USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=40 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 71 ASN : amide:sc= 0.0794 K(o=-0.5,f=-10!) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.582! X(o=-0.5!,f=-0.96) USER MOD Set 2.1: A 38 SER OG : rot -87:sc= 0.239 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.0387 X(o=0.28,f=0.68) USER MOD Set 2.3: A 88 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 13 TYR OH : rot 113:sc= -0.254 USER MOD Set 3.2: A 20 HIS : no HD1:sc= -0.786 K(o=-1,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.259 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.844 K(o=0.84,f=-3!) USER MOD Single : A 3 MET CE :methyl -161:sc= -1.68 (180deg=-2.57!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -58:sc= 0.142 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 11:sc= 0.545 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 37:sc= 0.00877 USER MOD Single : A 37 THR OG1 : rot 104:sc= 1.05 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= -0.0353 (180deg=-0.9) 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= -0.016 K(o=-0.016,f=-0.91) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0437 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 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00894 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.0262 K(o=0.026,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0607 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.124 (180deg=-0.599) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00428 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -0.0056 (180deg=-0.151) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 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 101 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.18) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 24:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.165 9.438 -12.548 1.00 0.00 N ATOM 2 CA GLY A 1 -38.843 8.781 -11.416 1.00 0.00 C ATOM 3 C GLY A 1 -38.109 7.494 -11.089 1.00 0.00 C ATOM 4 O GLY A 1 -37.034 7.299 -11.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.015 10.443 -12.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.246 8.980 -12.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.754 9.355 -13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.854 9.440 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.882 8.570 -11.669 1.00 0.00 H new ATOM 8 N HIS A 2 -38.684 6.639 -10.229 1.00 0.00 N ATOM 9 CA HIS A 2 -38.011 5.477 -9.635 1.00 0.00 C ATOM 10 C HIS A 2 -36.611 5.845 -9.104 1.00 0.00 C ATOM 11 O HIS A 2 -36.336 7.017 -8.844 1.00 0.00 O ATOM 12 CB HIS A 2 -38.090 4.231 -10.550 1.00 0.00 C ATOM 13 CG HIS A 2 -37.315 4.302 -11.844 1.00 0.00 C ATOM 14 ND1 HIS A 2 -35.987 3.976 -12.028 1.00 0.00 N ATOM 15 CD2 HIS A 2 -37.817 4.687 -13.059 1.00 0.00 C ATOM 16 CE1 HIS A 2 -35.694 4.202 -13.321 1.00 0.00 C ATOM 17 NE2 HIS A 2 -36.776 4.642 -13.985 1.00 0.00 N ATOM 0 H HIS A 2 -39.651 6.740 -9.921 1.00 0.00 H new ATOM 0 HA HIS A 2 -38.557 5.169 -8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -37.735 3.369 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -39.138 4.047 -10.788 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -35.346 3.628 -11.315 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -38.838 4.974 -13.263 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -34.721 4.050 -13.765 1.00 0.00 H new ATOM 25 N MET A 3 -35.775 4.845 -8.836 1.00 0.00 N ATOM 26 CA MET A 3 -34.365 4.987 -8.494 1.00 0.00 C ATOM 27 C MET A 3 -33.617 3.903 -9.286 1.00 0.00 C ATOM 28 O MET A 3 -34.263 3.057 -9.912 1.00 0.00 O ATOM 29 CB MET A 3 -34.221 4.869 -6.963 1.00 0.00 C ATOM 30 CG MET A 3 -32.831 5.130 -6.357 1.00 0.00 C ATOM 31 SD MET A 3 -32.242 6.850 -6.258 1.00 0.00 S ATOM 32 CE MET A 3 -31.806 7.274 -7.969 1.00 0.00 C ATOM 0 H MET A 3 -36.077 3.871 -8.852 1.00 0.00 H new ATOM 0 HA MET A 3 -33.939 5.954 -8.761 1.00 0.00 H new ATOM 0 HB2 MET A 3 -34.924 5.565 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 3 -34.531 3.865 -6.673 1.00 0.00 H new ATOM 0 HG2 MET A 3 -32.826 4.718 -5.348 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.103 4.562 -6.937 1.00 0.00 H new ATOM 0 HE1 MET A 3 -31.142 8.138 -7.972 1.00 0.00 H new ATOM 0 HE2 MET A 3 -31.302 6.428 -8.436 1.00 0.00 H new ATOM 0 HE3 MET A 3 -32.712 7.510 -8.527 1.00 0.00 H new ATOM 42 N GLY A 4 -32.285 3.912 -9.282 1.00 0.00 N ATOM 43 CA GLY A 4 -31.453 2.904 -9.920 1.00 0.00 C ATOM 44 C GLY A 4 -30.232 3.559 -10.555 1.00 0.00 C ATOM 45 O GLY A 4 -30.330 4.633 -11.156 1.00 0.00 O ATOM 0 H GLY A 4 -31.744 4.643 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.137 2.163 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.028 2.374 -10.680 1.00 0.00 H new ATOM 49 N SER A 5 -29.081 2.902 -10.425 1.00 0.00 N ATOM 50 CA SER A 5 -27.828 3.218 -11.096 1.00 0.00 C ATOM 51 C SER A 5 -26.854 2.050 -10.850 1.00 0.00 C ATOM 52 O SER A 5 -27.082 1.269 -9.913 1.00 0.00 O ATOM 53 CB SER A 5 -27.278 4.552 -10.557 1.00 0.00 C ATOM 54 OG SER A 5 -27.222 4.596 -9.140 1.00 0.00 O ATOM 0 H SER A 5 -28.996 2.090 -9.814 1.00 0.00 H new ATOM 0 HA SER A 5 -27.970 3.339 -12.170 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.279 4.716 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.904 5.369 -10.916 1.00 0.00 H new ATOM 0 HG SER A 5 -26.865 5.462 -8.853 1.00 0.00 H new ATOM 60 N PRO A 6 -25.761 1.915 -11.618 1.00 0.00 N ATOM 61 CA PRO A 6 -24.677 1.008 -11.257 1.00 0.00 C ATOM 62 C PRO A 6 -23.992 1.511 -9.979 1.00 0.00 C ATOM 63 O PRO A 6 -24.042 2.709 -9.677 1.00 0.00 O ATOM 64 CB PRO A 6 -23.739 0.995 -12.469 1.00 0.00 C ATOM 65 CG PRO A 6 -23.987 2.341 -13.148 1.00 0.00 C ATOM 66 CD PRO A 6 -25.455 2.636 -12.845 1.00 0.00 C ATOM 0 HA PRO A 6 -25.016 -0.004 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.698 0.888 -12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.964 0.164 -13.138 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.333 3.117 -12.750 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -23.803 2.288 -14.221 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -25.621 3.706 -12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.097 2.306 -13.662 1.00 0.00 H new ATOM 74 N VAL A 7 -23.324 0.625 -9.236 1.00 0.00 N ATOM 75 CA VAL A 7 -22.506 1.037 -8.097 1.00 0.00 C ATOM 76 C VAL A 7 -21.422 2.003 -8.590 1.00 0.00 C ATOM 77 O VAL A 7 -20.807 1.769 -9.630 1.00 0.00 O ATOM 78 CB VAL A 7 -21.967 -0.197 -7.332 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.206 -1.213 -8.191 1.00 0.00 C ATOM 80 CG2 VAL A 7 -21.039 0.176 -6.169 1.00 0.00 C ATOM 0 H VAL A 7 -23.335 -0.381 -9.404 1.00 0.00 H new ATOM 0 HA VAL A 7 -23.104 1.579 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.887 -0.657 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.869 -2.039 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -21.864 -1.594 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.343 -0.729 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.695 -0.731 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -20.181 0.729 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.581 0.796 -5.455 1.00 0.00 H new ATOM 90 N SER A 8 -21.154 3.072 -7.841 1.00 0.00 N ATOM 91 CA SER A 8 -20.101 4.031 -8.138 1.00 0.00 C ATOM 92 C SER A 8 -18.914 3.740 -7.224 1.00 0.00 C ATOM 93 O SER A 8 -18.966 4.060 -6.038 1.00 0.00 O ATOM 94 CB SER A 8 -20.608 5.461 -7.940 1.00 0.00 C ATOM 95 OG SER A 8 -21.747 5.736 -8.733 1.00 0.00 O ATOM 0 H SER A 8 -21.676 3.296 -6.994 1.00 0.00 H new ATOM 0 HA SER A 8 -19.791 3.936 -9.179 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.852 5.616 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.814 6.165 -8.190 1.00 0.00 H new ATOM 0 HG SER A 8 -22.040 6.658 -8.576 1.00 0.00 H new ATOM 101 N TYR A 9 -17.870 3.088 -7.734 1.00 0.00 N ATOM 102 CA TYR A 9 -16.600 2.983 -7.022 1.00 0.00 C ATOM 103 C TYR A 9 -15.852 4.309 -7.135 1.00 0.00 C ATOM 104 O TYR A 9 -16.025 5.049 -8.110 1.00 0.00 O ATOM 105 CB TYR A 9 -15.754 1.830 -7.573 1.00 0.00 C ATOM 106 CG TYR A 9 -16.083 0.463 -6.992 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.410 0.015 -6.900 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.049 -0.385 -6.563 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.708 -1.269 -6.411 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.327 -1.686 -6.117 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.660 -2.138 -6.035 1.00 0.00 C ATOM 112 OH TYR A 9 -16.935 -3.393 -5.591 1.00 0.00 O ATOM 0 H TYR A 9 -17.881 2.623 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.796 2.768 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.881 1.790 -8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.703 2.046 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.214 0.666 -7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.028 -0.032 -6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.735 -1.590 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.517 -2.343 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.098 -3.855 -5.377 1.00 0.00 H new ATOM 122 N TYR A 10 -14.988 4.563 -6.162 1.00 0.00 N ATOM 123 CA TYR A 10 -14.123 5.716 -6.012 1.00 0.00 C ATOM 124 C TYR A 10 -12.774 5.156 -5.552 1.00 0.00 C ATOM 125 O TYR A 10 -12.710 4.426 -4.552 1.00 0.00 O ATOM 126 CB TYR A 10 -14.708 6.686 -4.975 1.00 0.00 C ATOM 127 CG TYR A 10 -16.043 7.318 -5.339 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.268 6.650 -5.123 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.053 8.619 -5.862 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.497 7.275 -5.431 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.263 9.254 -6.168 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.488 8.591 -5.959 1.00 0.00 C ATOM 133 OH TYR A 10 -19.634 9.261 -6.258 1.00 0.00 O ATOM 0 H TYR A 10 -14.867 3.906 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.020 6.279 -6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.825 6.152 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.985 7.483 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.265 5.649 -4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.120 9.136 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.431 6.758 -5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.257 10.258 -6.567 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.412 10.149 -6.607 1.00 0.00 H new ATOM 143 N PHE A 11 -11.715 5.402 -6.320 1.00 0.00 N ATOM 144 CA PHE A 11 -10.379 4.862 -6.076 1.00 0.00 C ATOM 145 C PHE A 11 -9.306 5.855 -6.560 1.00 0.00 C ATOM 146 O PHE A 11 -8.330 5.481 -7.218 1.00 0.00 O ATOM 147 CB PHE A 11 -10.265 3.442 -6.672 1.00 0.00 C ATOM 148 CG PHE A 11 -10.894 3.207 -8.039 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.393 3.849 -9.184 1.00 0.00 C ATOM 150 CD2 PHE A 11 -11.976 2.315 -8.172 1.00 0.00 C ATOM 151 CE1 PHE A 11 -10.957 3.598 -10.446 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.534 2.055 -9.436 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.016 2.688 -10.578 1.00 0.00 C ATOM 0 H PHE A 11 -11.763 5.996 -7.148 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.202 4.745 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.207 3.188 -6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.717 2.743 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.568 4.540 -9.093 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.380 1.827 -7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.574 4.108 -11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.362 1.368 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.431 2.475 -11.552 1.00 0.00 H new ATOM 163 N SER A 12 -9.491 7.140 -6.259 1.00 0.00 N ATOM 164 CA SER A 12 -8.569 