USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN : amide:sc= 1.65 K(o=2.7,f=-0.58) USER MOD Set 1.2: A 88 SER OG : rot -53:sc= 0.999 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0979 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=-0.33) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -146:sc= 1.29 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 81:sc= 1.08 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc=-0.00938 USER MOD Single : A 20 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -9:sc= 1.09 USER MOD Single : A 31 SER OG : rot 45:sc= 0.0521 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 168:sc= 0.159 USER MOD Single : A 39 TYR OH : rot 94:sc= 0.613 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.359 K(o=0.36,f=-4.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 65 SER OG : rot -2:sc= 0.185 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 68 TYR OH : rot -129:sc= 0.144 USER MOD Single : A 71 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -69:sc= 1.49 USER MOD Single : A 82 THR OG1 : rot 8:sc= 0.958 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.569 K(o=0.57,f=-3.4!) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.719) USER MOD Single : A 102 THR OG1 : rot 55:sc= 0.0013 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00658 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.276 -7.785 0.216 1.00 0.00 N ATOM 2 CA GLY A 1 -29.520 -7.376 -0.971 1.00 0.00 C ATOM 3 C GLY A 1 -30.390 -6.509 -1.852 1.00 0.00 C ATOM 4 O GLY A 1 -31.604 -6.689 -1.853 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.973 -8.735 0.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.101 -7.111 0.988 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.292 -7.799 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.626 -6.828 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.187 -8.255 -1.523 1.00 0.00 H new ATOM 8 N HIS A 2 -29.789 -5.590 -2.605 1.00 0.00 N ATOM 9 CA HIS A 2 -30.446 -4.838 -3.663 1.00 0.00 C ATOM 10 C HIS A 2 -29.338 -4.513 -4.652 1.00 0.00 C ATOM 11 O HIS A 2 -28.337 -3.905 -4.262 1.00 0.00 O ATOM 12 CB HIS A 2 -31.107 -3.565 -3.114 1.00 0.00 C ATOM 13 CG HIS A 2 -32.009 -2.883 -4.117 1.00 0.00 C ATOM 14 ND1 HIS A 2 -31.655 -2.376 -5.355 1.00 0.00 N ATOM 15 CD2 HIS A 2 -33.347 -2.647 -3.944 1.00 0.00 C ATOM 16 CE1 HIS A 2 -32.756 -1.838 -5.906 1.00 0.00 C ATOM 17 NE2 HIS A 2 -33.799 -1.962 -5.071 1.00 0.00 N ATOM 0 H HIS A 2 -28.806 -5.344 -2.490 1.00 0.00 H new ATOM 0 HA HIS A 2 -31.253 -5.403 -4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -31.687 -3.818 -2.227 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -30.331 -2.867 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -33.942 -2.938 -3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -32.796 -1.373 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -34.746 -1.619 -5.231 1.00 0.00 H new ATOM 25 N MET A 3 -29.485 -4.951 -5.897 1.00 0.00 N ATOM 26 CA MET A 3 -28.471 -4.848 -6.939 1.00 0.00 C ATOM 27 C MET A 3 -29.157 -4.356 -8.212 1.00 0.00 C ATOM 28 O MET A 3 -30.271 -3.837 -8.133 1.00 0.00 O ATOM 29 CB MET A 3 -27.745 -6.203 -7.082 1.00 0.00 C ATOM 30 CG MET A 3 -26.227 -6.017 -7.182 1.00 0.00 C ATOM 31 SD MET A 3 -25.278 -7.499 -6.752 1.00 0.00 S ATOM 32 CE MET A 3 -23.605 -6.802 -6.831 1.00 0.00 C ATOM 0 H MET A 3 -30.341 -5.402 -6.219 1.00 0.00 H new ATOM 0 HA MET A 3 -27.692 -4.125 -6.695 1.00 0.00 H new ATOM 0 HB2 MET A 3 -27.980 -6.835 -6.226 1.00 0.00 H new ATOM 0 HB3 MET A 3 -28.109 -6.720 -7.970 1.00 0.00 H new ATOM 0 HG2 MET A 3 -25.973 -5.717 -8.199 1.00 0.00 H new ATOM 0 HG3 MET A 3 -25.926 -5.201 -6.525 1.00 0.00 H new ATOM 0 HE1 MET A 3 -22.876 -7.577 -6.593 1.00 0.00 H new ATOM 0 HE2 MET A 3 -23.416 -6.423 -7.835 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.516 -5.987 -6.113 1.00 0.00 H new ATOM 42 N GLY A 4 -28.498 -4.444 -9.368 1.00 0.00 N ATOM 43 CA GLY A 4 -29.026 -3.925 -10.623 1.00 0.00 C ATOM 44 C GLY A 4 -28.717 -2.437 -10.748 1.00 0.00 C ATOM 45 O GLY A 4 -28.208 -2.018 -11.787 1.00 0.00 O ATOM 0 H GLY A 4 -27.580 -4.879 -9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.589 -4.467 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.103 -4.085 -10.667 1.00 0.00 H new ATOM 49 N SER A 5 -28.939 -1.664 -9.680 1.00 0.00 N ATOM 50 CA SER A 5 -28.629 -0.244 -9.599 1.00 0.00 C ATOM 51 C SER A 5 -27.180 0.025 -10.034 1.00 0.00 C ATOM 52 O SER A 5 -26.301 -0.786 -9.710 1.00 0.00 O ATOM 53 CB SER A 5 -28.804 0.219 -8.148 1.00 0.00 C ATOM 54 OG SER A 5 -29.961 -0.338 -7.552 1.00 0.00 O ATOM 0 H SER A 5 -29.354 -2.028 -8.822 1.00 0.00 H new ATOM 0 HA SER A 5 -29.301 0.300 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.925 -0.064 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.869 1.307 -8.119 1.00 0.00 H new ATOM 0 HG SER A 5 -30.038 -0.021 -6.628 1.00 0.00 H new ATOM 60 N PRO A 6 -26.897 1.153 -10.702 1.00 0.00 N ATOM 61 CA PRO A 6 -25.556 1.494 -11.146 1.00 0.00 C ATOM 62 C PRO A 6 -24.696 1.894 -9.956 1.00 0.00 C ATOM 63 O PRO A 6 -25.009 2.841 -9.227 1.00 0.00 O ATOM 64 CB PRO A 6 -25.721 2.656 -12.118 1.00 0.00 C ATOM 65 CG PRO A 6 -26.990 3.338 -11.612 1.00 0.00 C ATOM 66 CD PRO A 6 -27.845 2.174 -11.119 1.00 0.00 C ATOM 0 HA PRO A 6 -25.059 0.651 -11.626 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.863 3.328 -12.095 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.829 2.312 -13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -26.774 4.045 -10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -27.489 3.896 -12.404 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -28.485 2.479 -10.291 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.500 1.804 -11.908 1.00 0.00 H new ATOM 74 N VAL A 7 -23.583 1.203 -9.781 1.00 0.00 N ATOM 75 CA VAL A 7 -22.614 1.525 -8.747 1.00 0.00 C ATOM 76 C VAL A 7 -21.610 2.513 -9.342 1.00 0.00 C ATOM 77 O VAL A 7 -21.320 2.456 -10.540 1.00 0.00 O ATOM 78 CB VAL A 7 -21.970 0.225 -8.219 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.153 0.497 -6.948 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.043 -0.827 -7.880 1.00 0.00 C ATOM 0 H VAL A 7 -23.325 0.400 -10.354 1.00 0.00 H new ATOM 0 HA VAL A 7 -23.078 2.001 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.320 -0.151 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.709 -0.434 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.363 1.215 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.806 0.903 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.561 -1.732 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.710 -0.432 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.618 -1.062 -8.776 1.00 0.00 H new ATOM 90 N SER A 8 -21.049 3.390 -8.513 1.00 0.00 N ATOM 91 CA SER A 8 -19.882 4.203 -8.837 1.00 0.00 C ATOM 92 C SER A 8 -18.811 3.952 -7.781 1.00 0.00 C ATOM 93 O SER A 8 -19.145 3.683 -6.625 1.00 0.00 O ATOM 94 CB SER A 8 -20.270 5.682 -8.862 1.00 0.00 C ATOM 95 OG SER A 8 -21.115 5.957 -9.959 1.00 0.00 O ATOM 0 H SER A 8 -21.404 3.559 -7.572 1.00 0.00 H new ATOM 0 HA SER A 8 -19.497 3.934 -9.821 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.774 5.947 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.373 6.298 -8.924 1.00 0.00 H new ATOM 0 HG SER A 8 -21.354 6.907 -9.958 1.00 0.00 H new ATOM 101 N TYR A 9 -17.537 4.041 -8.156 1.00 0.00 N ATOM 102 CA TYR A 9 -16.400 3.838 -7.265 1.00 0.00 C ATOM 103 C TYR A 9 -15.471 5.043 -7.279 1.00 0.00 C ATOM 104 O TYR A 9 -15.433 5.830 -8.228 1.00 0.00 O ATOM 105 CB TYR A 9 -15.616 2.586 -7.665 1.00 0.00 C ATOM 106 CG TYR A 9 -16.071 1.292 -7.030 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.332 0.768 -7.326 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.208 0.578 -6.183 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.690 -0.505 -6.857 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.552 -0.701 -5.706 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.811 -1.258 -6.047 1.00 0.00 C ATOM 112 OH TYR A 9 -17.246 -2.455 -5.555 1.00 0.00 O ATOM 0 H TYR A 9 -17.261 4.262 -9.113 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.793 3.709 -6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.672 2.476 -8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.567 2.742 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.031 1.343 -7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.265 1.017 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.654 -0.916 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.863 -1.254 -5.085 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.857 -2.605 -4.668 1.00 0.00 H new ATOM 122 N TYR A 10 -14.684 5.136 -6.213 1.00 0.00 N ATOM 123 CA TYR A 10 -13.836 6.252 -5.868 1.00 0.00 C ATOM 124 C TYR A 10 -12.460 5.670 -5.575 1.00 0.00 C ATOM 125 O TYR A 10 -12.318 4.870 -4.647 1.00 0.00 O ATOM 126 CB TYR A 10 -14.468 7.006 -4.694 1.00 0.00 C ATOM 127 CG TYR A 10 -15.823 7.609 -5.040 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.009 6.842 -4.980 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.887 8.940 -5.490 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.233 7.396 -5.391 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.110 9.495 -5.898 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.295 8.733 -5.833 1.00 0.00 C ATOM 133 OH TYR A 10 -19.491 9.282 -6.179 1.00 0.00 O ATOM 0 H TYR A 10 -14.623 4.382 -5.529 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.729 6.987 -6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.583 6.325 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.794 7.800 -4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.974 5.826 -4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.989 9.539 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.130 6.795 -5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.144 10.511 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.355 10.211 -6.460 1.00 0.00 H new ATOM 143 N PHE A 11 -11.484 5.982 -6.429 1.00 0.00 N ATOM 144 CA PHE A 11 -10.113 5.489 -6.358 1.00 0.00 C ATOM 145 C PHE A 11 -9.163 6.605 -6.806 1.00 0.00 C ATOM 146 O PHE A 11 -8.576 6.557 -7.889 1.00 0.00 O ATOM 147 CB PHE A 11 -9.947 4.171 -7.146 1.00 0.00 C ATOM 148 CG PHE A 11 -10.819 3.988 -8.381 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.557 4.690 -9.573 1.00 0.00 C ATOM 150 CD2 PHE A 11 -11.896 3.081 -8.343 1.00 0.00 C ATOM 151 CE1 PHE A 11 -11.365 4.494 -10.706 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.680 2.855 -9.489 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.428 3.577 -10.666 1.00 0.00 C ATOM 0 H PHE A 11 -11.636 6.610 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.856 5.232 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.904 4.089 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.145 3.343 -6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.730 5.383 -9.617 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.122 2.555 -7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.168 5.050 -11.610 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.476 2.126 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.049 3.428 -11.537 1.00 0.00 H new ATOM 163 N SER A 12 -9.062 7.654 -5.996 1.00 0.00 N ATOM 164 CA SER A 12 -8.245 8.825 -6.279 1.00 0.00 C ATOM 165 C SER A 12 -7.855 9.484 -4.953 1.00 0.00 C ATOM 166 O SER A 12 -8.388 9.127 -3.902 1.00 0.00 O ATOM 167 CB SER A 12 -9.043 9.767 -7.204 1.00 0.00 C ATOM 168 OG SER A 12 -10.283 10.149 -6.629 1.00 0.00 O ATOM 0 H SER A 12 -9.557 7.713 -5.106 1.00 0.00 H new ATOM 0 HA SER A 12 -7.322 8.560 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.450 10.658 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.223 