 141:sc= 1.15 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 22:sc= 0.87 USER MOD Single : A 86 THR OG1 : rot -36:sc= 0.0261 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.352 F(o=-1.3,f=-0.35) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -80:sc= 0.932 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.8!) USER MOD Single : A 111 TYR OH : rot 69:sc= 0.00052 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 28:sc= 1.11 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.86) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot -148:sc= 0.0362 USER MOD Single : B 12 ASN :FLIP amide:sc= -2.63! C(o=-3.4!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.696 -7.600 -25.022 1.00 0.00 N ATOM 2 CA GLY A 1 14.511 -6.775 -24.878 1.00 0.00 C ATOM 3 C GLY A 1 14.148 -6.531 -23.426 1.00 0.00 C ATOM 4 O GLY A 1 14.766 -5.703 -22.755 1.00 0.00 O ATOM 0 H1 GLY A 1 15.903 -7.738 -26.032 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.503 -7.131 -24.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.533 -8.524 -24.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.675 -5.818 -25.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.673 -7.256 -25.383 1.00 0.00 H new ATOM 8 N SER A 2 13.142 -7.251 -22.939 1.00 0.00 N ATOM 9 CA SER A 2 12.695 -7.105 -21.559 1.00 0.00 C ATOM 10 C SER A 2 12.289 -8.453 -20.974 1.00 0.00 C ATOM 11 O SER A 2 11.513 -9.196 -21.576 1.00 0.00 O ATOM 12 CB SER A 2 11.520 -6.128 -21.483 1.00 0.00 C ATOM 13 OG SER A 2 10.877 -6.202 -20.223 1.00 0.00 O ATOM 0 H SER A 2 12.621 -7.941 -23.480 1.00 0.00 H new ATOM 0 HA SER A 2 13.525 -6.710 -20.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.876 -5.112 -21.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.804 -6.353 -22.274 1.00 0.00 H new ATOM 0 HG SER A 2 10.131 -5.567 -20.199 1.00 0.00 H new ATOM 19 N SER A 3 12.820 -8.764 -19.795 1.00 0.00 N ATOM 20 CA SER A 3 12.516 -10.025 -19.129 1.00 0.00 C ATOM 21 C SER A 3 12.304 -9.811 -17.633 1.00 0.00 C ATOM 22 O SER A 3 13.187 -9.315 -16.934 1.00 0.00 O ATOM 23 CB SER A 3 13.645 -11.031 -19.357 1.00 0.00 C ATOM 24 OG SER A 3 14.855 -10.583 -18.770 1.00 0.00 O ATOM 0 H SER A 3 13.462 -8.160 -19.282 1.00 0.00 H new ATOM 0 HA SER A 3 11.595 -10.421 -19.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.367 -11.996 -18.933 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.791 -11.183 -20.427 1.00 0.00 H new ATOM 0 HG SER A 3 14.653 -9.990 -18.017 1.00 0.00 H new ATOM 30 N GLY A 4 11.125 -10.191 -17.149 1.00 0.00 N ATOM 31 CA GLY A 4 10.818 -10.033 -15.739 1.00 0.00 C ATOM 32 C GLY A 4 9.461 -9.398 -15.509 1.00 0.00 C ATOM 33 O GLY A 4 9.004 -8.587 -16.314 1.00 0.00 O ATOM 0 H GLY A 4 10.378 -10.605 -17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.847 -11.008 -15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.587 -9.420 -15.269 1.00 0.00 H new ATOM 37 N SER A 5 8.815 -9.768 -14.408 1.00 0.00 N ATOM 38 CA SER A 5 7.500 -9.232 -14.078 1.00 0.00 C ATOM 39 C SER A 5 7.609 -7.799 -13.565 1.00 0.00 C ATOM 40 O SER A 5 7.970 -7.568 -12.410 1.00 0.00 O ATOM 41 CB SER A 5 6.817 -10.111 -13.028 1.00 0.00 C ATOM 42 OG SER A 5 5.616 -9.516 -12.568 1.00 0.00 O ATOM 0 H SER A 5 9.181 -10.436 -13.730 1.00 0.00 H new ATOM 0 HA SER A 5 6.898 -9.229 -14.987 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.601 -11.091 -13.454 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.493 -10.271 -12.188 1.00 0.00 H new ATOM 0 HG SER A 5 5.198 -10.098 -11.899 1.00 0.00 H new ATOM 48 N SER A 6 7.296 -6.842 -14.431 1.00 0.00 N ATOM 49 CA SER A 6 7.363 -5.430 -14.069 1.00 0.00 C ATOM 50 C SER A 6 6.063 -4.976 -13.413 1.00 0.00 C ATOM 51 O SER A 6 5.518 -3.927 -13.751 1.00 0.00 O ATOM 52 CB SER A 6 7.650 -4.577 -15.305 1.00 0.00 C ATOM 53 OG SER A 6 8.933 -4.861 -15.834 1.00 0.00 O ATOM 0 H SER A 6 6.993 -7.018 -15.389 1.00 0.00 H new ATOM 0 HA SER A 6 8.175 -5.302 -13.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.891 -4.764 -16.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.586 -3.521 -15.044 1.00 0.00 H new ATOM 0 HG SER A 6 9.092 -4.304 -16.625 1.00 0.00 H new ATOM 59 N GLY A 7 5.570 -5.776 -12.472 1.00 0.00 N ATOM 60 CA GLY A 7 4.337 -5.441 -11.784 1.00 0.00 C ATOM 61 C GLY A 7 4.541 -4.391 -10.709 1.00 0.00 C ATOM 62 O GLY A 7 5.326 -3.459 -10.883 1.00 0.00 O ATOM 0 H GLY A 7 6.003 -6.650 -12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.607 -5.079 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.919 -6.341 -11.334 1.00 0.00 H new ATOM 66 N TRP A 8 3.830 -4.540 -9.597 1.00 0.00 N ATOM 67 CA TRP A 8 3.936 -3.595 -8.491 1.00 0.00 C ATOM 68 C TRP A 8 4.458 -4.284 -7.235 1.00 0.00 C ATOM 69 O TRP A 8 4.260 -3.797 -6.121 1.00 0.00 O ATOM 70 CB TRP A 8 2.576 -2.955 -8.209 1.00 0.00 C ATOM 71 CG TRP A 8 1.418 -3.824 -8.595 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.423 -3.518 -9.480 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.135 -5.141 -8.109 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.462 -4.566 -9.572 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.047 -5.574 -8.742 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.766 -5.997 -7.203 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.608 -6.823 -8.495 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.207 -7.237 -6.958 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.030 -7.641 -7.603 1.00 0.00 C ATOM 0 H TRP A 8 3.175 -5.305 -9.437 1.00 0.00 H new ATOM 0 HA TRP A 8 4.644 -2.817 -8.776 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.506 -2.720 -7.147 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.508 -2.011 -8.749 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.344 -2.590 -10.027 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.293 -4.589 -10.163 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.674 -5.695 -6.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.515 -7.136 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.685 -7.906 -6.258 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.381 -8.617 -7.392 1.00 0.00 H new ATOM 90 N TYR A 9 5.123 -5.418 -7.421 1.00 0.00 N ATOM 91 CA TYR A 9 5.671 -6.175 -6.301 1.00 0.00 C ATOM 92 C TYR A 9 7.137 -5.821 -6.070 1.00 0.00 C ATOM 93 O TYR A 9 8.012 -6.211 -6.844 1.00 0.00 O ATOM 94 CB TYR A 9 5.532 -7.677 -6.557 1.00 0.00 C ATOM 95 CG TYR A 9 5.635 -8.516 -5.303 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.568 -8.613 -4.420 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.800 -9.211 -5.003 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.657 -9.378 -3.273 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.898 -9.980 -3.860 1.00 0.00 C ATOM 100 CZ TYR A 9 5.823 -10.060 -2.997 1.00 0.00 C ATOM 101 OH TYR A 9 5.918 -10.824 -1.857 1.00 0.00 O ATOM 0 H TYR A 9 5.296 -5.834 -8.336 1.00 0.00 H new ATOM 0 HA TYR A 9 5.107 -5.912 -5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.571 -7.868 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.305 -7.991 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.653 -8.081 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.643 -9.149 -5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.818 -9.441 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.810 -10.516 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 9 6.805 -11.238 -1.814 1.00 0.00 H new ATOM 111 N HIS A 10 7.398 -5.079 -4.998 1.00 0.00 N ATOM 112 CA HIS A 10 8.758 -4.672 -4.662 1.00 0.00 C ATOM 113 C HIS A 10 9.500 -5.797 -3.947 1.00 0.00 C ATOM 114 O HIS A 10 10.509 -6.301 -4.441 1.00 0.00 O ATOM 115 CB HIS A 10 8.736 -3.421 -3.784 1.00 0.00 C ATOM 116 CG HIS A 10 8.378 -2.172 -4.530 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.315 -1.252 -4.952 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.177 -1.693 -4.930 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.706 -0.261 -5.578 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.407 -0.505 -5.579 1.00 0.00 N ATOM 0 H HIS A 10 6.686 -4.748 -4.347 1.00 0.00 H new ATOM 0 HA HIS A 10 9.283 -4.446 -5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.022 -3.568 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.716 -3.292 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.216 -2.159 -4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.187 0.602 -6.015 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.692 0.092 -5.994 1.00 0.00 H new ATOM 129 N GLY A 11 8.995 -6.185 -2.781 1.00 0.00 N ATOM 130 CA GLY A 11 9.624 -7.246 -2.016 1.00 0.00 C ATOM 131 C GLY A 11 10.348 -6.728 -0.791 1.00 0.00 C ATOM 132 O GLY A 11 9.820 -6.781 0.320 1.00 0.00 O ATOM 0 H GLY A 11 8.161 -5.784 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.866 -7.966 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.330 -7.779 -2.653 1.00 0.00 H new ATOM 136 N HIS A 12 11.563 -6.225 -0.991 1.00 0.00 N ATOM 137 CA HIS A 12 12.363 -5.696 0.107 1.00 0.00 C ATOM 138 C HIS A 12 12.056 -4.219 0.339 1.00 0.00 C ATOM 139 O HIS A 12 12.613 -3.348 -0.329 1.00 0.00 O ATOM 140 CB HIS A 12 13.852 -5.880 -0.183 1.00 0.00 C ATOM 141 CG HIS A 12 14.300 -7.309 -0.133 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.934 -7.935 -1.185 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.203 -8.233 0.851 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.206 -9.184 -0.850 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.773 -9.390 0.381 1.00 0.00 N ATOM 0 H HIS A 12 12.014 -6.173 -1.904 1.00 0.00 H new ATOM 0 HA HIS A 12 12.107 -6.249 1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.075 -5.472 -1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.429 -5.302 0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.760 -8.087 1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.699 -9.913 -1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.850 -10.266 0.898 1.00 0.00 H new ATOM 154 N MET A 13 11.168 -3.946 1.289 1.00 0.00 N ATOM 155 CA MET A 13 10.789 -2.574 1.609 1.00 0.00 C ATOM 156 C MET A 13 10.268 -2.473 3.039 1.00 0.00 C ATOM 157 O MET A 13 9.369 -3.214 3.436 1.00 0.00 O ATOM 158 CB MET A 13 9.724 -2.075 0.630 1.00 0.00 C ATOM 159 CG MET A 13 9.612 -0.561 0.574 1.00 0.00 C ATOM 160 SD MET A 13 8.292 -0.003 -0.521 1.00 0.00 S ATOM 161 CE MET A 13 9.045 -0.271 -2.124 1.00 0.00 C ATOM 0 H MET A 13 10.697 -4.656 1.851 1.00 0.00 H new ATOM 0 HA MET A 13 11.677 -1.948 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.954 -2.451 -0.367 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.758 -2.492 0.913 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.433 -0.176 1.578 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.560 -0.142 0.237 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.419 0.173 -2.899 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.031 0.192 -2.145 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.143 -1.341 -2.306 1.00 0.00 H new ATOM 171 N SER A 14 10.840 -1.551 3.808 1.00 0.00 N ATOM 172 CA SER A 14 10.436 -1.357 5.196 1.00 0.00 C ATOM 173 C SER A 14 9.452 -0.197 5.317 1.00 0.00 C ATOM 174 O SER A 14 9.404 0.683 4.459 1.00 0.00 O ATOM 175 CB SER A 14 11.661 -1.095 6.073 1.00 0.00 C ATOM 176 OG SER A 14 11.368 -1.328 7.441 1.00 0.00 O ATOM 0 H SER A 14 11.584 -0.928 3.494 1.00 0.00 H new ATOM 0 HA SER A 14 9.942 -2.267 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.482 -1.740 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.995 -0.066 5.939 1.00 0.00 H new ATOM 0 HG SER A 14 12.167 -1.155 7.981 1.00 0.00 H new ATOM 182 N GLY A 15 8.669 -0.205 6.391 1.00 0.00 N ATOM 183 CA GLY A 15 7.696 0.851 6.607 1.00 0.00 C ATOM 184 C GLY A 15 8.242 2.223 6.265 1.00 0.00 C ATOM 185 O GLY A 15 7.755 2.882 5.348 1.00 0.00 O ATOM 0 H GLY A 15 8.691 -0.923 7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.811 0.655 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.378 0.840 7.649 1.00 0.00 H new ATOM 189 N GLY A 16 9.259 2.654 7.005 1.00 0.00 N ATOM 190 CA GLY A 16 9.855 3.955 6.761 1.00 0.00 C ATOM 191 C GLY A 16 10.297 4.129 5.322 1.00 0.00 C ATOM 192 O GLY A 16 10.249 5.233 4.782 1.00 0.00 O ATOM 0 H GLY A 16 9.681 2.126 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.136 4.734 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.713 4.088 7.420 1.00 0.00 H new ATOM 196 N GLN A 17 10.731 3.037 4.702 1.00 0.00 N ATOM 197 CA GLN A 17 11.186 3.075 3.317 1.00 0.00 C ATOM 198 C GLN A 17 10.036 3.412 2.375 1.00 0.00 C ATOM 199 O GLN A 17 10.030 4.466 1.739 1.00 0.00 O ATOM 200 CB GLN A 17 11.806 1.733 2.924 1.00 0.00 C ATOM 201 CG GLN A 17 12.878 1.847 1.852 1.00 0.00 C ATOM 202 CD GLN A 17 13.386 0.497 1.388 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.688 -0.377 2.200 1.00 0.00 O ATOM 204 NE2 GLN A 17 13.482 0.319 0.076 1.00 0.00 N ATOM 0 H GLN A 17 10.777 2.115 5.136 1.00 0.00 H new ATOM 0 HA GLN A 17 11.942 3.855 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.239 1.269 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.018 1.069 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.476 2.392 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.713 2.431 2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.221 1.071 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.817 -0.570 -0.295 1.00 0.00 H new ATOM 213 N ALA A 18 9.063 2.512 2.290 1.00 0.00 N ATOM 214 CA ALA A 18 7.906 2.715 1.427 1.00 0.00 C ATOM 215 C ALA A 18 7.472 4.177 1.426 1.00 0.00 C ATOM 216 O ALA A 18 7.324 4.788 0.368 1.00 0.00 O ATOM 217 CB ALA A 18 6.755 1.822 1.867 1.00 0.00 C ATOM 0 H ALA A 18 9.053 1.634 2.809 1.00 0.00 H new ATOM 0 HA ALA A 18 8.191 2.446 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.898 1.985 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.062 0.778 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.479 2.063 2.894 1.00 0.00 H new ATOM 223 N GLU A 19 7.271 4.731 2.617 1.00 0.00 N ATOM 224 CA GLU A 19 6.852 6.122 2.751 1.00 0.00 C ATOM 225 C GLU A 19 7.696 7.031 1.863 1.00 0.00 C ATOM 226 O GLU A 19 7.167 7.853 1.114 1.00 0.00 O ATOM 227 CB GLU A 19 6.960 6.571 4.210 1.00 0.00 C ATOM 228 CG GLU A 19 5.691 6.343 5.012 1.00 0.00 C ATOM 229 CD GLU A 19 5.806 6.840 6.440 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.607 7.766 6.685 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.094 6.301 7.315 1.00 0.00 O ATOM 0 H GLU A 19 7.391 4.239 3.502 1.00 0.00 H new ATOM 0 HA GLU A 19 5.812 6.195 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.782 6.036 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.212 7.631 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.860 6.849 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.457 5.278 5.020 1.00 0.00 H new ATOM 238 N THR A 20 9.014 6.880 1.953 1.00 0.00 N ATOM 239 CA THR A 20 9.933 7.688 1.161 1.00 0.00 C ATOM 240 C THR A 20 9.665 7.521 -0.331 1.00 0.00 C ATOM 241 O THR A 20 9.297 8.475 -1.017 1.00 0.00 O ATOM 242 CB THR A 20 11.400 7.320 1.452 1.00 0.00 C ATOM 243 OG1 THR A 20 11.671 7.456 2.852 1.00 0.00 O ATOM 244 CG2 THR A 20 12.347 8.207 0.659 1.00 0.00 C ATOM 0 H THR A 20 9.469 6.205 2.567 1.00 0.00 H new ATOM 0 HA THR A 20 9.765 8.727 1.444 1.00 0.00 H new ATOM 0 HB THR A 20 11.559 6.285 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.216 