USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 45 HIS : no HE2:sc= -0.867 K(o=-1,f=-2.6) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.15 X(o=-1,f=-1.3) USER MOD Set 2.1: A 40 THR OG1 : rot 82:sc= 1.13 USER MOD Set 2.2: A 42 THR OG1 : rot 80:sc= 1.08 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.106 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 10 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.78) USER MOD Single : A 11 THR OG1 : rot -140:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.635 X(o=-0.64,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.967 K(o=0.97,f=-6.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -75:sc= 1.55 USER MOD Single : A 59 CYS SG : rot 140:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 78 ASN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 79 MET CE :methyl 173:sc= -0.448 (180deg=-0.554) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 42:sc= 0.669 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 106 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.015) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 25:sc= 0.294 USER MOD Single : A 112 SER OG : rot 180:sc= 0.135 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.624 -23.625 -3.654 1.00 0.00 N ATOM 2 CA GLY A 1 -16.499 -24.566 -3.745 1.00 0.00 C ATOM 3 C GLY A 1 -15.337 -23.929 -4.481 1.00 0.00 C ATOM 4 O GLY A 1 -15.294 -22.706 -4.602 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.075 -23.712 -2.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.275 -22.654 -3.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.320 -23.843 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.185 -24.865 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.814 -25.471 -4.264 1.00 0.00 H new ATOM 8 N SER A 2 -14.405 -24.753 -4.968 1.00 0.00 N ATOM 9 CA SER A 2 -13.343 -24.395 -5.908 1.00 0.00 C ATOM 10 C SER A 2 -12.581 -23.117 -5.520 1.00 0.00 C ATOM 11 O SER A 2 -12.658 -22.086 -6.192 1.00 0.00 O ATOM 12 CB SER A 2 -13.952 -24.339 -7.312 1.00 0.00 C ATOM 13 OG SER A 2 -14.630 -25.553 -7.597 1.00 0.00 O ATOM 0 H SER A 2 -14.370 -25.737 -4.703 1.00 0.00 H new ATOM 0 HA SER A 2 -12.569 -25.162 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.645 -23.501 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.169 -24.169 -8.050 1.00 0.00 H new ATOM 0 HG SER A 2 -15.018 -25.508 -8.496 1.00 0.00 H new ATOM 19 N SER A 3 -11.863 -23.172 -4.399 1.00 0.00 N ATOM 20 CA SER A 3 -10.986 -22.099 -3.938 1.00 0.00 C ATOM 21 C SER A 3 -9.638 -22.097 -4.670 1.00 0.00 C ATOM 22 O SER A 3 -9.067 -21.025 -4.878 1.00 0.00 O ATOM 23 CB SER A 3 -10.804 -22.241 -2.425 1.00 0.00 C ATOM 24 OG SER A 3 -10.806 -23.601 -2.006 1.00 0.00 O ATOM 0 H SER A 3 -11.875 -23.979 -3.775 1.00 0.00 H new ATOM 0 HA SER A 3 -11.448 -21.138 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.865 -21.773 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.603 -21.704 -1.913 1.00 0.00 H new ATOM 0 HG SER A 3 -10.685 -23.644 -1.034 1.00 0.00 H new ATOM 30 N GLY A 4 -9.161 -23.280 -5.074 1.00 0.00 N ATOM 31 CA GLY A 4 -7.939 -23.498 -5.830 1.00 0.00 C ATOM 32 C GLY A 4 -6.751 -22.787 -5.201 1.00 0.00 C ATOM 33 O GLY A 4 -6.321 -23.152 -4.102 1.00 0.00 O ATOM 0 H GLY A 4 -9.648 -24.152 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.734 -24.567 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.076 -23.143 -6.852 1.00 0.00 H new ATOM 37 N SER A 5 -6.205 -21.802 -5.907 1.00 0.00 N ATOM 38 CA SER A 5 -5.013 -21.070 -5.528 1.00 0.00 C ATOM 39 C SER A 5 -5.386 -19.608 -5.264 1.00 0.00 C ATOM 40 O SER A 5 -5.240 -18.758 -6.144 1.00 0.00 O ATOM 41 CB SER A 5 -3.952 -21.245 -6.627 1.00 0.00 C ATOM 42 OG SER A 5 -3.666 -22.619 -6.853 1.00 0.00 O ATOM 0 H SER A 5 -6.600 -21.484 -6.792 1.00 0.00 H new ATOM 0 HA SER A 5 -4.581 -21.455 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.304 -20.787 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.039 -20.723 -6.341 1.00 0.00 H new ATOM 0 HG SER A 5 -2.990 -22.701 -7.558 1.00 0.00 H new ATOM 48 N SER A 6 -5.857 -19.315 -4.051 1.00 0.00 N ATOM 49 CA SER A 6 -5.846 -18.003 -3.402 1.00 0.00 C ATOM 50 C SER A 6 -6.339 -16.829 -4.270 1.00 0.00 C ATOM 51 O SER A 6 -5.672 -15.793 -4.337 1.00 0.00 O ATOM 52 CB SER A 6 -4.441 -17.750 -2.826 1.00 0.00 C ATOM 53 OG SER A 6 -3.825 -18.925 -2.315 1.00 0.00 O ATOM 0 H SER A 6 -6.282 -20.030 -3.460 1.00 0.00 H new ATOM 0 HA SER A 6 -6.586 -18.041 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.808 -17.325 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.510 -17.008 -2.030 1.00 0.00 H new ATOM 0 HG SER A 6 -2.937 -18.703 -1.965 1.00 0.00 H new ATOM 59 N GLY A 7 -7.495 -16.952 -4.928 1.00 0.00 N ATOM 60 CA GLY A 7 -7.958 -15.959 -5.893 1.00 0.00 C ATOM 61 C GLY A 7 -9.363 -16.325 -6.329 1.00 0.00 C ATOM 62 O GLY A 7 -9.651 -16.435 -7.518 1.00 0.00 O ATOM 0 H GLY A 7 -8.131 -17.740 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.948 -14.965 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.291 -15.929 -6.754 1.00 0.00 H new ATOM 66 N SER A 8 -10.210 -16.606 -5.339 1.00 0.00 N ATOM 67 CA SER A 8 -11.381 -17.455 -5.465 1.00 0.00 C ATOM 68 C SER A 8 -12.346 -17.033 -6.579 1.00 0.00 C ATOM 69 O SER A 8 -12.936 -17.905 -7.223 1.00 0.00 O ATOM 70 CB SER A 8 -12.084 -17.454 -4.112 1.00 0.00 C ATOM 71 OG SER A 8 -11.183 -17.647 -3.026 1.00 0.00 O ATOM 0 H SER A 8 -10.090 -16.233 -4.397 1.00 0.00 H new ATOM 0 HA SER A 8 -11.052 -18.454 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.609 -16.508 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.838 -18.241 -4.098 1.00 0.00 H new ATOM 0 HG SER A 8 -11.681 -17.637 -2.182 1.00 0.00 H new ATOM 77 N LEU A 9 -12.485 -15.728 -6.836 1.00 0.00 N ATOM 78 CA LEU A 9 -13.275 -15.204 -7.937 1.00 0.00 C ATOM 79 C LEU A 9 -12.610 -13.917 -8.432 1.00 0.00 C ATOM 80 O LEU A 9 -12.952 -12.824 -7.980 1.00 0.00 O ATOM 81 CB LEU A 9 -14.745 -15.012 -7.496 1.00 0.00 C ATOM 82 CG LEU A 9 -15.697 -15.275 -8.677 1.00 0.00 C ATOM 83 CD1 LEU A 9 -15.972 -16.778 -8.810 1.00 0.00 C ATOM 84 CD2 LEU A 9 -17.025 -14.548 -8.490 1.00 0.00 C ATOM 0 H LEU A 9 -12.042 -15.002 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.307 -15.905 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.977 -15.691 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.890 -13.998 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.212 -14.901 -9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.646 -16.952 -9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.034 -17.306 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.431 -17.146 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.675 -14.754 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.504 -14.895 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.846 -13.475 -8.421 1.00 0.00 H new ATOM 96 N GLN A 10 -11.630 -14.057 -9.333 1.00 0.00 N ATOM 97 CA GLN A 10 -10.804 -12.964 -9.853 1.00 0.00 C ATOM 98 C GLN A 10 -10.134 -12.142 -8.733 1.00 0.00 C ATOM 99 O GLN A 10 -10.087 -12.554 -7.572 1.00 0.00 O ATOM 100 CB GLN A 10 -11.643 -12.130 -10.855 1.00 0.00 C ATOM 101 CG GLN A 10 -11.553 -12.692 -12.282 1.00 0.00 C ATOM 102 CD GLN A 10 -10.199 -12.437 -12.944 1.00 0.00 C ATOM 103 OE1 GLN A 10 -9.535 -11.435 -12.690 1.00 0.00 O ATOM 104 NE2 GLN A 10 -9.750 -13.314 -13.822 1.00 0.00 N ATOM 0 H GLN A 10 -11.384 -14.963 -9.732 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.957 -13.375 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.685 -12.117 -10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.295 -11.097 -10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.741 -13.765 -12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.338 -12.246 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.298 -14.147 -14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.855 -13.158 -14.286 1.00 0.00 H new ATOM 113 N THR A 11 -9.543 -11.001 -9.094 1.00 0.00 N ATOM 114 CA THR A 11 -9.138 -9.939 -8.183 1.00 0.00 C ATOM 115 C THR A 11 -9.669 -8.608 -8.732 1.00 0.00 C ATOM 116 O THR A 11 -10.182 -8.550 -9.856 1.00 0.00 O ATOM 117 CB THR A 11 -7.612 -9.940 -7.942 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.847 -9.835 -9.127 1.00 0.00 O ATOM 119 CG2 THR A 11 -7.122 -11.158 -7.155 1.00 0.00 C ATOM 0 H THR A 11 -9.327 -10.787 -10.068 1.00 0.00 H new ATOM 0 HA THR A 11 -9.572 -10.103 -7.197 1.00 0.00 H new ATOM 0 HB THR A 11 -7.454 -9.042 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.067 -10.425 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.042 -11.095 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.607 -11.180 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.367 -12.068 -7.703 1.00 0.00 H new ATOM 127 N SER A 12 -9.590 -7.539 -7.942 1.00 0.00 N ATOM 128 CA SER A 12 -9.722 -6.169 -8.398 1.00 0.00 C ATOM 129 C SER A 12 -8.439 -5.425 -8.066 1.00 0.00 C ATOM 130 O SER A 12 -7.798 -5.666 -7.042 1.00 0.00 O ATOM 131 CB SER A 12 -10.902 -5.475 -7.714 1.00 0.00 C ATOM 132 OG SER A 12 -12.173 -5.822 -8.233 1.00 0.00 O ATOM 0 H SER A 12 -9.427 -7.611 -6.938 1.00 0.00 H new ATOM 0 HA SER A 12 -9.902 -6.167 -9.473 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.881 -5.715 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.771 -4.396 -7.800 1.00 0.00 H new ATOM 0 HG SER A 12 -12.870 -5.339 -7.742 1.00 0.00 H new ATOM 138 N ASP A 13 -8.106 -4.482 -8.932 1.00 0.00 N ATOM 139 CA ASP A 13 -7.327 -3.293 -8.622 1.00 0.00 C ATOM 140 C ASP A 13 -8.222 -2.327 -7.846 1.00 0.00 C ATOM 141 O ASP A 13 -9.450 -2.367 -7.966 1.00 0.00 O ATOM 142 CB ASP A 13 -6.810 -2.623 -9.909 1.00 0.00 C ATOM 143 CG ASP A 13 -7.897 -2.471 -10.980 1.00 0.00 C ATOM 144 OD1 ASP A 13 -8.686 -1.500 -10.947 1.00 0.00 O ATOM 145 OD2 ASP A 13 -8.010 -3.409 -11.806 1.00 0.00 O ATOM 0 H ASP A 13 -8.383 -4.526 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.459 -3.569 -8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.408 -1.640 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.987 -3.212 -10.314 1.00 0.00 H new ATOM 150 N VAL A 14 -7.611 -1.449 -7.055 1.00 0.00 N ATOM 151 CA VAL A 14 -8.245 -0.248 -6.526 1.00 0.00 C ATOM 152 C VAL A 14 -7.199 0.846 -6.666 1.00 0.00 C ATOM 153 O VAL A 14 -6.099 0.666 -6.142 1.00 0.00 O ATOM 154 CB VAL A 14 -8.707 -0.399 -5.058 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.715 0.710 -4.752 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.348 -1.755 -4.744 1.00 0.00 C ATOM 0 H VAL A 14 -6.641 -1.556 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.160 -0.024 -7.075 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.816 -0.328 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.053 0.620 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.242 1.681 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.570 0.620 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.645 -1.783 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.226 -1.897 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.629 -2.551 -4.939 1.00 0.00 H new ATOM 166 N VAL A 15 -7.500 1.918 -7.395 1.00 0.00 N ATOM 167 CA VAL A 15 -6.554 2.970 -7.725 1.00 0.00 C ATOM 168 C VAL A 15 -7.097 4.274 -7.154 1.00 0.00 C ATOM 169 O VAL A 15 -7.974 4.928 -7.734 1.00 0.00 O ATOM 170 CB VAL A 15 -6.276 2.992 -9.241 1.00 0.00 C ATOM 171 CG1 VAL A 15 -5.090 3.908 -9.537 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.933 1.600 -9.769 1.00 0.00 C ATOM 0 H VAL A 15 -8.431 2.079 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.577 2.797 