9.272 -8.158 1.00 0.00 H new ATOM 0 HG SER A 12 -10.138 10.882 -5.995 1.00 0.00 H new ATOM 174 N TYR A 13 -6.989 10.492 -4.991 1.00 0.00 N ATOM 175 CA TYR A 13 -7.017 11.571 -4.016 1.00 0.00 C ATOM 176 C TYR A 13 -8.335 12.332 -4.166 1.00 0.00 C ATOM 177 O TYR A 13 -9.101 12.091 -5.104 1.00 0.00 O ATOM 178 CB TYR A 13 -5.795 12.477 -4.205 1.00 0.00 C ATOM 179 CG TYR A 13 -4.565 11.876 -3.559 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.314 12.154 -2.206 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.756 10.947 -4.247 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.322 11.447 -1.517 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.735 10.257 -3.565 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.555 10.474 -2.178 1.00 0.00 C ATOM 185 OH TYR A 13 -1.680 9.742 -1.444 1.00 0.00 O ATOM 0 H TYR A 13 -6.255 10.582 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.965 11.176 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.613 12.630 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.995 13.457 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.887 12.914 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.920 10.765 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.145 11.651 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.095 9.568 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.216 9.105 -2.027 1.00 0.00 H new ATOM 195 N ALA A 14 -8.634 13.227 -3.229 1.00 0.00 N ATOM 196 CA ALA A 14 -9.775 14.121 -3.378 1.00 0.00 C ATOM 197 C ALA A 14 -9.415 15.355 -4.201 1.00 0.00 C ATOM 198 O ALA A 14 -10.300 15.987 -4.772 1.00 0.00 O ATOM 199 CB ALA A 14 -10.290 14.538 -2.001 1.00 0.00 C ATOM 0 H ALA A 14 -8.106 13.351 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.559 13.583 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.143 15.206 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.597 13.653 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.498 15.053 -1.457 1.00 0.00 H new ATOM 205 N ASP A 15 -8.130 15.707 -4.250 1.00 0.00 N ATOM 206 CA ASP A 15 -7.656 16.994 -4.748 1.00 0.00 C ATOM 207 C ASP A 15 -6.273 16.836 -5.390 1.00 0.00 C ATOM 208 O ASP A 15 -5.414 17.720 -5.303 1.00 0.00 O ATOM 209 CB ASP A 15 -7.672 17.986 -3.577 1.00 0.00 C ATOM 210 CG ASP A 15 -7.513 19.441 -4.005 1.00 0.00 C ATOM 211 OD1 ASP A 15 -8.181 19.878 -4.966 1.00 0.00 O ATOM 212 OD2 ASP A 15 -6.802 20.191 -3.298 1.00 0.00 O ATOM 0 H ASP A 15 -7.377 15.093 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.305 17.382 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.610 17.877 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.870 17.730 -2.885 1.00 0.00 H new ATOM 217 N GLY A 16 -6.004 15.660 -5.979 1.00 0.00 N ATOM 218 CA GLY A 16 -4.645 15.336 -6.403 1.00 0.00 C ATOM 219 C GLY A 16 -4.449 14.190 -7.393 1.00 0.00 C ATOM 220 O GLY A 16 -3.297 13.902 -7.728 1.00 0.00 O ATOM 0 H GLY A 16 -6.697 14.936 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.211 16.234 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.064 15.107 -5.510 1.00 0.00 H new ATOM 224 N GLY A 17 -5.507 13.555 -7.896 1.00 0.00 N ATOM 225 CA GLY A 17 -5.378 12.543 -8.937 1.00 0.00 C ATOM 226 C GLY A 17 -5.099 11.185 -8.313 1.00 0.00 C ATOM 227 O GLY A 17 -5.893 10.701 -7.515 1.00 0.00 O ATOM 0 H GLY A 17 -6.467 13.727 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.293 12.499 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.571 12.812 -9.618 1.00 0.00 H new ATOM 231 N THR A 18 -4.003 10.529 -8.683 1.00 0.00 N ATOM 232 CA THR A 18 -3.756 9.123 -8.359 1.00 0.00 C ATOM 233 C THR A 18 -2.320 8.895 -7.877 1.00 0.00 C ATOM 234 O THR A 18 -1.766 7.802 -8.011 1.00 0.00 O ATOM 235 CB THR A 18 -4.161 8.242 -9.553 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.677 8.751 -10.786 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.685 8.129 -9.678 1.00 0.00 C ATOM 0 H THR A 18 -3.252 10.961 -9.222 1.00 0.00 H new ATOM 0 HA THR A 18 -4.380 8.828 -7.516 1.00 0.00 H new ATOM 0 HB THR A 18 -3.718 7.266 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.956 8.160 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.934 7.499 -10.532 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.093 7.686 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.113 9.121 -9.822 1.00 0.00 H new ATOM 245 N SER A 19 -1.685 9.926 -7.329 1.00 0.00 N ATOM 246 CA SER A 19 -0.368 9.850 -6.722 1.00 0.00 C ATOM 247 C SER A 19 -0.231 11.063 -5.809 1.00 0.00 C ATOM 248 O SER A 19 -0.933 12.057 -6.008 1.00 0.00 O ATOM 249 CB SER A 19 0.665 9.853 -7.864 1.00 0.00 C ATOM 250 OG SER A 19 2.015 9.991 -7.459 1.00 0.00 O ATOM 0 H SER A 19 -2.087 10.863 -7.296 1.00 0.00 H new ATOM 0 HA SER A 19 -0.213 8.949 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.564 8.924 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.423 10.666 -8.548 1.00 0.00 H new ATOM 0 HG SER A 19 2.596 9.981 -8.248 1.00 0.00 H new ATOM 256 N HIS A 20 0.740 11.029 -4.904 1.00 0.00 N ATOM 257 CA HIS A 20 1.259 12.203 -4.234 1.00 0.00 C ATOM 258 C HIS A 20 2.777 12.227 -4.424 1.00 0.00 C ATOM 259 O HIS A 20 3.401 11.182 -4.656 1.00 0.00 O ATOM 260 CB HIS A 20 0.818 12.211 -2.760 1.00 0.00 C ATOM 261 CG HIS A 20 0.079 13.477 -2.428 1.00 0.00 C ATOM 262 ND1 HIS A 20 -1.287 13.674 -2.419 1.00 0.00 N ATOM 263 CD2 HIS A 20 0.669 14.691 -2.252 1.00 0.00 C ATOM 264 CE1 HIS A 20 -1.505 14.983 -2.226 1.00 0.00 C ATOM 265 NE2 HIS A 20 -0.337 15.652 -2.144 1.00 0.00 N ATOM 0 H HIS A 20 1.194 10.163 -4.613 1.00 0.00 H new ATOM 0 HA HIS A 20 0.856 13.120 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.179 11.350 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.691 12.115 -2.115 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.001 12.955 -2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.732 14.878 -2.204 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.481 15.438 -2.147 1.00 0.00 H new ATOM 273 N THR A 21 3.349 13.427 -4.344 1.00 0.00 N ATOM 274 CA THR A 21 4.778 13.676 -4.413 1.00 0.00 C ATOM 275 C THR A 21 5.048 14.810 -3.416 1.00 0.00 C ATOM 276 O THR A 21 4.364 15.838 -3.462 1.00 0.00 O ATOM 277 CB THR A 21 5.178 14.052 -5.858 1.00 0.00 C ATOM 278 OG1 THR A 21 4.548 13.216 -6.813 1.00 0.00 O ATOM 279 CG2 THR A 21 6.678 13.932 -6.120 1.00 0.00 C ATOM 0 H THR A 21 2.805 14.281 -4.225 1.00 0.00 H new ATOM 0 HA THR A 21 5.372 12.799 -4.156 1.00 0.00 H new ATOM 0 HB THR A 21 4.861 15.090 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.823 13.484 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.890 14.210 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.219 14.596 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.996 12.904 -5.949 1.00 0.00 H new ATOM 287 N GLU A 22 6.000 14.644 -2.497 1.00 0.00 N ATOM 288 CA GLU A 22 6.534 15.718 -1.656 1.00 0.00 C ATOM 289 C GLU A 22 8.022 15.822 -1.976 1.00 0.00 C ATOM 290 O GLU A 22 8.658 14.803 -2.257 1.00 0.00 O ATOM 291 CB GLU A 22 6.305 15.397 -0.164 1.00 0.00 C ATOM 292 CG GLU A 22 6.426 16.594 0.802 1.00 0.00 C ATOM 293 CD GLU A 22 5.150 17.447 0.856 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.787 18.050 -0.189 1.00 0.00 O ATOM 295 OE2 GLU A 22 4.448 17.445 1.887 1.00 0.00 O ATOM 0 H GLU A 22 6.432 13.739 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 22 6.032 16.665 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.312 14.962 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.022 14.634 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.654 16.226 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.263 17.220 0.494 1.00 0.00 H new ATOM 302 N TYR A 23 8.585 17.023 -1.917 1.00 0.00 N ATOM 303 CA TYR A 23 9.996 17.289 -2.140 1.00 0.00 C ATOM 304 C TYR A 23 10.570 17.969 -0.892 1.00 0.00 C ATOM 305 O TYR A 23 10.941 19.144 -0.964 1.00 0.00 O ATOM 306 CB TYR A 23 10.147 18.136 -3.408 1.00 0.00 C ATOM 307 CG TYR A 23 9.722 17.455 -4.690 1.00 0.00 C ATOM 308 CD1 TYR A 23 10.659 16.688 -5.402 1.00 0.00 C ATOM 309 CD2 TYR A 23 8.413 17.604 -5.192 1.00 0.00 C ATOM 310 CE1 TYR A 23 10.307 16.085 -6.621 1.00 0.00 C ATOM 311 CE2 TYR A 23 8.050 17.009 -6.417 1.00 0.00 C ATOM 312 CZ TYR A 23 9.003 16.253 -7.144 1.00 0.00 C ATOM 313 OH TYR A 23 8.661 15.676 -8.332 1.00 0.00 O ATOM 0 H TYR A 23 8.051 17.866 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 23 10.559 16.369 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.562 19.048 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.190 18.436 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.657 16.561 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.686 18.176 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.032 15.493 -7.159 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.048 17.129 -6.801 1.00 0.00 H new ATOM 0 HH TYR A 23 7.728 15.891 -8.544 1.00 0.00 H new ATOM 323 N PRO A 24 10.621 17.274 0.260 1.00 0.00 N ATOM 324 CA PRO A 24 11.184 17.822 1.488 1.00 0.00 C ATOM 325 C PRO A 24 12.677 18.132 1.329 1.00 0.00 C ATOM 326 O PRO A 24 13.299 17.764 0.328 1.00 0.00 O ATOM 327 CB PRO A 24 10.907 16.776 2.570 1.00 0.00 C ATOM 328 CG PRO A 24 10.777 15.466 1.804 1.00 0.00 C ATOM 329 CD PRO A 24 10.198 15.897 0.468 1.00 0.00 C ATOM 0 HA PRO A 24 10.731 18.777 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.717 16.732 3.298 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.995 17.006 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.742 14.973 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.122 14.763 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.558 15.255 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.111 15.822 0.474 1.00 0.00 H new ATOM 337 N ASP A 25 13.251 18.840 2.302 1.00 0.00 N ATOM 338 CA ASP A 25 14.658 19.225 2.295 1.00 0.00 C ATOM 339 C ASP A 25 15.052 19.515 3.737 1.00 0.00 C ATOM 340 O ASP A 25 14.215 19.323 4.624 1.00 0.00 O ATOM 341 CB ASP A 25 14.925 20.427 1.367 1.00 0.00 C ATOM 342 CG ASP A 25 16.303 20.285 0.717 1.00 0.00 C ATOM 343 OD1 ASP A 25 17.315 20.684 1.343 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.392 19.712 -0.395 1.00 0.00 O ATOM 0 H ASP A 25 12.744 19.165 3.125 1.00 0.00 H new ATOM 0 HA ASP A 25 15.268 18.416 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.154 20.483 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.875 21.355 1.936 1.00 0.00 H new ATOM 349 N ASP A 26 16.283 19.960 3.990 1.00 0.00 N ATOM 350 CA ASP A 26 16.807 20.462 5.270 1.00 0.00 C ATOM 351 C ASP A 26 16.641 19.477 6.441 1.00 0.00 C ATOM 352 O ASP A 26 17.583 18.783 6.810 1.00 0.00 O ATOM 353 CB ASP A 26 16.239 21.867 5.548 1.00 0.00 C ATOM 354 CG ASP A 26 16.869 22.546 6.765 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.072 22.346 7.043 1.00 0.00 O ATOM 356 OD2 ASP A 26 16.197 23.407 7.379 1.00 0.00 O ATOM 0 H ASP A 26 16.993 19.983 3.258 1.00 0.00 H new ATOM 0 HA ASP A 26 17.889 20.552 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.395 22.494 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.162 21.792 5.700 1.00 0.00 H new ATOM 361 N SER A 27 15.430 19.398 6.996 1.00 0.00 N ATOM 362 CA SER A 27 14.891 18.279 7.742 1.00 0.00 C ATOM 363 C SER A 27 13.377 18.404 7.569 1.00 0.00 C ATOM 364 O SER A 27 12.794 19.370 8.078 1.00 0.00 O ATOM 365 CB SER A 27 15.351 18.372 9.207 1.00 0.00 C ATOM 366 OG SER A 27 14.594 17.566 10.097 1.00 0.00 O ATOM 0 H SER A 27 14.764 20.167 6.927 1.00 0.00 H new ATOM 0 HA SER A 27 15.232 17.303 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.399 18.079 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.291 19.411 9.532 1.00 0.00 H new ATOM 0 HG SER A 27 14.940 17.671 11.008 1.00 0.00 H new ATOM 372 N SER A 28 12.713 17.504 6.835 1.00 0.00 N ATOM 373 CA SER A 28 11.257 17.376 