8.220 -6.603 1.00 0.00 C ATOM 165 C SER A 12 -8.506 9.235 -5.448 1.00 0.00 C ATOM 166 O SER A 12 -9.070 8.975 -4.388 1.00 0.00 O ATOM 167 CB SER A 12 -8.977 8.810 -7.962 1.00 0.00 C ATOM 168 OG SER A 12 -10.377 8.982 -8.113 1.00 0.00 O ATOM 0 H SER A 12 -10.314 7.468 -5.753 1.00 0.00 H new ATOM 0 HA SER A 12 -7.548 7.857 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.486 9.774 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.613 8.157 -8.755 1.00 0.00 H new ATOM 0 HG SER A 12 -10.567 9.361 -8.996 1.00 0.00 H new ATOM 174 N TYR A 13 -7.768 10.343 -5.579 1.00 0.00 N ATOM 175 CA TYR A 13 -7.644 11.358 -4.527 1.00 0.00 C ATOM 176 C TYR A 13 -8.957 12.130 -4.319 1.00 0.00 C ATOM 177 O TYR A 13 -9.977 11.810 -4.936 1.00 0.00 O ATOM 178 CB TYR A 13 -6.481 12.296 -4.875 1.00 0.00 C ATOM 179 CG TYR A 13 -5.284 12.166 -3.970 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.302 11.191 -4.232 1.00 0.00 C ATOM 181 CD2 TYR A 13 -5.145 13.043 -2.880 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.157 11.119 -3.424 1.00 0.00 C ATOM 183 CE2 TYR A 13 -4.024 12.956 -2.048 1.00 0.00 C ATOM 184 CZ TYR A 13 -3.024 12.004 -2.329 1.00 0.00 C ATOM 185 OH TYR A 13 -1.937 11.935 -1.529 1.00 0.00 O ATOM 0 H TYR A 13 -7.237 10.562 -6.422 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.432 10.864 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.168 12.102 -5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.838 13.325 -4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.430 10.501 -5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.905 13.785 -2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.385 10.395 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.926 13.613 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.400 12.747 -1.637 1.00 0.00 H new ATOM 195 N ALA A 14 -8.950 13.132 -3.435 1.00 0.00 N ATOM 196 CA ALA A 14 -9.983 14.161 -3.399 1.00 0.00 C ATOM 197 C ALA A 14 -9.422 15.574 -3.568 1.00 0.00 C ATOM 198 O ALA A 14 -10.173 16.473 -3.937 1.00 0.00 O ATOM 199 CB ALA A 14 -10.750 14.067 -2.081 1.00 0.00 C ATOM 0 H ALA A 14 -8.226 13.249 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.648 13.979 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.522 14.836 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.214 13.084 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.062 14.214 -1.248 1.00 0.00 H new ATOM 205 N ASP A 15 -8.130 15.794 -3.309 1.00 0.00 N ATOM 206 CA ASP A 15 -7.624 17.147 -3.055 1.00 0.00 C ATOM 207 C ASP A 15 -7.260 17.909 -4.335 1.00 0.00 C ATOM 208 O ASP A 15 -6.956 19.098 -4.277 1.00 0.00 O ATOM 209 CB ASP A 15 -6.455 17.093 -2.059 1.00 0.00 C ATOM 210 CG ASP A 15 -6.133 18.483 -1.507 1.00 0.00 C ATOM 211 OD1 ASP A 15 -6.955 19.006 -0.714 1.00 0.00 O ATOM 212 OD2 ASP A 15 -5.114 19.092 -1.891 1.00 0.00 O ATOM 0 H ASP A 15 -7.421 15.062 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.436 17.720 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.705 16.422 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.574 16.681 -2.551 1.00 0.00 H new ATOM 217 N GLY A 16 -7.300 17.245 -5.494 1.00 0.00 N ATOM 218 CA GLY A 16 -7.002 17.833 -6.794 1.00 0.00 C ATOM 219 C GLY A 16 -5.744 17.210 -7.376 1.00 0.00 C ATOM 220 O GLY A 16 -4.716 17.871 -7.494 1.00 0.00 O ATOM 0 H GLY A 16 -7.548 16.257 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.841 17.678 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.870 18.910 -6.692 1.00 0.00 H new ATOM 224 N GLY A 17 -5.785 15.914 -7.666 1.00 0.00 N ATOM 225 CA GLY A 17 -4.690 15.158 -8.258 1.00 0.00 C ATOM 226 C GLY A 17 -4.992 13.665 -8.142 1.00 0.00 C ATOM 227 O GLY A 17 -6.142 13.302 -7.889 1.00 0.00 O ATOM 0 H GLY A 17 -6.611 15.342 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.564 15.436 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.754 15.393 -7.751 1.00 0.00 H new ATOM 231 N THR A 18 -3.991 12.800 -8.347 1.00 0.00 N ATOM 232 CA THR A 18 -4.052 11.361 -8.088 1.00 0.00 C ATOM 233 C THR A 18 -2.672 10.759 -7.739 1.00 0.00 C ATOM 234 O THR A 18 -2.293 9.717 -8.282 1.00 0.00 O ATOM 235 CB THR A 18 -4.707 10.607 -9.261 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.115 10.914 -10.511 1.00 0.00 O ATOM 237 CG2 THR A 18 -6.208 10.820 -9.402 1.00 0.00 C ATOM 0 H THR A 18 -3.085 13.096 -8.711 1.00 0.00 H new ATOM 0 HA THR A 18 -4.681 11.232 -7.208 1.00 0.00 H new ATOM 0 HB THR A 18 -4.531 9.564 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.566 10.409 -11.219 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.578 10.250 -10.254 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.710 10.484 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.412 11.879 -9.558 1.00 0.00 H new ATOM 245 N SER A 19 -1.880 11.390 -6.872 1.00 0.00 N ATOM 246 CA SER A 19 -0.667 10.786 -6.306 1.00 0.00 C ATOM 247 C SER A 19 -0.209 11.592 -5.092 1.00 0.00 C ATOM 248 O SER A 19 -0.779 12.631 -4.773 1.00 0.00 O ATOM 249 CB SER A 19 0.456 10.735 -7.365 1.00 0.00 C ATOM 250 OG SER A 19 1.307 9.592 -7.276 1.00 0.00 O ATOM 0 H SER A 19 -2.060 12.337 -6.540 1.00 0.00 H new ATOM 0 HA SER A 19 -0.893 9.766 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.004 10.758 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.066 11.634 -7.272 1.00 0.00 H new ATOM 0 HG SER A 19 1.720 9.560 -6.388 1.00 0.00 H new ATOM 256 N HIS A 20 0.875 11.138 -4.472 1.00 0.00 N ATOM 257 CA HIS A 20 1.588 11.804 -3.400 1.00 0.00 C ATOM 258 C HIS A 20 3.067 11.825 -3.762 1.00 0.00 C ATOM 259 O HIS A 20 3.683 10.763 -3.901 1.00 0.00 O ATOM 260 CB HIS A 20 1.268 11.149 -2.047 1.00 0.00 C ATOM 261 CG HIS A 20 0.791 9.713 -2.067 1.00 0.00 C ATOM 262 ND1 HIS A 20 1.339 8.673 -2.776 1.00 0.00 N ATOM 263 CD2 HIS A 20 -0.278 9.215 -1.371 1.00 0.00 C ATOM 264 CE1 HIS A 20 0.651 7.560 -2.479 1.00 0.00 C ATOM 265 NE2 HIS A 20 -0.345 7.836 -1.623 1.00 0.00 N ATOM 0 H HIS A 20 1.299 10.245 -4.722 1.00 0.00 H new ATOM 0 HA HIS A 20 1.266 12.839 -3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.164 11.198 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.505 11.751 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.949 9.781 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.869 6.579 -2.874 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.017 7.175 -1.233 1.00 0.00 H new ATOM 273 N THR A 21 3.610 13.016 -3.997 1.00 0.00 N ATOM 274 CA THR A 21 5.026 13.240 -4.219 1.00 0.00 C ATOM 275 C THR A 21 5.403 14.435 -3.356 1.00 0.00 C ATOM 276 O THR A 21 4.741 15.471 -3.422 1.00 0.00 O ATOM 277 CB THR A 21 5.336 13.505 -5.705 1.00 0.00 C ATOM 278 OG1 THR A 21 4.612 12.621 -6.555 1.00 0.00 O ATOM 279 CG2 THR A 21 6.835 13.383 -6.005 1.00 0.00 C ATOM 0 H THR A 21 3.058 13.873 -4.038 1.00 0.00 H new ATOM 0 HA THR A 21 5.606 12.357 -3.951 1.00 0.00 H new ATOM 0 HB THR A 21 5.022 14.529 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.829 12.816 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.011 13.577 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.386 14.108 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.175 12.377 -5.759 1.00 0.00 H new ATOM 287 N GLU A 22 6.466 14.321 -2.570 1.00 0.00 N ATOM 288 CA GLU A 22 6.973 15.447 -1.805 1.00 0.00 C ATOM 289 C GLU A 22 8.458 15.545 -2.075 1.00 0.00 C ATOM 290 O GLU A 22 9.125 14.528 -2.303 1.00 0.00 O ATOM 291 CB GLU A 22 6.638 15.278 -0.313 1.00 0.00 C ATOM 292 CG GLU A 22 6.686 16.577 0.499 1.00 0.00 C ATOM 293 CD GLU A 22 5.540 17.488 0.083 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.435 17.389 0.660 1.00 0.00 O ATOM 295 OE2 GLU A 22 5.701 18.213 -0.922 1.00 0.00 O ATOM 0 H GLU A 22 6.993 13.457 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 22 6.500 16.382 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.642 14.845 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.336 14.564 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.617 16.354 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.639 17.081 0.340 1.00 0.00 H new ATOM 302 N TYR A 23 8.950 16.779 -2.067 1.00 0.00 N ATOM 303 CA TYR A 23 10.336 17.124 -2.329 1.00 0.00 C ATOM 304 C TYR A 23 10.832 17.917 -1.117 1.00 0.00 C ATOM 305 O TYR A 23 11.026 19.130 -1.226 1.00 0.00 O ATOM 306 CB TYR A 23 10.425 17.917 -3.642 1.00 0.00 C ATOM 307 CG TYR A 23 10.038 17.143 -4.888 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.701 17.086 -5.335 1.00 0.00 C ATOM 309 CD2 TYR A 23 11.038 16.474 -5.607 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.369 16.380 -6.508 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.721 15.760 -6.771 1.00 0.00 C ATOM 312 CZ TYR A 23 9.388 15.712 -7.229 1.00 0.00 C ATOM 313 OH TYR A 23 9.126 15.032 -8.380 1.00 0.00 O ATOM 0 H TYR A 23 8.370 17.595 -1.870 1.00 0.00 H new ATOM 0 HA TYR A 23 10.968 16.245 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.782 18.794 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.446 18.280 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.926 17.587 -4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.061 16.509 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.346 16.349 -6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.498 15.246 -7.317 1.00 0.00 H new ATOM 0 HH TYR A 23 9.956 14.643 -8.726 1.00 0.00 H new ATOM 323 N PRO A 24 10.950 17.284 0.061 1.00 0.00 N ATOM 324 CA PRO A 24 11.406 17.969 1.255 1.00 0.00 C ATOM 325 C PRO A 24 12.889 18.332 1.143 1.00 0.00 C ATOM 326 O PRO A 24 13.575 18.021 0.164 1.00 0.00 O ATOM 327 CB PRO A 24 11.098 17.013 2.406 1.00 0.00 C ATOM 328 CG PRO A 24 11.278 15.660 1.748 1.00 0.00 C ATOM 329 CD PRO A 24 10.668 15.889 0.372 1.00 0.00 C ATOM 0 HA PRO A 24 10.904 18.924 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.779 17.152 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.087 17.149 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.328 15.374 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.764 14.869 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.108 15.223 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.595 15.695 0.379 1.00 0.00 H new ATOM 337 N ASP A 25 13.377 19.016 2.167 1.00 0.00 N ATOM 338 CA ASP A 25 14.725 19.529 2.279 1.00 0.00 C ATOM 339 C ASP A 25 15.141 19.395 3.740 1.00 0.00 C ATOM 340 O ASP A 25 14.321 19.011 4.575 1.00 0.00 O ATOM 341 CB ASP A 25 14.791 20.986 1.787 1.00 0.00 C ATOM 342 CG ASP A 25 14.198 21.992 2.775 1.00 0.00 C ATOM 343 OD1 ASP A 25 12.965 21.980 3.012 1.00 0.00 O ATOM 344 OD2 ASP A 25 14.942 22.865 3.261 1.00 0.00 O ATOM 0 H ASP A 25 12.808 19.238 2.984 1.00 0.00 H new ATOM 0 HA ASP A 25 15.415 18.965 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.831 21.249 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.260 21.065 0.838 1.00 0.00 H new ATOM 349 N ASP A 26 16.407 19.699 4.038 1.00 0.00 N ATOM 350 CA ASP A 26 16.971 19.888 5.380 1.00 0.00 C ATOM 351 C ASP A 26 16.728 18.672 6.290 1.00 0.00 C ATOM 352 O ASP A 26 17.572 17.774 6.286 1.00 0.00 O ATOM 353 CB ASP A 26 16.511 21.255 5.910 1.00 0.00 C ATOM 354 CG ASP A 26 17.186 21.703 7.199 1.00 0.00 C ATOM 355 OD1 ASP A 26 16.981 21.080 8.266 1.00 0.00 O ATOM 356 OD2 ASP A 26 17.836 22.780 7.184 1.00 0.00 O ATOM 0 H ASP A 26 17.107 19.828 3.308 1.00 0.00 H new ATOM 0 HA ASP A 26 18.060 19.926 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.693 22.006 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.434 21.221 6.074 1.00 0.00 H new ATOM 361 N SER A 27 15.576 18.576 6.961 1.00 0.00 N ATOM 362 CA SER A 27 14.940 17.362 7.474 1.00 0.00 C ATOM 363 C SER A 27 13.423 17.625 7.574 1.00 0.00 C ATOM 364 O SER A 27 13.009 18.329 8.499 1.00 0.00 O ATOM 365 CB SER A 27 15.490 17.011 8.865 1.00 0.00 C ATOM 366 OG SER A 27 16.858 16.631 8.864 1.00 0.00 O ATOM 0 H SER A 27 15.024 19.407 7.175 1.00 0.00 H new ATOM 