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.181 3.351 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.898 3.920 -10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.317 4.919 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.207 3.540 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.743 1.654 -10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.043 1.227 -9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.767 0.924 -9.582 1.00 0.00 H new ATOM 182 N ILE A 16 -6.589 4.624 -5.973 1.00 0.00 N ATOM 183 CA ILE A 16 -7.046 5.774 -5.198 1.00 0.00 C ATOM 184 C ILE A 16 -6.060 6.894 -5.462 1.00 0.00 C ATOM 185 O ILE A 16 -4.854 6.697 -5.311 1.00 0.00 O ATOM 186 CB ILE A 16 -7.122 5.425 -3.700 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.150 4.295 -3.488 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.516 6.663 -2.865 1.00 0.00 C ATOM 189 CD1 ILE A 16 -7.906 3.491 -2.223 1.00 0.00 C ATOM 0 H ILE A 16 -5.835 4.106 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.051 6.076 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.139 5.092 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.150 4.726 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.125 3.624 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.563 6.391 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.772 7.448 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.491 7.026 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.664 2.713 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.918 3.032 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.960 4.150 -1.357 1.00 0.00 H new ATOM 201 N HIS A 17 -6.559 8.046 -5.881 1.00 0.00 N ATOM 202 CA HIS A 17 -5.776 9.245 -6.134 1.00 0.00 C ATOM 203 C HIS A 17 -6.007 10.208 -4.961 1.00 0.00 C ATOM 204 O HIS A 17 -7.096 10.179 -4.385 1.00 0.00 O ATOM 205 CB HIS A 17 -6.201 9.815 -7.497 1.00 0.00 C ATOM 206 CG HIS A 17 -6.124 8.800 -8.622 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.977 8.338 -9.228 1.00 0.00 N ATOM 208 CD2 HIS A 17 -7.169 8.096 -9.152 1.00 0.00 C ATOM 209 CE1 HIS A 17 -5.318 7.371 -10.099 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.647 7.185 -10.078 1.00 0.00 N ATOM 0 H HIS A 17 -7.555 8.176 -6.060 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.705 9.052 -6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.222 10.190 -7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.566 10.667 -7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.212 8.220 -8.901 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.625 6.825 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.175 6.510 -10.631 1.00 0.00 H new ATOM 218 N ARG A 18 -5.049 11.063 -4.579 1.00 0.00 N ATOM 219 CA ARG A 18 -5.259 12.061 -3.517 1.00 0.00 C ATOM 220 C ARG A 18 -4.527 13.354 -3.867 1.00 0.00 C ATOM 221 O ARG A 18 -3.977 13.473 -4.960 1.00 0.00 O ATOM 222 CB ARG A 18 -4.850 11.494 -2.146 1.00 0.00 C ATOM 223 CG ARG A 18 -3.386 11.053 -2.086 1.00 0.00 C ATOM 224 CD ARG A 18 -2.901 10.742 -0.665 1.00 0.00 C ATOM 225 NE ARG A 18 -1.769 11.598 -0.337 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.595 11.309 0.231 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.235 10.052 0.455 1.00 0.00 N ATOM 228 NH2 ARG A 18 0.214 12.301 0.574 1.00 0.00 N ATOM 0 H ARG A 18 -4.116 11.085 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.320 12.299 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.026 12.250 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.489 10.644 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.255 10.168 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.760 11.837 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.709 10.901 0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.611 9.694 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.893 12.580 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.858 9.288 0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.665 9.849 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.063 13.268 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.114 12.098 1.009 1.00 0.00 H new ATOM 242 N LYS A 19 -4.533 14.339 -2.972 1.00 0.00 N ATOM 243 CA LYS A 19 -3.696 15.523 -3.069 1.00 0.00 C ATOM 244 C LYS A 19 -2.410 15.241 -2.288 1.00 0.00 C ATOM 245 O LYS A 19 -2.359 14.312 -1.472 1.00 0.00 O ATOM 246 CB LYS A 19 -4.422 16.779 -2.564 1.00 0.00 C ATOM 247 CG LYS A 19 -5.480 17.305 -3.553 1.00 0.00 C ATOM 248 CD LYS A 19 -6.890 16.718 -3.381 1.00 0.00 C ATOM 249 CE LYS A 19 -7.141 15.366 -4.060 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.570 15.033 -4.180 1.00 0.00 N ATOM 0 H LYS A 19 -5.132 14.333 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.456 15.732 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.903 16.555 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.689 17.563 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.541 18.389 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.140 17.098 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.090 16.610 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.612 17.437 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.693 15.377 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.639 14.583 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.673 14.109 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.998 14.992 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.050 15.762 -4.746 1.00 0.00 H new ATOM 264 N GLU A 20 -1.362 16.035 -2.503 1.00 0.00 N ATOM 265 CA GLU A 20 -0.146 15.931 -1.692 1.00 0.00 C ATOM 266 C GLU A 20 -0.410 16.385 -0.256 1.00 0.00 C ATOM 267 O GLU A 20 0.133 15.805 0.683 1.00 0.00 O ATOM 268 CB GLU A 20 1.022 16.711 -2.315 1.00 0.00 C ATOM 269 CG GLU A 