6.830 1.00 0.00 C ATOM 374 C SER A 28 10.810 15.926 6.563 1.00 0.00 C ATOM 375 O SER A 28 10.565 15.530 5.422 1.00 0.00 O ATOM 376 CB SER A 28 10.644 18.357 5.827 1.00 0.00 C ATOM 377 OG SER A 28 10.931 19.696 6.194 1.00 0.00 O ATOM 0 H SER A 28 13.181 16.837 6.221 1.00 0.00 H new ATOM 0 HA SER A 28 10.889 17.632 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.035 18.157 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.565 18.211 5.781 1.00 0.00 H new ATOM 0 HG SER A 28 11.338 19.711 7.086 1.00 0.00 H new ATOM 383 N ALA A 29 10.638 15.157 7.639 1.00 0.00 N ATOM 384 CA ALA A 29 10.019 13.831 7.661 1.00 0.00 C ATOM 385 C ALA A 29 8.980 13.783 8.792 1.00 0.00 C ATOM 386 O ALA A 29 8.768 14.791 9.477 1.00 0.00 O ATOM 387 CB ALA A 29 11.114 12.775 7.844 1.00 0.00 C ATOM 0 H ALA A 29 10.942 15.457 8.565 1.00 0.00 H new ATOM 0 HA ALA A 29 9.504 13.624 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.663 11.783 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.821 12.837 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.637 12.953 8.783 1.00 0.00 H new ATOM 393 N GLY A 30 8.257 12.671 8.967 1.00 0.00 N ATOM 394 CA GLY A 30 7.392 12.424 10.099 1.00 0.00 C ATOM 395 C GLY A 30 6.189 11.603 9.657 1.00 0.00 C ATOM 396 O GLY A 30 6.221 10.907 8.635 1.00 0.00 O ATOM 0 H GLY A 30 8.266 11.902 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.940 11.894 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.061 13.369 10.529 1.00 0.00 H new ATOM 400 N SER A 31 5.122 11.689 10.436 1.00 0.00 N ATOM 401 CA SER A 31 3.938 10.861 10.346 1.00 0.00 C ATOM 402 C SER A 31 2.700 11.734 10.192 1.00 0.00 C ATOM 403 O SER A 31 2.268 12.363 11.163 1.00 0.00 O ATOM 404 CB SER A 31 3.890 9.958 11.586 1.00 0.00 C ATOM 405 OG SER A 31 4.135 10.671 12.784 1.00 0.00 O ATOM 0 H SER A 31 5.059 12.376 11.187 1.00 0.00 H new ATOM 0 HA SER A 31 3.968 10.222 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.913 9.479 11.645 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.629 9.163 11.482 1.00 0.00 H new ATOM 0 HG SER A 31 3.627 11.509 12.775 1.00 0.00 H new ATOM 411 N PHE A 32 2.149 11.771 8.976 1.00 0.00 N ATOM 412 CA PHE A 32 0.955 12.566 8.646 1.00 0.00 C ATOM 413 C PHE A 32 -0.189 11.733 8.041 1.00 0.00 C ATOM 414 O PHE A 32 -0.164 10.499 8.067 1.00 0.00 O ATOM 415 CB PHE A 32 1.346 13.792 7.802 1.00 0.00 C ATOM 416 CG PHE A 32 2.063 13.519 6.492 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.357 13.122 5.340 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.449 13.742 6.406 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.036 12.936 4.124 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.109 13.634 5.172 1.00 0.00 C ATOM 421 CZ PHE A 32 3.405 13.221 4.033 1.00 0.00 C ATOM 0 H PHE A 32 2.520 11.247 8.183 1.00 0.00 H new ATOM 0 HA PHE A 32 0.535 12.937 9.581 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.440 14.357 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.982 14.435 8.410 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.290 12.960 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.008 13.998 7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.502 12.573 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.161 13.869 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.916 13.123 3.087 1.00 0.00 H new ATOM 431 N ILE A 33 -1.235 12.397 7.544 1.00 0.00 N ATOM 432 CA ILE A 33 -2.400 11.822 6.873 1.00 0.00 C ATOM 433 C ILE A 33 -2.653 12.659 5.600 1.00 0.00 C ATOM 434 O ILE A 33 -2.131 13.770 5.486 1.00 0.00 O ATOM 435 CB ILE A 33 -3.602 11.776 7.856 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.215 11.075 9.188 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.806 11.102 7.176 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.346 10.844 10.199 1.00 0.00 C ATOM 0 H ILE A 33 -1.293 13.414 7.604 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.239 10.788 6.568 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.887 12.796 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.771 10.109 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.441 11.670 9.673 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.646 11.072 7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.088 11.670 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.538 10.086 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.947 10.348 11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.780 11.802 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.115 10.217 9.748 1.00 0.00 H new ATOM 450 N LEU A 34 -3.397 12.125 4.620 1.00 0.00 N ATOM 451 CA LEU A 34 -3.764 12.806 3.374 1.00 0.00 C ATOM 452 C LEU A 34 -5.231 12.519 3.012 1.00 0.00 C ATOM 453 O LEU A 34 -5.804 11.534 3.490 1.00 0.00 O ATOM 454 CB LEU A 34 -2.870 12.315 2.225 1.00 0.00 C ATOM 455 CG LEU A 34 -1.358 12.577 2.344 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.623 11.705 1.319 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.025 14.046 2.092 1.00 0.00 C ATOM 0 H LEU A 34 -3.770 11.178 4.677 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.630 13.878 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.018 11.240 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.221 12.779 1.303 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.041 12.329 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.450 11.882 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.832 10.654 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.964 11.958 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.051 14.196 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.346 14.325 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.542 14.667 2.824 1.00 0.00 H new ATOM 469 N ASP A 35 -5.805 13.313 2.101 1.00 0.00 N ATOM 470 CA ASP A 35 -7.176 13.196 1.585 1.00 0.00 C ATOM 471 C ASP A 35 -7.270 12.174 0.438 1.00 0.00 C ATOM 472 O ASP A 35 -7.159 12.543 -0.738 1.00 0.00 O ATOM 473 CB ASP A 35 -7.671 14.555 1.053 1.00 0.00 C ATOM 474 CG ASP A 35 -8.154 15.529 2.115 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.258 15.295 2.664 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.509 16.582 2.293 1.00 0.00 O ATOM 0 H ASP A 35 -5.301 14.095 1.682 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.796 12.861 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.862 15.024 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.484 14.377 0.349 1.00 0.00 H new ATOM 481 N ILE A 36 -7.510 10.894 0.739 1.00 0.00 N ATOM 482 CA ILE A 36 -7.782 9.876 -0.281 1.00 0.00 C ATOM 483 C ILE A 36 -9.305 9.705 -0.358 1.00 0.00 C ATOM 484 O ILE A 36 -10.023 9.939 0.619 1.00 0.00 O ATOM 485 CB ILE A 36 -6.983 8.568 -0.018 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.459 8.757 -0.203 1.00 0.00 C ATOM 487 CG2 ILE A 36 -7.376 7.422 -0.968 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.768 9.510 0.934 1.00 0.00 C ATOM 0 H ILE A 36 -7.521 10.535 1.694 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.428 10.188 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.229 8.319 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.995 7.776 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.283 9.293 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.784 6.537 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.435 7.194 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.188 7.723 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.703 9.595 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.201 10.506 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.907 8.966 1.868 1.00 0.00 H new ATOM 500 N THR A 37 -9.796 9.299 -1.526 1.00 0.00 N ATOM 501 CA THR A 37 -11.174 8.922 -1.791 1.00 0.00 C ATOM 502 C THR A 37 -11.164 7.425 -2.124 1.00 0.00 C ATOM 503 O THR A 37 -10.465 7.000 -3.050 1.00 0.00 O ATOM 504 CB THR A 37 -11.765 9.762 -2.940 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.229 11.069 -3.020 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.270 9.918 -2.735 1.00 0.00 C ATOM 0 H THR A 37 -9.208 9.221 -2.356 1.00 0.00 H new ATOM 0 HA THR A 37 -11.808 9.112 -0.925 1.00 0.00 H new ATOM 0 HB THR A 37 -11.516 9.227 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.643 11.547 -3.768 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.688 10.512 -3.548 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.740 8.934 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.458 10.419 -1.785 1.00 0.00 H new ATOM 514 N SER A 38 -11.880 6.617 -1.344 1.00 0.00 N ATOM 515 CA SER A 38 -11.673 5.176 -1.266 1.00 0.00 C ATOM 516 C SER A 38 -12.969 4.491 -0.817 1.00 0.00 C ATOM 517 O SER A 38 -13.080 4.021 0.320 1.00 0.00 O ATOM 518 CB SER A 38 -10.463 4.904 -0.344 1.00 0.00 C ATOM 519 OG SER A 38 -10.308 5.859 0.701 1.00 0.00 O ATOM 0 H SER A 38 -12.631 6.952 -0.740 1.00 0.00 H new ATOM 0 HA SER A 38 -11.435 4.750 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.570 3.912 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.555 4.889 -0.947 1.00 0.00 H new ATOM 0 HG SER A 38 -9.652 5.530 1.350 1.00 0.00 H new ATOM 525 N TYR A 39 -13.983 4.467 -1.690 1.00 0.00 N ATOM 526 CA TYR A 39 -15.281 3.855 -1.407 1.00 0.00 C ATOM 527 C TYR A 39 -16.043 3.539 -2.703 1.00 0.00 C ATOM 528 O TYR A 39 -15.583 3.881 -3.795 1.00 0.00 O ATOM 529 CB TYR A 39 -16.102 4.775 -0.472 1.00 0.00 C ATOM 530 CG TYR A 39 -16.694 6.028 -1.092 1.00 0.00 C ATOM 531 CD1 TYR A 39 -15.897 7.166 -1.313 1.00 0.00 C ATOM 532 CD2 TYR A 39 -18.067 6.078 -1.390 1.00 0.00 C ATOM 533 CE1 TYR A 39 -16.462 8.345 -1.832 1.00 0.00 C ATOM 534 CE2 TYR A 39 -18.636 7.254 -1.906 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.839 8.396 -2.126 1.00 0.00 C ATOM 536 OH TYR A 39 -18.401 9.525 -2.631 1.00 0.00 O ATOM 0 H TYR A 39 -13.922 4.877 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.117 2.905 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.917 4.188 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.461 5.076 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.842 7.134 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -18.686 5.209 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -15.840 9.211 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -19.691 7.284 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.419 9.472 -3.609 1.00 0.00 H new ATOM 546 N LYS A 40 -17.222 2.916 -2.595 1.00 0.00 N ATOM 547 CA LYS A 40 -18.194 2.739 -3.670 1.00 0.00 C ATOM 548 C LYS A 40 -19.569 3.200 -3.200 1.00 0.00 C ATOM 549 O LYS A 40 -19.872 3.152 -2.008 1.00 0.00 O ATOM 550 CB LYS A 40 -18.172 1.297 -4.172 1.00 0.00 C ATOM 551 CG LYS A 40 -18.465 0.166 -3.180 1.00 0.00 C ATOM 552 CD LYS A 40 -19.951 -0.186 -3.068 1.00 0.00 C ATOM 553 CE LYS A 40 -20.025 -1.570 -2.414 1.00 0.00 C ATOM 554 NZ LYS A 40 -21.385 -1.961 -2.005 1.00 0.00 N ATOM 0 H LYS A 40 -17.535 2.505 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.929 3.361 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.895 1.219 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.188 1.112 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.912 -0.723 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.094 0.453 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.480 0.555 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.422 -0.196 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.638 -2.313 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.374 -1.584 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.359 -2.906 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.751 -1.274 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.006 -1.980 -2.839 1.00 0.00 H new ATOM 568 N LYS A 41 -20.407 3.654 -4.128 1.00 0.00 N ATOM 569 CA LYS A 41 -21.658 