6.741 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.377 7.929 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.158 8.080 -0.407 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.185 9.249 0.934 1.00 0.00 H new ATOM 252 N LEU A 21 9.851 6.303 -0.827 1.00 0.00 N ATOM 253 CA LEU A 21 9.628 6.009 -2.238 1.00 0.00 C ATOM 254 C LEU A 21 8.308 6.605 -2.717 1.00 0.00 C ATOM 255 O LEU A 21 8.262 7.311 -3.726 1.00 0.00 O ATOM 256 CB LEU A 21 9.634 4.498 -2.474 1.00 0.00 C ATOM 257 CG LEU A 21 10.888 3.752 -2.016 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.744 3.301 -0.571 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.161 2.563 -2.925 1.00 0.00 C ATOM 0 H LEU A 21 10.156 5.503 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 21 10.439 6.462 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.773 4.067 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.496 4.316 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 21 11.737 4.433 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.646 2.772 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.597 4.171 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.885 2.636 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.057 2.043 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.312 1.880 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.310 2.913 -3.947 1.00 0.00 H new ATOM 271 N LEU A 22 7.236 6.319 -1.987 1.00 0.00 N ATOM 272 CA LEU A 22 5.915 6.827 -2.335 1.00 0.00 C ATOM 273 C LEU A 22 5.901 8.354 -2.334 1.00 0.00 C ATOM 274 O LEU A 22 5.773 8.983 -3.384 1.00 0.00 O ATOM 275 CB LEU A 22 4.868 6.297 -1.354 1.00 0.00 C ATOM 276 CG LEU A 22 4.338 4.889 -1.635 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.473 4.405 -0.482 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.554 4.864 -2.939 1.00 0.00 C ATOM 0 H LEU A 22 7.256 5.737 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 22 5.673 6.479 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.298 6.309 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.024 6.987 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 22 5.189 4.214 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.105 3.402 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.065 4.384 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.628 5.081 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.185 3.855 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.711 5.552 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.204 5.167 -3.760 1.00 0.00 H new ATOM 290 N GLN A 23 6.035 8.940 -1.149 1.00 0.00 N ATOM 291 CA GLN A 23 6.039 10.392 -1.013 1.00 0.00 C ATOM 292 C GLN A 23 6.858 11.041 -2.124 1.00 0.00 C ATOM 293 O GLN A 23 6.439 12.033 -2.717 1.00 0.00 O ATOM 294 CB GLN A 23 6.601 10.796 0.352 1.00 0.00 C ATOM 295 CG GLN A 23 5.650 10.519 1.507 1.00 0.00 C ATOM 296 CD GLN A 23 6.244 10.888 2.852 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.463 10.978 3.002 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.383 11.104 3.840 1.00 0.00 N ATOM 0 H GLN A 23 6.142 8.433 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 23 5.010 10.742 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.535 10.261 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.841 11.859 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.727 11.079 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.385 9.462 1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.381 11.018 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.724 11.356 4.768 1.00 0.00 H new ATOM 307 N ALA A 24 8.028 10.473 -2.399 1.00 0.00 N ATOM 308 CA ALA A 24 8.905 10.995 -3.441 1.00 0.00 C ATOM 309 C ALA A 24 8.171 11.104 -4.772 1.00 0.00 C ATOM 310 O ALA A 24 8.340 12.076 -5.509 1.00 0.00 O ATOM 311 CB ALA A 24 10.136 10.113 -3.585 1.00 0.00 C ATOM 0 H ALA A 24 8.390 9.652 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 24 9.221 11.996 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.782 10.514 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.680 10.090 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.830 9.101 -3.852 1.00 0.00 H new ATOM 317 N LYS A 25 7.354 10.101 -5.076 1.00 0.00 N ATOM 318 CA LYS A 25 6.593 10.083 -6.320 1.00 0.00 C ATOM 319 C LYS A 25 5.708 11.321 -6.433 1.00 0.00 C ATOM 320 O LYS A 25 5.650 11.960 -7.482 1.00 0.00 O ATOM 321 CB LYS A 25 5.732 8.820 -6.397 1.00 0.00 C ATOM 322 CG LYS A 25 4.881 8.740 -7.652 1.00 0.00 C ATOM 323 CD LYS A 25 5.681 8.226 -8.838 1.00 0.00 C ATOM 324 CE LYS A 25 6.296 9.369 -9.632 1.00 0.00 C ATOM 325 NZ LYS A 25 7.577 8.969 -10.277 1.00 0.00 N ATOM 0 H LYS A 25 7.202 9.289 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 25 7.300 10.085 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.380 7.945 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.081 8.780 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.030 8.083 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.479 9.726 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.469 7.561 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.033 7.637 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.593 9.700 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.472 10.218 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.965 9.775 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.257 8.677 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.405 8.176 -10.927 1.00 0.00 H new ATOM 339 N GLY A 26 5.021 11.654 -5.345 1.00 0.00 N ATOM 340 CA GLY A 26 4.150 12.815 -5.343 1.00 0.00 C ATOM 341 C GLY A 26 2.852 12.566 -6.087 1.00 0.00 C ATOM 342 O GLY A 26 2.035 13.473 -6.242 1.00 0.00 O ATOM 0 H GLY A 26 5.052 11.140 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.927 13.097 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.671 13.657 -5.799 1.00 0.00 H new ATOM 346 N GLU A 27 2.663 11.334 -6.549 1.00 0.00 N ATOM 347 CA GLU A 27 1.456 10.971 -7.282 1.00 0.00 C ATOM 348 C GLU A 27 0.395 10.411 -6.339 1.00 0.00 C ATOM 349 O GLU A 27 0.615 9.430 -5.628 1.00 0.00 O ATOM 350 CB GLU A 27 1.783 9.945 -8.368 1.00 0.00 C ATOM 351 CG GLU A 27 2.233 10.567 -9.678 1.00 0.00 C ATOM 352 CD GLU A 27 1.077 10.851 -10.619 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.263 11.744 -10.306 1.00 0.00 O ATOM 354 OE2 GLU A 27 0.987 10.178 -11.667 1.00 0.00 O ATOM 0 H GLU A 27 3.330 10.571 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 27 1.060 11.872 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.566 9.280 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.902 9.330 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.764 11.496 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.940 9.898 -10.169 1.00 0.00 H new ATOM 361 N PRO A 28 -0.785 11.049 -6.332 1.00 0.00 N ATOM 362 CA PRO A 28 -1.904 10.633 -5.481 1.00 0.00 C ATOM 363 C PRO A 28 -2.512 9.309 -5.931 1.00 0.00 C ATOM 364 O PRO A 28 -2.627 9.042 -7.127 1.00 0.00 O ATOM 365 CB PRO A 28 -2.917 11.769 -5.646 1.00 0.00 C ATOM 366 CG PRO A 28 -2.604 12.364 -6.976 1.00 0.00 C ATOM 367 CD PRO A 28 -1.117 12.225 -7.152 1.00 0.00 C ATOM 0 HA PRO A 28 -1.592 10.468 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.940 11.395 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.819 12.506 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.141 11.847 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.906 13.411 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.848 12.075 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.587 13.115 -6.812 1.00 0.00 H new ATOM 375 N TRP A 29 -2.901 8.483 -4.965 1.00 0.00 N ATOM 376 CA TRP A 29 -3.498 7.186 -5.262 1.00 0.00 C ATOM 377 C TRP A 29 -2.448 6.210 -5.780 1.00 0.00 C ATOM 378 O TRP A 29 -2.763 5.277 -6.520 1.00 0.00 O ATOM 379 CB TRP A 29 -4.619 7.342 -6.290 1.00 0.00 C ATOM 380 CG TRP A 29 -5.503 8.523 -6.031 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.909 9.459 -6.939 1.00 0.00 C ATOM 382 CD2 TRP A 29 -6.089 8.898 -4.778 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.712 10.391 -6.327 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.838 10.069 -5.002 1.00 0.00 C ATOM 385 CE3 TRP A 29 -6.055 8.355 -3.491 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.544 10.706 -3.985 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.756 8.989 -2.483 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.494 10.154 -2.734 1.00 0.00 C ATOM 0 H TRP A 29 -2.813 8.689 -3.970 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.915 6.785 -4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.180 7.437 -7.283 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.226 6.437 -6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.639 9.466 -7.985 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.144 11.193 -6.786 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.491 7.456 -3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.111 11.605 -4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.735 8.580 -1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.033 10.625 -1.925 1.00 0.00 H new ATOM 399 N THR A 30 -1.197 6.429 -5.388 1.00 0.00 N ATOM 400 CA THR A 30 -0.100 5.569 -5.814 1.00 0.00 C ATOM 401 C THR A 30 0.059 4.376 -4.878 1.00 0.00 C ATOM 402 O THR A 30 0.669 4.486 -3.814 1.00 0.00 O ATOM 403 CB THR A 30 1.231 6.342 -5.872 1.00 0.00 C ATOM 404 OG1 THR A 30 1.153 7.377 -6.857 1.00 0.00 O ATOM 405 CG2 THR A 30 2.386 5.408 -6.201 1.00 0.00 C ATOM 0 H THR A 30 -0.918 7.195 -4.776 1.00 0.00 H new ATOM 0 HA THR A 30 -0.348 5.213 -6.814 1.00 0.00 H new ATOM 0 HB THR A 30 1.411 6.785 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.414 8.232 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.315 5.977 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.461 4.638 -5.433 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.210 4.939 -7.169 1.00 0.00 H new ATOM 413 N PHE A 31 -0.493 3.237 -5.281 1.00 0.00 N ATOM 414 CA PHE A 31 -0.413 2.022 -4.477 1.00 0.00 C ATOM 415 C PHE A 31 0.855 1.237 -4.802 1.00 0.00 C ATOM 416 O PHE A 31 1.547 1.531 -5.778 1.00 0.00 O ATOM 417 CB PHE A 31 -1.645 1.146 -4.715 1.00 0.00 C ATOM 418 CG PHE A 31 -1.628 0.436 -6.038 1.00 0.00 C ATOM 419 CD1 PHE A 31 -2.045 1.082 -7.191 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.197 -0.878 -6.129 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.031 0.431 -8.411 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.181 -1.533 -7.347 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.599 -0.878 -8.488 1.00 0.00 C ATOM 0 H PHE A 31 -1.001 3.129 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.380 2.312 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.716 0.408 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.539 1.766 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.385 2.106 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.870 -1.396 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.358 0.946 -9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.842 -2.557 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.588 -1.389 -9.440 1.00 0.00 H new ATOM 433 N LEU A 32 1.152 0.238 -3.979 1.00 0.00 N ATOM 434 CA LEU A 32 2.336 -0.589 -4.178 1.00 0.00 C ATOM 435 C LEU A 32 2.360 -1.753 -3.191 1.00 0.00 C ATOM 436 O LEU A 32 2.044 -1.587 -2.013 1.00 0.00 O ATOM 437 CB LEU A 32 3.604 0.252 -4.021 1.00 0.00 C ATOM 438 CG LEU A 32 4.174 0.350 -2.605 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.172 -0.770 -2.352 1.00 0.00 C ATOM 440 CD2 LEU A 32 4.826 1.706 -2.385 1.00 0.00 C ATOM 0 H LEU A 32 0.589 -0.019 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 32 2.299 -0.994 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.373 -0.162 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.393 1.261 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 32 3.353 0.245 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.567 -0.684 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.675 -1.733 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.991 -0.697 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.226 1.757 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.636 1.841 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.084 2.493 -2.523 1.00 0.00 H new ATOM 452 N VAL A 33 2.739 -2.929 -3.680 1.00 0.00 N ATOM 453 CA VAL A 33 2.806 -4.120 -2.841 1.00 0.00 C ATOM 454 C VAL A 33 4.222 -4.346 -2.321 1.00 0.00 C ATOM 455 O VAL A 33 5.198 -3.959 -2.963 1.00 0.00 O ATOM 456 CB VAL A 33 2.346 -5.374 -3.607 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.184 -6.551 -2.658 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.048 -5.096 -4.352 1.00 0.00 C ATOM 0 H VAL A 33 3.004 -3.083 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 33 2.134 -3.952 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 33 3.111 -5.632 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.858 -7.428 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.138 -6.763 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.439 -6.307 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.737 -5.993 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.273 -4.812 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.203 -4.284 -5.062 1.00 0.00 H new ATOM 468 N ARG A 34 4.325 -4.975 -1.156 1.00 0.00 N ATOM 469 CA ARG A 34 5.621 -5.253 -0.549 1.00 0.00 C ATOM 470 C ARG A 34 5.482 -6.244 0.603 1.00 0.00 C ATOM 471 O ARG A 34 4.878 -5.934 1.629 1.00 0.00 O ATOM 472 CB ARG A 34 6.261 -3.957 -0.047 1.00 0.00 C ATOM 473 CG ARG A 34 5.325 -3.099 0.788 1.00 0.00 C ATOM 474 CD ARG A 34 6.085 -2.309 1.841 1.00 0.00 C ATOM 475 NE ARG A 34 6.563 -3.162 2.926 1.00 0.00 N ATOM 476 CZ ARG A 34 6.759 -2.732 4.168 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.518 -1.466 4.479 1.00 0.00 N ATOM 478 NH2 ARG A 34 7.195 -3.570 5.100 1.00 0.00 N ATOM 0 H ARG A 34 3.526 -5.302 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 34 6.263 -5.696 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.141 -4.203 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.606 -3.377 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.782 -2.413 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.583 -3.734 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.932 -1.806 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.438 -1.532 2.249 1.00 0.00 H new ATOM 0 HE ARG A 34 6.757 -4.142 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.182 -0.820 3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.669 -1.138 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.380 -4.545 4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.345 -3.239 6.053 1.00 0.00 H new ATOM 492 N GLU A 35 6.044 -7.435 0.424 1.00 0.00 N ATOM 493 CA GLU A 35 5.981 -8.471 1.448 1.00 0.00 C ATOM 494 C GLU A 35 6.628 -7.994 2.745 1.00 0.00 C ATOM 495 O GLU A 35 7.670 -7.339 2.728 1.00 0.00 O ATOM 496 CB GLU A 35 6.672 -9.745 0.960 1.00 0.00 C ATOM 497 CG GLU A 35 7.947 -9.484 0.176 1.00 0.00 C ATOM 498 CD GLU A 35 8.936 -10.630 0.273 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.545 -11.777 -0.028 1.00 0.00 O ATOM 500 OE2 GLU A 35 10.099 -10.380 