20 0.793 18.224 -2.422 1.00 0.00 C ATOM 270 CD GLU A 20 2.044 18.899 -2.967 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.287 18.858 -4.198 1.00 0.00 O ATOM 272 OE2 GLU A 20 2.805 19.486 -2.169 1.00 0.00 O ATOM 0 H GLU A 20 -1.328 16.753 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 20 0.145 14.881 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.918 16.533 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.216 16.315 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.055 18.427 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.545 18.633 -1.443 1.00 0.00 H new ATOM 279 N ASN A 21 -1.250 17.410 -0.087 1.00 0.00 N ATOM 280 CA ASN A 21 -1.397 18.163 1.161 1.00 0.00 C ATOM 281 C ASN A 21 -2.199 17.394 2.220 1.00 0.00 C ATOM 282 O ASN A 21 -2.347 17.851 3.350 1.00 0.00 O ATOM 283 CB ASN A 21 -2.068 19.514 0.859 1.00 0.00 C ATOM 284 CG ASN A 21 -1.517 20.600 1.755 1.00 0.00 C ATOM 285 OD1 ASN A 21 -0.516 21.235 1.428 1.00 0.00 O ATOM 286 ND2 ASN A 21 -2.155 20.878 2.860 1.00 0.00 N ATOM 0 H ASN A 21 -1.861 17.747 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.402 18.322 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.905 19.781 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.145 19.430 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.824 21.630 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.984 20.343 3.119 1.00 0.00 H new ATOM 293 N GLU A 22 -2.722 16.226 1.854 1.00 0.00 N ATOM 294 CA GLU A 22 -3.534 15.341 2.670 1.00 0.00 C ATOM 295 C GLU A 22 -2.859 13.966 2.710 1.00 0.00 C ATOM 296 O GLU A 22 -1.807 13.753 2.094 1.00 0.00 O ATOM 297 CB GLU A 22 -4.960 15.279 2.092 1.00 0.00 C ATOM 298 CG GLU A 22 -5.037 14.647 0.688 1.00 0.00 C ATOM 299 CD GLU A 22 -6.446 14.571 0.088 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.453 14.795 0.802 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.567 14.223 -1.106 1.00 0.00 O ATOM 0 H GLU A 22 -2.577 15.852 0.916 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.617 15.709 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.593 14.709 2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.368 16.289 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.401 15.220 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.624 13.639 0.736 1.00 0.00 H new ATOM 308 N GLY A 23 -3.446 13.014 3.423 1.00 0.00 N ATOM 309 CA GLY A 23 -3.167 11.595 3.296 1.00 0.00 C ATOM 310 C GLY A 23 -4.356 10.896 2.640 1.00 0.00 C ATOM 311 O GLY A 23 -5.378 11.507 2.303 1.00 0.00 O ATOM 0 H GLY A 23 -4.153 13.218 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.268 11.443 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.974 11.163 4.278 1.00 0.00 H new ATOM 315 N PHE A 24 -4.210 9.587 2.443 1.00 0.00 N ATOM 316 CA PHE A 24 -5.316 8.700 2.142 1.00 0.00 C ATOM 317 C PHE A 24 -6.139 8.514 3.425 1.00 0.00 C ATOM 318 O PHE A 24 -5.840 9.105 4.470 1.00 0.00 O ATOM 319 CB PHE A 24 -4.767 7.361 1.647 1.00 0.00 C ATOM 320 CG PHE A 24 -3.822 7.426 0.460 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.320 7.659 -0.841 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.443 7.218 0.651 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.443 7.668 -1.938 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.566 7.232 -0.445 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.068 7.484 -1.727 1.00 0.00 C ATOM 0 H PHE A 24 -3.308 9.114 2.490 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.952 9.117 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.247 6.876 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.609 6.722 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.376 7.830 -0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.058 7.047 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.824 7.816 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.511 7.050 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.388 7.538 -2.565 1.00 0.00 H new ATOM 335 N GLY A 25 -7.155 7.654 3.385 1.00 0.00 N ATOM 336 CA GLY A 25 -8.032 7.414 4.521 1.00 0.00 C ATOM 337 C GLY A 25 -8.370 5.949 4.695 1.00 0.00 C ATOM 338 O GLY A 25 -9.540 5.602 4.620 1.00 0.00 O ATOM 0 H GLY A 25 -7.391 7.104 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.554 7.783 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.953 7.983 4.391 1.00 0.00 H new ATOM 342 N PHE A 26 -7.381 5.087 4.912 1.00 0.00 N ATOM 343 CA PHE A 26 -7.595 3.673 5.180 1.00 0.00 C ATOM 344 C PHE A 26 -6.634 3.178 6.256 1.00 0.00 C ATOM 345 O PHE A 26 -5.596 3.802 6.512 1.00 0.00 O ATOM 346 CB PHE A 26 -7.503 2.884 3.866 1.00 0.00 C ATOM 347 CG PHE A 26 -6.133 2.833 3.213 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.656 3.929 2.468 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.332 1.684 3.340 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.398 3.868 1.844 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.068 1.639 2.723 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.615 2.714 1.951 1.00 0.00 C ATOM 0 H PHE A 26 -6.397 5.357 4.906 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.596 3.513 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.831 1.862 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.206 3.318 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.259 4.820 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.686 0.838 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.035 4.715 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.443 0.767 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.665 2.653 1.440 1.00 0.00 H new ATOM 362 N VAL A 27 -7.000 2.075 6.907 1.00 0.00 N ATOM 363 CA VAL A 27 -6.251 1.425 7.971 1.00 0.00 C ATOM 364 C VAL A 27 -6.457 -0.080 7.772 1.00 0.00 C ATOM 365 O VAL A 27 -7.570 -0.487 7.428 