4.372 -3.882 1.00 0.00 C ATOM 570 C LYS A 41 -22.764 3.746 -4.710 1.00 0.00 C ATOM 571 O LYS A 41 -22.560 3.503 -5.900 1.00 0.00 O ATOM 572 CB LYS A 41 -21.440 5.849 -4.245 1.00 0.00 C ATOM 573 CG LYS A 41 -22.542 6.797 -3.748 1.00 0.00 C ATOM 574 CD LYS A 41 -22.074 8.268 -3.747 1.00 0.00 C ATOM 575 CE LYS A 41 -22.676 9.039 -2.563 1.00 0.00 C ATOM 576 NZ LYS A 41 -24.004 9.607 -2.857 1.00 0.00 N ATOM 0 H LYS A 41 -20.224 3.525 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.953 4.308 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.485 6.174 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.365 5.936 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.422 6.696 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.841 6.510 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.986 8.307 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.365 8.746 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -22.755 8.371 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.998 9.844 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -24.357 10.115 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.930 10.267 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.663 8.840 -3.101 1.00 0.00 H new ATOM 590 N THR A 42 -23.895 3.453 -4.071 1.00 0.00 N ATOM 591 CA THR A 42 -25.028 2.743 -4.652 1.00 0.00 C ATOM 592 C THR A 42 -26.151 2.665 -3.609 1.00 0.00 C ATOM 593 O THR A 42 -25.896 2.470 -2.412 1.00 0.00 O ATOM 594 CB THR A 42 -24.594 1.341 -5.146 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.719 0.551 -5.473 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.720 0.554 -4.159 1.00 0.00 C ATOM 0 H THR A 42 -24.051 3.714 -3.098 1.00 0.00 H new ATOM 0 HA THR A 42 -25.402 3.281 -5.523 1.00 0.00 H new ATOM 0 HB THR A 42 -23.983 1.541 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.421 -0.329 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.465 -0.414 -4.590 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.806 1.113 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.267 0.404 -3.228 1.00 0.00 H new ATOM 604 N GLY A 43 -27.399 2.750 -4.074 1.00 0.00 N ATOM 605 CA GLY A 43 -28.603 2.390 -3.351 1.00 0.00 C ATOM 606 C GLY A 43 -28.891 3.327 -2.190 1.00 0.00 C ATOM 607 O GLY A 43 -29.653 4.284 -2.336 1.00 0.00 O ATOM 0 H GLY A 43 -27.599 3.090 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.450 2.397 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.506 1.371 -2.975 1.00 0.00 H new ATOM 611 N ASN A 44 -28.342 3.011 -1.020 1.00 0.00 N ATOM 612 CA ASN A 44 -28.429 3.805 0.204 1.00 0.00 C ATOM 613 C ASN A 44 -27.289 3.400 1.150 1.00 0.00 C ATOM 614 O ASN A 44 -27.477 3.330 2.364 1.00 0.00 O ATOM 615 CB ASN A 44 -29.815 3.632 0.864 1.00 0.00 C ATOM 616 CG ASN A 44 -30.053 4.603 2.025 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.325 5.572 2.214 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.081 4.380 2.823 1.00 0.00 N ATOM 0 H ASN A 44 -27.800 2.156 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.319 4.863 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.590 3.778 0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.912 2.609 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.271 5.014 3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.685 3.574 2.664 1.00 0.00 H new ATOM 625 N SER A 45 -26.119 3.027 0.619 1.00 0.00 N ATOM 626 CA SER A 45 -24.946 2.710 1.435 1.00 0.00 C ATOM 627 C SER A 45 -23.677 3.143 0.698 1.00 0.00 C ATOM 628 O SER A 45 -23.658 3.175 -0.539 1.00 0.00 O ATOM 629 CB SER A 45 -24.894 1.204 1.750 1.00 0.00 C ATOM 630 OG SER A 45 -26.152 0.640 2.089 1.00 0.00 O ATOM 0 H SER A 45 -25.961 2.937 -0.385 1.00 0.00 H new ATOM 0 HA SER A 45 -25.016 3.251 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.492 0.676 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.200 1.040 2.574 1.00 0.00 H new ATOM 0 HG SER A 45 -26.043 -0.316 2.274 1.00 0.00 H new ATOM 636 N THR A 46 -22.593 3.403 1.424 1.00 0.00 N ATOM 637 CA THR A 46 -21.319 3.838 0.859 1.00 0.00 C ATOM 638 C THR A 46 -20.171 3.081 1.517 1.00 0.00 C ATOM 639 O THR A 46 -19.508 3.560 2.434 1.00 0.00 O ATOM 640 CB THR A 46 -21.147 5.362 0.942 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.877 5.917 2.020 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.663 6.027 -0.330 1.00 0.00 C ATOM 0 H THR A 46 -22.575 3.316 2.440 1.00 0.00 H new ATOM 0 HA THR A 46 -21.310 3.597 -0.204 1.00 0.00 H new ATOM 0 HB THR A 46 -20.081 5.543 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.742 6.887 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.534 7.107 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 46 -21.104 5.654 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.721 5.796 -0.458 1.00 0.00 H new ATOM 650 N LYS A 47 -19.960 1.864 1.030 1.00 0.00 N ATOM 651 CA LYS A 47 -18.955 0.945 1.543 1.00 0.00 C ATOM 652 C LYS A 47 -17.577 1.528 1.232 1.00 0.00 C ATOM 653 O LYS A 47 -17.283 1.733 0.051 1.00 0.00 O ATOM 654 CB LYS A 47 -19.159 -0.429 0.886 1.00 0.00 C ATOM 655 CG LYS A 47 -18.450 -1.583 1.609 1.00 0.00 C ATOM 656 CD LYS A 47 -19.152 -2.055 2.894 1.00 0.00 C ATOM 657 CE LYS A 47 -20.459 -2.786 2.565 1.00 0.00 C ATOM 658 NZ LYS A 47 -21.188 -3.243 3.766 1.00 0.00 N ATOM 0 H LYS A 47 -20.495 1.482 0.250 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.041 0.815 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.227 -0.644 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.801 -0.384 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.366 -2.427 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.435 -1.271 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.491 -2.717 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.361 -1.198 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.103 -2.123 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.238 -3.646 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.061 -3.729 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.589 -3.899 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.428 -2.423 4.360 1.00 0.00 H new ATOM 672 N ALA A 48 -16.765 1.824 2.248 1.00 0.00 N ATOM 673 CA ALA A 48 -15.351 2.145 2.054 1.00 0.00 C ATOM 674 C ALA A 48 -14.602 0.892 1.598 1.00 0.00 C ATOM 675 O ALA A 48 -15.036 -0.218 1.914 1.00 0.00 O ATOM 676 CB ALA A 48 -14.734 2.685 3.346 1.00 0.00 C ATOM 0 H ALA A 48 -17.067 1.848 3.222 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.268 2.917 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.682 2.917 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.261 3.589 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.819 1.934 4.131 1.00 0.00 H new ATOM 682 N LEU A 49 -13.474 1.071 0.905 1.00 0.00 N ATOM 683 CA LEU A 49 -12.566 0.011 0.502 1.00 0.00 C ATOM 684 C LEU A 49 -11.181 0.307 1.064 1.00 0.00 C ATOM 685 O LEU A 49 -10.650 1.397 0.842 1.00 0.00 O ATOM 686 CB LEU A 49 -12.471 -0.057 -1.027 1.00 0.00 C ATOM 687 CG LEU A 49 -13.662 -0.641 -1.796 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.265 -1.892 -1.152 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.758 0.381 -2.092 1.00 0.00 C ATOM 0 H LEU A 49 -13.163 1.994 0.602 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.940 -0.940 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.298 0.954 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.589 -0.644 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.225 -0.945 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.102 -2.244 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.506 -2.672 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.617 -1.651 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.568 -0.102 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.142 0.785 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.347 1.191 -2.695 1.00 0.00 H new ATOM 701 N SER A 50 -10.596 -0.673 1.749 1.00 0.00 N ATOM 702 CA SER A 50 -9.236 -0.618 2.262 1.00 0.00 C ATOM 703 C SER A 50 -8.219 -0.888 1.140 1.00 0.00 C ATOM 704 O SER A 50 -8.577 -1.119 -0.021 1.00 0.00 O ATOM 705 CB SER A 50 -9.101 -1.613 3.424 1.00 0.00 C ATOM 706 OG SER A 50 -8.068 -1.216 4.305 1.00 0.00 O ATOM 0 H SER A 50 -11.071 -1.549 1.966 1.00 0.00 H new ATOM 0 HA SER A 50 -9.020 0.381 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.044 -1.676 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.890 -2.609 3.034 1.00 0.00 H new ATOM 0 HG SER A 50 -7.998 -1.861 5.039 1.00 0.00 H new ATOM 712 N TRP A 51 -6.936 -0.834 1.492 1.00 0.00 N ATOM 713 CA TRP A 51 -5.783 -1.018 0.621 1.00 0.00 C ATOM 714 C TRP A 51 -4.654 -1.670 1.415 1.00 0.00 C ATOM 715 O TRP A 51 -4.893 -2.233 2.487 1.00 0.00 O ATOM 716 CB TRP A 51 -5.376 0.335 0.002 1.00 0.00 C ATOM 717 CG TRP A 51 -5.096 1.468 0.951 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.874 1.861 1.378 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.039 2.424 1.529 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.992 2.998 2.151 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.303 3.412 2.249 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.443 2.580 1.484 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.925 4.518 2.852 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.076 3.677 2.096 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.321 4.651 2.773 1.00 0.00 C ATOM 0 H TRP A 51 -6.659 -0.648 2.456 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.028 -1.684 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.485 0.175 -0.605 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.170 0.650 -0.675 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.945 1.360 1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.206 3.473 2.595 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.041 1.843 0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.335 5.259 3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.151 3.772 2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.812 5.497 3.230 1.00 0.00 H new ATOM 736 N ASN A 52 -3.447 -1.687 0.859 1.00 0.00 N ATOM 737 CA ASN A 52 -2.218 -2.129 1.502 1.00 0.00 C ATOM 738 C ASN A 52 -1.111 -1.171 1.080 1.00 0.00 C ATOM 739 O ASN A 52 -1.372 -0.241 0.321 1.00 0.00 O ATOM 740 CB ASN A 52 -1.882 -3.570 1.095 1.00 0.00 C ATOM 741 CG ASN A 52 -1.258 -4.310 2.260 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.164 -3.991 2.715 1.00 0.00 O ATOM 743 ND2 ASN A 52 -1.949 -5.309 2.768 1.00 0.00 N ATOM 0 H ASN A 52 -3.294 -1.377 -0.101 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.330 -2.122 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.787 -4.084 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.196 -3.566 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.577 -5.837 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.856 -5.555 2.372 1.00 0.00 H new ATOM 750 N ALA A 53 0.123 -1.394 1.515 1.00 0.00 N ATOM 751 CA ALA A 53 1.305 -0.757 0.959 1.00 0.00 C ATOM 752 C ALA A 53 2.400 -1.814 0.855 1.00 0.00 C ATOM 753 O ALA A 53 2.371 -2.806 1.595 1.00 0.00 O ATOM 754 CB ALA A 53 1.737 0.411 1.852 1.00 0.00 C ATOM 0 H ALA A 53 0.332 -2.036 2.280 1.00 0.00 H new ATOM 0 HA ALA A 53 1.099 -0.350 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.623 0.884 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.930 1.141 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.965 0.040 2.851 1.00 0.00 H new ATOM 760 N SER A 54 3.363 -1.587 -0.036 1.00 0.00 N ATOM 761 CA SER A 54 4.631 -2.309 -0.073 1.00 0.00 C ATOM 762 C SER A 54 5.594 -1.599 -1.014 1.00 0.00 C ATOM 763 O SER A 54 5.162 -0.974 -1.983 1.00 0.00 O ATOM 764 CB SER A 54 4.442 -3.785 -0.469 1.00 0.00 C ATOM 765 OG SER A 54 3.270 -4.048 -1.233 1.00 0.00 O ATOM 