0.650 1.00 0.00 O ATOM 0 H GLU A 35 6.548 -7.706 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 35 4.931 -8.688 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.906 -10.373 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.979 -10.307 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.697 -9.312 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.416 -8.572 0.545 1.00 0.00 H new ATOM 507 N SER A 36 6.001 -8.326 3.869 1.00 0.00 N ATOM 508 CA SER A 36 6.513 -7.928 5.176 1.00 0.00 C ATOM 509 C SER A 36 7.874 -8.563 5.442 1.00 0.00 C ATOM 510 O SER A 36 8.264 -9.526 4.781 1.00 0.00 O ATOM 511 CB SER A 36 5.527 -8.326 6.276 1.00 0.00 C ATOM 512 OG SER A 36 4.188 -8.202 5.830 1.00 0.00 O ATOM 0 H SER A 36 5.138 -8.869 3.901 1.00 0.00 H new ATOM 0 HA SER A 36 6.631 -6.844 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.717 -9.354 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.681 -7.696 7.152 1.00 0.00 H new ATOM 0 HG SER A 36 3.962 -8.964 5.256 1.00 0.00 H new ATOM 518 N LEU A 37 8.594 -8.017 6.417 1.00 0.00 N ATOM 519 CA LEU A 37 9.912 -8.529 6.773 1.00 0.00 C ATOM 520 C LEU A 37 9.811 -9.566 7.887 1.00 0.00 C ATOM 521 O LEU A 37 10.292 -10.690 7.748 1.00 0.00 O ATOM 522 CB LEU A 37 10.826 -7.382 7.209 1.00 0.00 C ATOM 523 CG LEU A 37 11.154 -6.342 6.137 1.00 0.00 C ATOM 524 CD1 LEU A 37 11.786 -5.109 6.766 1.00 0.00 C ATOM 525 CD2 LEU A 37 12.076 -6.935 5.082 1.00 0.00 C ATOM 0 H LEU A 37 8.287 -7.220 6.974 1.00 0.00 H new ATOM 0 HA LEU A 37 10.338 -9.010 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.359 -6.872 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.761 -7.807 7.573 1.00 0.00 H new ATOM 0 HG LEU A 37 10.225 -6.043 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.013 -4.380 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.093 -4.671 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.706 -5.392 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.298 -6.180 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.003 -7.263 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.588 -7.787 4.610 1.00 0.00 H new ATOM 537 N SER A 38 9.181 -9.180 8.992 1.00 0.00 N ATOM 538 CA SER A 38 9.017 -10.075 10.131 1.00 0.00 C ATOM 539 C SER A 38 7.726 -10.877 10.012 1.00 0.00 C ATOM 540 O SER A 38 7.753 -12.093 9.827 1.00 0.00 O ATOM 541 CB SER A 38 9.017 -9.278 11.437 1.00 0.00 C ATOM 542 OG SER A 38 10.206 -8.519 11.573 1.00 0.00 O ATOM 0 H SER A 38 8.776 -8.253 9.122 1.00 0.00 H new ATOM 0 HA SER A 38 9.856 -10.771 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.153 -8.614 11.461 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.918 -9.959 12.282 1.00 0.00 H new ATOM 0 HG SER A 38 10.180 -8.018 12.415 1.00 0.00 H new ATOM 548 N GLN A 39 6.596 -10.186 10.118 1.00 0.00 N ATOM 549 CA GLN A 39 5.293 -10.833 10.022 1.00 0.00 C ATOM 550 C GLN A 39 5.314 -11.946 8.979 1.00 0.00 C ATOM 551 O GLN A 39 5.195 -11.707 7.777 1.00 0.00 O ATOM 552 CB GLN A 39 4.215 -9.808 9.668 1.00 0.00 C ATOM 553 CG GLN A 39 2.827 -10.190 10.159 1.00 0.00 C ATOM 554 CD GLN A 39 2.570 -9.746 11.586 1.00 0.00 C ATOM 555 OE1 GLN A 39 2.414 -8.556 11.859 1.00 0.00 O ATOM 556 NE2 GLN A 39 2.525 -10.703 12.505 1.00 0.00 N ATOM 0 H GLN A 39 6.556 -9.178 10.270 1.00 0.00 H new ATOM 0 HA GLN A 39 5.062 -11.272 10.992 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.489 -8.843 10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.187 -9.682 8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.079 -9.745 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.707 -11.271 10.092 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.660 -11.677 12.234 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.356 -10.464 13.482 1.00 0.00 H new ATOM 565 N PRO A 40 5.468 -13.194 9.448 1.00 0.00 N ATOM 566 CA PRO A 40 5.509 -14.369 8.573 1.00 0.00 C ATOM 567 C PRO A 40 4.152 -14.669 7.943 1.00 0.00 C ATOM 568 O PRO A 40 3.157 -14.842 8.644 1.00 0.00 O ATOM 569 CB PRO A 40 5.922 -15.501 9.516 1.00 0.00 C ATOM 570 CG PRO A 40 5.477 -15.051 10.865 1.00 0.00 C ATOM 571 CD PRO A 40 5.616 -13.553 10.868 1.00 0.00 C ATOM 0 HA PRO A 40 6.189 -14.228 7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.448 -16.442 9.236 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.999 -15.666 9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.445 -15.348 11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.087 -15.501 11.648 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.851 -13.080 11.484 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.582 -13.240 11.263 1.00 0.00 H new ATOM 579 N GLY A 41 4.121 -14.729 6.615 1.00 0.00 N ATOM 580 CA GLY A 41 2.883 -15.009 5.913 1.00 0.00 C ATOM 581 C GLY A 41 1.931 -13.829 5.924 1.00 0.00 C ATOM 582 O GLY A 41 0.724 -13.997 6.101 1.00 0.00 O ATOM 0 H GLY A 41 4.932 -14.588 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.107 -15.281 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.396 -15.870 6.371 1.00 0.00 H new ATOM 586 N ASP A 42 2.474 -12.631 5.736 1.00 0.00 N ATOM 587 CA ASP A 42 1.665 -11.418 5.727 1.00 0.00 C ATOM 588 C ASP A 42 2.203 -10.415 4.710 1.00 0.00 C ATOM 589 O ASP A 42 3.394 -10.412 4.395 1.00 0.00 O ATOM 590 CB ASP A 42 1.637 -10.786 7.119 1.00 0.00 C ATOM 591 CG ASP A 42 0.888 -11.638 8.126 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.322 -12.781 8.375 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.133 -11.159 8.664 1.00 0.00 O ATOM 0 H ASP A 42 3.471 -12.474 5.588 1.00 0.00 H new ATOM 0 HA ASP A 42 0.649 -11.691 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.659 -10.632 7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.169 -9.803 7.059 1.00 0.00 H new ATOM 598 N PHE A 43 1.319 -9.564 4.201 1.00 0.00 N ATOM 599 CA PHE A 43 1.704 -8.557 3.219 1.00 0.00 C ATOM 600 C PHE A 43 1.271 -7.164 3.670 1.00 0.00 C ATOM 601 O PHE A 43 0.592 -7.010 4.684 1.00 0.00 O ATOM 602 CB PHE A 43 1.085 -8.878 1.857 1.00 0.00 C ATOM 603 CG PHE A 43 1.640 -10.123 1.227 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.266 -11.376 1.687 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.536 -10.042 0.174 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.774 -12.523 1.108 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.047 -11.186 -0.409 1.00 0.00 C ATOM 608 CZ PHE A 43 2.667 -12.428 0.059 1.00 0.00 C ATOM 0 H PHE A 43 0.331 -9.551 4.452 1.00 0.00 H new ATOM 0 HA PHE A 43 2.790 -8.571 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.007 -8.988 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.248 -8.036 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.569 -11.457 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.839 -9.074 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.473 -13.493 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.744 -11.108 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.067 -13.323 -0.394 1.00 0.00 H new ATOM 618 N VAL A 44 1.673 -6.151 2.909 1.00 0.00 N ATOM 619 CA VAL A 44 1.328 -4.771 3.229 1.00 0.00 C ATOM 620 C VAL A 44 1.058 -3.965 1.964 1.00 0.00 C ATOM 621 O VAL A 44 1.881 -3.931 1.048 1.00 0.00 O ATOM 622 CB VAL A 44 2.449 -4.084 4.032 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.111 -2.621 4.275 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.684 -4.811 5.347 1.00 0.00 C ATOM 0 H VAL A 44 2.238 -6.260 2.067 1.00 0.00 H new ATOM 0 HA VAL A 44 0.423 -4.804 3.836 1.00 0.00 H new ATOM 0 HB VAL A 44 3.369 -4.128 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.914 -2.152 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.997 -2.110 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.180 -2.551 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.479 -4.312 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.768 -4.800 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.974 -5.842 5.146 1.00 0.00 H new ATOM 634 N LEU A 45 -0.101 -3.318 1.917 1.00 0.00 N ATOM 635 CA LEU A 45 -0.481 -2.510 0.763 1.00 0.00 C ATOM 636 C LEU A 45 -0.341 -1.022 1.070 1.00 0.00 C ATOM 637 O LEU A 45 -1.167 -0.442 1.776 1.00 0.00 O ATOM 638 CB LEU A 45 -1.919 -2.824 0.348 1.00 0.00 C ATOM 639 CG LEU A 45 -2.559 -1.850 -0.642 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.971 -2.039 -2.032 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.070 -2.034 -0.670 1.00 0.00 C ATOM 0 H LEU A 45 -0.794 -3.337 2.665 1.00 0.00 H new ATOM 0 HA LEU A 45 0.190 -2.757 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.940 -3.822 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.536 -2.857 1.246 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.343 -0.833 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.438 -1.338 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.897 -1.856 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.156 -3.059 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.509 -1.333 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.307 -3.054 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.478 -1.847 0.324 1.00 0.00 H new ATOM 653 N SER A 46 0.709 -0.408 0.534 1.00 0.00 N ATOM 654 CA SER A 46 0.958 1.012 0.752 1.00 0.00 C ATOM 655 C SER A 46 0.316 1.850 -0.349 1.00 0.00 C ATOM 656 O SER A 46 0.328 1.472 -1.521 1.00 0.00 O ATOM 657 CB SER A 46 2.462 1.285 0.806 1.00 0.00 C ATOM 658 OG SER A 46 3.114 0.381 1.680 1.00 0.00 O ATOM 0 H SER A 46 1.401 -0.872 -0.054 1.00 0.00 H new ATOM 0 HA SER A 46 0.511 1.293 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.886 1.198 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.637 2.308 1.139 1.00 0.00 H new ATOM 0 HG SER A 46 4.074 0.576 1.695 1.00 0.00 H new ATOM 664 N VAL A 47 -0.244 2.993 0.037 1.00 0.00 N ATOM 665 CA VAL A 47 -0.890 3.887 -0.917 1.00 0.00 C ATOM 666 C VAL A 47 -0.694 5.347 -0.521 1.00 0.00 C ATOM 667 O VAL A 47 -0.903 5.722 0.634 1.00 0.00 O ATOM 668 CB VAL A 47 -2.399 3.596 -1.027 1.00 0.00 C ATOM 669 CG1 VAL A 47 -3.078 4.624 -1.918 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.631 2.186 -1.552 1.00 0.00 C ATOM 0 H VAL A 47 -0.263 3.321 1.003 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.421 3.709 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.839 3.667 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.143 4.402 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.940 5.619 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.638 4.589 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.702 1.996 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.178 2.086 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.180 1.465 -0.870 1.00 0.00 H new ATOM 680 N LEU A 48 -0.292 6.166 -1.486 1.00 0.00 N ATOM 681 CA LEU A 48 -0.068 7.586 -1.239 1.00 0.00 C ATOM 682 C LEU A 48 -1.342 8.389 -1.481 1.00 0.00 C ATOM 683 O LEU A 48 -1.652 8.753 -2.615 1.00 0.00 O ATOM 684 CB LEU A 48 1.055 8.109 -2.137 1.00 0.00 C ATOM 685 CG LEU A 48 1.647 9.466 -1.750 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.349 9.378 -0.404 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.608 9.953 -2.824 1.00 0.00 C ATOM 0 H LEU A 48 -0.114 5.872 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 48 0.223 7.706 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.859 7.373 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.676 8.178 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 48 0.833 10.186 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.764 10.352 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.634 9.074 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.154 8.645 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.020 10.919 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.418 9.233 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.075 10.056 -3.769 1.00 0.00 H new ATOM 699 N SER A 49 -2.076 8.663 -0.408 1.00 0.00 N ATOM 700 CA SER A 49 -3.318 9.421 -0.503 1.00 0.00 C ATOM 701 C SER A 49 -3.061 10.816 -1.065 1.00 0.00 C ATOM 702 O SER A 49 -1.972 11.369 -0.907 1.00 0.00 O ATOM 703 CB SER A 49 -3.983 9.527 0.871 1.00 0.00 C ATOM 704 OG SER A 49 -3.066 9.993 1.846 1.00 0.00 O ATOM 0 H SER A 49 -1.832 8.371 0.538 1.00 0.00 H new ATOM 0 HA SER A 49 -3.987 8.892 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.835 10.205 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.370 8.552 1.168 1.00 0.00 H new ATOM 0 HG SER A 49 -3.310 10.903 2.116 1.00 0.00 H new ATOM 710 N ASP A 50 -4.070 11.379 -1.720 1.00 0.00 N ATOM 711 CA ASP A 50 -3.954 12.709 -2.305 1.00 0.00 C ATOM 712 C ASP A 50 -3.941 13.780 -1.219 1.00 0.00 C ATOM 713 O ASP A 50 -3.825 14.971 -1.511 1.00 0.00 O ATOM 714 CB ASP A 50 -5.109 12.964 -3.276 1.00 0.00 C ATOM 715 CG ASP A 50 -5.461 14.435 -3.383 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.302 14.904 -2.589 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.894 15.118 -4.262 1.00 0.00 O ATOM 0 H ASP A 50 -4.978 10.935 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.012 12.759 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.841 12.585 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.986 12.406 -2.947 1.00 0.00 H new ATOM 722 N GLN A 51 -4.062 13.349 0.032 1.00 0.00 N ATOM 723 CA GLN A 51 -4.065 14.273 1.161 1.00 0.00 C ATOM 724 C GLN A 51 -2.642 14.586 1.612 1.00 0.00 C ATOM 725 O GLN A 51 -1.898 13.708 2.052 1.00 0.00 O ATOM 726 CB GLN A 51 -4.865 13.685 2.325 1.00 0.00 C ATOM 727 CG GLN A 51 -6.333 13.461 2.002 1.00 0.00 C ATOM 728 CD GLN A 51 -7.054 12.673 3.078 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.386 13.206 4.137 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.300 11.395 2.812 1.00 0.00 N ATOM 0 H GLN A 51 -4.159 12.367 0.290 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.536 15.201 0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.417 12.736 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.788 14.354 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.824 14.426 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.416 12.932 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.007 10.994 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.782 10.815 3.499 1.00 0.00 H new ATOM 739 N PRO A 52 -2.254 15.864 1.502 1.00 0.00 N ATOM 740 CA PRO A 52 -0.917 16.322 1.895 1.00 0.00 C ATOM 741 C PRO A 52 -0.713 16.287 3.406 1.00 0.00 C ATOM 742 O PRO A 52 -1.672 16.355 4.174 1.00 0.00 O ATOM 743 CB PRO A 52 -0.871 17.763 1.382 1.00 0.00 C ATOM 744 CG PRO A 52 -2.296 18.193 1.331 1.00 0.00 C ATOM 745 CD PRO A 52 -3.089 16.962 0.987 1.00 0.00 C ATOM 0 HA PRO A 52 -0.132 15.685 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.289 18.401 2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.405 17.818 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.613 18.606 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.442 18.973 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.073 16.973 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.250 16.875 -0.088 1.00 0.00 H new ATOM 753 N LYS A 53 0.543 16.182 3.826 1.00 0.00 N ATOM 754 CA LYS A 53 0.875 16.140 5.245 1.00 0.00 C ATOM 755 C LYS A 53 0.644 17.500 5.898 1.00 0.00 C ATOM 756 O LYS A 53 0.084 17.588 6.990 1.00 0.00 O ATOM 757 CB LYS A 53 2.330 15.710 