1.00 0.00 O ATOM 366 CB VAL A 27 -6.763 1.878 9.362 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.703 1.570 10.426 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.137 3.370 9.458 1.00 0.00 C ATOM 0 H VAL A 27 -7.871 1.590 6.693 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.194 1.687 7.932 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.683 1.317 9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.065 1.889 11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.507 0.498 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.783 2.103 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.484 3.594 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.262 3.980 9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.930 3.593 8.744 1.00 0.00 H new ATOM 378 N ILE A 28 -5.436 -0.918 7.967 1.00 0.00 N ATOM 379 CA ILE A 28 -5.432 -2.321 7.601 1.00 0.00 C ATOM 380 C ILE A 28 -4.958 -3.110 8.812 1.00 0.00 C ATOM 381 O ILE A 28 -3.914 -2.780 9.376 1.00 0.00 O ATOM 382 CB ILE A 28 -4.495 -2.572 6.404 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.543 -1.490 5.306 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.840 -3.929 5.802 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.600 -0.310 5.592 1.00 0.00 C ATOM 0 H ILE A 28 -4.562 -0.619 8.400 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.433 -2.633 7.304 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.477 -2.542 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.277 -1.938 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.564 -1.119 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.187 -4.126 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.702 -4.706 6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.878 -3.926 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.676 0.420 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.880 0.160 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.574 -0.672 5.658 1.00 0.00 H new ATOM 397 N ILE A 29 -5.709 -4.136 9.191 1.00 0.00 N ATOM 398 CA ILE A 29 -5.577 -4.821 10.465 1.00 0.00 C ATOM 399 C ILE A 29 -5.406 -6.328 10.239 1.00 0.00 C ATOM 400 O ILE A 29 -5.787 -6.845 9.179 1.00 0.00 O ATOM 401 CB ILE A 29 -6.791 -4.447 11.344 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.162 -4.836 10.747 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.824 -2.930 11.594 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.313 -4.631 11.740 1.00 0.00 C ATOM 0 H ILE A 29 -6.446 -4.523 8.602 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.680 -4.506 10.999 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.649 -5.017 12.262 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.347 -4.241 9.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.136 -5.880 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.685 -2.682 12.215 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.910 -2.625 12.103 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.901 -2.406 10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.254 -4.919 11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.145 -5.246 12.624 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.359 -3.582 12.032 1.00 0.00 H new ATOM 416 N SER A 30 -4.864 -7.022 11.242 1.00 0.00 N ATOM 417 CA SER A 30 -4.484 -8.433 11.208 1.00 0.00 C ATOM 418 C SER A 30 -5.114 -9.156 12.405 1.00 0.00 C ATOM 419 O SER A 30 -4.826 -8.841 13.562 1.00 0.00 O ATOM 420 CB SER A 30 -2.951 -8.551 11.206 1.00 0.00 C ATOM 421 OG SER A 30 -2.544 -9.905 11.304 1.00 0.00 O ATOM 0 H SER A 30 -4.669 -6.591 12.146 1.00 0.00 H new ATOM 0 HA SER A 30 -4.854 -8.906 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.551 -8.113 10.292 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.538 -7.983 12.039 1.00 0.00 H new ATOM 0 HG SER A 30 -1.565 -9.954 11.299 1.00 0.00 H new ATOM 427 N SER A 31 -5.973 -10.134 12.130 1.00 0.00 N ATOM 428 CA SER A 31 -6.531 -11.072 13.091 1.00 0.00 C ATOM 429 C SER A 31 -6.264 -12.474 12.553 1.00 0.00 C ATOM 430 O SER A 31 -7.182 -13.174 12.123 1.00 0.00 O ATOM 431 CB SER A 31 -8.024 -10.791 13.317 1.00 0.00 C ATOM 432 OG SER A 31 -8.210 -9.560 13.994 1.00 0.00 O ATOM 0 H SER A 31 -6.314 -10.299 11.183 1.00 0.00 H new ATOM 0 HA SER A 31 -6.064 -10.969 14.070 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.543 -10.765 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.467 -11.600 13.897 1.00 0.00 H new ATOM 0 HG SER A 31 -9.168 -9.401 14.126 1.00 0.00 H new ATOM 438 N LEU A 32 -4.984 -12.852 12.533 1.00 0.00 N ATOM 439 CA LEU A 32 -4.558 -14.225 12.332 1.00 0.00 C ATOM 440 C LEU A 32 -3.192 -14.386 12.991 1.00 0.00 C ATOM 441 O LEU A 32 -2.243 -13.700 12.607 1.00 0.00 O ATOM 442 CB LEU A 32 -4.507 -14.570 10.830 1.00 0.00 C ATOM 443 CG LEU A 32 -4.725 -16.061 10.512 1.00 0.00 C ATOM 444 CD1 LEU A 32 -3.708 -17.004 11.161 1.00 0.00 C ATOM 445 CD2 LEU A 32 -6.144 -16.513 10.881 1.00 0.00 C ATOM 0 H LEU A 32 -4.210 -12.200 12.658 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.270 -14.916 12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.265 -13.985 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.540 -14.264 10.432 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.578 -16.132 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.937 -18.033 10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.705 -16.750 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.757 -16.901 12.245 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.263 -17.570 10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.309 -16.360 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.870 -15.930 10.315 1.00 0.00 H new ATOM 457 N ASN A 33 -3.096 -15.242 14.005 1.00 0.00 N ATOM 458 CA ASN A 33 -1.832 -15.790 14.495 1.00 0.00 C ATOM 459 C ASN A 33 -2.109 -17.178 15.089 1.00 0.00 C ATOM 460 O ASN A 33 -3.270 -17.530 15.332 1.00 0.00 O ATOM 461 CB ASN A 33 -1.188 -14.838 15.523 1.00 0.00 C ATOM 462 CG ASN A 33 0.333 -14.974 15.616 1.00 0.00 C ATOM 463 OD1 ASN A 33 0.906 -16.043 15.428 1.00 0.00 O ATOM 464 ND2 ASN A 33 1.019 -13.882 15.903 1.00 0.00 N ATOM 0 H ASN A 33 -3.909 -15.581 14.519 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.118 -15.890 13.677 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.437 -13.810 15.259 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.622 -15.029 16.504 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.036 -13.922 15.970 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.532 -12.999 16.057 1.00 0.00 H new ATOM 471 N ARG A 34 -1.050 -17.942 15.365 1.00 0.00 N ATOM 472 CA ARG A 34 -1.009 -19.372 15.675 1.00 0.00 C ATOM 473 C ARG A 34 -1.646 -20.250 14.592 1.00 0.00 C ATOM 474 O ARG A 34 -2.401 -19.764 13.747 1.00 0.00 O ATOM 475 CB ARG A 34 -1.623 -19.665 17.053 1.00 0.00 C ATOM 476 CG ARG A 34 -0.629 -19.533 18.207 1.00 0.00 C ATOM 477 CD ARG A 34 -1.337 -20.096 19.437 1.00 0.00 C ATOM 478 NE ARG A 34 -0.549 -19.947 20.661 1.00 0.00 N ATOM 479 CZ ARG A 34 -1.044 -19.945 21.899 1.00 0.00 C ATOM 480 NH1 ARG A 34 -2.348 -20.113 22.093 1.00 0.00 N ATOM 481 NH2 ARG A 34 -0.225 -19.758 22.926 1.00 0.00 N ATOM 0 H ARG A 34 -0.114 -17.538 15.378 1.00 0.00 H new ATOM 0 HA ARG A 34 0.047 -19.639 15.702 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.456 -18.983 17.223 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.033 -20.675 17.051 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.288 -20.084 17.998 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.346 -18.492 18.362 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.295 -19.591 19.563 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.553 -21.152 19.275 1.00 0.00 H new ATOM 0 HE ARG A 34 0.460 -19.836 20.559 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.970 -20.243 21.295 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.727 -20.112 23.040 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.772 -19.618 22.764 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.593 -19.755 23.877 1.00 0.00 H new ATOM 495 N PRO A 35 -1.322 -21.554 14.585 1.00 0.00 N ATOM 496 CA PRO A 35 -1.964 -22.523 13.722 1.00 0.00 C ATOM 497 C PRO A 35 -3.295 -22.965 14.341 1.00 0.00 C ATOM 498 O PRO A 35 -3.314 -23.714 15.322 1.00 0.00 O ATOM 499 CB PRO A 35 -0.949 -23.663 13.611 1.00 0.00 C ATOM 500 CG PRO A 35 -0.215 -23.651 14.953 1.00 0.00 C ATOM 501 CD PRO A 35 -0.226 -22.173 15.328 1.00 0.00 C ATOM 0 HA PRO A 35 -2.218 -22.136 12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.443 -24.619 13.437 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.261 -23.503 12.781 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.724 -24.262 15.699 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.800 -24.038 14.863 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.368 -22.048 16.401 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.725 -21.704 15.076 1.00 0.00 H new ATOM 509 N GLU A 36 -4.416 -22.520 13.778 1.00 0.00 N ATOM 510 CA GLU A 36 -5.692 -23.214 13.928 1.00 0.00 C ATOM 511 C GLU A 36 -5.652 -24.390 12.951 1.00 0.00 C ATOM 512 O GLU A 36 -5.724 -24.154 11.743 1.00 0.00 O ATOM 513 CB GLU A 36 -6.873 -22.265 13.636 1.00 0.00 C ATOM 514 CG GLU A 36 -7.604 -21.834 14.913 1.00 0.00 C ATOM 515 CD GLU A 36 -6.703 -21.110 15.911 1.00 0.00 C ATOM 516 OE1 GLU A 36 -6.448 -19.903 15.709 1.00 0.00 O ATOM 517 OE2 GLU A 36 -6.271 -21.735 16.909 1.00 0.00 O ATOM 0 H GLU A 36 -4.466 -21.675 13.209 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.840 -23.566 14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.505 -21.381 13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.577 -22.760 12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.435 -21.182 14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.032 -22.714 15.393 1.00 0.00 H new ATOM 524 N SER A 37 -5.463 -25.610 13.466 1.00 0.00 N ATOM 525 CA SER A 37 -5.397 -26.903 12.775 1.00 0.00 C ATOM 526 C SER A 37 -5.175 -26.819 11.256 1.00 0.00 C ATOM 527 O SER A 37 -6.095 -27.016 10.455 1.00 0.00 O ATOM 528 CB SER A 37 -6.640 -27.720 13.142 1.00 0.00 C ATOM 529 OG SER A 37 -6.615 -27.939 14.542 1.00 0.00 O ATOM 0 H SER A 37 -5.341 -25.728 14.472 1.00 0.00 H new ATOM 0 HA SER A 37 -4.498 -27.411 13.125 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.546 -27.187 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.645 -28.669 12.607 1.00 0.00 H new ATOM 0 HG SER A 37 -7.402 -28.460 14.806 1.00 0.00 H new ATOM 535 N GLY A 38 -3.933 -26.549 10.855 1.00 0.00 N ATOM 536 CA GLY A 38 -3.512 -26.473 9.470 1.00 0.00 C ATOM 537 C GLY A 38 -3.001 -25.085 9.131 1.00 0.00 C ATOM 538 O GLY A 38 -2.479 -24.369 9.994 1.00 0.00 O ATOM 0 H GLY A 38 -3.173 -26.373 11.