0 H SER A 54 3.281 -0.881 -0.767 1.00 0.00 H new ATOM 0 HA SER A 54 5.055 -2.312 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.312 -4.109 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.412 -4.390 0.437 1.00 0.00 H new ATOM 0 HG SER A 54 3.225 -5.004 -1.444 1.00 0.00 H new ATOM 771 N GLY A 55 6.890 -1.714 -0.726 1.00 0.00 N ATOM 772 CA GLY A 55 7.976 -1.273 -1.577 1.00 0.00 C ATOM 773 C GLY A 55 9.209 -1.035 -0.716 1.00 0.00 C ATOM 774 O GLY A 55 9.848 -1.993 -0.278 1.00 0.00 O ATOM 0 H GLY A 55 7.217 -2.135 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.187 -2.023 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.698 -0.358 -2.099 1.00 0.00 H new ATOM 778 N ASP A 56 9.518 0.225 -0.422 1.00 0.00 N ATOM 779 CA ASP A 56 10.544 0.614 0.548 1.00 0.00 C ATOM 780 C ASP A 56 10.086 0.241 1.964 1.00 0.00 C ATOM 781 O ASP A 56 8.883 0.222 2.238 1.00 0.00 O ATOM 782 CB ASP A 56 10.771 2.130 0.472 1.00 0.00 C ATOM 783 CG ASP A 56 11.616 2.537 -0.733 1.00 0.00 C ATOM 784 OD1 ASP A 56 11.056 2.679 -1.841 1.00 0.00 O ATOM 785 OD2 ASP A 56 12.852 2.704 -0.584 1.00 0.00 O ATOM 0 H ASP A 56 9.054 1.022 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 56 11.472 0.091 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.807 2.636 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.261 2.467 1.385 1.00 0.00 H new ATOM 790 N SER A 57 11.028 -0.038 2.871 1.00 0.00 N ATOM 791 CA SER A 57 10.736 -0.389 4.259 1.00 0.00 C ATOM 792 C SER A 57 10.599 0.828 5.179 1.00 0.00 C ATOM 793 O SER A 57 9.763 0.788 6.078 1.00 0.00 O ATOM 794 CB SER A 57 11.808 -1.343 4.799 1.00 0.00 C ATOM 795 OG SER A 57 11.620 -2.629 4.233 1.00 0.00 O ATOM 0 H SER A 57 12.025 -0.025 2.656 1.00 0.00 H new ATOM 0 HA SER A 57 9.765 -0.884 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.802 -0.967 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.747 -1.399 5.886 1.00 0.00 H new ATOM 0 HG SER A 57 12.305 -3.240 4.575 1.00 0.00 H new ATOM 801 N TRP A 58 11.355 1.907 4.952 1.00 0.00 N ATOM 802 CA TRP A 58 11.406 3.118 5.787 1.00 0.00 C ATOM 803 C TRP A 58 10.147 4.002 5.672 1.00 0.00 C ATOM 804 O TRP A 58 10.184 5.197 5.972 1.00 0.00 O ATOM 805 CB TRP A 58 12.689 3.896 5.438 1.00 0.00 C ATOM 806 CG TRP A 58 12.882 4.218 3.983 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.399 3.376 3.062 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.552 5.440 3.254 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.378 3.973 1.825 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.918 5.260 1.891 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.999 6.691 3.588 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.784 6.263 0.927 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.820 7.701 2.623 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.210 7.492 1.289 1.00 0.00 C ATOM 0 H TRP A 58 11.977 1.966 4.146 1.00 0.00 H new ATOM 0 HA TRP A 58 11.428 2.811 6.833 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.690 4.830 6.001 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.547 3.317 5.780 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.772 2.384 3.267 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.670 3.513 0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.705 6.881 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.119 6.094 -0.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.379 8.644 2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.070 8.268 0.551 1.00 0.00 H new ATOM 825 N ILE A 59 9.038 3.431 5.203 1.00 0.00 N ATOM 826 CA ILE A 59 7.759 4.074 4.976 1.00 0.00 C ATOM 827 C ILE A 59 6.747 3.160 5.668 1.00 0.00 C ATOM 828 O ILE A 59 6.771 1.942 5.465 1.00 0.00 O ATOM 829 CB ILE A 59 7.502 4.240 3.458 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.681 4.964 2.757 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.189 5.007 3.228 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.490 5.194 1.256 1.00 0.00 C ATOM 0 H ILE A 59 9.016 2.441 4.958 1.00 0.00 H new ATOM 0 HA ILE A 59 7.700 5.085 5.378 1.00 0.00 H new ATOM 0 HB ILE A 59 7.418 3.246 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.837 5.928 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.589 4.381 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.016 5.119 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.362 4.454 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.257 5.992 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.364 5.706 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.367 4.235 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.603 5.806 1.092 1.00 0.00 H new ATOM 844 N HIS A 60 5.885 3.728 6.505 1.00 0.00 N ATOM 845 CA HIS A 60 4.836 3.039 7.238 1.00 0.00 C ATOM 846 C HIS A 60 3.509 3.257 6.513 1.00 0.00 C ATOM 847 O HIS A 60 3.373 4.139 5.659 1.00 0.00 O ATOM 848 CB HIS A 60 4.720 3.605 8.663 1.00 0.00 C ATOM 849 CG HIS A 60 5.890 3.346 9.581 1.00 0.00 C ATOM 850 ND1 HIS A 60 5.798 2.794 10.843 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.202 3.685 9.370 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.030 2.788 11.375 1.00 0.00 C ATOM 853 NE2 HIS A 60 7.921 3.293 10.505 1.00 0.00 N ATOM 0 H HIS A 60 5.902 4.729 6.698 1.00 0.00 H new ATOM 0 HA HIS A 60 5.076 1.977 7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.572 4.683 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.824 3.190 9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.606 4.165 8.491 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.272 2.428 12.364 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.928 3.375 10.645 1.00 0.00 H new ATOM 861 N VAL A 61 2.496 2.496 6.908 1.00 0.00 N ATOM 862 CA VAL A 61 1.107 2.712 6.567 1.00 0.00 C ATOM 863 C VAL A 61 0.303 2.383 7.821 1.00 0.00 C ATOM 864 O VAL A 61 0.717 1.545 8.626 1.00 0.00 O ATOM 865 CB VAL A 61 0.751 1.833 5.349 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.949 0.329 5.596 1.00 0.00 C ATOM 867 CG2 VAL A 61 -0.674 2.096 4.854 1.00 0.00 C ATOM 0 H VAL A 61 2.633 1.677 7.501 1.00 0.00 H new ATOM 0 HA VAL A 61 0.885 3.738 6.272 1.00 0.00 H new ATOM 0 HB VAL A 61 1.458 2.127 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.679 -0.226 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.993 0.135 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.315 0.010 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.885 1.458 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.383 1.877 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.770 3.141 4.561 1.00 0.00 H new ATOM 877 N ASN A 62 -0.853 3.018 7.997 1.00 0.00 N ATOM 878 CA ASN A 62 -1.857 2.623 8.970 1.00 0.00 C ATOM 879 C ASN A 62 -3.216 2.997 8.386 1.00 0.00 C ATOM 880 O ASN A 62 -3.864 3.937 8.842 1.00 0.00 O ATOM 881 CB ASN A 62 -1.540 3.265 10.340 1.00 0.00 C ATOM 882 CG ASN A 62 -1.356 2.200 11.402 1.00 0.00 C ATOM 883 OD1 ASN A 62 -2.055 2.189 12.411 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.411 1.305 11.200 1.00 0.00 N ATOM 0 H ASN A 62 -1.120 3.839 7.453 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.863 1.550 9.161 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.636 3.869 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.349 3.937 10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.243 0.575 11.893 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.153 1.341 10.351 1.00 0.00 H new ATOM 891 N GLY A 63 -3.631 2.301 7.326 1.00 0.00 N ATOM 892 CA GLY A 63 -4.821 2.642 6.555 1.00 0.00 C ATOM 893 C GLY A 63 -4.731 4.091 6.099 1.00 0.00 C ATOM 894 O GLY A 63 -3.791 4.453 5.384 1.00 0.00 O ATOM 0 H GLY A 63 -3.143 1.476 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.909 1.983 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.715 2.495 7.161 1.00 0.00 H new ATOM 898 N SER A 64 -5.668 4.920 6.547 1.00 0.00 N ATOM 899 CA SER A 64 -5.703 6.363 6.363 1.00 0.00 C ATOM 900 C SER A 64 -4.649 7.086 7.226 1.00 0.00 C ATOM 901 O SER A 64 -4.983 8.047 7.913 1.00 0.00 O ATOM 902 CB SER A 64 -7.149 6.824 6.638 1.00 0.00 C ATOM 903 OG SER A 64 -7.692 6.209 7.804 1.00 0.00 O ATOM 0 H SER A 64 -6.469 4.581 7.079 1.00 0.00 H new ATOM 0 HA SER A 64 -5.431 6.628 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.168 7.907 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.775 6.587 5.778 1.00 0.00 H new ATOM 0 HG SER A 64 -8.608 6.528 7.945 1.00 0.00 H new ATOM 909 N SER A 65 -3.392 6.631 7.213 1.00 0.00 N ATOM 910 CA SER A 65 -2.244 7.286 7.828 1.00 0.00 C ATOM 911 C SER A 65 -0.988 6.901 7.044 1.00 0.00 C ATOM 912 O SER A 65 -0.903 5.781 6.528 1.00 0.00 O ATOM 913 CB SER A 65 -2.083 6.839 9.283 1.00 0.00 C ATOM 914 OG SER A 65 -3.217 7.122 10.077 1.00 0.00 O ATOM 0 H SER A 65 -3.141 5.757 6.752 1.00 0.00 H new ATOM 0 HA SER A 65 -2.395 8.365 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.887 5.767 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.212 7.332 9.714 1.00 0.00 H new ATOM 0 HG SER A 65 -3.887 7.589 9.536 1.00 0.00 H new ATOM 920 N VAL A 66 -0.009 7.806 6.965 1.00 0.00 N ATOM 921 CA VAL A 66 1.191 7.663 6.149 1.00 0.00 C ATOM 922 C VAL A 66 2.375 8.297 6.879 1.00 0.00 C ATOM 923 O VAL A 66 2.276 9.429 7.354 1.00 0.00 O ATOM 924 CB VAL A 66 0.914 8.255 4.746 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.386 9.700 4.758 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.141 8.181 3.832 1.00 0.00 C ATOM 0 H VAL A 66 -0.034 8.684 7.484 1.00 0.00 H new ATOM 0 HA VAL A 66 1.457 6.617 5.996 1.00 0.00 H new ATOM 0 HB VAL A 66 0.120 7.621 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.219 10.035 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.553 9.740 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.117 10.351 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.897 8.608 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.962 8.742 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.439 7.140 3.706 1.00 0.00 H new ATOM 936 N SER A 67 3.495 7.586 6.987 1.00 0.00 N ATOM 937 CA SER A 67 4.677 8.092 7.677 1.00 0.00 C ATOM 938 C SER A 67 5.916 7.618 6.933 1.00 0.00 C ATOM 939 O SER A 67 5.875 6.550 6.316 1.00 0.00 O ATOM 940 CB SER A 67 4.683 7.603 9.132 1.00 0.00 C ATOM 941 OG SER A 67 3.374 7.641 9.699 1.00 0.00 O ATOM 0 H SER A 67 3.608 6.649 6.601 1.00 0.00 H new ATOM 0 HA SER A 67 4.668 9.182 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.070 6.585 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.356 8.224 9.724 1.00 0.00 H new ATOM 0 HG SER A 67 3.409 7.323 10.625 1.00 0.00 H new ATOM 947 N TYR A 68 7.012 8.366 7.018 1.00 0.00 N ATOM 948 CA TYR A 68 8.300 7.970 6.475 1.00 0.00 C ATOM 949 C TYR A 68 9.416 8.640 7.258 1.00 0.00 C ATOM 950 O TYR A 68 9.233 9.738 7.790 1.00 0.00 O ATOM 951 CB TYR A 68 8.397 8.328 4.988 1.00 0.00 C ATOM 952 CG TYR A 68 7.940 9.720 4.577 1.00 0.00 C ATOM 953 CD1 TYR A 68 8.795 10.835 4.679 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.670 9.873 3.992 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.401 12.084 4.157 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.278 11.105 3.451 1.00 0.00 C ATOM 957 CZ TYR A 68 7.149 12.216 3.508 1.00 0.00 C ATOM 958 OH TYR A 68 6.766 13.397 2.946 1.00 0.00 O ATOM 0 H TYR A 68 7.027 9.278 7.474 1.00 0.00 H new ATOM 0 HA TYR A 68 8.401 6.889 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.435 8.208 4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.811 7.600 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.757 10.733 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.991 9.034 3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.053 12.939 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.307 11.205 2.989 1.00 0.00 H new ATOM 0 HH TYR A 68 5.870 13.635 3.263 