5.438 1.00 0.00 C ATOM 758 CG LYS A 53 2.504 14.209 5.602 1.00 0.00 C ATOM 759 CD LYS A 53 3.726 13.878 6.442 1.00 0.00 C ATOM 760 CE LYS A 53 3.515 14.247 7.902 1.00 0.00 C ATOM 761 NZ LYS A 53 3.943 15.643 8.190 1.00 0.00 N ATOM 0 H LYS A 53 1.349 16.124 3.203 1.00 0.00 H new ATOM 0 HA LYS A 53 0.222 15.411 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.915 16.044 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.735 16.212 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.614 13.788 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.599 13.743 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.946 12.813 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.592 14.412 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.462 14.130 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.074 13.558 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.511 15.659 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.513 16.002 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.104 16.245 8.313 1.00 0.00 H new ATOM 775 N ALA A 54 1.080 18.557 5.220 1.00 0.00 N ATOM 776 CA ALA A 54 0.919 19.912 5.733 1.00 0.00 C ATOM 777 C ALA A 54 0.216 20.804 4.715 1.00 0.00 C ATOM 778 O ALA A 54 -0.696 21.555 5.059 1.00 0.00 O ATOM 779 CB ALA A 54 2.271 20.499 6.108 1.00 0.00 C ATOM 0 H ALA A 54 1.547 18.501 4.315 1.00 0.00 H new ATOM 0 HA ALA A 54 0.296 19.864 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.135 21.511 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.736 19.881 6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.913 20.526 5.227 1.00 0.00 H new ATOM 785 N GLY A 55 0.648 20.716 3.461 1.00 0.00 N ATOM 786 CA GLY A 55 0.048 21.521 2.412 1.00 0.00 C ATOM 787 C GLY A 55 1.084 22.153 1.503 1.00 0.00 C ATOM 788 O GLY A 55 1.085 21.945 0.290 1.00 0.00 O ATOM 0 H GLY A 55 1.402 20.102 3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.621 20.898 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.562 22.304 2.863 1.00 0.00 H new ATOM 792 N PRO A 56 1.991 22.946 2.093 1.00 0.00 N ATOM 793 CA PRO A 56 3.052 23.627 1.347 1.00 0.00 C ATOM 794 C PRO A 56 4.102 22.657 0.816 1.00 0.00 C ATOM 795 O PRO A 56 5.158 22.477 1.423 1.00 0.00 O ATOM 796 CB PRO A 56 3.669 24.567 2.385 1.00 0.00 C ATOM 797 CG PRO A 56 3.376 23.927 3.698 1.00 0.00 C ATOM 798 CD PRO A 56 2.048 23.238 3.535 1.00 0.00 C ATOM 0 HA PRO A 56 2.666 24.138 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.742 24.678 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.233 25.564 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.155 23.214 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.335 24.670 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.991 22.328 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.222 23.877 3.849 1.00 0.00 H new ATOM 806 N GLY A 57 3.805 22.033 -0.320 1.00 0.00 N ATOM 807 CA GLY A 57 4.735 21.088 -0.912 1.00 0.00 C ATOM 808 C GLY A 57 5.062 19.936 0.018 1.00 0.00 C ATOM 809 O GLY A 57 6.172 19.405 -0.009 1.00 0.00 O ATOM 0 H GLY A 57 2.938 22.165 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.310 20.696 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.655 21.608 -1.179 1.00 0.00 H new ATOM 813 N SER A 58 4.093 19.550 0.842 1.00 0.00 N ATOM 814 CA SER A 58 4.285 18.457 1.788 1.00 0.00 C ATOM 815 C SER A 58 4.099 17.107 1.103 1.00 0.00 C ATOM 816 O SER A 58 3.325 16.963 0.156 1.00 0.00 O ATOM 817 CB SER A 58 3.308 18.589 2.957 1.00 0.00 C ATOM 818 OG SER A 58 1.965 18.573 2.503 1.00 0.00 O ATOM 0 H SER A 58 3.168 19.978 0.874 1.00 0.00 H new ATOM 0 HA SER A 58 5.305 18.513 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.467 17.773 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.503 19.517 3.495 1.00 0.00 H new ATOM 0 HG SER A 58 1.951 18.546 1.523 1.00 0.00 H new ATOM 824 N PRO A 59 4.825 16.090 1.591 1.00 0.00 N ATOM 825 CA PRO A 59 4.758 14.733 1.043 1.00 0.00 C ATOM 826 C PRO A 59 3.426 14.053 1.342 1.00 0.00 C ATOM 827 O PRO A 59 3.111 13.761 2.496 1.00 0.00 O ATOM 828 CB PRO A 59 5.901 14.005 1.755 1.00 0.00 C ATOM 829 CG PRO A 59 6.091 14.753 3.030 1.00 0.00 C ATOM 830 CD PRO A 59 5.769 16.189 2.718 1.00 0.00 C ATOM 0 HA PRO A 59 4.843 14.728 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.650 12.961 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.810 14.011 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.436 14.367 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.114 14.652 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.322 16.696 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.662 16.751 2.446 1.00 0.00 H new ATOM 838 N LEU A 60 2.648 13.803 0.295 1.00 0.00 N ATOM 839 CA LEU A 60 1.348 13.157 0.444 1.00 0.00 C ATOM 840 C LEU A 60 1.391 12.093 1.537 1.00 0.00 C ATOM 841 O LEU A 60 2.400 11.410 1.712 1.00 0.00 O ATOM 842 CB LEU A 60 0.915 12.525 -0.880 1.00 0.00 C ATOM 843 CG LEU A 60 0.336 13.482 -1.922 1.00 0.00 C ATOM 844 CD1 LEU A 60 -0.049 12.726 -3.184 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.865 14.224 -1.355 1.00 0.00 C ATOM 0 H LEU A 60 2.894 14.038 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 60 0.623 13.919 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.776 12.021 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.171 11.758 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 60 1.101 14.214 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.459 13.423 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.834 12.241 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.798 11.972 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.264 14.901 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.634 13.506 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.559 14.797 -0.480 1.00 0.00 H new ATOM 857 N ARG A 61 0.291 11.959 2.269 1.00 0.00 N ATOM 858 CA ARG A 61 0.204 10.979 3.345 1.00 0.00 C ATOM 859 C ARG A 61 0.294 9.559 2.795 1.00 0.00 C ATOM 860 O ARG A 61 -0.164 9.281 1.687 1.00 0.00 O ATOM 861 CB ARG A 61 -1.105 11.155 4.119 1.00 0.00 C ATOM 862 CG ARG A 61 -0.997 10.782 5.588 1.00 0.00 C ATOM 863 CD ARG A 61 -0.609 11.980 6.441 1.00 0.00 C ATOM 864 NE ARG A 61 -1.778 12.708 6.927 1.00 0.00 N ATOM 865 CZ ARG A 61 -2.611 12.232 7.846 1.00 0.00 C ATOM 866 NH1 ARG A 61 -2.404 11.033 8.376 1.00 0.00 N ATOM 867 NH2 ARG A 61 -3.653 12.953 8.237 1.00 0.00 N ATOM 0 H ARG A 61 -0.553 12.517 2.137 1.00 0.00 H new ATOM 0 HA ARG A 61 1.043 11.143 4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.428 12.193 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.878 10.544 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.950 10.382 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.256 9.992 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.013 11.643 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.020 12.652 5.857 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.965 13.633 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.604 10.475 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.045 10.670 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.816 13.875 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.291 12.586 8.943 1.00 0.00 H new ATOM 881 N VAL A 62 0.888 8.663 3.577 1.00 0.00 N ATOM 882 CA VAL A 62 1.039 7.272 3.168 1.00 0.00 C ATOM 883 C VAL A 62 0.231 6.344 4.069 1.00 0.00 C ATOM 884 O VAL A 62 0.383 6.359 5.291 1.00 0.00 O ATOM 885 CB VAL A 62 2.516 6.836 3.195 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.699 5.524 2.446 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.403 7.923 2.606 1.00 0.00 C ATOM 0 H VAL A 62 1.272 8.876 4.497 1.00 0.00 H new ATOM 0 HA VAL A 62 0.665 7.200 2.147 1.00 0.00 H new ATOM 0 HB VAL A 62 2.812 6.679 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.749 5.232 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.093 4.749 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.387 5.650 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.443 7.598 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.109 8.113 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.293 8.838 3.189 1.00 0.00 H new ATOM 897 N THR A 63 -0.630 5.537 3.457 1.00 0.00 N ATOM 898 CA THR A 63 -1.464 4.602 4.203 1.00 0.00 C ATOM 899 C THR A 63 -0.875 3.196 4.174 1.00 0.00 C ATOM 900 O THR A 63 -0.565 2.664 3.108 1.00 0.00 O ATOM 901 CB THR A 63 -2.897 4.557 3.643 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.506 5.850 3.750 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.739 3.533 4.388 1.00 0.00 C ATOM 0 H THR A 63 -0.768 5.512 2.447 1.00 0.00 H new ATOM 0 HA THR A 63 -1.495 4.959 5.232 1.00 0.00 H new ATOM 0 HB THR A 63 -2.843 4.265 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.417 5.813 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.747 3.520 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.290 2.546 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.784 3.798 5.444 1.00 0.00 H new ATOM 911 N HIS A 64 -0.724 2.599 5.352 1.00 0.00 N ATOM 912 CA HIS A 64 -0.172 1.253 5.460 1.00 0.00 C ATOM 913 C HIS A 64 -1.230 0.271 5.957 1.00 0.00 C ATOM 914 O HIS A 64 -1.655 0.334 7.111 1.00 0.00 O ATOM 915 CB HIS A 64 1.030 1.245 6.404 1.00 0.00 C ATOM 916 CG HIS A 64 2.070 2.266 6.058 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.375 3.451 6.638 1.00 0.00 N flip ATOM 918 CD2 HIS A 64 2.939 2.125 4.997 1.00 0.00 C flip ATOM 919 CE1 HIS A 64 3.414 3.997 5.925 1.00 0.00 C flip ATOM 920 NE2 HIS A 64 3.736 3.178 4.940 1.00 0.00 N flip ATOM 0 H HIS A 64 -0.976 3.025 6.244 1.00 0.00 H new ATOM 0 HA HIS A 64 0.153 0.940 4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.683 1.422 7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.486 0.255 6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.965 1.285 4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.891 4.943 6.136 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.474 3.332 4.253 1.00 0.00 H new ATOM 929 N ILE A 65 -1.651 -0.633 5.079 1.00 0.00 N ATOM 930 CA ILE A 65 -2.658 -1.627 5.429 1.00 0.00 C ATOM 931 C ILE A 65 -2.073 -3.035 5.402 1.00 0.00 C ATOM 932 O ILE A 65 -1.403 -3.422 4.444 1.00 0.00 O ATOM 933 CB ILE A 65 -3.866 -1.564 4.476 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.482 -0.164 4.488 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.901 -2.609 4.864 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.146 0.215 3.183 1.00 0.00 C ATOM 0 H ILE A 65 -1.310 -0.698 4.120 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.993 -1.396 6.440 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.523 -1.779 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.217 -0.106 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.704 0.565 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.749 -2.552 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.455 -3.602 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.242 -2.423 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.561 1.220 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.410 0.190 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.947 -0.491 2.964 1.00 0.00 H new ATOM 948 N LYS A 66 -2.334 -3.798 6.457 1.00 0.00 N ATOM 949 CA LYS A 66 -1.838 -5.166 6.554 1.00 0.00 C ATOM 950 C LYS A 66 -2.739 -6.128 5.785 1.00 0.00 C ATOM 951 O LYS A 66 -3.866 -6.402 6.198 1.00 0.00 O ATOM 952 CB LYS A 66 -1.748 -5.596 8.020 1.00 0.00 C ATOM 953 CG LYS A 66 -0.418 -5.258 8.672 1.00 0.00 C ATOM 954 CD LYS A 66 -0.559 -5.103 10.178 1.00 0.00 C ATOM 955 CE LYS A 66 0.669 -4.446 10.788 1.00 0.00 C ATOM 956 NZ LYS A 66 1.698 -5.448 11.179 1.00 0.00 N ATOM 0 H LYS A 66 -2.887 -3.492 7.258 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.842 -5.196 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.550 -5.116 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.912 -6.672 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.306 -6.043 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.027 -4.335 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.442 -4.505 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.713 -6.082 10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.099 -3.745 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.374 -3.868 11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.792 -5.463 12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.411 -6.390 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.611 -5.192 10.752 1.00 0.00 H new ATOM 970 N VAL A 67 -2.235 -6.638 4.666 1.00 0.00 N ATOM 971 CA VAL A 67 -2.993 -7.571 3.842 1.00 0.00 C ATOM 972 C VAL A 67 -2.817 -9.005 4.330 1.00 0.00 C ATOM 973 O VAL A 67 -1.746 -9.593 4.186 1.00 0.00 O ATOM 974 CB VAL A 67 -2.569 -7.489 2.364 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.358 -8.481 1.525 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.746 -6.072 1.838 1.00 0.00 C ATOM 0 H VAL A 67 -1.304 -6.420 4.309 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.042 -7.287 3.928 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.513 -7.750 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.044 -8.408 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.175 -9.492 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.422 -8.256 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.442 -6.031 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.793 -5.780 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.130 -5.388 2.422 1.00 0.00 H new ATOM 986 N MET A 68 -3.876 -9.561 4.910 1.00 0.00 N ATOM 987 CA MET A 68 -3.839 -10.928 5.418 1.00 0.00 C ATOM 988 C MET A 68 -3.597 -11.922 4.287 1.00 0.00 C ATOM 989 O MET A 68 -4.043 -11.713 3.158 1.00 0.00 O ATOM 990 CB MET A 68 -5.147 -11.263 6.137 1.00 0.00 C ATOM 991 CG MET A 68 -5.132 -10.922 7.618 1.00 0.00 C ATOM 992 SD MET A 68 -6.710 -11.252 8.424 1.00 0.00 S ATOM 993 CE MET A 68 -7.683 -9.863 7.846 1.00 0.00 C ATOM 0 H MET A 68 -4.770 -9.087 5.040 1.00 0.00 H new ATOM 0 HA MET A 68 -3.014 -11.004 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.964 -10.724 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.354 -12.327 6.020 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.349 -11.498 8.111 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.879 -9.869 7.742 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.723 -10.170 7.731 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.622 -9.050 8.570 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.297 -9.523 6.885 1.00 0.00 H new ATOM 1003 N CYS A 69 -2.889 -13.003 4.597 1.00 0.00 N ATOM 1004 CA CYS A 69 -2.588 -14.029 3.605 1.00 0.00 C ATOM 1005 C CYS A 69 -3.123 -15.387 4.048 1.00 0.00 C ATOM 1006 O CYS A 69 -2.517 -16.062 4.880 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.078 -14.114 3.372 1.00 0.00 C ATOM 1008 SG CYS A 69 -0.544 -15.628 2.539 1.00 0.00 S ATOM 0 H CYS A 69 -2.513 -13.191 5.526 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.078 -13.752 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.764 -13.255 2.779 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.568 -14.041 4.333 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.469 -15.416 1.259 