0 HA SER A 27 15.146 16.527 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.362 17.871 9.523 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.898 16.198 9.285 1.00 0.00 H new ATOM 0 HG SER A 27 17.251 16.826 7.988 1.00 0.00 H new ATOM 372 N SER A 28 12.596 17.127 6.645 1.00 0.00 N ATOM 373 CA SER A 28 11.136 17.211 6.752 1.00 0.00 C ATOM 374 C SER A 28 10.481 15.853 6.480 1.00 0.00 C ATOM 375 O SER A 28 10.102 15.549 5.341 1.00 0.00 O ATOM 376 CB SER A 28 10.571 18.281 5.818 1.00 0.00 C ATOM 377 OG SER A 28 11.055 19.573 6.099 1.00 0.00 O ATOM 0 H SER A 28 12.921 16.656 5.801 1.00 0.00 H new ATOM 0 HA SER A 28 10.900 17.501 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.819 18.023 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.484 18.283 5.893 1.00 0.00 H new ATOM 0 HG SER A 28 10.661 20.214 5.470 1.00 0.00 H new ATOM 383 N ALA A 29 10.319 15.052 7.530 1.00 0.00 N ATOM 384 CA ALA A 29 9.597 13.788 7.550 1.00 0.00 C ATOM 385 C ALA A 29 8.865 13.618 8.887 1.00 0.00 C ATOM 386 O ALA A 29 9.123 14.343 9.856 1.00 0.00 O ATOM 387 CB ALA A 29 10.587 12.644 7.311 1.00 0.00 C ATOM 0 H ALA A 29 10.712 15.284 8.442 1.00 0.00 H new ATOM 0 HA ALA A 29 8.847 13.776 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.054 11.693 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.069 12.776 6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.343 12.647 8.096 1.00 0.00 H new ATOM 393 N GLY A 30 7.953 12.647 8.962 1.00 0.00 N ATOM 394 CA GLY A 30 7.216 12.305 10.160 1.00 0.00 C ATOM 395 C GLY A 30 5.930 11.587 9.773 1.00 0.00 C ATOM 396 O GLY A 30 5.800 11.054 8.665 1.00 0.00 O ATOM 0 H GLY A 30 7.706 12.065 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.822 11.668 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.986 13.206 10.729 1.00 0.00 H new ATOM 400 N SER A 31 4.982 11.559 10.704 1.00 0.00 N ATOM 401 CA SER A 31 3.650 11.011 10.514 1.00 0.00 C ATOM 402 C SER A 31 2.680 12.153 10.188 1.00 0.00 C ATOM 403 O SER A 31 2.585 13.118 10.948 1.00 0.00 O ATOM 404 CB SER A 31 3.274 10.206 11.770 1.00 0.00 C ATOM 405 OG SER A 31 3.514 10.912 12.973 1.00 0.00 O ATOM 0 H SER A 31 5.128 11.931 11.643 1.00 0.00 H new ATOM 0 HA SER A 31 3.604 10.323 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.219 9.935 11.719 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.842 9.276 11.782 1.00 0.00 H new ATOM 0 HG SER A 31 3.298 11.859 12.845 1.00 0.00 H new ATOM 411 N PHE A 32 1.984 12.072 9.054 1.00 0.00 N ATOM 412 CA PHE A 32 0.949 13.012 8.617 1.00 0.00 C ATOM 413 C PHE A 32 -0.227 12.251 7.985 1.00 0.00 C ATOM 414 O PHE A 32 -0.332 11.029 8.137 1.00 0.00 O ATOM 415 CB PHE A 32 1.555 14.093 7.700 1.00 0.00 C ATOM 416 CG PHE A 32 2.051 13.646 6.337 1.00 0.00 C ATOM 417 CD1 PHE A 32 3.159 12.780 6.242 1.00 0.00 C ATOM 418 CD2 PHE A 32 1.464 14.154 5.159 1.00 0.00 C ATOM 419 CE1 PHE A 32 3.656 12.398 4.988 1.00 0.00 C ATOM 420 CE2 PHE A 32 2.021 13.830 3.912 1.00 0.00 C ATOM 421 CZ PHE A 32 3.100 12.939 3.817 1.00 0.00 C ATOM 0 H PHE A 32 2.132 11.317 8.385 1.00 0.00 H new ATOM 0 HA PHE A 32 0.542 13.542 9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.804 14.868 7.549 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.389 14.556 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.628 12.408 7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.592 14.788 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.467 11.687 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.614 14.272 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.500 12.671 2.851 1.00 0.00 H new ATOM 431 N ILE A 33 -1.157 12.957 7.336 1.00 0.00 N ATOM 432 CA ILE A 33 -2.337 12.396 6.678 1.00 0.00 C ATOM 433 C ILE A 33 -2.507 13.132 5.348 1.00 0.00 C ATOM 434 O ILE A 33 -2.242 14.334 5.263 1.00 0.00 O ATOM 435 CB ILE A 33 -3.588 12.517 7.588 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.272 11.916 8.980 1.00 0.00 C ATOM 437 CG2 ILE A 33 -4.810 11.858 6.903 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.445 11.850 9.947 1.00 0.00 C ATOM 0 H ILE A 33 -1.106 13.972 7.252 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.212 11.330 6.489 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.848 13.565 7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.881 10.908 8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.478 12.505 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.682 11.948 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.008 12.357 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.601 10.804 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.115 11.414 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.826 12.855 10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.235 11.234 9.519 1.00 0.00 H new ATOM 450 N LEU A 34 -2.968 12.424 4.318 1.00 0.00 N ATOM 451 CA LEU A 34 -3.385 12.970 3.031 1.00 0.00 C ATOM 452 C LEU A 34 -4.774 12.409 2.723 1.00 0.00 C ATOM 453 O LEU A 34 -5.157 11.385 3.294 1.00 0.00 O ATOM 454 CB LEU A 34 -2.382 12.563 1.942 1.00 0.00 C ATOM 455 CG LEU A 34 -0.991 13.199 2.120 1.00 0.00 C ATOM 456 CD1 LEU A 34 0.018 12.502 1.205 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.022 14.693 1.787 1.00 0.00 C ATOM 0 H LEU A 34 -3.065 11.410 4.362 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.418 14.059 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.279 11.478 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.780 12.846 0.968 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.695 13.079 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.001 12.956 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.070 11.444 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.297 12.610 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.027 15.116 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.338 14.829 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.724 15.199 2.450 1.00 0.00 H new ATOM 469 N ASP A 35 -5.530 13.019 1.806 1.00 0.00 N ATOM 470 CA ASP A 35 -6.974 12.781 1.691 1.00 0.00 C ATOM 471 C ASP A 35 -7.326 12.112 0.363 1.00 0.00 C ATOM 472 O ASP A 35 -7.330 12.740 -0.700 1.00 0.00 O ATOM 473 CB ASP A 35 -7.758 14.071 1.960 1.00 0.00 C ATOM 474 CG ASP A 35 -7.670 14.422 3.447 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.298 13.694 4.257 1.00 0.00 O ATOM 476 OD2 ASP A 35 -6.899 15.348 3.793 1.00 0.00 O ATOM 0 H ASP A 35 -5.164 13.686 1.127 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.277 12.072 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.355 14.886 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.800 13.944 1.667 1.00 0.00 H new ATOM 481 N ILE A 36 -7.590 10.803 0.438 1.00 0.00 N ATOM 482 CA ILE A 36 -7.793 9.908 -0.693 1.00 0.00 C ATOM 483 C ILE A 36 -9.202 9.309 -0.613 1.00 0.00 C ATOM 484 O ILE A 36 -9.656 8.915 0.462 1.00 0.00 O ATOM 485 CB ILE A 36 -6.674 8.836 -0.704 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.275 9.445 -0.968 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.944 7.760 -1.760 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.478 9.713 0.310 1.00 0.00 C ATOM 0 H ILE A 36 -7.671 10.322 1.334 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.727 10.446 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.680 8.390 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.707 8.768 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.391 10.379 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.141 7.023 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.893 7.268 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.991 8.222 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.509 10.139 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.026 10.413 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.331 8.778 0.850 1.00 0.00 H new ATOM 500 N THR A 37 -9.878 9.214 -1.756 1.00 0.00 N ATOM 501 CA THR A 37 -11.209 8.651 -1.898 1.00 0.00 C ATOM 502 C THR A 37 -11.102 7.159 -2.213 1.00 0.00 C ATOM 503 O THR A 37 -10.699 6.781 -3.317 1.00 0.00 O ATOM 504 CB THR A 37 -11.985 9.359 -3.021 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.742 10.751 -3.061 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.471 9.173 -2.743 1.00 0.00 C ATOM 0 H THR A 37 -9.493 9.542 -2.642 1.00 0.00 H new ATOM 0 HA THR A 37 -11.747 8.794 -0.961 1.00 0.00 H new ATOM 0 HB THR A 37 -11.664 8.928 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.137 10.956 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.052 9.665 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.708 8.109 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.718 9.612 -1.776 1.00 0.00 H new ATOM 514 N SER A 38 -11.500 6.312 -1.268 1.00 0.00 N ATOM 515 CA SER A 38 -11.377 4.863 -1.384 1.00 0.00 C ATOM 516 C SER A 38 -12.654 4.215 -0.853 1.00 0.00 C ATOM 517 O SER A 38 -12.690 3.774 0.294 1.00 0.00 O ATOM 518 CB SER A 38 -10.114 4.409 -0.635 1.00 0.00 C ATOM 519 OG SER A 38 -8.966 4.968 -1.242 1.00 0.00 O ATOM 0 H SER A 38 -11.922 6.616 -0.391 1.00 0.00 H new ATOM 0 HA SER A 38 -11.265 4.552 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.170 4.717 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.047 3.321 -0.644 1.00 0.00 H new ATOM 0 HG SER A 38 -8.665 4.386 -1.971 1.00 0.00 H new ATOM 525 N TYR A 39 -13.730 4.205 -1.651 1.00 0.00 N ATOM 526 CA TYR A 39 -15.012 3.612 -1.267 1.00 0.00 C ATOM 527 C TYR A 39 -15.875 3.313 -2.491 1.00 0.00 C ATOM 528 O TYR A 39 -15.658 3.882 -3.557 1.00 0.00 O ATOM 529 CB TYR A 39 -15.763 4.556 -0.299 1.00 0.00 C ATOM 530 CG TYR A 39 -16.205 5.904 -0.846 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.413 6.019 -1.560 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.463 7.066 -0.566 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.851 7.271 -2.024 1.00 0.00 C ATOM 534 CE2 TYR A 39 -15.929 8.325 -0.972 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.092 8.432 -1.761 1.00 0.00 C ATOM 536 OH TYR A 39 -17.508 9.647 -2.221 1.00 0.00 O ATOM 0 H TYR A 39 -13.732 4.611 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.810 2.667 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.647 4.033 0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.121 4.735 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.008 5.138 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.526 6.988 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.772 7.345 -2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.394 9.216 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.868 10.337 -1.948 1.00 0.00 H new ATOM 546 N LYS A 40 -16.922 2.499 -2.330 1.00 0.00 N ATOM 547 CA LYS A 40 -17.994 2.337 -3.314 1.00 0.00 C ATOM 548 C LYS A 40 -19.290 2.910 -2.749 1.00 0.00 C ATOM 549 O LYS A 40 -19.460 2.932 -1.530 1.00 0.00 O ATOM 550 CB LYS A 40 -18.067 0.872 -3.768 1.00 0.00 C ATOM 551 CG LYS A 40 -18.402 -0.187 -2.712 1.00 0.00 C ATOM 552 CD LYS A 40 -19.913 -0.321 -2.485 1.00 0.00 C ATOM 553 CE LYS A 40 -20.171 -1.677 -1.833 1.00 0.00 C ATOM 554 NZ LYS A 40 -21.596 -1.964 -1.583 1.00 0.00 N ATOM 0 H LYS A 40 -17.050 1.924 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.793 2.906 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.813 0.803 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.106 0.610 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.996 -1.149 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.917 0.074 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.276 0.485 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.449 -0.244 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.761 -2.459 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.631 -1.722 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.680 -2.682 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.078 -1.093 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.037 -2.319 -2.455 1.00 0.00 H new ATOM 568 N LYS A 41 -20.191 3.382 -3.615 1.00 0.00 N ATOM 569 CA LYS A 41 -21.509 3.936 -3.305 1.00 0.00 C ATOM 570 C LYS A 41 -22.566 3.126 -4.031 1.00 0.00 C ATOM 571 O LYS A 41 -22.468 2.988 -5.251 1.00 0.00 O ATOM 572 CB LYS A 41 -21.581 5.387 -3.794 1.00 0.00 C ATOM 573 CG LYS A 41 -22.947 6.031 -3.521 1.00 0.00 C ATOM 574 CD LYS A 41 -22.923 7.538 -3.809 1.00 0.00 C ATOM 575 CE LYS A 41 -23.097 8.293 -2.486 1.00 0.00 C ATOM 576 NZ LYS A 41 -23.065 9.756 -2.653 1.00 0.00 N ATOM 0 H LYS A 41 -20.005 3.387 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.676 3.900 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.803 5.972 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.376 5.417 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.707 5.553 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.229 5.862 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.982 7.817 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.720 7.803 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.045 8.005 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.308 7.994 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.187 10.214 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.151 10.039 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.834 10.050 -3.289 1.00 0.00 H new ATOM 590 N THR A 42 -23.553 2.613 -3.307 1.00 0.00 N ATOM 591 CA THR A 42 -24.703 1.916 -3.870 1.00 0.00 C ATOM 592 C THR A 42 -25.768 1.748 -2.780 1.00 0.00 C ATOM 593 O THR A 42 -25.482 1.853 -1.576 1.00 0.00 O ATOM 594 CB THR A 42 -24.259 0.588 -4.525 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.323 -0.162 -5.052 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.471 -0.329 -3.588 1.00 0.00 C ATOM 0 H THR A 42 -23.577 2.671 -2.289 1.00 0.00 H new ATOM 0 HA THR A 42 -25.157 2.500 -4.671 1.00 0.00 H new ATOM 0 HB THR A 42 -23.611 0.924 -5.334 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.976 -0.986 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.194 -1.240 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.569 0.183 -3.251 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.087 -0.584 -2.726 1.00 0.00 H new ATOM 604 N GLY A 43 -26.997 1.466 -3.219 1.00 0.00 N ATOM 605 CA GLY A 43 -28.197 1.421 -2.414 1.00 0.00 C ATOM 606 C GLY A 43 -28.409 2.765 -1.739 1.00 0.00 C ATOM 607 O GLY A 43 -28.876 3.717 -2.369 1.00 0.00 O ATOM 0 H GLY A 43 -27.180 1.253 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.057 1.177 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.114 0.635 -1.663 1.00 0.00 H new ATOM 611 N ASN A 44 -28.065 2.844 -0.457 1.00 0.00 N ATOM 612 CA ASN A 44 -28.252 4.017 0.385 1.00 0.00 C ATOM 613 C ASN A 44 -27.068 4.180 1.345 1.00 0.00 C ATOM 614 O ASN A 44 -27.249 4.487 2.528 1.00 0.00 O ATOM 615 CB ASN A 44 -29.585 3.879 1.139 1.00 0.00 C ATOM 616 CG ASN A 44 -30.166 5.234 1.520 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.497 6.265 1.497 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.452 5.272 1.812 1.00 0.00 N ATOM 0 H ASN A 44 -27.633 2.065 0.040 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.291 4.917 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.300 3.340 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.433 3.283 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.901 6.163 2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -31.997 4.410 1.828 1.00 0.00 H new ATOM 625 N SER A 45 -25.855 3.852 0.895 1.00 0.00 N ATOM 626 CA SER A 45 -24.641 3.943 1.694 1.00 0.00 C ATOM 627 C SER A 45 -23.417 4.086 0.792 1.00 0.00 C ATOM 628 O SER A 45 -23.457 3.762 -0.400 1.00 0.00 O ATOM 629 CB SER A 45 -24.449 2.666 2.528 1.00 0.00 C ATOM 630 OG SER A 45 -25.651 2.072 2.978 1.00 0.00 O ATOM 0 H SER A 45 -25.691 3.510 -0.052 1.00 0.00 H new ATOM 0 HA SER A 45 -24.742 4.813 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 45 -23.900 1.937 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.829 2.902 3.393 1.00 0.00 H new ATOM 0 HG SER A 45 -25.444 1.267 3.498 1.00 0.00 H new ATOM 636 N THR A 46 -22.287 4.393 1.414 1.00 0.00 N ATOM 637 CA THR A 46 -20.964 4.128 0.929 1.00 0.00 C ATOM 638 C THR A 46 -20.344 3.137 1.905 1.00 0.00 C ATOM 639 O THR A 46 -20.778 2.999 3.050 1.00 0.00 O ATOM 640 CB THR A 46 -20.160 5.431 0.793 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.275 6.240 1.939 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.672 6.217 -0.411 1.00 0.00 C ATOM 0 H THR A 46 -22.283 4.860 2.321 1.00 0.00 H new ATOM 0 HA THR A 46 -20.972 3.699 -0.073 1.00 0.00 H new ATOM 0 HB THR A 46 -19.112 5.161 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.749 7.058 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.104 7.142 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.552 5.619 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.727 6.453 -0.270 1.00 0.00 H new ATOM 650 N LYS A 47 -19.372 2.392 1.419 1.00 0.00 N ATOM 651 CA LYS A 47 -18.530 1.475 2.179 1.00 0.00 C ATOM 652 C LYS A 47 -17.114 1.647 1.649 1.00 0.00 C ATOM 653 O LYS A 47 -16.913 1.540 0.435 1.00 0.00 O ATOM 654 CB LYS A 47 -19.063 0.039 2.034 1.00 0.00 C ATOM 655 CG LYS A 47 -18.154 -1.015 2.683 1.00 0.00 C ATOM 656 CD LYS A 47 -18.773 -2.420 2.664 1.00 0.00 C ATOM 657 CE LYS A 47 -19.778 -2.651 3.806 1.00 0.00 C ATOM 658 NZ LYS A 47 -20.205 -4.065 3.878 1.00 0.00 N ATOM 0 H LYS A 47 -19.131 2.407 0.428 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.538 1.688 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.054 -0.020 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.178 -0.193 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.198 -1.036 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.948 -0.727 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.275 -2.577 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.978 -3.162 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.326 -2.358 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.650 -2.014 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.882 -4.184 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.658 -4.337 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.376 -4.670 4.044 1.00 0.00 H new ATOM 672 N ALA A 48 -16.176 2.002 2.525 1.00 0.00 N ATOM 673 CA ALA A 48 -14.765 2.095 2.186 1.00 0.00 C ATOM 674 C ALA A 48 -14.221 0.708 1.849 1.00 0.00 C ATOM 675 O ALA A 48 -14.777 -0.298 2.300 1.00 0.00 O ATOM 676 CB ALA A 48 -13.982 2.743 3.333 1.00 0.00 C ATOM 0 H ALA A 48 -16.380 2.234 3.497 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.646 2.729 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.928 2.805 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.369 3.745 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.091 2.140 4.234 1.00 0.00 H new ATOM 682 N LEU A 49 -13.116 0.662 1.104 1.00 0.00 N ATOM 683 CA LEU A 49 -12.355 -0.560 0.882 1.00 0.00 C ATOM 684 C LEU A 49 -10.947 -0.313 1.378 1.00 0.00 C ATOM 685 O LEU A 49 -10.389 0.761 1.139 1.00 0.00 O ATOM 686 CB LEU A 49 -12.286 -0.959 -0.600 1.00 0.00 C ATOM 687 CG LEU A 49 -13.624 -1.238 -1.291 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.392 -1.428 -2.786 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.313 -2.459 -0.674 1.00 0.00 C ATOM 0 H LEU A 49 -12.724 1.479 0.636 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.851 -1.373 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.779 -0.163 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.664 -1.850 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.288 -0.386 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.343 -1.627 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.949 -0.524 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.718 -2.270 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.261 -2.637 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.672 -3.334 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.497 -2.277 0.385 1.00 0.00 H new ATOM 701 N SER A 50 -10.380 -1.335 2.006 1.00 0.00 N ATOM 702 CA SER A 50 -8.995 -1.354 2.421 1.00 0.00 C ATOM 703 C SER A 50 -8.086 -1.382 1.193 1.00 0.00 C ATOM 704 O SER A 50 -8.527 -1.584 0.056 1.00 0.00 O ATOM 705 CB SER A 50 -8.771 -2.574 3.321 1.00 0.00 C ATOM 706 OG SER A 50 -9.510 -2.438 4.521 1.00 0.00 O ATOM 0 H SER A 50 -10.886 -2.188 2.243 1.00 0.00 H new ATOM 0 HA SER A 50 -8.752 -0.454 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.075 -3.481 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.710 -2.678 3.548 1.00 0.00 H new ATOM 0 HG SER A 50 -9.361 -3.224 5.088 1.00 0.00 H new ATOM 712 N TRP A 51 -6.795 -1.207 1.439 1.00 0.00 N ATOM 713 CA TRP A 51 -5.737 -1.404 0.473 1.00 0.00 C ATOM 714 C TRP A 51 -4.572 -2.105 1.151 1.00 0.00 C ATOM 715 O TRP A 51 -4.570 -2.299 2.373 1.00 0.00 O ATOM 716 CB TRP A 51 -5.331 -0.054 -0.142 1.00 0.00 C ATOM 717 CG TRP A 51 -4.960 1.070 0.776 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.713 1.384 1.193 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.824 2.127 1.280 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.741 2.580 1.882 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.005 3.131 1.872 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.213 2.368 1.237 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.525 4.366 2.281 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.753 3.569 1.728 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.909 4.588 2.200 1.00 0.00 C ATOM 0 H TRP A 51 -6.449 -0.913 2.352 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.080 -2.037 -0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.484 -0.233 -0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.157 0.287 -0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.829 0.790 1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.932 3.001 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.871 1.619 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.869 5.138 2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.824 3.709 1.743 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.323 5.539 2.500 1.00 0.00 H new ATOM 736 N ASN A 52 -3.573 -2.450 0.350 1.00 0.00 N ATOM 737 CA ASN A 52 -2.214 -2.655 0.806 1.00 0.00 C ATOM 738 C ASN A 52 -1.397 -1.486 0.321 1.00 0.00 C ATOM 739 O ASN A 52 -1.664 -0.947 -0.753 1.00 0.00 O ATOM 740 CB ASN A 52 -1.621 -3.939 0.221 1.00 0.00 C ATOM 741 CG ASN A 52 -1.877 -5.065 1.186 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.989 -5.439 1.948 1.00 0.00 O ATOM 743 ND2 ASN A 52 -3.104 -5.544 1.245 1.00 0.00 N ATOM 0 H ASN A 52 -3.692 -2.597 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.205 -2.739 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.073 -4.159 -0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.551 -3.820 0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.343 -6.250 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.814 -5.208 0.595 1.00 0.00 H new ATOM 750 N ALA A 53 -0.360 -1.163 1.079 1.00 0.00 N ATOM 751 CA ALA A 53 0.807 -0.439 0.609 1.00 0.00 C ATOM 752 C ALA A 53 2.009 -1.312 0.946 1.00 0.00 C ATOM 753 O ALA A 53 1.991 -2.001 1.975 1.00 0.00 O ATOM 754 CB ALA A 53 0.888 0.934 1.280 1.00 0.00 C ATOM 0 H ALA A 53 -0.308 -1.406 2.068 1.00 0.00 H new ATOM 0 HA ALA A 53 0.766 -0.249 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.768 1.465 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.007 1.509 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.960 0.807 2.360 1.00 0.00 H new ATOM 760 N SER A 54 3.031 -1.286 0.091 1.00 0.00 N ATOM 761 CA SER A 54 4.177 -2.181 0.219 1.00 0.00 C ATOM 762 C SER A 54 5.363 -1.522 -0.462 1.00 0.00 C ATOM 763 O SER A 54 5.272 -1.145 -1.636 1.00 0.00 O ATOM 764 CB SER A 54 3.912 -3.543 -0.429 1.00 0.00 C ATOM 765 OG SER A 54 2.708 -4.154 0.003 1.00 0.00 O ATOM 0 H SER A 54 3.087 -0.649 -0.703 1.00 0.00 H new ATOM 0 HA SER A 54 4.372 -2.355 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.879 -3.420 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.746 -4.209 -0.209 1.00 0.00 H new ATOM 0 HG SER A 54 2.599 -5.017 -0.449 1.00 0.00 H new ATOM 771 N GLY A 55 6.452 -1.359 0.281 1.00 0.00 N ATOM 772 CA GLY A 55 7.467 -0.361 0.003 1.00 0.00 C ATOM 773 C GLY A 55 8.836 -0.818 0.462 1.00 0.00 C ATOM 774 O GLY A 55 9.081 -2.013 0.640 1.00 0.00 O ATOM 0 H GLY A 55 6.653 -1.927 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.491 -0.154 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.207 0.572 0.503 1.00 0.00 H new ATOM 778 N ASP A 56 9.742 0.143 0.612 1.00 0.00 N ATOM 779 CA ASP A 56 11.162 -0.120 0.879 1.00 0.00 C ATOM 780 C ASP A 56 11.503 -0.088 2.365 1.00 0.00 C ATOM 781 O ASP A 56 12.656 0.063 2.755 1.00 0.00 O ATOM 782 CB ASP A 56 12.016 0.847 0.052 1.00 0.00 C ATOM 783 CG ASP A 56 13.132 0.205 -0.766 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.184 -1.040 -0.907 1.00 0.00 O ATOM 785 OD2 ASP A 56 13.836 0.988 -1.438 1.00 0.00 O ATOM 0 H ASP A 56 9.515 1.136 0.552 1.00 0.00 H new ATOM 0 HA ASP A 56 11.390 -1.140 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.361 1.393 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.459 1.580 0.726 1.00 0.00 H new ATOM 790 N SER A 57 10.461 -0.232 3.175 1.00 0.00 N ATOM 791 CA SER A 57 10.417 -0.477 4.614 1.00 0.00 C ATOM 792 C SER A 57 10.717 0.746 5.485 1.00 0.00 C ATOM 793 O SER A 57 10.731 0.632 6.713 1.00 0.00 O ATOM 794 CB SER A 57 11.325 -1.661 4.959 1.00 0.00 C ATOM 795 OG SER A 57 10.999 -2.796 4.173 1.00 0.00 O ATOM 0 H SER A 57 9.516 -0.173 2.795 1.00 0.00 H new ATOM 0 HA SER A 57 9.383 -0.721 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.367 -1.386 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.225 -1.905 6.017 1.00 0.00 H new ATOM 0 HG SER A 57 11.593 -3.539 4.409 1.00 0.00 H new ATOM 801 N TRP A 58 10.824 1.932 4.884 1.00 0.00 N ATOM 802 CA TRP A 58 10.918 3.200 5.610 1.00 0.00 C ATOM 803 C TRP A 58 9.673 4.075 5.423 1.00 0.00 C ATOM 804 O TRP A 58 9.680 5.238 5.832 1.00 0.00 O ATOM 805 CB TRP A 58 12.188 3.942 5.188 1.00 0.00 C ATOM 806 CG TRP A 58 12.264 4.358 3.747 1.00 0.00 C ATOM 807 CD1 TRP A 58 12.392 3.521 2.693 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.173 5.703 3.179 1.00 0.00 C ATOM 809 NE1 TRP A 58 12.522 4.265 1.538 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.459 5.618 1.786 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.849 6.982 3.684 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.557 6.752 0.966 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.893 8.125 2.860 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.284 8.014 1.514 1.00 0.00 C ATOM 0 H TRP A 58 10.848 2.041 3.870 1.00 0.00 H new ATOM 0 HA TRP A 58 10.973 2.974 6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.286 4.833 5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.045 3.306 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 58 12.392 2.442 2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.650 3.861 0.610 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.562 7.086 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.839 6.655 -0.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.625 9.090 3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.374 8.900 0.903 1.00 0.00 H new ATOM 825 N ILE A 59 8.623 3.551 4.780 1.00 0.00 N ATOM 826 CA ILE A 59 7.442 4.301 4.360 1.00 0.00 C ATOM 827 C ILE A 59 6.223 3.459 4.730 1.00 0.00 C ATOM 828 O ILE A 59 6.253 2.236 4.563 1.00 0.00 O ATOM 829 CB ILE A 59 7.482 4.602 2.839 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.839 5.144 2.324 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.364 5.608 2.518 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.983 5.130 0.796 1.00 0.00 C ATOM 0 H ILE A 59 8.574 2.563 4.532 1.00 0.00 H new ATOM 0 HA ILE A 59 7.402 5.268 4.861 1.00 0.00 H new ATOM 0 HB ILE A 59 7.338 3.652 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.968 6.166 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.643 4.551 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.373 5.835 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.399 5.179 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.526 6.525 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.960 5.525 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.888 4.107 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.203 5.748 0.351 1.00 0.00 H new ATOM 844 N HIS A 60 5.166 4.114 5.206 1.00 0.00 N ATOM 845 CA HIS A 60 3.943 3.532 5.734 1.00 0.00 C ATOM 846 C HIS A 60 2.762 4.304 5.135 1.00 0.00 C ATOM 847 O HIS A 60 2.826 5.531 5.013 1.00 0.00 O ATOM 848 CB HIS A 60 3.972 3.672 7.264 1.00 0.00 C ATOM 849 CG HIS A 60 5.044 2.858 7.955 1.00 0.00 C ATOM 850 ND1 HIS A 60 4.840 1.661 8.599 1.00 0.00 N ATOM 851 CD2 HIS A 60 6.376 3.166 8.084 1.00 0.00 C ATOM 852 CE1 HIS A 60 6.009 1.254 9.108 1.00 0.00 C ATOM 853 NE2 HIS A 60 6.983 2.126 8.798 1.00 0.00 N ATOM 0 H HIS A 60 5.144 5.133 5.233 1.00 0.00 H new ATOM 0 HA HIS A 60 3.848 2.477 5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.114 4.723 7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.000 3.378 7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.866 4.050 7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.149 0.353 9.686 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.972 2.046 9.036 1.00 0.00 H new ATOM 861 N VAL A 61 1.678 3.614 4.774 1.00 0.00 N ATOM 862 CA VAL A 61 0.436 4.226 4.312 1.00 0.00 C ATOM 863 C VAL A 61 -0.694 3.391 4.897 1.00 0.00 C ATOM 864 O VAL A 61 -0.895 2.241 4.492 1.00 0.00 O ATOM 865 CB VAL A 61 0.328 4.316 2.776 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.932 5.115 2.395 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.556 4.953 2.109 1.00 0.00 C ATOM 0 H VAL A 61 1.641 2.595 4.796 1.00 0.00 H new ATOM 0 HA VAL A 61 0.392 5.262 4.648 1.00 0.00 H new ATOM 0 HB VAL A 61 0.268 3.292 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.008 5.179 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.815 4.614 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.866 6.119 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.409 4.983 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.689 5.967 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.442 4.362 2.338 1.00 0.00 H new ATOM 877 N ASN A 62 -1.403 3.980 5.853 1.00 0.00 N ATOM 878 CA ASN A 62 -2.535 3.388 6.539 1.00 0.00 C ATOM 879 C ASN A 62 -3.830 3.828 5.867 1.00 0.00 C ATOM 880 O ASN A 62 -3.845 4.768 5.068 1.00 0.00 O ATOM 881 CB ASN A 62 -2.536 3.842 8.007 1.00 0.00 C ATOM 882 CG ASN A 62 -2.683 2.664 8.950 1.00 0.00 C ATOM 883 OD1 ASN A 62 -3.706 1.986 8.936 1.00 0.00 O ATOM 884 ND2 ASN A 62 -1.699 2.449 9.809 1.00 0.00 N ATOM 0 H ASN A 62 -1.192 4.922 6.182 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.459 2.302 6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.609 4.372 8.226 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.352 4.546 8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.775 1.696 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.865 3.036 9.787 1.00 0.00 H new ATOM 891 N GLY A 63 -4.944 3.234 6.295 1.00 0.00 N ATOM 892 CA GLY A 63 -6.263 3.429 5.706 1.00 0.00 C ATOM 893 C GLY A 63 -6.767 4.873 5.744 1.00 0.00 C ATOM 894 O GLY A 63 -7.759 5.182 5.088 1.00 0.00 O ATOM 0 H GLY A 63 -4.951 2.586 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.237 3.094 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.978 2.794 6.229 1.00 0.00 H new ATOM 898 N SER A 64 -6.124 5.761 6.510 1.00 0.00 N ATOM 899 CA SER A 64 -6.370 7.201 6.505 1.00 0.00 C ATOM 900 C SER A 64 -5.133 7.960 7.015 1.00 0.00 C ATOM 901 O SER A 64 -5.293 8.904 7.788 1.00 0.00 O ATOM 902 CB SER A 64 -7.580 7.554 7.386 1.00 0.00 C ATOM 903 OG SER A 64 -8.621 6.586 7.399 1.00 0.00 O ATOM 0 H SER A 64 -5.396 5.485 7.170 1.00 0.00 H new ATOM 0 HA SER A 64 -6.580 7.498 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.233 7.705 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.993 8.504 7.045 1.00 0.00 H new ATOM 0 HG SER A 64 -9.345 6.892 7.984 1.00 0.00 H new ATOM 909 N SER A 65 -3.909 7.496 6.735 1.00 0.00 N ATOM 910 CA SER A 65 -2.715 8.064 7.359 1.00 0.00 C ATOM 911 C SER A 65 -1.480 7.731 6.512 1.00 0.00 C ATOM 912 O SER A 65 -1.530 6.803 5.700 1.00 0.00 O ATOM 913 CB SER A 65 -2.630 7.483 8.779 1.00 0.00 C ATOM 914 OG SER A 65 -1.802 8.239 9.617 1.00 0.00 O ATOM 0 H SER A 65 -3.723 6.733 6.084 1.00 0.00 H new ATOM 0 HA SER A 65 -2.763 9.151 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.630 7.435 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.255 6.461 8.728 1.00 0.00 H new ATOM 0 HG SER A 65 -1.780 7.833 10.509 1.00 0.00 H new ATOM 920 N VAL A 66 -0.366 8.443 6.693 1.00 0.00 N ATOM 921 CA VAL A 66 0.875 8.247 5.945 1.00 0.00 C ATOM 922 C VAL A 66 2.072 8.632 6.820 1.00 0.00 C ATOM 923 O VAL A 66 2.030 9.640 7.525 1.00 0.00 O ATOM 924 CB VAL A 66 0.811 9.049 4.623 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.401 10.520 4.789 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.133 9.004 3.854 1.00 0.00 C ATOM 0 H VAL A 66 -0.302 9.192 7.383 1.00 0.00 H new ATOM 0 HA VAL A 66 1.001 7.197 5.680 1.00 0.00 H new ATOM 0 HB VAL A 66 0.027 8.545 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.382 11.005 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.590 10.573 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.120 11.028 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.039 9.581 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.926 9.429 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.377 7.970 3.610 1.00 0.00 H new ATOM 936 N SER A 67 3.160 7.868 6.772 1.00 0.00 N ATOM 937 CA SER A 67 4.396 8.242 7.448 1.00 0.00 C ATOM 938 C SER A 67 5.579 7.824 6.588 1.00 0.00 C ATOM 939 O SER A 67 5.491 6.863 5.819 1.00 0.00 O ATOM 940 CB SER A 67 4.482 7.581 8.833 1.00 0.00 C ATOM 941 OG SER A 67 3.289 7.767 9.572 1.00 0.00 O ATOM 0 H SER A 67 3.209 6.982 6.269 1.00 0.00 H new ATOM 0 HA SER A 67 4.412 9.322 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.677 6.515 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.323 8.000 9.386 1.00 0.00 H new ATOM 0 HG SER A 67 3.375 7.334 10.447 1.00 0.00 H new ATOM 947 N TYR A 68 6.702 8.506 6.756 1.00 0.00 N ATOM 948 CA TYR A 68 8.011 8.027 6.354 1.00 0.00 C ATOM 949 C TYR A 68 9.004 8.535 7.381 1.00 0.00 C ATOM 950 O TYR A 68 8.756 9.541 8.049 1.00 0.00 O ATOM 951 CB TYR A 68 8.378 8.443 4.920 1.00 0.00 C ATOM 952 CG TYR A 68 7.903 9.803 4.441 1.00 0.00 C ATOM 953 CD1 TYR A 68 8.699 10.948 4.629 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.694 9.901 3.729 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.297 12.190 4.101 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.296 11.126 3.173 1.00 0.00 C ATOM 957 CZ TYR A 68 7.094 12.281 3.360 1.00 0.00 C ATOM 958 OH TYR A 68 6.695 13.464 2.820 1.00 0.00 O ATOM 0 H TYR A 68 6.726 9.430 7.187 1.00 0.00 H new ATOM 0 HA TYR A 68 8.021 6.937 6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.464 8.415 4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.982 7.689 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.624 10.874 5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.069 9.029 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.904 13.069 4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.381 11.188 2.602 1.00 0.00 H new ATOM 0 HH TYR A 68 5.847 13.337 2.345 1.00 0.00 H new ATOM 968 