1.00 0.00 H new ATOM 968 N ASP A 69 10.563 7.972 7.322 1.00 0.00 N ATOM 969 CA ASP A 69 11.824 8.524 7.813 1.00 0.00 C ATOM 970 C ASP A 69 12.529 9.254 6.658 1.00 0.00 C ATOM 971 O ASP A 69 12.100 9.183 5.504 1.00 0.00 O ATOM 972 CB ASP A 69 12.705 7.369 8.338 1.00 0.00 C ATOM 973 CG ASP A 69 12.538 7.104 9.831 1.00 0.00 C ATOM 974 OD1 ASP A 69 13.052 7.909 10.639 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.987 6.034 10.190 1.00 0.00 O ATOM 0 H ASP A 69 10.645 7.000 7.024 1.00 0.00 H new ATOM 0 HA ASP A 69 11.644 9.230 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.464 6.460 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.751 7.598 8.133 1.00 0.00 H new ATOM 980 N GLU A 70 13.655 9.911 6.935 1.00 0.00 N ATOM 981 CA GLU A 70 14.658 10.268 5.932 1.00 0.00 C ATOM 982 C GLU A 70 15.675 9.117 5.824 1.00 0.00 C ATOM 983 O GLU A 70 15.628 8.122 6.550 1.00 0.00 O ATOM 984 CB GLU A 70 15.331 11.593 6.351 1.00 0.00 C ATOM 985 CG GLU A 70 14.656 12.828 5.716 1.00 0.00 C ATOM 986 CD GLU A 70 14.977 14.136 6.452 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.922 14.176 7.265 1.00 0.00 O ATOM 988 OE2 GLU A 70 14.220 15.128 6.304 1.00 0.00 O ATOM 0 H GLU A 70 13.900 10.215 7.877 1.00 0.00 H new ATOM 0 HA GLU A 70 14.204 10.415 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.300 11.685 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.382 11.570 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.975 12.915 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.576 12.679 5.706 1.00 0.00 H new ATOM 995 N ASN A 71 16.617 9.224 4.893 1.00 0.00 N ATOM 996 CA ASN A 71 17.749 8.309 4.726 1.00 0.00 C ATOM 997 C ASN A 71 18.762 8.354 5.888 1.00 0.00 C ATOM 998 O ASN A 71 18.700 9.238 6.745 1.00 0.00 O ATOM 999 CB ASN A 71 18.442 8.615 3.394 1.00 0.00 C ATOM 1000 CG ASN A 71 18.927 10.048 3.305 1.00 0.00 C ATOM 1001 OD1 ASN A 71 19.435 10.629 4.259 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.729 10.632 2.144 1.00 0.00 N ATOM 0 H ASN A 71 16.616 9.978 4.206 1.00 0.00 H new ATOM 0 HA ASN A 71 17.349 7.295 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.288 7.940 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.750 8.418 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.001 11.606 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.303 10.111 1.377 1.00 0.00 H new ATOM 1009 N PRO A 72 19.665 7.355 5.971 1.00 0.00 N ATOM 1010 CA PRO A 72 20.778 7.313 6.925 1.00 0.00 C ATOM 1011 C PRO A 72 22.100 7.859 6.350 1.00 0.00 C ATOM 1012 O PRO A 72 23.119 7.852 7.041 1.00 0.00 O ATOM 1013 CB PRO A 72 20.932 5.820 7.218 1.00 0.00 C ATOM 1014 CG PRO A 72 20.677 5.195 5.850 1.00 0.00 C ATOM 1015 CD PRO A 72 19.548 6.061 5.304 1.00 0.00 C ATOM 0 HA PRO A 72 20.569 7.934 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.926 5.580 7.597 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.215 5.475 7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.562 5.232 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.385 4.148 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.631 6.172 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.578 5.607 5.504 1.00 0.00 H new ATOM 1023 N ALA A 73 22.131 8.213 5.062 1.00 0.00 N ATOM 1024 CA ALA A 73 23.333 8.598 4.334 1.00 0.00 C ATOM 1025 C ALA A 73 23.027 9.823 3.494 1.00 0.00 C ATOM 1026 O ALA A 73 21.906 9.988 3.025 1.00 0.00 O ATOM 1027 CB ALA A 73 23.762 7.455 3.419 1.00 0.00 C ATOM 0 H ALA A 73 21.291 8.239 4.483 1.00 0.00 H new ATOM 0 HA ALA A 73 24.135 8.819 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.661 7.743 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.969 6.568 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.963 7.237 2.711 1.00 0.00 H new ATOM 1033 N LYS A 74 24.028 10.649 3.191 1.00 0.00 N ATOM 1034 CA LYS A 74 23.812 11.971 2.615 1.00 0.00 C ATOM 1035 C LYS A 74 23.796 11.933 1.089 1.00 0.00 C ATOM 1036 O LYS A 74 24.293 12.835 0.410 1.00 0.00 O ATOM 1037 CB LYS A 74 24.655 13.041 3.324 1.00 0.00 C ATOM 1038 CG LYS A 74 26.151 12.747 3.423 1.00 0.00 C ATOM 1039 CD LYS A 74 26.871 13.009 2.100 1.00 0.00 C ATOM 1040 CE LYS A 74 28.341 13.342 2.345 1.00 0.00 C ATOM 1041 NZ LYS A 74 29.013 13.680 1.076 1.00 0.00 N ATOM 0 H LYS A 74 25.010 10.418 3.339 1.00 0.00 H new ATOM 0 HA LYS A 74 22.800 12.317 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.523 13.987 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.263 13.178 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.592 13.365 4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.298 11.708 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.793 12.132 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.389 13.833 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.420 14.179 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.839 12.493 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 30.012 13.904 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.954 12.871 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.548 14.504 0.646 1.00 0.00 H new ATOM 1055 N GLU A 75 23.252 10.848 0.545 1.00 0.00 N ATOM 1056 CA GLU A 75 22.915 10.753 -0.862 1.00 0.00 C ATOM 1057 C GLU A 75 21.513 11.332 -1.081 1.00 0.00 C ATOM 1058 O GLU A 75 20.751 11.497 -0.130 1.00 0.00 O ATOM 1059 CB GLU A 75 22.961 9.295 -1.341 1.00 0.00 C ATOM 1060 CG GLU A 75 24.392 8.750 -1.346 1.00 0.00 C ATOM 1061 CD GLU A 75 24.515 7.481 -2.191 1.00 0.00 C ATOM 1062 OE1 GLU A 75 23.743 6.516 -1.986 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.414 7.448 -3.068 1.00 0.00 O ATOM 0 H GLU A 75 23.033 10.006 1.077 1.00 0.00 H new ATOM 0 HA GLU A 75 23.645 11.320 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.338 8.678 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.541 9.227 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.069 9.511 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.703 8.537 -0.323 1.00 0.00 H new ATOM 1070 N ARG A 76 21.129 11.571 -2.337 1.00 0.00 N ATOM 1071 CA ARG A 76 19.741 11.850 -2.685 1.00 0.00 C ATOM 1072 C ARG A 76 19.076 10.537 -3.063 1.00 0.00 C ATOM 1073 O ARG A 76 19.643 9.755 -3.836 1.00 0.00 O ATOM 1074 CB ARG A 76 19.683 12.818 -3.873 1.00 0.00 C ATOM 1075 CG ARG A 76 18.982 14.136 -3.539 1.00 0.00 C ATOM 1076 CD ARG A 76 18.450 14.815 -4.806 1.00 0.00 C ATOM 1077 NE ARG A 76 18.130 16.214 -4.504 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.952 17.242 -4.721 1.00 0.00 C ATOM 1079 NH1 ARG A 76 19.857 17.224 -5.692 1.00 0.00 N ATOM 1080 NH2 ARG A 76 18.877 18.286 -3.919 1.00 0.00 N ATOM 0 H ARG A 76 21.768 11.576 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 76 19.227 12.307 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.697 13.029 -4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.163 12.337 -4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 76 18.158 13.949 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 76 19.678 14.803 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 76 19.194 14.763 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.562 14.296 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 76 17.215 16.415 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.938 16.408 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.471 18.026 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.202 18.294 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.494 19.085 -4.063 1.00 0.00 H new ATOM 1094 N ARG A 77 17.852 10.297 -2.600 1.00 0.00 N ATOM 1095 CA ARG A 77 17.034 9.153 -3.011 1.00 0.00 C ATOM 1096 C ARG A 77 15.558 9.507 -2.892 1.00 0.00 C ATOM 1097 O ARG A 77 15.209 10.456 -2.188 1.00 0.00 O ATOM 1098 CB ARG A 77 17.409 7.899 -2.187 1.00 0.00 C ATOM 1099 CG ARG A 77 17.524 8.132 -0.668 1.00 0.00 C ATOM 1100 CD ARG A 77 18.071 6.898 0.058 1.00 0.00 C ATOM 1101 NE ARG A 77 17.027 5.927 0.429 1.00 0.00 N ATOM 1102 CZ ARG A 77 16.958 4.642 0.053 1.00 0.00 C ATOM 1103 NH1 ARG A 77 17.722 4.170 -0.930 1.00 0.00 N ATOM 1104 NH2 ARG A 77 16.116 3.832 0.681 1.00 0.00 N ATOM 0 H ARG A 77 17.391 10.900 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 77 17.232 8.916 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.660 7.127 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.360 7.512 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.177 8.984 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.544 8.386 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.805 6.405 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.596 7.218 0.958 1.00 0.00 H new ATOM 0 HE ARG A 77 16.280 6.267 1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.374 4.789 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.655 3.189 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.533 4.190 1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.051 2.852 0.407 1.00 0.00 H new ATOM 1118 N THR A 78 14.692 8.744 -3.552 1.00 0.00 N ATOM 1119 CA THR A 78 13.281 8.696 -3.217 1.00 0.00 C ATOM 1120 C THR A 78 12.942 7.277 -2.783 1.00 0.00 C ATOM 1121 O THR A 78 13.633 6.318 -3.146 1.00 0.00 O ATOM 1122 CB THR A 78 12.395 9.242 -4.355 1.00 0.00 C ATOM 1123 OG1 THR A 78 11.031 9.277 -3.980 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.455 8.484 -5.679 1.00 0.00 C ATOM 0 H THR A 78 14.953 8.143 -4.334 1.00 0.00 H new ATOM 0 HA THR A 78 13.067 9.362 -2.381 1.00 0.00 H new ATOM 0 HB THR A 78 12.816 10.234 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.689 8.362 -3.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.791 8.960 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.476 8.498 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.140 7.452 -5.522 1.00 0.00 H new ATOM 1132 N GLY A 79 11.847 7.149 -2.039 1.00 0.00 N ATOM 1133 CA GLY A 79 11.124 5.899 -1.901 1.00 0.00 C ATOM 1134 C GLY A 79 10.024 5.857 -2.949 1.00 0.00 C ATOM 1135 O GLY A 79 9.703 6.903 -3.531 1.00 0.00 O ATOM 0 H GLY A 79 11.437 7.920 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.801 5.054 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.697 5.817 -0.901 1.00 0.00 H new ATOM 1139 N LEU A 80 9.456 4.675 -3.176 1.00 0.00 N ATOM 1140 CA LEU A 80 8.297 4.476 -4.033 1.00 0.00 C ATOM 1141 C LEU A 80 7.636 3.163 -3.620 1.00 0.00 C ATOM 1142 O LEU A 80 8.110 2.079 -3.975 1.00 0.00 O ATOM 1143 CB LEU A 80 8.734 4.421 -5.506 1.00 0.00 C ATOM 1144 CG LEU A 80 7.570 4.642 -6.485 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.178 6.123 -6.572 1.00 0.00 C ATOM 1146 CD2 LEU A 80 7.979 4.174 -7.879 1.00 0.00 C ATOM 0 H LEU A 80 9.799 3.810 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 80 7.593 5.301 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.498 5.178 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.193 3.453 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 80 6.717 4.072 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.352 6.240 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.871 6.477 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.032 6.706 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.153 4.331 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.847 4.742 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.230 3.114 -7.848 1.00 0.00 H new ATOM 1158 N VAL A 81 6.561 3.234 -2.840 1.00 0.00 N ATOM 1159 CA VAL A 81 5.739 2.053 -2.575 1.00 0.00 C ATOM 1160 C VAL A 81 4.722 1.884 -3.716 1.00 0.00 C ATOM 1161 O VAL A 81 4.881 2.466 -4.788 1.00 0.00 O ATOM 1162 CB VAL A 81 5.142 2.105 -1.146 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.243 1.978 -0.083 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.336 3.371 -0.860 1.00 0.00 C ATOM 0 H VAL A 81 6.239 4.087 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 81 6.342 1.145 