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.729 -27.208 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.348 -26.726 8.818 1.00 0.00 H new ATOM 542 N SER A 39 -3.158 -24.699 7.868 1.00 0.00 N ATOM 543 CA SER A 39 -3.015 -23.341 7.376 1.00 0.00 C ATOM 544 C SER A 39 -4.417 -22.928 6.947 1.00 0.00 C ATOM 545 O SER A 39 -4.984 -23.550 6.050 1.00 0.00 O ATOM 546 CB SER A 39 -2.008 -23.310 6.214 1.00 0.00 C ATOM 547 OG SER A 39 -0.880 -22.513 6.517 1.00 0.00 O ATOM 0 H SER A 39 -3.400 -25.359 7.129 1.00 0.00 H new ATOM 0 HA SER A 39 -2.625 -22.651 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.685 -24.326 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.497 -22.923 5.320 1.00 0.00 H new ATOM 0 HG SER A 39 -0.262 -22.518 5.757 1.00 0.00 H new ATOM 553 N THR A 40 -5.013 -21.957 7.634 1.00 0.00 N ATOM 554 CA THR A 40 -6.351 -21.493 7.315 1.00 0.00 C ATOM 555 C THR A 40 -6.264 -20.539 6.124 1.00 0.00 C ATOM 556 O THR A 40 -5.332 -19.736 6.042 1.00 0.00 O ATOM 557 CB THR A 40 -6.968 -20.859 8.575 1.00 0.00 C ATOM 558 OG1 THR A 40 -6.114 -19.902 9.179 1.00 0.00 O ATOM 559 CG2 THR A 40 -7.252 -21.957 9.608 1.00 0.00 C ATOM 0 H THR A 40 -4.581 -21.475 8.422 1.00 0.00 H new ATOM 0 HA THR A 40 -7.010 -22.310 7.020 1.00 0.00 H new ATOM 0 HB THR A 40 -7.881 -20.354 8.261 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.207 -19.043 8.717 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.689 -21.512 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.948 -22.682 9.186 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.321 -22.459 9.871 1.00 0.00 H new ATOM 567 N ILE A 41 -7.258 -20.577 5.238 1.00 0.00 N ATOM 568 CA ILE A 41 -7.343 -19.792 3.998 1.00 0.00 C ATOM 569 C ILE A 41 -7.769 -18.335 4.288 1.00 0.00 C ATOM 570 O ILE A 41 -8.285 -17.614 3.433 1.00 0.00 O ATOM 571 CB ILE A 41 -8.273 -20.503 2.978 1.00 0.00 C ATOM 572 CG1 ILE A 41 -8.205 -22.051 3.052 1.00 0.00 C ATOM 573 CG2 ILE A 41 -7.900 -20.096 1.542 1.00 0.00 C ATOM 574 CD1 ILE A 41 -9.328 -22.650 3.910 1.00 0.00 C ATOM 0 H ILE A 41 -8.067 -21.184 5.368 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.354 -19.732 3.545 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.283 -20.189 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.264 -22.462 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.240 -22.350 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.560 -20.602 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.008 -19.017 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.867 -20.380 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.233 -23.736 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.255 -22.263 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.295 -22.377 3.486 1.00 0.00 H new ATOM 586 N THR A 42 -7.577 -17.892 5.523 1.00 0.00 N ATOM 587 CA THR A 42 -7.774 -16.545 6.013 1.00 0.00 C ATOM 588 C THR A 42 -6.893 -15.546 5.252 1.00 0.00 C ATOM 589 O THR A 42 -6.014 -15.927 4.470 1.00 0.00 O ATOM 590 CB THR A 42 -7.489 -16.589 7.528 1.00 0.00 C ATOM 591 OG1 THR A 42 -6.416 -17.477 7.834 1.00 0.00 O ATOM 592 CG2 THR A 42 -8.713 -17.139 8.264 1.00 0.00 C ATOM 0 H THR A 42 -7.255 -18.518 6.261 1.00 0.00 H new ATOM 0 HA THR A 42 -8.792 -16.194 5.845 1.00 0.00 H new ATOM 0 HB THR A 42 -7.242 -15.572 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.562 -17.031 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.510 -17.170 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.571 -16.494 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.930 -18.146 7.907 1.00 0.00 H new ATOM 600 N VAL A 43 -7.115 -14.254 5.487 1.00 0.00 N ATOM 601 CA VAL A 43 -6.401 -13.168 4.827 1.00 0.00 C ATOM 602 C VAL A 43 -5.660 -12.392 5.921 1.00 0.00 C ATOM 603 O VAL A 43 -6.249 -12.178 6.984 1.00 0.00 O ATOM 604 CB VAL A 43 -7.414 -12.308 4.043 1.00 0.00 C ATOM 605 CG1 VAL A 43 -6.753 -11.175 3.254 1.00 0.00 C ATOM 606 CG2 VAL A 43 -8.201 -13.140 3.023 1.00 0.00 C ATOM 0 H VAL A 43 -7.812 -13.928 6.157 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.669 -13.520 4.100 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.070 -11.897 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.517 -10.607 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.221 -10.516 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.049 -11.595 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.903 -12.497 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.510 -13.589 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.750 -13.926 3.541 1.00 0.00 H new ATOM 616 N PRO A 44 -4.402 -11.972 5.701 1.00 0.00 N ATOM 617 CA PRO A 44 -3.596 -11.313 6.729 1.00 0.00 C ATOM 618 C PRO A 44 -3.946 -9.831 6.892 1.00 0.00 C ATOM 619 O PRO A 44 -3.532 -9.191 7.856 1.00 0.00 O ATOM 620 CB PRO A 44 -2.167 -11.431 6.205 1.00 0.00 C ATOM 621 CG PRO A 44 -2.349 -11.317 4.694 1.00 0.00 C ATOM 622 CD PRO A 44 -3.616 -12.138 4.480 1.00 0.00 C ATOM 0 HA PRO A 44 -3.759 -11.770 7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.527 -10.640 6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.710 -12.380 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.471 -10.283 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.499 -11.724 4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.168 -11.787 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.378 -13.188 4.306 1.00 0.00 H new ATOM 630 N HIS A 45 -4.642 -9.264 5.908 1.00 0.00 N ATOM 631 CA HIS A 45 -4.835 -7.845 5.735 1.00 0.00 C ATOM 632 C HIS A 45 -6.266 -7.627 5.301 1.00 0.00 C ATOM 633 O HIS A 45 -6.675 -8.017 4.200 1.00 0.00 O ATOM 634 CB HIS A 45 -3.886 -7.303 4.666 1.00 0.00 C ATOM 635 CG HIS A 45 -2.574 -6.798 5.190 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.815 -7.298 6.227 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.930 -5.708 4.685 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.715 -6.528 6.314 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.766 -5.521 5.425 1.00 0.00 N ATOM 0 H HIS A 45 -5.103 -9.815 5.183 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.628 -7.322 6.669 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.692 -8.091 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.385 -6.493 4.133 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.044 -8.099 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.263 -5.098 3.858 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.098 -6.696 7.004 1.00 0.00 H new ATOM 647 N LYS A 46 -7.020 -6.958 6.160 1.00 0.00 N ATOM 648 CA LYS A 46 -8.324 -6.434 5.811 1.00 0.00 C ATOM 