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.263 -15.779 3.488 1.00 0.00 N ATOM 1015 CA GLU A 70 -4.882 -17.054 3.828 1.00 0.00 C ATOM 1016 C GLU A 70 -4.209 -18.201 3.079 1.00 0.00 C ATOM 1017 O GLU A 70 -3.210 -18.005 2.389 1.00 0.00 O ATOM 1018 CB GLU A 70 -6.376 -17.026 3.503 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.241 -16.542 4.654 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.680 -17.006 4.538 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.164 -17.157 3.397 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.322 -17.219 5.589 1.00 0.00 O ATOM 0 H GLU A 70 -4.776 -15.232 2.797 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.755 -17.216 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.539 -16.380 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.695 -18.028 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.822 -16.901 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.216 -15.453 4.689 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.765 -19.401 3.223 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.206 -20.562 2.556 1.00 0.00 C ATOM 1031 C GLY A 71 -3.582 -20.218 1.218 1.00 0.00 C ATOM 1032 O GLY A 71 -2.388 -20.429 1.010 1.00 0.00 O ATOM 0 H GLY A 71 -5.592 -19.589 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.453 -21.018 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.990 -21.304 2.407 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.392 -19.686 0.307 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.894 -19.322 -1.007 1.00 0.00 C ATOM 1038 C GLY A 72 -4.476 -18.015 -1.506 1.00 0.00 C ATOM 1039 O GLY A 72 -4.168 -17.572 -2.612 1.00 0.00 O ATOM 0 H GLY A 72 -5.384 -19.501 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.808 -19.242 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.132 -20.116 -1.715 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.323 -17.396 -0.688 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.952 -16.133 -1.054 1.00 0.00 C ATOM 1045 C ARG A 73 -5.490 -15.008 -0.134 1.00 0.00 C ATOM 1046 O ARG A 73 -4.755 -15.240 0.827 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.476 -16.261 -0.993 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.007 -17.524 -1.652 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.095 -18.674 -0.661 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.616 -19.890 -1.279 1.00 0.00 N ATOM 1051 CZ ARG A 73 -8.594 -21.082 -0.691 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -8.079 -21.215 0.523 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.089 -22.142 -1.317 1.00 0.00 N ATOM 0 H ARG A 73 -5.589 -17.749 0.231 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.654 -15.891 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.792 -16.245 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.925 -15.393 -1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.993 -17.329 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.356 -17.805 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.106 -18.873 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.737 -18.387 0.172 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.019 -19.821 -2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.699 -20.402 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.063 -22.130 0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.487 -22.043 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.071 -23.056 -0.864 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.923 -13.789 -0.433 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.550 -12.627 0.365 1.00 0.00 C ATOM 1069 C TYR A 74 -6.789 -11.862 0.824 1.00 0.00 C ATOM 1070 O TYR A 74 -7.856 -11.960 0.218 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.635 -11.702 -0.438 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.283 -12.305 -0.745 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.368 -12.561 0.268 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.920 -12.620 -2.049 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.132 -13.112 -0.006 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.686 -13.172 -2.333 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.795 -13.416 -1.309 1.00 0.00 C ATOM 1078 OH TYR A 74 0.435 -13.965 -1.589 1.00 0.00 O ATOM 0 H TYR A 74 -6.533 -13.579 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.015 -12.980 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.128 -11.441 -1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.492 -10.775 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.628 -12.325 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.614 -12.430 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.433 -13.304 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.420 -13.411 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 74 1.119 -13.535 -1.035 1.00 0.00 H new ATOM 1088 N THR A 75 -6.638 -11.097 1.901 1.00 0.00 N ATOM 1089 CA THR A 75 -7.742 -10.316 2.443 1.00 0.00 C ATOM 1090 C THR A 75 -7.231 -9.173 3.314 1.00 0.00 C ATOM 1091 O THR A 75 -6.078 -9.178 3.749 1.00 0.00 O ATOM 1092 CB THR A 75 -8.695 -11.193 3.276 1.00 0.00 C ATOM 1093 OG1 THR A 75 -9.959 -10.536 3.427 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.103 -11.487 4.646 1.00 0.00 C ATOM 0 H THR A 75 -5.762 -11.002 2.415 1.00 0.00 H new ATOM 0 HA THR A 75 -8.287 -9.907 1.592 1.00 0.00 H new ATOM 0 HB THR A 75 -8.837 -12.137 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.681 -11.195 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.795 -12.108 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.156 -12.013 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.934 -10.551 5.178 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.095 -8.195 3.567 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.731 -7.047 4.388 1.00 0.00 C ATOM 1104 C VAL A 76 -8.759 -6.809 5.487 1.00 0.00 C ATOM 1105 O VAL A 76 -9.840 -6.277 5.237 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.599 -5.768 3.538 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.439 -5.893 2.562 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.899 -5.484 2.800 1.00 0.00 C ATOM 0 H VAL A 76 -9.052 -8.175 3.215 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.766 -7.275 4.841 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.394 -4.929 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.361 -4.981 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.513 -6.047 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.611 -6.741 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.789 -4.578 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.136 -6.322 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.705 -5.348 3.521 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.415 -7.208 6.708 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.320 -7.029 7.829 1.00 0.00 C ATOM 1120 C GLY A 77 -10.742 -7.435 7.497 1.00 0.00 C ATOM 1121 O GLY A 77 -11.693 -6.944 8.103 1.00 0.00 O ATOM 0 H GLY A 77 -7.527 -7.652 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.966 -7.617 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.307 -5.984 8.139 1.00 0.00 H new ATOM 1125 N GLY A 78 -10.888 -8.336 6.529 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.208 -8.792 6.134 1.00 0.00 C ATOM 1127 C GLY A 78 -12.276 -10.298 5.969 1.00 0.00 C ATOM 1128 O GLY A 78 -11.248 -10.977 5.966 1.00 0.00 O ATOM 0 H GLY A 78 -10.116 -8.758 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.936 -8.478 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.489 -8.314 5.196 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.489 -10.822 5.834 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.688 -12.258 5.671 1.00 0.00 C ATOM 1134 C LEU A 79 -13.524 -12.667 4.211 1.00 0.00 C ATOM 1135 O LEU A 79 -13.221 -13.821 3.911 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.075 -12.661 6.173 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.339 -12.443 7.664 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.831 -12.498 7.956 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.593 -13.476 8.495 1.00 0.00 C ATOM 0 H LEU A 79 -14.350 -10.274 5.834 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.931 -12.775 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.821 -12.103 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.228 -13.716 5.948 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.972 -11.453 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.999 -12.341 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.342 -11.719 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.223 -13.473 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.793 -13.305 9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.928 -14.476 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.523 -13.388 8.309 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.726 -11.713 3.308 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.599 -11.975 1.879 1.00 0.00 C ATOM 1153 C GLU A 80 -12.175 -12.394 1.527 1.00 0.00 C ATOM 1154 O GLU A 80 -11.271 -12.328 2.360 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.992 -10.735 1.073 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.493 -10.565 0.910 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.112 -9.747 2.026 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.451 -8.803 2.507 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.258 -10.050 2.419 1.00 0.00 O ATOM 0 H GLU A 80 -13.978 -10.752 3.540 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.273 -12.793 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.586 -9.850 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.532 -10.793 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.699 -10.083 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.965 -11.547 0.880 1.00 0.00 H new ATOM 1166 N THR A 81 -11.982 -12.828 0.285 1.00 0.00 N ATOM 1167 CA THR A 81 -10.669 -13.259 -0.178 1.00 0.00 C ATOM 1168 C THR A 81 -10.501 -13.002 -1.671 1.00 0.00 C ATOM 1169 O THR A 81 -11.467 -12.699 -2.372 1.00 0.00 O ATOM 1170 CB THR A 81 -10.439 -14.756 0.101 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.373 -15.543 -0.645 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.585 -15.058 1.585 1.00 0.00 C ATOM 0 H THR A 81 -12.719 -12.890 -0.418 1.00 0.00 H new ATOM 0 HA THR A 81 -9.932 -12.676 0.374 1.00 0.00 H new ATOM 0 HB THR A 81 -9.425 -15.009 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.219 -16.494 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.418 -16.121 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.852 -14.479 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.589 -14.790 1.914 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.268 -13.123 -2.152 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.973 -12.903 -3.564 1.00 0.00 C ATOM 1182 C PHE A 82 -7.904 -13.875 -4.054 1.00 0.00 C ATOM 1183 O PHE A 82 -6.983 -14.226 -3.317 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.509 -11.462 -3.791 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.483 -10.433 -3.291 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.582 -10.153 -1.937 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.299 -9.745 -4.175 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.478 -9.208 -1.475 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.196 -8.798 -3.719 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.285 -8.529 -2.367 1.00 0.00 C ATOM 0 H PHE A 82 -8.457 -13.372 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.887 -13.078 -4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.550 -11.315 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.343 -11.306 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.952 -10.679 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.233 -9.951 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.547 -9.000 -0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.826 -8.269 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.985 -7.789 -2.008 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.036 -14.307 -5.304 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.084 -15.240 -5.894 1.00 0.00 C ATOM 1202 C ASP A 83 -5.653 -14.873 -5.510 1.00 0.00 C ATOM 1203 O ASP A 83 -4.904 -15.704 -5.000 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.228 -15.253 -7.416 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.214 -16.161 -8.087 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.810 -17.163 -7.461 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.824 -15.868 -9.236 1.00 0.00 O ATOM 0 H ASP A 83 -8.793 -14.026 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.301 -16.235 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.234 -15.579 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.111 -14.239 -7.798 1.00 0.00 H new ATOM 1212 N SER A 84 -5.282 -13.620 -5.758 1.00 0.00 N ATOM 1213 CA SER A 84 -3.941 -13.143 -5.443 1.00 0.00 C ATOM 1214 C SER A 84 -3.917 -11.622 -5.338 1.00 0.00 C ATOM 1215 O SER A 84 -4.934 -10.957 -5.537 1.00 0.00 O ATOM 1216 CB SER A 84 -2.948 -13.609 -6.509 1.00 0.00 C ATOM 1217 OG SER A 84 -2.535 -14.945 -6.273 1.00 0.00 O ATOM 0 H SER A 84 -5.892 -12.917 -6.176 1.00 0.00 H new ATOM 0 HA SER A 84 -3.650 -13.560 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.407 -13.536 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.079 -12.952 -6.513 1.00 0.00 H new ATOM 0 HG SER A 84 -3.198 -15.398 -5.712 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.747 -11.076 -5.023 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.587 -9.631 -4.891 1.00 0.00 C ATOM 1225 C LEU A 85 -3.224 -8.904 -6.071 1.00 0.00 C ATOM 1226 O LEU A 85 -3.762 -7.806 -5.921 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.104 -9.269 -4.794 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.515 -9.224 -3.384 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.306 -8.267 -2.506 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.492 -10.617 -2.771 1.00 0.00 C ATOM 0 H LEU A 85 -1.895 -11.612 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.092 -9.316 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.535 -9.990 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.957 -8.294 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 85 0.511 -8.861 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.872 -8.248 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.271 -7.266 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.342 -8.600 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.070 -10.566 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.508 -11.008 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.118 -11.276 -3.388 1.00 0.00 H new ATOM 1242 N THR A 86 -3.161 -9.523 -7.245 1.00 0.00 N ATOM 1243 CA THR A 86 -3.733 -8.935 -8.451 1.00 0.00 C ATOM 1244 C THR A 86 -5.247 -8.810 -8.337 1.00 0.00 C ATOM 1245 O THR A 86 -5.803 -7.720 -8.483 1.00 0.00 O ATOM 1246 CB THR A 86 -3.390 -9.770 -9.700 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.972 -9.929 -9.808 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.930 -9.106 -10.958 1.00 0.00 C ATOM 0 H THR A 86 -2.720 -10.432 -7.387 1.00 0.00 H new ATOM 0 HA THR A 86 -3.297 -7.942 -8.556 1.00 0.00 H new ATOM 0 HB THR A 86 -3.857 -10.749 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.527 -9.111 -9.502 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.676 -9.713 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.014 -9.013 -10.884 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.488 -8.116 -11.065 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.911 -9.931 -8.074 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.363 -9.945 -7.938 1.00 0.00 C ATOM 1258 C ASP A 87 -7.812 -9.026 -6.806 1.00 0.00 C ATOM 1259 O ASP A 87 -8.843 -8.359 -6.907 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.858 -11.369 -7.682 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.360 -11.499 -7.844 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.062 -10.478 -7.692 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.833 -12.621 -8.122 1.00 0.00 O ATOM 0 H ASP A 87 -5.467 -10.841 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.794 -9.580 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.361 -12.052 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.577 -11.672 -6.673 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.034 -8.998 -5.730 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.352 -8.161 -4.579 1.00 0.00 C ATOM 1270 C LEU A 88 -7.184 -6.683 -4.916 1.00 0.00 C ATOM 1271 O LEU A 88 -8.153 -5.921 -4.918 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.458 -8.530 -3.393 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.808 -7.871 -2.058 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.424 -8.778 -0.899 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.120 -6.521 -1.933 1.00 0.00 C ATOM 0 H LEU A 88 -6.179 -9.545 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.394 -8.337 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.491 -9.611 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.430 -8.271 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.886 -7.710 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.680 -8.293 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.965 -9.721 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.352 -8.971 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.381 -6.067 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.040 -6.657 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.446 -5.870 -2.745 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.950 -6.283 -5.203 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.655 -4.897 -5.545 1.00 0.00 C ATOM 1289 C VAL A 89 -6.590 -4.391 -6.638 1.00 0.00 C ATOM 1290 O VAL A 89 -7.271 -3.380 -6.466 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.198 -4.732 -6.015 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.938 -3.300 -6.459 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.233 -5.141 -4.912 1.00 0.00 C ATOM 0 H VAL A 89 -5.138 -6.900 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.805 -4.309 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.034 -5.387 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.903 -3.203 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.605 -3.048 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.119 -2.622 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.208 -5.018 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.395 -4.514 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.404 -6.185 -4.648 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.617 -5.099 -7.762 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.469 -4.721 -8.884 1.00 0.00 C ATOM 1305 C GLU A 90 -8.873 -4.367 -8.405 1.00 0.00 C ATOM 1306 O GLU A 90 -9.373 -3.272 -8.665 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.538 -5.857 -9.907 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.347 -5.900 -10.850 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.607 -6.749 -12.080 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.954 -7.937 -11.916 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.464 -6.225 -13.203 1.00 0.00 O ATOM 0 H GLU A 90 -6.059 -5.938 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.033 -3.842 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.606 -6.808 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.451 -5.752 -10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.097 -4.885 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.481 -6.294 -10.318 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.507 -5.303 -7.704 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.855 -5.091 -7.189 1.00 0.00 C ATOM 1320 C HIS A 91 -10.904 -3.860 -6.288 1.00 0.00 C ATOM 1321 O HIS A 91 -11.971 -3.291 -6.055 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.328 -6.322 -6.415 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.618 -6.111 -5.684 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.882 -5.471 -4.522 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.828 -6.590 -6.141 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.233 -5.572 -4.300 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.781 -6.251 -5.290 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.109 -6.215 -7.480 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.520 -4.927 -8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.445 -7.154 -7.109 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.557 -6.609 -5.700 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.974 -7.153 -7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.762 -5.162 -3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.772 -6.476 -5.383 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.744 -3.454 -5.784 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.655 -2.292 -4.908 1.00 0.00 C ATOM 1338 C PHE A 92 -9.329 -1.033 -5.706 1.00 0.00 C ATOM 1339 O PHE A 92 -9.599 0.085 -5.263 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.591 -2.518 -3.832 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.133 -3.122 -2.569 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.290 -2.626 -1.990 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.487 -4.186 -1.961 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.792 -3.180 -0.827 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -8.984 -4.744 -0.798 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.138 -4.241 -0.231 1.00 0.00 C ATOM 0 H PHE A 92 -8.852 -3.913 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.624 -2.155 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.814 -3.169 -4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.117 -1.565 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.806 -1.797 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.585 -4.584 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.694 -2.784 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.470 -5.573 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.529 -4.676 0.677 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.745 -1.222 -6.885 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.383 -0.102 -7.746 1.00 0.00 C ATOM 1358 C LYS A 93 -9.626 0.580 -8.307 1.00 0.00 C ATOM 1359 O LYS A 93 -9.564 1.712 -8.785 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.491 -0.585 -8.894 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.195 -1.226 -8.430 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.091 -1.062 -9.461 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.258 -2.037 -10.616 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.259 -1.795 -11.694 1.00 0.00 N ATOM 0 H LYS A 93 -8.513 -2.139 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.834 0.623 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.046 -1.304 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.257 0.260 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.883 -0.777 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.361 -2.286 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.096 -0.041 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.122 -1.220 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.155 -3.058 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.264 -1.946 -11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.406 -2.480 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.374 -0.830 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.299 -1.907 -11.309 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.756 -0.116 -8.243 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.017 0.422 -8.741 1.00 0.00 C ATOM 1380 C LYS A 94 -12.928 0.829 -7.588 1.00 0.00 C ATOM 1381 O LYS A 94 -13.620 1.846 -7.658 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.722 -0.610 -9.623 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.850 -1.978 -8.977 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.424 -3.001 -9.943 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.335 -3.634 -10.796 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.822 -4.849 -11.504 1.00 0.00 N ATOM 0 H LYS A 94 -10.825 -1.055 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.796 1.308 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.717 -0.242 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.174 -0.710 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.871 -2.311 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.490 -1.907 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.947 -3.777 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.160 -2.521 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.977 -2.908 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.486 -3.897 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.051 -5.251 -12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.140 -5.553 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.616 -4.594 -12.126 1.00 0.00 H new ATOM 1400 N THR A 95 -12.923 0.030 -6.525 1.00 0.00 N ATOM 1401 CA THR A 95 -13.748 0.307 -5.357 1.00 0.00 C ATOM 1402 C THR A 95 -12.980 1.118 -4.320 1.00 0.00 C ATOM 1403 O THR A 95 -13.391 2.216 -3.947 1.00 0.00 O ATOM 1404 CB THR A 95 -14.252 -0.993 -4.703 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.150 -1.724 -4.152 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.986 -1.859 -5.717 1.00 0.00 C ATOM 0 H THR A 95 -12.356 -0.815 -6.450 1.00 0.00 H new ATOM 0 HA THR A 95 -14.604 0.885 -5.706 1.00 0.00 H new ATOM 0 HB THR A 95 -14.946 -0.728 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.695 -2.217 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.333 -2.772 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.841 -1.311 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.310 -2.116 -6.533 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.859 0.571 -3.859 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.050 1.258 -2.869 1.00 0.00 C ATOM 1416 C GLY A 96 -11.212 0.675 -1.480 1.00 0.00 C ATOM 1417 O GLY A 96 -12.142 -0.093 -1.226 1.00 0.00 O ATOM 0 H GLY A 96 -11.497 -0.336 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.001 1.205 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.323 2.313 -2.851 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.306 1.035 -0.579 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.353 0.541 0.792 1.00 0.00 C ATOM 1423 C ILE A 97 -10.829 1.626 1.752 1.00 0.00 C ATOM 1424 O ILE A 97 -10.333 2.752 1.726 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.974 0.032 1.254 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.524 -1.145 0.385 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.024 -0.374 2.720 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.022 -1.258 0.253 1.00 0.00 C ATOM 0 H ILE A 97 -9.530 1.667 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.061 -0.288 0.805 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.249 0.839 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.914 -2.070 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.961 -1.041 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.043 -0.731 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.307 0.487 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.759 -1.168 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.775 -2.113 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.627 -0.349 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.579 -1.393 1.240 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.792 1.278 2.600 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.333 2.222 3.570 1.00 0.00 C ATOM 1442 C GLU A 98 -11.706 2.011 4.944 1.00 0.00 C ATOM 1443 O GLU A 98 -11.668 0.891 5.455 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.854 2.076 3.662 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.479 2.914 4.765 1.00 0.00 C ATOM 1446 CD GLU A 98 -14.516 4.391 4.425 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -13.593 4.862 3.728 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.465 5.077 4.858 1.00 0.00 O ATOM 0 H GLU A 98 -12.213 0.350 2.635 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.091 3.230 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.296 2.359 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.101 1.028 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -15.494 2.563 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.917 2.771 5.688 1.00 0.00 H new ATOM 1455 N GLU A 99 -11.216 3.095 5.538 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.589 3.027 6.853 1.00 0.00 C ATOM 1457 C GLU A 99 -11.600 3.337 7.953 1.00 0.00 C ATOM 1458 O GLU A 99 -12.300 4.347 7.901 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.415 4.004 6.934 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.437 3.877 5.778 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.513 5.074 5.661 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -7.399 5.833 6.646 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.906 5.253 4.585 1.00 0.00 O ATOM 0 H GLU A 99 -11.241 4.030 5.130 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.218 2.013 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.802 5.023 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.881 3.841 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.841 2.974 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.993 3.760 4.848 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.669 2.459 8.950 1.00 0.00 N ATOM 1471 CA ALA A 100 -12.592 2.639 10.063 1.00 0.00 C ATOM 1472 C ALA A 100 -12.763 4.116 10.402 1.00 0.00 C ATOM 1473 O ALA A 100 -13.883 4.612 10.514 1.00 0.00 O ATOM 1474 CB ALA A 100 -12.105 1.869 11.282 1.00 0.00 C ATOM 0 H ALA A 100 -11.097 1.617 9.009 1.00 0.00 H new ATOM 0 HA ALA A 100 -13.564 2.247 9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.804 2.012 12.106 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.041 0.808 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -11.120 2.234 11.574 1.00 0.00 H new ATOM 1480 N SER A 101 -11.643 4.814 10.564 1.00 0.00 N ATOM 1481 CA SER A 101 -11.669 6.234 10.895 1.00 0.00 C ATOM 1482 C SER A 101 -12.677 6.977 