N ASP A 69 10.107 7.811 7.510 1.00 0.00 N ATOM 969 CA ASP A 69 11.289 8.273 8.226 1.00 0.00 C ATOM 970 C ASP A 69 12.203 8.938 7.192 1.00 0.00 C ATOM 971 O ASP A 69 11.789 9.214 6.062 1.00 0.00 O ATOM 972 CB ASP A 69 11.966 7.100 8.965 1.00 0.00 C ATOM 973 CG ASP A 69 11.107 6.510 10.093 1.00 0.00 C ATOM 974 OD1 ASP A 69 10.238 7.207 10.651 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.226 5.283 10.328 1.00 0.00 O ATOM 0 H ASP A 69 10.208 6.876 7.116 1.00 0.00 H new ATOM 0 HA ASP A 69 11.036 8.998 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.198 6.314 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.914 7.442 9.381 1.00 0.00 H new ATOM 980 N GLU A 70 13.458 9.187 7.549 1.00 0.00 N ATOM 981 CA GLU A 70 14.487 9.593 6.603 1.00 0.00 C ATOM 982 C GLU A 70 15.604 8.543 6.588 1.00 0.00 C ATOM 983 O GLU A 70 15.648 7.595 7.386 1.00 0.00 O ATOM 984 CB GLU A 70 14.966 11.020 6.928 1.00 0.00 C ATOM 985 CG GLU A 70 14.116 12.066 6.193 1.00 0.00 C ATOM 986 CD GLU A 70 14.433 13.511 6.604 1.00 0.00 C ATOM 987 OE1 GLU A 70 14.425 13.820 7.818 1.00 0.00 O ATOM 988 OE2 GLU A 70 14.785 14.332 5.724 1.00 0.00 O ATOM 0 H GLU A 70 13.791 9.112 8.510 1.00 0.00 H new ATOM 0 HA GLU A 70 14.091 9.637 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.909 11.190 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.012 11.130 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.271 11.960 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.062 11.865 6.384 1.00 0.00 H new ATOM 995 N ASN A 71 16.496 8.685 5.620 1.00 0.00 N ATOM 996 CA ASN A 71 17.596 7.767 5.324 1.00 0.00 C ATOM 997 C ASN A 71 18.818 8.014 6.223 1.00 0.00 C ATOM 998 O ASN A 71 19.032 9.117 6.707 1.00 0.00 O ATOM 999 CB ASN A 71 17.981 7.868 3.837 1.00 0.00 C ATOM 1000 CG ASN A 71 18.464 9.245 3.399 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.080 10.248 3.977 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.227 9.338 2.325 1.00 0.00 N ATOM 0 H ASN A 71 16.475 9.483 4.985 1.00 0.00 H new ATOM 0 HA ASN A 71 17.249 6.756 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.764 7.139 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.118 7.591 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.501 10.255 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.543 8.493 1.849 1.00 0.00 H new ATOM 1009 N PRO A 72 19.663 7.000 6.460 1.00 0.00 N ATOM 1010 CA PRO A 72 20.843 7.101 7.329 1.00 0.00 C ATOM 1011 C PRO A 72 22.132 7.558 6.620 1.00 0.00 C ATOM 1012 O PRO A 72 23.175 7.674 7.273 1.00 0.00 O ATOM 1013 CB PRO A 72 21.028 5.675 7.844 1.00 0.00 C ATOM 1014 CG PRO A 72 20.595 4.843 6.640 1.00 0.00 C ATOM 1015 CD PRO A 72 19.396 5.611 6.122 1.00 0.00 C ATOM 0 HA PRO A 72 20.677 7.858 8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.061 5.475 8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.412 5.475 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.384 4.771 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.332 3.824 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.280 5.482 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.474 5.262 6.586 1.00 0.00 H new ATOM 1023 N ALA A 73 22.111 7.733 5.296 1.00 0.00 N ATOM 1024 CA ALA A 73 23.246 8.243 4.526 1.00 0.00 C ATOM 1025 C ALA A 73 22.880 9.603 3.935 1.00 0.00 C ATOM 1026 O ALA A 73 21.712 9.973 3.907 1.00 0.00 O ATOM 1027 CB ALA A 73 23.622 7.242 3.427 1.00 0.00 C ATOM 0 H ALA A 73 21.294 7.521 4.723 1.00 0.00 H new ATOM 0 HA ALA A 73 24.112 8.368 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.468 7.628 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.894 6.289 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.772 7.097 2.761 1.00 0.00 H new ATOM 1033 N LYS A 74 23.870 10.334 3.412 1.00 0.00 N ATOM 1034 CA LYS A 74 23.727 11.733 3.006 1.00 0.00 C ATOM 1035 C LYS A 74 23.354 11.889 1.533 1.00 0.00 C ATOM 1036 O LYS A 74 23.208 13.006 1.041 1.00 0.00 O ATOM 1037 CB LYS A 74 25.019 12.499 3.316 1.00 0.00 C ATOM 1038 CG LYS A 74 25.616 12.103 4.677 1.00 0.00 C ATOM 1039 CD LYS A 74 26.788 11.110 4.572 1.00 0.00 C ATOM 1040 CE LYS A 74 27.896 11.431 5.581 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.494 12.769 5.380 1.00 0.00 N ATOM 0 H LYS A 74 24.807 9.963 3.257 1.00 0.00 H new ATOM 0 HA LYS A 74 22.902 12.153 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.750 12.308 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.816 13.570 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.958 13.002 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.832 11.663 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.423 10.097 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 74 27.197 11.136 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 74 27.489 11.369 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.678 10.675 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.478 12.764 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.476 13.009 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.949 13.476 5.913 1.00 0.00 H new ATOM 1055 N GLU A 75 23.274 10.781 0.803 1.00 0.00 N ATOM 1056 CA GLU A 75 22.912 10.801 -0.606 1.00 0.00 C ATOM 1057 C GLU A 75 21.404 10.987 -0.776 1.00 0.00 C ATOM 1058 O GLU A 75 20.642 10.777 0.169 1.00 0.00 O ATOM 1059 CB GLU A 75 23.415 9.533 -1.308 1.00 0.00 C ATOM 1060 CG GLU A 75 24.946 9.546 -1.368 1.00 0.00 C ATOM 1061 CD GLU A 75 25.475 8.750 -2.558 1.00 0.00 C ATOM 1062 OE1 GLU A 75 25.359 7.504 -2.563 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.979 9.389 -3.515 1.00 0.00 O ATOM 0 H GLU A 75 23.458 9.848 1.172 1.00 0.00 H new ATOM 0 HA GLU A 75 23.398 11.654 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.070 8.649 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.003 9.476 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.298 10.575 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.349 9.130 -0.445 1.00 0.00 H new ATOM 1070 N ARG A 76 20.985 11.347 -1.992 1.00 0.00 N ATOM 1071 CA ARG A 76 19.591 11.443 -2.397 1.00 0.00 C ATOM 1072 C ARG A 76 19.208 10.134 -3.084 1.00 0.00 C ATOM 1073 O ARG A 76 19.950 9.669 -3.961 1.00 0.00 O ATOM 1074 CB ARG A 76 19.436 12.624 -3.383 1.00 0.00 C ATOM 1075 CG ARG A 76 18.610 13.800 -2.835 1.00 0.00 C ATOM 1076 CD ARG A 76 17.909 14.635 -3.923 1.00 0.00 C ATOM 1077 NE ARG A 76 18.728 15.762 -4.398 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.788 16.978 -3.840 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.004 17.291 -2.817 1.00 0.00 N ATOM 1080 NH2 ARG A 76 19.643 17.871 -4.316 1.00 0.00 N ATOM 0 H ARG A 76 21.633 11.586 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 76 18.945 11.613 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.427 12.987 -3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 76 18.967 12.260 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.858 13.413 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 19.265 14.452 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.664 13.990 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.967 15.018 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 76 19.301 15.603 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.348 16.603 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.057 18.220 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.248 17.630 -5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.696 18.800 -3.898 1.00 0.00 H new ATOM 1094 N ARG A 77 18.048 9.560 -2.772 1.00 0.00 N ATOM 1095 CA ARG A 77 17.448 8.416 -3.448 1.00 0.00 C ATOM 1096 C ARG A 77 15.945 8.658 -3.403 1.00 0.00 C ATOM 1097 O ARG A 77 15.373 8.726 -2.314 1.00 0.00 O ATOM 1098 CB ARG A 77 17.764 7.074 -2.750 1.00 0.00 C ATOM 1099 CG ARG A 77 19.224 6.777 -2.385 1.00 0.00 C ATOM 1100 CD ARG A 77 19.313 5.354 -1.798 1.00 0.00 C ATOM 1101 NE ARG A 77 20.414 5.206 -0.835 1.00 0.00 N ATOM 1102 CZ ARG A 77 21.723 5.177 -1.101 1.00 0.00 C ATOM 1103 NH1 ARG A 77 22.169 5.301 -2.347 1.00 0.00 N ATOM 1104 NH2 ARG A 77 22.598 5.049 -0.113 1.00 0.00 N ATOM 0 H ARG A 77 17.473 9.899 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 77 17.845 8.336 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.175 7.028 -1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.412 6.270 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.858 6.861 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 77 19.587 7.507 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.371 5.108 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.446 4.638 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 77 20.149 5.115 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.509 5.420 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 77 23.171 5.277 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.272 4.973 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.597 5.027 -0.316 1.00 0.00 H new ATOM 1118 N THR A 78 15.300 8.768 -4.560 1.00 0.00 N ATOM 1119 CA THR A 78 13.847 8.831 -4.632 1.00 0.00 C ATOM 1120 C THR A 78 13.276 7.557 -4.001 1.00 0.00 C ATOM 1121 O THR A 78 13.634 6.449 -4.416 1.00 0.00 O ATOM 1122 CB THR A 78 13.422 8.995 -6.100 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.000 10.174 -6.642 1.00 0.00 O ATOM 1124 CG2 THR A 78 11.901 9.030 -6.278 1.00 0.00 C ATOM 0 H THR A 78 15.766 8.816 -5.466 1.00 0.00 H new ATOM 0 HA THR A 78 13.458 9.688 -4.081 1.00 0.00 H new ATOM 0 HB THR A 78 13.786 8.119 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.727 10.272 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.661 9.147 -7.335 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.470 8.099 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.488 9.868 -5.717 1.00 0.00 H new ATOM 1132 N GLY A 79 12.415 7.702 -2.993 1.00 0.00 N ATOM 1133 CA GLY A 79 11.637 6.597 -2.475 1.00 0.00 C ATOM 1134 C GLY A 79 10.564 6.185 -3.478 1.00 0.00 C ATOM 1135 O GLY A 79 10.082 7.009 -4.260 1.00 0.00 O ATOM 0 H GLY A 79 12.244 8.589 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.291 5.751 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.171 6.882 -1.532 1.00 0.00 H new ATOM 1139 N LEU A 80 10.155 4.921 -3.414 1.00 0.00 N ATOM 1140 CA LEU A 80 9.114 4.330 -4.233 1.00 0.00 C ATOM 1141 C LEU A 80 8.393 3.275 -3.401 1.00 0.00 C ATOM 1142 O LEU A 80 8.983 2.268 -2.996 1.00 0.00 O ATOM 1143 CB LEU A 80 9.717 3.707 -5.507 1.00 0.00 C ATOM 1144 CG LEU A 80 8.638 3.242 -6.508 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.945 4.434 -7.187 1.00 0.00 C ATOM 1146 CD2 LEU A 80 9.244 2.335 -7.584 1.00 0.00 C ATOM 0 H LEU A 80 10.562 4.255 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 80 8.406 5.096 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.367 4.436 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.342 2.857 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 80 7.896 2.683 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.192 4.068 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.467 5.056 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.684 5.025 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.463 2.021 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.014 2.881 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.686 1.457 -7.113 1.00 0.00 H new ATOM 1158 N VAL A 81 7.106 3.498 -3.174 1.00 0.00 N ATOM 1159 CA VAL A 81 6.133 2.534 -2.670 1.00 0.00 C ATOM 1160 C VAL A 81 4.881 2.702 -3.529 1.00 0.00 C ATOM 1161 O VAL A 81 4.767 3.658 -4.309 1.00 0.00 O ATOM 1162 CB VAL A 81 5.944 2.702 -1.138 1.00 0.00 C ATOM 1163 CG1 VAL A 81 5.820 4.164 -0.729 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.744 1.999 -0.485 1.00 0.00 C ATOM 0 H VAL A 81 6.686 4.411 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 81 6.457 1.497 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 