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 81 4.458 1.258 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.796 2.018 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.763 1.028 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.953 2.798 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.951 3.334 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.978 4.245 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.504 3.438 -1.561 1.00 0.00 H new ATOM 1174 N THR A 82 3.685 1.075 -3.562 1.00 0.00 N ATOM 1175 CA THR A 82 2.447 1.169 -4.326 1.00 0.00 C ATOM 1176 C THR A 82 1.330 0.760 -3.363 1.00 0.00 C ATOM 1177 O THR A 82 1.556 -0.064 -2.469 1.00 0.00 O ATOM 1178 CB THR A 82 2.550 0.279 -5.582 1.00 0.00 C ATOM 1179 OG1 THR A 82 3.541 0.796 -6.453 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.258 0.221 -6.401 1.00 0.00 C ATOM 0 H THR A 82 3.680 0.313 -2.884 1.00 0.00 H new ATOM 0 HA THR A 82 2.242 2.172 -4.700 1.00 0.00 H new ATOM 0 HB THR A 82 2.783 -0.719 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.025 1.521 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.405 -0.423 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.454 -0.180 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.993 1.224 -6.735 1.00 0.00 H new ATOM 1188 N LEU A 83 0.138 1.352 -3.486 1.00 0.00 N ATOM 1189 CA LEU A 83 -1.055 0.910 -2.765 1.00 0.00 C ATOM 1190 C LEU A 83 -2.111 0.556 -3.794 1.00 0.00 C ATOM 1191 O LEU A 83 -2.299 1.290 -4.769 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.628 1.922 -1.745 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.708 3.399 -2.145 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.872 4.072 -1.404 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.419 4.139 -1.776 1.00 0.00 C ATOM 0 H LEU A 83 -0.025 2.156 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.758 0.054 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.634 1.595 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.026 1.856 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.857 3.445 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.927 5.122 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.806 3.575 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.711 3.997 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.503 5.185 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.259 4.077 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.424 3.682 -2.295 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.795 -0.563 -3.558 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.864 -1.087 -4.393 1.00 0.00 C ATOM 1209 C LYS A 84 -5.108 -1.243 -3.531 1.00 0.00 C ATOM 1210 O LYS A 84 -5.082 -1.948 -2.519 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.402 -2.409 -5.032 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.384 -2.896 -6.106 1.00 0.00 C ATOM 1213 CD LYS A 84 -5.116 -4.183 -5.708 1.00 0.00 C ATOM 1214 CE LYS A 84 -6.242 -4.437 -6.712 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.807 -5.790 -6.588 1.00 0.00 N ATOM 0 H LYS A 84 -2.608 -1.150 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.109 -0.410 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.416 -2.273 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.301 -3.171 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.117 -2.113 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.842 -3.066 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.423 -5.024 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.522 -4.091 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.032 -3.701 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.862 -4.296 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.566 -5.915 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.061 -6.495 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.194 -5.918 -5.631 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.175 -0.547 -3.903 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.478 -0.645 -3.275 1.00 0.00 C ATOM 1231 C GLN A 85 -8.053 -2.044 -3.505 1.00 0.00 C ATOM 1232 O GLN A 85 -7.833 -2.628 -4.563 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.392 0.429 -3.886 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.609 0.751 -3.007 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.138 2.155 -3.287 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -9.626 3.136 -2.755 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -11.151 2.296 -4.125 1.00 0.00 N ATOM 0 H GLN A 85 -6.152 0.120 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.399 -0.483 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.816 1.340 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.736 0.092 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.396 0.020 -3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.334 0.666 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.570 1.475 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.514 3.226 -4.335 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.839 -2.516 -2.539 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.454 -3.842 -2.448 1.00 0.00 C ATOM 1248 C ASP A 86 -10.214 -4.255 -3.714 1.00 0.00 C ATOM 1249 O ASP A 86 -9.681 -4.959 -4.567 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.369 -3.834 -1.217 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.177 -5.112 -0.991 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.867 -6.193 -1.541 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.154 -5.018 -0.223 1.00 0.00 O ATOM 0 H ASP A 86 -9.082 -1.937 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.669 -4.591 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.759 -3.649 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.062 -2.997 -1.306 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.477 -3.847 -3.841 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.336 -4.280 -4.944 1.00 0.00 C ATOM 1260 C GLU A 87 -12.055 -3.482 -6.218 1.00 0.00 C ATOM 1261 O GLU A 87 -12.512 -3.839 -7.300 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.797 -4.064 -4.549 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.213 -4.850 -3.305 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.710 -4.733 -3.038 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.356 -3.738 -3.445 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.260 -5.666 -2.414 1.00 0.00 O ATOM 0 H GLU A 87 -11.932 -3.211 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.133 -5.333 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.964 -3.002 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.437 -4.352 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.947 -5.899 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.659 -4.483 -2.441 1.00 0.00 H new ATOM 1273 N SER A 88 -11.364 -2.357 -6.066 1.00 0.00 N ATOM 1274 CA SER A 88 -10.856 -1.505 -7.125 1.00 0.00 C ATOM 1275 C SER A 88 -9.429 -1.945 -7.469 1.00 0.00 C ATOM 1276 O SER A 88 -9.107 -3.128 -7.374 1.00 0.00 O ATOM 1277 CB SER A 88 -11.015 -0.025 -6.763 1.00 0.00 C ATOM 1278 OG SER A 88 -12.077 0.160 -5.847 1.00 0.00 O ATOM 0 H SER A 88 -11.132 -1.997 -5.140 1.00 0.00 H new ATOM 0 HA SER A 88 -11.443 -1.618 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.087 0.349 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.203 0.556 -7.666 1.00 0.00 H new ATOM 0 HG SER A 88 -12.890 -0.257 -6.201 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.598 -1.040 -7.981 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.273 -1.399 -8.448 1.00 0.00 C ATOM 1286 C GLY A 89 -6.531 -0.281 -9.165 1.00 0.00 C ATOM 1287 O GLY A 89 -5.408 -0.525 -9.605 1.00 0.00 O ATOM 0 H GLY A 89 -8.826 -0.051 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.677 -1.725 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.358 -2.252 -9.122 1.00 0.00 H new ATOM 1291 N LYS A 90 -7.102 0.926 -9.292 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.351 2.079 -9.761 1.00 0.00 C ATOM 1293 C LYS A 90 -5.404 2.464 -8.644 1.00 0.00 C ATOM 1294 O LYS A 90 -5.849 3.024 -7.644 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.277 3.240 -10.137 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.281 3.519 -11.647 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.604 4.852 -12.011 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.168 5.039 -11.495 1.00 0.00 C ATOM 1299 NZ LYS A 90 -4.176 4.191 -12.179 1.00 0.00 N ATOM 0 H LYS A 90 -8.080 1.119 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.799 1.835 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.292 3.013 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.964 4.138 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.771 2.705 -12.163 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.310 3.530 -12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.595 4.948 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.217 5.666 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.882 6.084 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.144 4.821 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.232 4.370 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.424 3.190 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.170 4.414 -13.195 1.00 0.00 H new ATOM 1313 N THR A 91 -4.142 2.101 -8.781 1.00 0.00 N ATOM 1314 CA THR A 91 -3.184 2.207 -7.697 1.00 0.00 C ATOM 1315 C THR A 91 -2.882 3.673 -7.406 1.00 0.00 C ATOM 1316 O THR A 91 -2.939 4.519 -8.309 1.00 0.00 O ATOM 1317 CB THR A 91 -1.919 1.412 -8.041 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.479 1.713 -9.352 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.188 -0.093 -7.931 1.00 0.00 C ATOM 0 H THR A 91 -3.753 1.725 -9.646 1.00 0.00 H new ATOM 0 HA THR A 91 -3.606 1.777 -6.789 1.00 0.00 H new ATOM 0 HB THR A 91 -1.142 1.694 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.670 1.197 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.281 -0.644 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.493 -0.335 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.982 -0.372 -8.624 1.00 0.00 H new ATOM 1327 N LEU A 92 -2.519 3.963 -6.160 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.944 5.233 -5.748 1.00 0.00 C ATOM 1329 C LEU A 92 -0.438 5.046 -5.533 1.00 0.00 C ATOM 1330 O LEU A 92 0.080 3.925 -5.574 1.00 0.00 O ATOM 1331 CB LEU A 92 -2.695 5.763 -4.515 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.697 6.894 -4.801 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -4.760 6.537 -5.849 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -4.390 7.247 -3.482 1.00 0.00 C ATOM 0 H LEU A 92 -2.621 3.301 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.060 5.995 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.229 4.934 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.965 6.120 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.136 7.732 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.428 7.386 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.273 6.293 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.336 5.677 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.109 8.049 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.909 6.369 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.646 7.575 -2.756 1.00 0.00 H new ATOM 1346 N SER A 93 0.281 6.157 -5.367 1.00 0.00 N ATOM 1347 CA SER A 93 1.737 6.218 -5.363 1.00 0.00 C ATOM 1348 C SER A 93 2.158 7.344 -4.408 1.00 0.00 C ATOM 1349 O SER A 93 1.430 8.330 -4.271 1.00 0.00 O ATOM 1350 CB SER A 93 2.191 6.455 -6.815 1.00 0.00 C ATOM 1351 OG SER A 93 3.568 6.223 -7.031 1.00 0.00 O ATOM 0 H SER A 93 -0.153 7.069 -5.227 1.00 0.00 H new ATOM 0 HA SER A 