10.023 1.00 0.00 C ATOM 1483 O SER A 101 -13.750 7.361 10.486 1.00 0.00 O ATOM 1484 CB SER A 101 -10.278 6.846 10.720 1.00 0.00 C ATOM 1485 OG SER A 101 -9.419 6.475 11.785 1.00 0.00 O ATOM 0 H SER A 101 -10.707 4.419 10.471 1.00 0.00 H new ATOM 0 HA SER A 101 -11.973 6.333 11.937 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.850 6.519 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.358 7.932 10.675 1.00 0.00 H new ATOM 0 HG SER A 101 -8.536 6.878 11.648 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.323 7.174 8.757 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.206 7.870 7.840 1.00 0.00 C ATOM 1493 C GLY A 102 -12.497 8.312 6.575 1.00 0.00 C ATOM 1494 O GLY A 102 -12.842 9.337 5.988 1.00 0.00 O ATOM 0 H GLY A 102 -11.441 6.864 8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.039 7.218 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.629 8.742 8.339 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.501 7.538 6.155 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.742 7.855 4.952 1.00 0.00 C ATOM 1500 C ALA A 103 -10.932 6.784 3.885 1.00 0.00 C ATOM 1501 O ALA A 103 -11.168 5.616 4.198 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.267 8.016 5.287 1.00 0.00 C ATOM 0 H ALA A 103 -11.201 6.687 6.631 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.117 8.797 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.711 8.253 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.144 8.823 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.887 7.087 5.713 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.827 7.186 2.623 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.989 6.261 1.508 1.00 0.00 C ATOM 1510 C PHE A 104 -9.750 6.261 0.617 1.00 0.00 C ATOM 1511 O PHE A 104 -9.462 7.246 -0.063 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.225 6.630 0.685 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.476 5.933 1.137 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.765 4.649 0.702 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.362 6.561 1.997 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.917 4.007 1.115 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.516 5.922 2.413 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.793 4.643 1.973 1.00 0.00 C ATOM 0 H PHE A 104 -10.630 8.148 2.347 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.121 5.259 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.379 7.708 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.041 6.387 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.083 4.145 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -14.149 7.561 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.132 3.008 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.200 6.423 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.692 4.141 2.299 1.00 0.00 H new ATOM 1528 N VAL A 105 -9.021 5.149 0.624 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.814 5.020 -0.183 1.00 0.00 C ATOM 1530 C VAL A 105 -8.149 4.585 -1.605 1.00 0.00 C ATOM 1531 O VAL A 105 -8.938 3.663 -1.814 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.832 4.008 0.435 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.595 3.862 -0.440 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.449 4.429 1.846 1.00 0.00 C ATOM 0 H VAL A 105 -9.246 4.324 1.180 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.342 6.002 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.326 3.038 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.912 3.143 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.888 3.511 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.097 4.828 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.754 3.702 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.974 5.410 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.344 4.477 2.467 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.543 5.253 -2.580 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.778 4.937 -3.984 1.00 0.00 C ATOM 1546 C TYR A 106 -6.488 4.492 -4.665 1.00 0.00 C ATOM 1547 O TYR A 106 -5.401 4.970 -4.336 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.360 6.151 -4.712 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.655 6.652 -4.111 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.650 5.766 -3.718 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.882 8.012 -3.940 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.835 6.220 -3.170 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -11.063 8.474 -3.392 1.00 0.00 C ATOM 1554 CZ TYR A 106 -12.036 7.575 -3.009 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.214 8.032 -2.465 1.00 0.00 O ATOM 0 H TYR A 106 -6.885 6.017 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.494 4.117 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.627 6.958 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.530 5.891 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.495 4.704 -3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.123 8.719 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.599 5.518 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.223 9.534 -3.264 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.195 9.011 -2.420 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.615 3.576 -5.618 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.460 3.065 -6.349 1.00 0.00 C ATOM 1567 C LEU A 107 -5.652 3.229 -7.853 1.00 0.00 C ATOM 1568 O LEU A 107 -6.263 2.384 -8.506 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.227 1.592 -6.009 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.358 1.214 -4.534 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.798 0.855 -4.200 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.427 0.060 -4.194 1.00 0.00 C ATOM 0 H LEU A 107 -7.507 3.171 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.586 3.642 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.934 0.992 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.228 1.316 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.071 2.076 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.871 0.589 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.443 1.710 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.113 0.009 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.534 -0.195 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.683 -0.806 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.396 0.353 -4.394 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.122 4.320 -8.396 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.234 4.594 -9.824 1.00 0.00 C ATOM 1586 C ARG A 108 -4.077 3.958 -10.592 1.00 0.00 C ATOM 1587 O ARG A 108 -4.282 3.329 -11.630 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.259 6.102 -10.076 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.322 6.836 -9.274 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.779 8.101 -9.982 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.655 8.958 -10.352 1.00 0.00 N ATOM 1592 CZ ARG A 108 -5.784 10.073 -11.063 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.982 10.466 -11.476 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -4.715 10.800 -11.360 1.00 0.00 N ATOM 0 H ARG A 108 -4.611 5.028 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.168 4.158 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.281 6.519 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.428 6.282 -11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.177 6.179 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.926 7.091 -8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.340 7.833 -10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.458 8.654 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.720 8.685 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.807 9.912 -11.248 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.078 11.322 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.792 10.503 -11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.816 11.656 -11.906 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.865 4.129 -10.074 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.678 3.573 -10.711 1.00 0.00 C ATOM 1610 C GLN A 109 -0.659 3.125 -9.668 1.00 0.00 C ATOM 1611 O GLN A 109 -0.471 3.766 -8.633 1.00 0.00 O ATOM 1612 CB GLN A 109 -1.046 4.604 -11.647 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.517 5.836 -10.929 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.586 6.890 -10.715 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.609 6.901 -11.399 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.352 7.784 -9.761 1.00 0.00 N ATOM 0 H GLN A 109 -2.680 4.648 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.983 2.703 -11.292 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.229 4.133 -12.193 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.786 4.914 -12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.105 5.541 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.301 6.266 -11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.490 7.737 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.035 8.518 -9.571 1.00 0.00 H new ATOM 1625 N PRO A 110 0.014 1.999 -9.943 1.00 0.00 N ATOM 1626 CA PRO A 110 1.026 1.440 -9.041 1.00 0.00 C ATOM 1627 C PRO A 110 2.286 2.297 -8.982 1.00 0.00 C ATOM 1628 O PRO A 110 2.291 3.442 -9.432 1.00 0.00 O ATOM 1629 CB PRO A 110 1.336 0.074 -9.659 1.00 0.00 C ATOM 1630 CG PRO A 110 0.998 0.225 -11.102 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.158 1.185 -11.158 1.00 0.00 C ATOM 0 HA PRO A 110 0.671 1.386 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.384 -0.193 -9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.744 -0.714 -9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.850 0.607 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.730 -0.735 -11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.128 1.797 -12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.114 0.662 -11.159 1.00 0.00 H new ATOM 1639 N TYR A 111 3.352 1.733 -8.425 1.00 0.00 N ATOM 1640 CA TYR A 111 4.619 2.446 -8.305 1.00 0.00 C ATOM 1641 C TYR A 111 5.788 1.549 -8.698 1.00 0.00 C ATOM 1642 O TYR A 111 6.159 0.635 -7.961 1.00 0.00 O ATOM 1643 CB TYR A 111 4.808 2.954 -6.875 1.00 0.00 C ATOM 1644 CG TYR A 111 6.131 3.652 -6.651 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.318 4.971 -7.046 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.194 2.993 -6.046 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.526 5.613 -6.844 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.403 3.627 -5.839 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.564 4.937 -6.239 1.00 0.00 C ATOM 1650 OH TYR A 111 9.768 5.572 -6.036 1.00 0.00 O ATOM 0 H TYR A 111 3.364 0.785 -8.050 1.00 0.00 H new ATOM 0 HA TYR A 111 4.594 3.297 -8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.998 3.642 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.729 2.113 -6.186 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.506 5.504 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.073 1.967 -5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.656 6.638 -7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.218 3.100 -5.366 1.00 0.00 H new ATOM 0 HH TYR A 111 9.658 6.273 -5.360 1.00 0.00 H new ATOM 1660 N TYR A 112 6.367 1.818 -9.864 1.00 0.00 N ATOM 1661 CA TYR A 112 7.493 1.034 -10.356 1.00 0.00 C ATOM 1662 C TYR A 112 8.813 1.586 -9.827 1.00 0.00 C ATOM 1663 O TYR A 112 8.883 2.727 -9.370 1.00 0.00 O ATOM 1664 CB TYR A 112 7.507 1.027 -11.886 1.00 0.00 C ATOM 1665 CG TYR A 112 6.138 0.854 -12.503 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.360 -0.261 -12.213 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.622 1.803 -13.377 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.109 -0.424 -12.774 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.371 1.648 -13.942 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.618 0.533 -13.638 1.00 0.00 C ATOM 1671 OH TYR A 112 2.373 0.375 -14.201 1.00 0.00 O ATOM 0 H TYR A 112 6.075 2.573 -10.485 1.00 0.00 H new ATOM 0 HA TYR A 112 7.377 0.012 -9.996 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.941 1.962 -12.241 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.156 0.222 -12.231 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.741 -1.013 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.209 2.677 -13.619 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.518 -1.296 -12.538 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.984 2.396 -14.618 1.00 0.00 H new ATOM 0 HH TYR A 112 2.178 1.138 -14.784 1.00 0.00 H new ATOM 1681 N SER A 113 9.858 0.768 -9.893 1.00 0.00 N ATOM 1682 CA SER A 113 11.177 1.171 -9.418 1.00 0.00 C ATOM 1683 C SER A 113 12.100 1.495 -10.588 1.00 0.00 C ATOM 1684 O SER A 113 12.660 0.599 -11.218 1.00 0.00 O ATOM 1685 CB SER A 113 11.793 0.065 -8.559 1.00 0.00 C ATOM 1686 OG SER A 113 12.047 -1.097 -9.328 1.00 0.00 O ATOM 0 H SER A 113 9.817 -0.179 -10.271 1.00 0.00 H new ATOM 0 HA SER A 113 11.059 2.069 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.722 0.421 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.120 -0.179 -7.737 1.00 0.00 H new ATOM 0 HG SER A 113 12.198 -0.844 -10.263 1.00 0.00 H new ATOM 1692 N GLY A 114 12.252 2.785 -10.874 1.00 0.00 N ATOM 1693 CA GLY A 114 13.108 3.206 -11.968 1.00 0.00 C ATOM 1694 C GLY A 114 12.321 3.594 -13.204 1.00 0.00 C ATOM 1695 O GLY A 114 11.955 2.752 -14.023 1.00 0.00 O ATOM 0 H GLY A 114 11.798 3.545 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.714 4.053 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.796 2.399 -12.218 1.00 0.00 H new ATOM 1699 N PRO A 115 12.046 4.899 -13.349 1.00 0.00 N ATOM 1700 CA PRO A 115 11.294 5.426 -14.491 1.00 0.00 C ATOM 1701 C PRO A 115 12.082 5.346 -15.794 1.00 0.00 C ATOM 1702 O PRO A 115 11.563 5.657 -16.866 1.00 0.00 O ATOM 1703 CB PRO A 115 11.043 6.887 -14.107 1.00 0.00 C ATOM 1704 CG PRO A 115 12.147 7.225 -13.165 1.00 0.00 C ATOM 1705 CD PRO A 115 12.451 5.960 -12.411 1.00 0.00 C ATOM 0 HA PRO A 115 10.383 4.856 -14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 115 11.058 7.535 -14.983 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.068 7.011 -13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 115 13.026 7.578 -13.705 1.00 0.00 H new ATOM 0 HG3 PRO A 115 11.849 8.023 -12.485 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.508 5.889 -12.155 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.893 5.905 -11.476 1.00 0.00 H new ATOM 1713 N SER A 116 13.340 4.927 -15.693 1.00 0.00 N ATOM 1714 CA SER A 116 14.202 4.810 -16.863 1.00 0.00 C ATOM 1715 C SER A 116 14.412 3.345 -17.239 1.00 0.00 C ATOM 1716 O SER A 116 14.119 2.933 -18.361 1.00 0.00 O ATOM 1717 CB SER A 116 15.552 5.478 -16.598 1.00 0.00 C ATOM 1718 OG SER A 116 16.505 5.112 -17.580 1.00 0.00 O ATOM 0 H SER A 116 13.784 4.663 -14.813 1.00 0.00 H new ATOM 0 HA SER A 116 13.712 5.315 -17.696 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.430 6.561 -16.592 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.915 5.192 -15.611 1.00 0.00 H new ATOM 0 HG SER A 116 17.359 5.554 -17.388 1.00 0.00 H new ATOM 1724 N SER A 117 14.922 2.566 -16.291 1.00 0.00 N ATOM 1725 CA SER A 117 15.175 1.148 -16.521 1.00 0.00 C ATOM 1726 C SER A 117 13.890 0.338 -16.387 1.00 0.00 C ATOM 1727 O SER A 117 13.510 -0.068 -15.289 1.00 0.00 O ATOM 1728 CB SER A 117 16.224 0.629 -15.538 1.00 0.00 C ATOM 1729 OG SER A 117 16.676 -0.662 -15.907 1.00 0.00 O ATOM 0 H SER A 117 15.168 2.892 -15.356 1.00 0.00 H new ATOM 0 HA SER A 117 15.552 1.032 -17.537 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.068 1.318 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.801 0.596 -14.534 1.00 0.00 H new ATOM 0 HG SER A 117 17.347 -0.970 -15.263 1.00 0.00 H new ATOM 1735 N GLY A 118 13.222 0.106 -17.513 1.00 0.00 N ATOM 1736 CA GLY A 118 11.986 -0.655 -17.501 1.00 0.00 C ATOM 1737 C GLY A 118 12.179 -2.065 -16.981 1.00 0.00 C ATOM 1738 O GLY A 118 11.494 -2.974 -17.447 1.00 0.00 O ATOM 0 H GLY A 118 13.515 0.432 -18.434 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.252 -0.140 -16.882 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.578 -0.696 -18.511 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 14.871 12.201 16.919 1.00 0.00 N ATOM 1744 CA MET B 1 14.765 10.755 16.772 1.00 0.00 C ATOM 1745 C MET B 1 13.305 10.320 16.717 1.00 0.00 C ATOM 1746 O MET B 1 12.493 10.733 17.545 1.00 0.00 O ATOM 1747 CB MET B 1 15.477 10.048 17.927 1.00 0.00 C ATOM 1748 CG MET B 1 15.739 8.574 17.669 1.00 0.00 C ATOM 1749 SD MET B 1 17.026 8.303 16.436 1.00 0.00 S ATOM 1750 CE MET B 1 18.407 7.849 17.482 1.00 0.00 C ATOM 0 H1 MET B 1 15.874 12.474 16.954 1.00 0.00 H new ATOM 0 H2 MET B 1 14.414 12.667 16.109 1.00 0.00 H new ATOM 0 H3 MET B 1 14.401 12.496 17.799 1.00 0.00 H new ATOM 0 HA MET B 1 15.245 10.475 15.834 1.00 0.00 H new ATOM 0 HB2 MET B 1 16.426 10.549 18.119 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.875 10.149 18.830 1.00 0.00 H new ATOM 0 HG2 MET B 1 16.028 8.092 18.603 1.00 0.00 H new ATOM 0 HG3 MET B 1 14.817 8.098 17.337 1.00 0.00 H new ATOM 0 HE1 MET B 1 19.282 7.650 16.863 1.00 0.00 H new ATOM 0 HE2 MET B 1 18.627 8.666 18.169 1.00 0.00 H new ATOM 0 HE3 MET B 1 18.154 6.955 18.051 1.00 0.00 H new ATOM 1760 N ASP B 2 12.977 9.485 15.737 1.00 0.00 N ATOM 1761 CA ASP B 2 11.613 8.994 15.575 1.00 0.00 C ATOM 1762 C ASP B 2 11.592 7.471 15.479 1.00 0.00 C ATOM 1763 O ASP B 2 12.063 6.896 14.499 1.00 0.00 O ATOM 1764 CB ASP B 2 10.973 9.605 14.327 1.00 0.00 C ATOM 1765 CG ASP B 2 9.459 9.631 14.407 1.00 0.00 C ATOM 1766 OD1 ASP B 2 8.850 8.544 14.477 1.00 0.00 O ATOM 1767 OD2 ASP B 2 8.883 10.739 14.400 1.00 0.00 O ATOM 0 H ASP B 2 13.637 9.134 15.043 1.00 0.00 H new ATOM 0 HA ASP B 2 11.039 9.293 16.452 1.00 0.00 H new ATOM 0 HB2 ASP B 2 11.344 10.621 14.192 1.00 0.00 H new ATOM 0 HB3 ASP B 2 11.278 9.035 13.449 1.00 0.00 H new ATOM 1772 N ASN B 3 11.043 6.827 16.503 1.00 0.00 N ATOM 1773 CA ASN B 3 10.962 5.371 16.534 1.00 0.00 C ATOM 1774 C ASN B 3 10.349 4.832 15.244 1.00 0.00 C ATOM 1775 O ASN B 3 9.358 5.365 14.747 1.00 0.00 O ATOM 1776 CB ASN B 3 10.133 4.912 17.736 1.00 0.00 C ATOM 1777 CG ASN B 3 8.771 5.577 17.787 1.00 0.00 C ATOM 1778 OD1 ASN B 3 7.881 5.256 17.000 1.00 0.00 O ATOM 1779 ND2 ASN B 3 8.603 6.509 18.718 1.00 0.00 N ATOM 0 H ASN B 3 10.648 7.289 17.322 1.00 0.00 H new ATOM 0 HA ASN B 3 11.974 4.977 16.626 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.005 3.830 17.694 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.677 5.133 18.655 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.708 6.991 18.802 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.369 6.743 19.349 1.00 0.00 H new ATOM 1786 N GLN B 4 10.948 3.773 14.709 1.00 0.00 N ATOM 1787 CA GLN B 4 10.461 3.163 13.478 1.00 0.00 C ATOM 1788 C GLN B 4 9.045 2.626 13.658 1.00 0.00 C ATOM 1789 O GLN B 4 8.497 2.649 14.759 1.00 0.00 O ATOM 1790 CB GLN B 4 11.394 2.031 13.041 1.00 0.00 C ATOM 1791 CG GLN B 4 11.437 0.867 14.016 1.00 0.00 C ATOM 1792 CD GLN B 4 12.178 -0.334 13.460 1.00 0.00 C ATOM 1793 OE1 GLN B 4 11.564 -1.288 12.981 1.00 0.00 O ATOM 1794 NE2 GLN B 4 13.503 -0.292 13.520 1.00 0.00 N ATOM 0 H GLN B 4 11.770 3.320 15.108 1.00 0.00 H new ATOM 0 HA GLN B 4 10.444 3.931 12.705 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.075 1.665 12.065 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.401 2.429 12.918 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.917 1.190 14.940 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.419 0.574 14.271 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.970 0.519 13.926 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.055 -1.071 13.160 1.00 0.00 H new ATOM 1803 N GLY B 5 8.456 2.145 12.568 1.00 0.00 N ATOM 1804 CA GLY B 5 7.108 1.611 12.627 1.00 0.00 C ATOM 1805 C GLY B 5 6.063 2.624 12.199 1.00 0.00 C ATOM 1806 O GLY B 5 5.905 3.668 12.832 1.00 0.00 O ATOM 0 H GLY B 5 8.888 2.116 11.645 1.00 0.00 H new ATOM 0 HA2 GLY B 5 7.041 0.732 11.987 1.00 0.00 H new ATOM 0 HA3 GLY B 5 6.895 1.282 13.644 1.00 0.00 H new ATOM 1810 N VAL B 6 5.351 2.316 11.120 1.00 0.00 N ATOM 1811 CA VAL B 6 4.316 3.208 10.608 1.00 0.00 C ATOM 1812 C VAL B 6 2.928 2.729 11.015 1.00 0.00 C ATOM 1813 O VAL B 6 2.633 1.535 10.965 1.00 0.00 O ATOM 1814 CB VAL B 6 4.381 3.318 9.073 1.00 0.00 C ATOM 1815 CG1 VAL B 6 5.705 3.926 8.636 1.00 0.00 C ATOM 1816 CG2 VAL B 6 4.174 1.953 8.432 1.00 0.00 C ATOM 0 H VAL B 6 5.471 1.457 10.584 1.00 0.00 H new ATOM 0 HA VAL B 6 4.499 4.190 11.043 1.00 0.00 H new ATOM 0 HB VAL B 6 3.579 3.976 8.739 1.00 0.00 H new ATOM 0 HG11 VAL B 6 5.732 3.996 7.549 1.00 0.00 H new ATOM 0 HG12 VAL B 6 5.807 4.922 9.066 1.00 0.00 H new ATOM 0 HG13 VAL B 6 6.526 3.296 8.980 1.00 0.00 H new ATOM 0 HG21 VAL B 6 4.223 2.049 7.347 1.00 0.00 H new ATOM 0 HG22 VAL B 6 4.953 1.270 8.771 1.00 0.00 H new ATOM 0 HG23 VAL B 6 3.198 1.561 8.718 1.00 0.00 H new ATOM 1826 N ILE B 7 2.078 3.669 11.416 1.00 0.00 N ATOM 1827 CA ILE B 7 0.719 3.343 11.829 1.00 0.00 C ATOM 1828 C ILE B 7 -0.089 2.780 10.666 1.00 0.00 C ATOM 1829 O ILE B 7 0.028 3.246 9.532 1.00 0.00 O ATOM 1830 CB ILE B 7 -0.008 4.577 12.396 1.00 0.00 C ATOM 1831 CG1 ILE B 7 0.846 5.249 13.473 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -1.364 4.181 12.959 1.00 0.00 C ATOM 1833 CD1 ILE B 7 0.969 4.435 14.742 1.00 0.00 C ATOM 0 H ILE B 7 2.307 4.662 11.463 1.00 0.00 H new ATOM 0 HA ILE B 7 0.799 2.588 12.611 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.167 5.290 11.587 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.842 5.434 13.072 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.414 6.220 13.714 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.865 5.064 13.356 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.973 3.743 12.168 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -1.228 3.452 13.758 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.588 4.973 15.461 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -0.021 4.271 15.167 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.429 3.474 14.514 1.00 0.00 H new HETATM 1845 N PTR B 8 -0.913 1.778 10.955 1.00 0.00 N HETATM 1846 CA PTR B 8 -1.742 1.151 9.931 1.00 0.00 C HETATM 1847 C PTR B 8 -3.207 1.539 10.105 1.00 0.00 C HETATM 1848 O PTR B 8 -3.823 1.240 11.126 1.00 0.00 O HETATM 1849 CB PTR B 8 -1.595 -0.370 9.988 1.00 0.00 C HETATM 1850 CG PTR B 8 -0.314 -0.880 9.366 1.00 0.00 C HETATM 1851 CD1 PTR B 8 0.923 -0.541 9.901 1.00 0.00 C HETATM 1852 CD2 PTR B 8 -0.342 -1.697 8.243 1.00 0.00 C HETATM 1853 CE1 PTR B 8 2.095 -1.004 9.335 1.00 0.00 C HETATM 1854 CE2 PTR B 8 0.826 -2.166 7.672 1.00 0.00 C HETATM 1855 CZ PTR B 8 2.041 -1.816 8.221 1.00 0.00 C HETATM 1856 OH PTR B 8 3.207 -2.279 7.654 1.00 0.00 O HETATM 1857 P PTR B 8 4.341 -3.100 8.428 1.00 0.00 P HETATM 1858 O1P PTR B 8 5.371 -2.175 8.949 1.00 0.00 O HETATM 1859 O2P PTR B 8 3.745 -3.842 9.561 1.00 0.00 O HETATM 1860 O3P PTR B 8 4.984 -4.064 7.508 1.00 0.00 O HETATM 0 HE2 PTR B 8 0.787 -2.809 6.793 1.00 0.00 H new HETATM 0 HE1 PTR B 8 3.058 -0.729 9.766 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -1.301 -1.973 7.805 1.00 0.00 H new HETATM 0 HD1 PTR B 8 0.969 0.100 10.781 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.637 -0.692 11.029 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -2.443 -0.828 9.479 1.00 0.00 H new HETATM 0 HA PTR B 8 -1.404 1.506 8.957 1.00 0.00 H new ATOM 1869 N SER B 9 -3.757 2.207 9.096 1.00 0.00 N ATOM 1870 CA SER B 9 -5.150 2.641 9.136 1.00 0.00 C ATOM 1871 C SER B 9 -6.093 1.449 8.996 1.00 0.00 C ATOM 1872 O SER B 9 -6.262 0.902 7.907 1.00 0.00 O ATOM 1873 CB SER B 9 -5.423 3.655 8.024 1.00 0.00 C ATOM 1874 OG SER B 9 -4.964 4.946 8.388 1.00 0.00 O ATOM 0 H SER B 9 -3.261 2.460 8.241 1.00 0.00 H new ATOM 0 HA SER B 9 -5.330 3.115 10.101 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.929 3.335 7.106 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.492 3.691 7.815 1.00 0.00 H new ATOM 0 HG SER B 9 -5.543 5.625 7.983 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.706 1.055 10.107 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.634 -0.071 10.110 1.00 0.00 C ATOM 1882 C ASP B 10 -8.720 0.118 9.055 1.00 0.00 C ATOM 1883 O ASP B 10 -8.715 1.102 8.313 1.00 0.00 O ATOM 1884 CB ASP B 10 -8.269 -0.232 11.491 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.492 -1.184 12.379 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -6.882 -2.132 11.840 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.494 -0.983 13.611 1.00 0.00 O ATOM 0 H ASP B 10 -6.577 1.498 11.017 1.00 0.00 H new ATOM 0 HA ASP B 10 -7.073 -0.974 9.870 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -8.331 0.743 11.975 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -9.290 -0.597 11.378 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.648 -0.830 8.994 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.742 -0.768 8.030 1.00 0.00 C ATOM 1894 C LEU B 11 -12.088 -0.656 8.738 1.00 0.00 C ATOM 1895 O LEU B 11 -12.148 -0.517 9.959 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.727 -2.008 7.133 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.660 -2.030 6.038 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.401 -1.314 6.502 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.342 -3.462 5.632 1.00 0.00 C ATOM 0 H LEU B 11 -9.665 -1.650 9.600 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.601 0.121 7.415 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.590 -2.887 7.764 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.705 -2.103 6.662 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.051 -1.504 5.167 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.654 -1.341 5.709 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.639 -0.278 6.742 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.006 -1.810 7.389 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.581 -3.458 4.852 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.972 -4.012 6.497 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.245 -3.943 5.256 1.00 0.00 H new ATOM 1911 N ASN B 12 -13.166 -0.721 7.964 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.511 -0.628 8.519 1.00 0.00 C ATOM 1913 C ASN B 12 -14.941 -1.958 9.129 1.00 0.00 C ATOM 1914 O ASN B 12 -15.326 -2.021 10.298 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.505 -0.209 7.432 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.011 -1.388 6.625 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -15.247 -1.786 5.614 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -17.077 -1.937 6.908 1.00 0.00 N flip ATOM 0 H ASN B 12 -13.134 -0.838 6.951 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.501 0.126 9.306 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -16.350 0.301 7.894 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -15.027 0.507 6.763 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.632 -1.598 7.694 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.404 -2.730 6.357 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.871 -3.019 8.333 1.00 0.00 N ATOM 1926 CA LEU B 13 -15.251 -4.349 8.796 1.00 0.00 C ATOM 1927 C LEU B 13 -14.718 -4.611 10.200 1.00 0.00 C ATOM 1928 O LEU B 13 -15.453 -5.001 11.108 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.727 -5.415 7.832 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.501 -4.962 6.389 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -13.089 -4.423 6.214 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.758 -6.110 5.424 1.00 0.00 C ATOM 0 H LEU B 13 -14.555 -2.984 7.364 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.339 -4.398 8.826 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.785 -5.798 8.223 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.431 -6.247 7.824 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.205 -4.160 6.165 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.946 -4.105 5.181 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.939 -3.573 6.879 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.369 -5.204 6.456 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.593 -5.770 4.402 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.078 -6.932 5.647 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.788 -6.451 5.531 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.409 -4.388 10.387 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.747 -4.592 11.680 1.00 0.00 C ATOM 1946 C PRO B 14 -13.171 -3.555 12.716 1.00 0.00 C ATOM 1947 O PRO B 14 -13.588 -2.445 12.384 1.00 0.00 O ATOM 1948 CB PRO B 14 -11.262 -4.438 11.347 1.00 0.00 C ATOM 1949 CG PRO B 14 -11.233 -3.578 10.131 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.472 -3.922 9.351 1.00 0.00 C ATOM 0 HA PRO B 14 -13.000 -5.556 12.121 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.717 -3.977 12.171 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.796 -5.405 11.159 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -11.222 -2.522 10.400 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -10.336 -3.766 9.541 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.863 -3.057 8.816 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.277 -4.695 8.608 1.00 0.00 H new ATOM 1958 N PRO B 15 -13.062 -3.923 14.001 1.00 0.00 N ATOM 1959 CA PRO B 15 -13.428 -3.040 15.111 1.00 0.00 C ATOM 1960 C PRO B 15 -12.462 -1.869 15.263 1.00 0.00 C ATOM 1961 O PRO B 15 -11.270 -2.062 15.500 1.00 0.00 O ATOM 1962 CB PRO B 15 -13.352 -3.957 16.335 1.00 0.00 C ATOM 1963 CG PRO B 15 -12.391 -5.027 15.948 1.00 0.00 C ATOM 1964 CD PRO B 15 -12.572 -5.231 14.469 1.00 0.00 C ATOM 0 HA PRO B 15 -14.407 -2.584 14.963 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -13.007 -3.414 17.215 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.330 -4.372 16.580 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -11.367 -4.734 16.179 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -12.591 -5.948 16.496 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -11.636 -5.506 13.984 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.286 -6.027 14.258 1.00 0.00 H new TER 1972 PRO B 15