81 6.852 2.219 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.689 4.230 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.723 4.701 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.958 4.609 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.740 2.205 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.820 2.369 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.820 0.924 -0.647 1.00 0.00 H new ATOM 1174 N THR A 82 3.979 1.735 -3.444 1.00 0.00 N ATOM 1175 CA THR A 82 2.746 1.653 -4.208 1.00 0.00 C ATOM 1176 C THR A 82 1.602 1.517 -3.196 1.00 0.00 C ATOM 1177 O THR A 82 1.849 1.339 -1.997 1.00 0.00 O ATOM 1178 CB THR A 82 2.842 0.440 -5.161 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.159 0.286 -5.681 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.850 0.503 -6.326 1.00 0.00 C ATOM 0 H THR A 82 4.095 0.947 -2.807 1.00 0.00 H new ATOM 0 HA THR A 82 2.568 2.535 -4.823 1.00 0.00 H new ATOM 0 HB THR A 82 2.584 -0.424 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.186 -0.490 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.971 -0.379 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.833 0.533 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.039 1.399 -6.917 1.00 0.00 H new ATOM 1188 N LEU A 83 0.352 1.596 -3.644 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.772 0.958 -2.972 1.00 0.00 C ATOM 1190 C LEU A 83 -1.774 0.496 -4.005 1.00 0.00 C ATOM 1191 O LEU A 83 -1.807 1.072 -5.089 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.480 1.861 -1.953 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.873 3.281 -2.357 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -3.107 3.690 -1.559 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.708 4.227 -2.018 1.00 0.00 C ATOM 0 H LEU A 83 0.091 2.107 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.361 0.118 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.388 1.348 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.834 1.936 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.091 3.330 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.400 4.702 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.925 3.003 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.879 3.657 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.973 5.246 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.507 4.188 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.182 3.918 -2.566 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.598 -0.494 -3.659 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.683 -1.013 -4.486 1.00 0.00 C ATOM 1209 C LYS A 84 -4.800 -1.456 -3.546 1.00 0.00 C ATOM 1210 O LYS A 84 -4.508 -2.064 -2.514 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.157 -2.188 -5.325 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.144 -2.598 -6.425 1.00 0.00 C ATOM 1213 CD LYS A 84 -3.490 -3.558 -7.425 1.00 0.00 C ATOM 1214 CE LYS A 84 -4.544 -4.002 -8.441 1.00 0.00 C ATOM 1215 NZ LYS A 84 -3.978 -4.852 -9.503 1.00 0.00 N ATOM 0 H LYS A 84 -2.523 -0.973 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.065 -0.258 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.204 -1.912 -5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.966 -3.041 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.016 -3.074 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.500 -1.710 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.660 -3.067 -7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.079 -4.423 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.334 -4.548 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.005 -3.122 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.731 -5.127 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.242 -4.325 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.561 -5.706 -9.079 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.044 -1.102 -3.865 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.215 -1.424 -3.055 1.00 0.00 C ATOM 1231 C GLN A 85 -7.529 -2.921 -3.070 1.00 0.00 C ATOM 1232 O GLN A 85 -6.904 -3.693 -3.791 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.424 -0.588 -3.521 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.001 0.326 -2.431 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.594 1.598 -3.029 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.926 2.617 -3.127 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.828 1.591 -3.500 1.00 0.00 N ATOM 0 H GLN A 85 -6.269 -0.574 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.991 -1.166 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.125 0.022 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.207 -1.261 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.770 -0.209 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.217 0.587 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.398 0.748 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.211 2.428 -3.938 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.520 -3.279 -2.257 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.130 -4.594 -2.104 1.00 0.00 C ATOM 1248 C ASP A 86 -9.823 -5.044 -3.400 1.00 0.00 C ATOM 1249 O ASP A 86 -9.227 -5.712 -4.238 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.083 -4.521 -0.893 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.522 -5.894 -0.378 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.339 -6.915 -1.076 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -10.983 -5.939 0.783 1.00 0.00 O ATOM 0 H ASP A 86 -8.953 -2.596 -1.635 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.375 -5.357 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.591 -3.979 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.967 -3.946 -1.170 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.077 -4.631 -3.611 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.854 -5.010 -4.790 1.00 0.00 C ATOM 1260 C GLU A 87 -11.362 -4.237 -6.026 1.00 0.00 C ATOM 1261 O GLU A 87 -11.458 -4.722 -7.151 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.336 -4.662 -4.564 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.001 -5.183 -3.278 1.00 0.00 C ATOM 1264 CD GLU A 87 -14.723 -6.523 -3.430 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -15.620 -6.663 -4.298 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -14.513 -7.414 -2.577 1.00 0.00 O ATOM 0 H GLU A 87 -11.581 -4.023 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.733 -6.081 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.432 -3.576 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.904 -5.042 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.239 -5.282 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.716 -4.438 -2.927 1.00 0.00 H new ATOM 1273 N SER A 88 -10.900 -2.997 -5.825 1.00 0.00 N ATOM 1274 CA SER A 88 -10.536 -2.060 -6.889 1.00 0.00 C ATOM 1275 C SER A 88 -9.151 -2.396 -7.475 1.00 0.00 C ATOM 1276 O SER A 88 -8.696 -3.538 -7.394 1.00 0.00 O ATOM 1277 CB SER A 88 -10.647 -0.617 -6.372 1.00 0.00 C ATOM 1278 OG SER A 88 -11.784 -0.456 -5.535 1.00 0.00 O ATOM 0 H SER A 88 -10.766 -2.609 -4.891 1.00 0.00 H new ATOM 0 HA SER A 88 -11.237 -2.158 -7.718 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.745 -0.356 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.713 0.070 -7.216 1.00 0.00 H new ATOM 0 HG SER A 88 -12.017 0.494 -5.478 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.484 -1.438 -8.130 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.224 -1.743 -8.789 1.00 0.00 C ATOM 1286 C GLY A 89 -6.591 -0.625 -9.614 1.00 0.00 C ATOM 1287 O GLY A 89 -5.692 -0.915 -10.401 1.00 0.00 O ATOM 0 H GLY A 89 -8.792 -0.469 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.508 -2.050 -8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.381 -2.601 -9.443 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.970 0.648 -9.431 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.973 1.708 -9.599 1.00 0.00 C ATOM 1293 C LYS A 90 -4.893 1.529 -8.534 1.00 0.00 C ATOM 1294 O LYS A 90 -5.064 0.749 -7.590 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.598 3.107 -9.464 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.260 3.572 -10.763 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.332 5.113 -10.820 1.00 0.00 C ATOM 1298 CE LYS A 90 -6.573 5.701 -12.016 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.141 5.329 -12.050 1.00 0.00 N ATOM 0 H LYS A 90 -7.909 0.956 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.550 1.632 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.339 3.097 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.827 3.821 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.697 3.198 -11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.264 3.154 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.376 5.421 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.923 5.525 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.049 5.366 -12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.657 6.787 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.631 5.969 -12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.740 5.405 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.044 4.351 -12.389 1.00 0.00 H new ATOM 1313 N THR A 91 -3.812 2.287 -8.660 1.00 0.00 N ATOM 1314 CA THR A 91 -2.774 2.346 -7.656 1.00 0.00 C ATOM 1315 C THR A 91 -2.405 3.804 -7.420 1.00 0.00 C ATOM 1316 O THR A 91 -2.576 4.632 -8.328 1.00 0.00 O ATOM 1317 CB THR A 91 -1.577 1.496 -8.122 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.171 1.845 -9.432 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.910 0.007 -8.164 1.00 0.00 C ATOM 0 H THR A 91 -3.635 2.881 -9.471 1.00 0.00 H new ATOM 0 HA THR A 91 -3.114 1.934 -6.706 1.00 0.00 H new ATOM 0 HB THR A 91 -0.787 1.693 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.409 1.289 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.036 -0.552 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.197 -0.330 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.735 -0.162 -8.856 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.852 4.130 -6.246 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.143 5.396 -6.072 1.00 0.00 C ATOM 1329 C LEU A 92 0.324 5.063 -5.833 1.00 0.00 C ATOM 1330 O LEU A 92 0.679 3.912 -5.561 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.708 6.215 -4.904 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.205 6.547 -4.938 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.554 7.175 -3.590 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.587 7.510 -6.068 1.00 0.00 C ATOM 0 H LEU A 92 -1.882 3.541 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.265 6.011 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.504 5.672 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.155 7.153 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.761 5.629 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.614 7.428 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.335 6.467 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.962 8.079 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.659 7.703 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.046 8.448 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.328 7.065 -7.029 1.00 0.00 H new ATOM 1346 N SER A 93 1.172 6.082 -5.908 1.00 0.00 N ATOM 1347 CA SER A 93 2.619 5.960 -5.864 1.00 0.00 C ATOM 1348 C SER A 93 3.107 7.054 -4.924 1.00 0.00 C ATOM 1349 O SER A 93 2.789 8.228 -5.163 1.00 0.00 O ATOM 1350 CB SER A 93 3.175 6.151 -7.283 1.00 0.00 C ATOM 1351 OG SER A 93 2.409 5.425 -8.238 1.00 0.00 O ATOM 0 H SER A 93 0.858 7.048 -6.004 1.00 0.00 H new ATOM 0 HA SER A 93 2.949 4.984 