93 2.205 5.299 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.616 5.806 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.958 7.482 -7.095 1.00 0.00 H new ATOM 0 HG SER A 93 3.784 6.391 -7.972 1.00 0.00 H new ATOM 1357 N LEU A 94 3.284 7.186 -3.722 1.00 0.00 N ATOM 1358 CA LEU A 94 3.804 7.995 -2.629 1.00 0.00 C ATOM 1359 C LEU A 94 5.300 8.116 -2.875 1.00 0.00 C ATOM 1360 O LEU A 94 6.021 7.119 -2.791 1.00 0.00 O ATOM 1361 CB LEU A 94 3.514 7.270 -1.303 1.00 0.00 C ATOM 1362 CG LEU A 94 4.289 7.787 -0.073 1.00 0.00 C ATOM 1363 CD1 LEU A 94 3.991 9.257 0.231 1.00 0.00 C ATOM 1364 CD2 LEU A 94 3.924 6.923 1.135 1.00 0.00 C ATOM 0 H LEU A 94 3.915 6.414 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 94 3.347 8.983 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.447 7.346 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.739 6.211 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 94 5.355 7.718 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.561 9.571 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.273 9.870 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.926 9.379 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.465 7.277 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.852 6.989 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.195 5.886 0.936 1.00 0.00 H new ATOM 1376 N LYS A 95 5.760 9.315 -3.225 1.00 0.00 N ATOM 1377 CA LYS A 95 7.119 9.537 -3.700 1.00 0.00 C ATOM 1378 C LYS A 95 7.733 10.665 -2.887 1.00 0.00 C ATOM 1379 O LYS A 95 7.116 11.725 -2.736 1.00 0.00 O ATOM 1380 CB LYS A 95 7.046 9.805 -5.205 1.00 0.00 C ATOM 1381 CG LYS A 95 8.414 9.637 -5.868 1.00 0.00 C ATOM 1382 CD LYS A 95 8.253 9.665 -7.387 1.00 0.00 C ATOM 1383 CE LYS A 95 9.560 9.249 -8.061 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.378 8.901 -9.483 1.00 0.00 N ATOM 0 H LYS A 95 5.195 10.163 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 95 7.770 8.674 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.331 9.122 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.677 10.816 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.085 10.434 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.867 8.696 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.450 8.993 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.970 10.666 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.282 10.062 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.981 8.394 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.293 8.626 -9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.710 8.108 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.002 9.724 -9.996 1.00 0.00 H new ATOM 1398 N ILE A 96 8.916 10.436 -2.323 1.00 0.00 N ATOM 1399 CA ILE A 96 9.501 11.236 -1.251 1.00 0.00 C ATOM 1400 C ILE A 96 10.965 11.486 -1.625 1.00 0.00 C ATOM 1401 O ILE A 96 11.875 10.806 -1.140 1.00 0.00 O ATOM 1402 CB ILE A 96 9.357 10.500 0.103 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.924 10.015 0.436 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.856 11.397 1.249 1.00 0.00 C ATOM 1405 CD1 ILE A 96 7.976 8.693 1.202 1.00 0.00 C ATOM 0 H ILE A 96 9.514 9.661 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 96 8.988 12.191 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 96 9.968 9.603 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.407 10.768 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.353 9.888 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.750 10.869 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.905 11.645 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.267 12.314 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.962 8.364 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.474 7.939 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.529 8.832 2.131 1.00 0.00 H new ATOM 1417 N VAL A 97 11.192 12.422 -2.537 1.00 0.00 N ATOM 1418 CA VAL A 97 12.500 12.859 -2.984 1.00 0.00 C ATOM 1419 C VAL A 97 13.058 13.748 -1.862 1.00 0.00 C ATOM 1420 O VAL A 97 12.663 14.909 -1.767 1.00 0.00 O ATOM 1421 CB VAL A 97 12.306 13.585 -4.340 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.609 14.153 -4.904 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.711 12.688 -5.452 1.00 0.00 C ATOM 0 H VAL A 97 10.432 12.917 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 97 13.216 12.056 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 97 11.607 14.383 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.409 14.649 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.027 14.872 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.321 13.343 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.606 13.267 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.375 11.842 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.733 12.322 -5.140 1.00 0.00 H new ATOM 1433 N GLN A 98 13.926 13.201 -1.001 1.00 0.00 N ATOM 1434 CA GLN A 98 14.655 13.945 0.033 1.00 0.00 C ATOM 1435 C GLN A 98 16.156 14.024 -0.269 1.00 0.00 C ATOM 1436 O GLN A 98 16.676 13.159 -0.990 1.00 0.00 O ATOM 1437 CB GLN A 98 14.329 13.492 1.484 1.00 0.00 C ATOM 1438 CG GLN A 98 13.784 12.083 1.777 1.00 0.00 C ATOM 1439 CD GLN A 98 14.788 10.940 1.912 1.00 0.00 C ATOM 1440 OE1 GLN A 98 15.668 10.915 2.766 1.00 0.00 O ATOM 1441 NE2 GLN A 98 14.576 9.872 1.164 1.00 0.00 N ATOM 0 H GLN A 98 14.146 12.205 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 98 14.281 14.968 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.243 13.607 2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.605 14.202 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.209 12.133 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.086 11.823 0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.846 9.885 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.142 9.034 1.299 1.00 0.00 H new ATOM 1450 N PRO A 99 16.859 15.048 0.253 1.00 0.00 N ATOM 1451 CA PRO A 99 18.311 15.056 0.401 1.00 0.00 C ATOM 1452 C PRO A 99 18.700 14.059 1.473 1.00 0.00 C ATOM 1453 O PRO A 99 17.868 13.249 1.886 1.00 0.00 O ATOM 1454 CB PRO A 99 18.652 16.496 0.787 1.00 0.00 C ATOM 1455 CG PRO A 99 17.479 16.865 1.684 1.00 0.00 C ATOM 1456 CD PRO A 99 16.304 16.190 0.978 1.00 0.00 C ATOM 0 HA PRO A 99 18.851 14.764 -0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.605 16.564 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.721 17.147 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.611 16.493 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.345 17.944 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.553 15.865 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.812 16.882 0.295 1.00 0.00 H new ATOM 1464 N GLY A 100 19.955 14.074 1.921 1.00 0.00 N ATOM 1465 CA GLY A 100 20.319 13.185 2.994 1.00 0.00 C ATOM 1466 C GLY A 100 21.238 13.780 4.030 1.00 0.00 C ATOM 1467 O GLY A 100 21.858 14.829 3.821 1.00 0.00 O ATOM 0 H GLY A 100 20.702 14.671 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.409 12.846 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.798 12.303 2.569 1.00 0.00 H new ATOM 1471 N LYS A 101 21.360 13.054 5.142 1.00 0.00 N ATOM 1472 CA LYS A 101 22.118 13.499 6.305 1.00 0.00 C ATOM 1473 C LYS A 101 22.896 12.365 6.957 1.00 0.00 C ATOM 1474 O LYS A 101 22.758 11.213 6.556 1.00 0.00 O ATOM 1475 CB LYS A 101 21.200 14.261 7.273 1.00 0.00 C ATOM 1476 CG LYS A 101 20.307 13.434 8.205 1.00 0.00 C ATOM 1477 CD LYS A 101 19.254 12.552 7.521 1.00 0.00 C ATOM 1478 CE LYS A 101 18.256 11.998 8.548 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.458 13.066 9.189 1.00 0.00 N ATOM 0 H LYS A 101 20.932 12.136 5.259 1.00 0.00 H new ATOM 0 HA LYS A 101 22.885 14.200 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 101 21.825 14.905 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.556 14.913 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.946 12.796 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.795 14.116 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.722 13.132 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.744 11.728 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.586 11.293 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.797 11.443 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.631 12.646 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.042 13.561 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.139 13.743 8.466 1.00 0.00 H new ATOM 1493 N THR A 102 23.752 12.729 7.910 1.00 0.00 N ATOM 1494 CA THR A 102 24.716 11.886 8.596 1.00 0.00 C ATOM 1495 C THR A 102 25.106 12.611 9.894 1.00 0.00 C ATOM 1496 O THR A 102 26.005 13.460 9.883 1.00 0.00 O ATOM 1497 CB THR A 102 25.961 11.671 7.706 1.00 0.00 C ATOM 1498 OG1 THR A 102 26.287 12.826 6.940 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.838 10.524 6.703 1.00 0.00 C ATOM 0 H THR A 102 23.789 13.692 8.244 1.00 0.00 H new ATOM 0 HA THR A 102 24.291 10.906 8.815 1.00 0.00 H new ATOM 0 HB THR A 102 26.736 11.435 8.435 1.00 0.00 H new ATOM 0 HG1 THR A 102 26.400 13.594 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.758 10.448 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.668 9.590 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 102 25.001 10.716 6.032 1.00 0.00 H new ATOM 1507 N SER A 103 24.419 12.345 11.000 1.00 0.00 N ATOM 1508 CA SER A 103 24.693 12.951 12.294 1.00 0.00 C ATOM 1509 C SER A 103 24.388 11.956 13.423 1.00 0.00 C ATOM 1510 O SER A 103 24.344 10.740 13.209 1.00 0.00 O ATOM 1511 CB SER A 103 23.938 14.287 12.406 1.00 0.00 C ATOM 1512 OG SER A 103 22.543 14.089 12.419 1.00 0.00 O ATOM 0 H SER A 103 23.640 11.687 11.020 1.00 0.00 H new ATOM 0 HA SER A 103 25.752 13.188 12.392 1.00 0.00 H new ATOM 0 HB2 SER A 103 24.242 14.804 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.208 14.931 11.569 1.00 0.00 H new ATOM 0 HG SER A 103 22.090 14.955 12.493 1.00 0.00 H new ATOM 1518 N ILE A 104 24.278 12.465 14.650 1.00 0.00 N ATOM 1519 CA ILE A 104 23.865 11.711 15.831 1.00 0.00 C ATOM 1520 C ILE A 104 22.439 12.110 16.260 1.00 0.00 C ATOM 1521 O ILE A 104 21.999 11.736 17.345 1.00 0.00 O ATOM 1522 CB ILE A 104 24.927 11.858 16.948 1.00 0.00 C ATOM 1523 CG1 ILE A 104 24.966 13.279 17.555 1.00 0.00 C ATOM 1524 CG2 ILE A 104 26.321 11.467 16.416 1.00 0.00 C ATOM 1525 CD1 ILE A 104 25.910 13.407 18.756 1.00 0.00 C ATOM 0 H ILE A 104 24.480 13.444 14.855 1.00 0.00 H new ATOM 0 HA ILE A 104 23.812 10.648 15.597 1.00 0.00 H new ATOM 0 HB ILE A 104 24.638 11.179 17.750 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.274 13.986 16.785 1.00 0.00 H new ATOM 0 HG13 ILE A 104 23.959 13.561 17.863 1.00 0.00 H new ATOM 0 HG21 ILE A 104 27.058 11.575 17.212 1.00 0.00 H new ATOM 0 HG22 ILE A 104 26.303 10.432 16.076 1.00 0.00 H new ATOM 0 HG23 ILE A 104 26.588 12.118 15.583 1.00 0.00 H new ATOM 0 HD11 ILE A 104 25.886 14.431 19.130 1.00 0.00 H new ATOM 0 HD12 ILE A 104 25.591 12.725 19.544 1.00 0.00 H new ATOM 0 HD13 ILE A 104 26.925 13.156 18.449 1.00 0.00 H new ATOM 1537 N ASP A 105 21.733 12.909 15.448 1.00 0.00 N ATOM 1538 CA ASP A 105 20.339 13.300 15.664 1.00 0.00 C ATOM 1539 C ASP A 105 19.447 12.087 15.500 1.00 0.00 C ATOM 1540 O ASP A 105 18.972 11.551 16.518 1.00 0.00 O ATOM 1541 CB ASP A 105 19.945 14.410 14.681 1.00 0.00 C ATOM 1542 CG ASP A 105 18.439 14.679 14.667 1.00 0.00 C ATOM 1543 OD1 ASP A 105 17.772 14.560 15.719 1.00 0.00 O ATOM 1544 OD2 ASP A 105 17.913 15.071 13.597 1.00 0.00 O ATOM 0 H ASP A 105 22.130 13.311 14.599 1.00 0.00 H new ATOM 0 HA ASP A 105 20.219 13.689 16.675 1.00 0.00 H new ATOM 0 HB2 ASP A 105 20.471 15.327 14.945 1.00 0.00 H new ATOM 0 HB3 ASP A 105 20.270 14.134 13.678 1.00 0.00 H new TER 1549 ASP A 105