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.170 7.211 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.213 5.819 -7.317 1.00 0.00 H new ATOM 0 HG SER A 93 2.783 5.566 -9.133 1.00 0.00 H new ATOM 1357 N LEU A 94 3.750 6.691 -3.808 1.00 0.00 N ATOM 1358 CA LEU A 94 4.394 7.649 -2.909 1.00 0.00 C ATOM 1359 C LEU A 94 5.833 7.807 -3.370 1.00 0.00 C ATOM 1360 O LEU A 94 6.559 6.814 -3.466 1.00 0.00 O ATOM 1361 CB LEU A 94 4.331 7.216 -1.433 1.00 0.00 C ATOM 1362 CG LEU A 94 3.937 8.326 -0.441 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.042 7.776 0.978 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.815 9.575 -0.526 1.00 0.00 C ATOM 0 H LEU A 94 3.837 5.721 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 94 3.862 8.599 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.616 6.398 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.305 6.822 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 94 2.922 8.625 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.765 8.553 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.370 6.925 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.066 7.456 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.474 10.310 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.850 9.307 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.747 10.000 -1.528 1.00 0.00 H new ATOM 1376 N LYS A 95 6.226 9.042 -3.680 1.00 0.00 N ATOM 1377 CA LYS A 95 7.562 9.386 -4.148 1.00 0.00 C ATOM 1378 C LYS A 95 8.084 10.523 -3.289 1.00 0.00 C ATOM 1379 O LYS A 95 7.812 11.690 -3.549 1.00 0.00 O ATOM 1380 CB LYS A 95 7.532 9.709 -5.655 1.00 0.00 C ATOM 1381 CG LYS A 95 7.508 8.428 -6.494 1.00 0.00 C ATOM 1382 CD LYS A 95 7.432 8.649 -8.012 1.00 0.00 C ATOM 1383 CE LYS A 95 8.780 9.050 -8.627 1.00 0.00 C ATOM 1384 NZ LYS A 95 8.862 10.471 -9.023 1.00 0.00 N ATOM 0 H LYS A 95 5.606 9.849 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 95 8.250 8.547 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.654 10.313 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.406 10.304 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.404 7.848 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.653 7.826 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.078 7.735 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.697 9.425 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.572 8.837 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.967 8.428 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.800 10.665 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.129 10.677 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.715 11.073 -8.188 1.00 0.00 H new ATOM 1398 N ILE A 96 8.785 10.183 -2.213 1.00 0.00 N ATOM 1399 CA ILE A 96 9.525 11.160 -1.431 1.00 0.00 C ATOM 1400 C ILE A 96 10.862 11.319 -2.150 1.00 0.00 C ATOM 1401 O ILE A 96 11.574 10.325 -2.314 1.00 0.00 O ATOM 1402 CB ILE A 96 9.740 10.696 0.030 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.491 10.120 0.726 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.220 11.905 0.855 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.328 8.606 0.560 1.00 0.00 C ATOM 0 H ILE A 96 8.855 9.228 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 96 8.977 12.100 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 96 10.467 9.885 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.539 10.356 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.605 10.616 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.378 11.600 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.156 12.280 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.466 12.692 0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.427 8.278 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.247 8.363 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.195 8.098 0.983 1.00 0.00 H new ATOM 1417 N VAL A 97 11.225 12.526 -2.573 1.00 0.00 N ATOM 1418 CA VAL A 97 12.585 12.827 -2.992 1.00 0.00 C ATOM 1419 C VAL A 97 13.194 13.643 -1.852 1.00 0.00 C ATOM 1420 O VAL A 97 13.040 14.858 -1.829 1.00 0.00 O ATOM 1421 CB VAL A 97 12.559 13.545 -4.354 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.976 13.838 -4.867 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.824 12.703 -5.409 1.00 0.00 C ATOM 0 H VAL A 97 10.586 13.318 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 97 13.201 11.944 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 97 12.031 14.486 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.917 14.345 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.497 14.476 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.522 12.902 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.821 13.234 -6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.332 11.746 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.797 12.531 -5.086 1.00 0.00 H new ATOM 1433 N GLN A 98 13.840 12.979 -0.887 1.00 0.00 N ATOM 1434 CA GLN A 98 14.390 13.642 0.297 1.00 0.00 C ATOM 1435 C GLN A 98 15.922 13.590 0.236 1.00 0.00 C ATOM 1436 O GLN A 98 16.456 12.633 -0.333 1.00 0.00 O ATOM 1437 CB GLN A 98 13.801 13.076 1.614 1.00 0.00 C ATOM 1438 CG GLN A 98 13.648 11.559 1.754 1.00 0.00 C ATOM 1439 CD GLN A 98 14.934 10.805 2.047 1.00 0.00 C ATOM 1440 OE1 GLN A 98 15.318 9.898 1.311 1.00 0.00 O ATOM 1441 NE2 GLN A 98 15.616 11.161 3.113 1.00 0.00 N ATOM 0 H GLN A 98 13.995 11.971 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 98 14.091 14.690 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.430 13.423 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.817 13.523 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.935 11.354 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.217 11.167 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.276 11.917 3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.486 10.681 3.346 1.00 0.00 H new ATOM 1450 N PRO A 99 16.631 14.613 0.741 1.00 0.00 N ATOM 1451 CA PRO A 99 18.075 14.611 0.952 1.00 0.00 C ATOM 1452 C PRO A 99 18.448 13.717 2.143 1.00 0.00 C ATOM 1453 O PRO A 99 17.581 13.170 2.824 1.00 0.00 O ATOM 1454 CB PRO A 99 18.430 16.079 1.210 1.00 0.00 C ATOM 1455 CG PRO A 99 17.185 16.617 1.912 1.00 0.00 C ATOM 1456 CD PRO A 99 16.046 15.834 1.261 1.00 0.00 C ATOM 0 HA PRO A 99 18.624 14.209 0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.318 16.175 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.633 16.614 0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.226 16.448 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.072 17.691 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.264 15.611 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.584 16.414 0.462 1.00 0.00 H new ATOM 1464 N GLY A 100 19.746 13.545 2.399 1.00 0.00 N ATOM 1465 CA GLY A 100 20.219 12.629 3.418 1.00 0.00 C ATOM 1466 C GLY A 100 20.743 13.273 4.693 1.00 0.00 C ATOM 1467 O GLY A 100 20.908 14.493 4.778 1.00 0.00 O ATOM 0 H GLY A 100 20.489 14.038 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.404 11.956 3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.012 12.016 2.990 1.00 0.00 H new ATOM 1471 N LYS A 101 21.046 12.418 5.676 1.00 0.00 N ATOM 1472 CA LYS A 101 21.522 12.795 7.004 1.00 0.00 C ATOM 1473 C LYS A 101 22.533 11.789 7.541 1.00 0.00 C ATOM 1474 O LYS A 101 22.870 10.814 6.869 1.00 0.00 O ATOM 1475 CB LYS A 101 20.332 12.969 7.962 1.00 0.00 C ATOM 1476 CG LYS A 101 19.587 11.655 8.265 1.00 0.00 C ATOM 1477 CD LYS A 101 18.803 11.691 9.583 1.00 0.00 C ATOM 1478 CE LYS A 101 17.383 11.154 9.379 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.440 11.639 10.406 1.00 0.00 N ATOM 0 H LYS A 101 20.962 11.408 5.560 1.00 0.00 H new ATOM 0 HA LYS A 101 22.040 13.751 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 101 20.690 13.398 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 101 19.631 13.683 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 101 18.899 11.439 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 101 20.307 10.837 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.319 11.095 10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.761 12.713 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.025 11.450 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.405 10.064 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.507 11.207 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.791 11.379 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.357 12.674 10.340 1.00 0.00 H new ATOM 1493 N THR A 102 22.991 12.021 8.771 1.00 0.00 N ATOM 1494 CA THR A 102 23.822 11.132 9.559 1.00 0.00 C ATOM 1495 C THR A 102 23.662 11.565 11.019 1.00 0.00 C ATOM 1496 O THR A 102 24.340 12.513 11.422 1.00 0.00 O ATOM 1497 CB THR A 102 25.305 11.240 9.137 1.00 0.00 C ATOM 1498 OG1 THR A 102 25.654 12.534 8.669 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.737 10.205 8.105 1.00 0.00 C ATOM 0 H THR A 102 22.775 12.886 9.266 1.00 0.00 H new ATOM 0 HA THR A 102 23.520 10.095 9.412 1.00 0.00 H new ATOM 0 HB THR A 102 25.846 11.035 10.061 1.00 0.00 H new ATOM 0 HG1 THR A 102 26.601 12.547 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.790 10.350 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.592 9.204 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 102 25.138 10.320 7.201 1.00 0.00 H new ATOM 1507 N SER A 103 22.785 10.916 11.788 1.00 0.00 N ATOM 1508 CA SER A 103 22.653 11.106 13.234 1.00 0.00 C ATOM 1509 C SER A 103 22.271 9.793 13.923 1.00 0.00 C ATOM 1510 O SER A 103 21.881 8.834 13.250 1.00 0.00 O ATOM 1511 CB SER A 103 21.626 12.191 13.525 1.00 0.00 C ATOM 1512 OG SER A 103 22.189 13.481 13.367 1.00 0.00 O ATOM 0 H SER A 103 22.132 10.228 11.414 1.00 0.00 H new ATOM 0 HA SER A 103 23.616 11.423 13.634 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.773 12.078 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.250 12.077 14.542 1.00 0.00 H new ATOM 0 HG SER A 103 22.958 13.430 12.762 1.00 0.00 H new ATOM 1518 N ILE A 104 22.423 9.736 15.251 1.00 0.00 N ATOM 1519 CA ILE A 104 21.976 8.641 16.117 1.00 0.00 C ATOM 1520 C ILE A 104 20.452 8.708 16.276 1.00 0.00 C ATOM 1521 O ILE A 104 19.916 8.964 17.357 1.00 0.00 O ATOM 1522 CB ILE A 104 22.729 8.650 17.470 1.00 0.00 C ATOM 1523 CG1 ILE A 104 22.656 10.001 18.228 1.00 0.00 C ATOM 1524 CG2 ILE A 104 24.195 8.237 17.237 1.00 0.00 C ATOM 1525 CD1 ILE A 104 22.955 9.862 19.722 1.00 0.00 C ATOM 0 H ILE A 104 22.880 10.484 15.773 1.00 0.00 H new ATOM 0 HA ILE A 104 22.219 7.685 15.653 1.00 0.00 H new ATOM 0 HB ILE A 104 22.225 7.931 18.116 1.00 0.00 H new ATOM 0 HG12 ILE A 104 23.365 10.700 17.784 1.00 0.00 H new ATOM 0 HG13 ILE A 104 21.662 10.431 18.100 1.00 0.00 H new ATOM 0 HG21 ILE A 104 24.730 8.242 18.187 1.00 0.00 H new ATOM 0 HG22 ILE A 104 24.227 7.236 16.808 1.00 0.00 H new ATOM 0 HG23 ILE A 104 24.667 8.941 16.552 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.889 10.840 20.199 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.230 9.187 20.177 1.00 0.00 H new ATOM 0 HD13 ILE A 104 23.959 9.460 19.856 1.00 0.00 H new ATOM 1537 N ASP A 105 19.746 8.506 15.172 1.00 0.00 N ATOM 1538 CA ASP A 105 18.353 8.901 15.013 1.00 0.00 C ATOM 1539 C ASP A 105 17.570 7.709 14.501 1.00 0.00 C ATOM 1540 O ASP A 105 17.784 6.599 15.043 1.00 0.00 O ATOM 1541 CB ASP A 105 18.326 10.136 14.095 1.00 0.00 C ATOM 1542 CG ASP A 105 16.968 10.834 14.024 1.00 0.00 C ATOM 1543 OD1 ASP A 105 16.092 10.589 14.884 1.00 0.00 O ATOM 1544 OD2 ASP A 105 16.809 11.677 13.109 1.00 0.00 O ATOM 0 H ASP A 105 20.134 8.053 14.344 1.00 0.00 H new ATOM 0 HA ASP A 105 17.875 9.191 15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.071 10.851 14.444 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.620 9.834 13.090 1.00 0.00 H new TER 1549 ASP A 105