649 C LYS A 46 -8.325 -4.972 6.189 1.00 0.00 C ATOM 650 O LYS A 46 -7.739 -4.608 7.210 1.00 0.00 O ATOM 651 CB LYS A 46 -9.422 -7.231 6.531 1.00 0.00 C ATOM 652 CG LYS A 46 -9.520 -6.951 8.039 1.00 0.00 C ATOM 653 CD LYS A 46 -10.478 -7.917 8.737 1.00 0.00 C ATOM 654 CE LYS A 46 -10.496 -7.656 10.248 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.587 -8.406 10.910 1.00 0.00 N ATOM 0 H LYS A 46 -6.740 -6.765 7.122 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.529 -6.531 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.382 -7.004 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.240 -8.295 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.530 -7.033 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.858 -5.927 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.482 -7.800 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.173 -8.945 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.538 -7.945 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.620 -6.589 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.574 -8.209 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.502 -8.111 10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.453 -9.425 10.752 1.00 0.00 H new ATOM 669 N ILE A 47 -8.989 -4.138 5.400 1.00 0.00 N ATOM 670 CA ILE A 47 -9.317 -2.794 5.833 1.00 0.00 C ATOM 671 C ILE A 47 -10.088 -2.923 7.151 1.00 0.00 C ATOM 672 O ILE A 47 -11.134 -3.580 7.190 1.00 0.00 O ATOM 673 CB ILE A 47 -10.127 -2.066 4.754 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.418 -1.925 3.395 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.584 -0.682 5.240 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.043 -1.263 3.413 1.00 0.00 C ATOM 0 H ILE A 47 -9.309 -4.371 4.460 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.420 -2.196 5.992 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.989 -2.711 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.313 -2.919 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.064 -1.352 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.156 -0.191 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.209 -0.796 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.712 -0.077 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.646 -1.221 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.131 -0.252 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.368 -1.843 4.043 1.00 0.00 H new ATOM 688 N GLY A 48 -9.558 -2.315 8.210 1.00 0.00 N ATOM 689 CA GLY A 48 -10.168 -2.240 9.523 1.00 0.00 C ATOM 690 C GLY A 48 -11.099 -1.040 9.620 1.00 0.00 C ATOM 691 O GLY A 48 -12.196 -1.150 10.165 1.00 0.00 O ATOM 0 H GLY A 48 -8.654 -1.844 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.725 -3.155 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.392 -2.167 10.285 1.00 0.00 H new ATOM 695 N ARG A 49 -10.678 0.113 9.093 1.00 0.00 N ATOM 696 CA ARG A 49 -11.513 1.304 8.959 1.00 0.00 C ATOM 697 C ARG A 49 -11.060 2.050 7.713 1.00 0.00 C ATOM 698 O ARG A 49 -9.904 1.935 7.299 1.00 0.00 O ATOM 699 CB ARG A 49 -11.415 2.173 10.237 1.00 0.00 C ATOM 700 CG ARG A 49 -12.264 3.458 10.162 1.00 0.00 C ATOM 701 CD ARG A 49 -12.463 4.130 11.523 1.00 0.00 C ATOM 702 NE ARG A 49 -13.272 5.357 11.391 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.901 6.623 11.620 1.00 0.00 C ATOM 704 NH1 ARG A 49 -11.640 6.934 11.902 1.00 0.00 N ATOM 705 NH2 ARG A 49 -13.817 7.583 11.554 1.00 0.00 N ATOM 0 H ARG A 49 -9.729 0.245 8.742 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.564 1.038 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.735 1.583 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.373 2.443 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.785 4.163 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.238 3.218 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.954 3.438 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.494 4.374 11.958 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.236 5.224 11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.932 6.201 11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.380 7.905 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.785 7.350 11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.552 8.553 11.726 1.00 0.00 H new ATOM 719 N ILE A 50 -11.963 2.848 7.160 1.00 0.00 N ATOM 720 CA ILE A 50 -11.697 3.877 6.177 1.00 0.00 C ATOM 721 C ILE A 50 -12.199 5.175 6.798 1.00 0.00 C ATOM 722 O ILE A 50 -13.242 5.181 7.456 1.00 0.00 O ATOM 723 CB ILE A 50 -12.367 3.474 4.844 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.351 2.660 4.023 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.892 4.654 4.022 1.00 0.00 C ATOM 726 CD1 ILE A 50 -11.986 1.901 2.853 1.00 0.00 C ATOM 0 H ILE A 50 -12.952 2.788 7.401 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.644 4.010 5.928 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.250 2.883 5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.584 3.332 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.851 1.948 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.347 4.284 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.637 5.198 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.066 5.321 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.215 1.348 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.733 1.205 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.462 2.610 2.175 1.00 0.00 H new ATOM 738 N ILE A 51 -11.449 6.256 6.615 1.00 0.00 N ATOM 739 CA ILE A 51 -11.839 7.595 7.024 1.00 0.00 C ATOM 740 C ILE A 51 -13.016 7.983 6.136 1.00 0.00 C ATOM 741 O ILE A 51 -12.876 8.040 4.912 1.00 0.00 O ATOM 742 CB ILE A 51 -10.661 8.575 6.882 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.403 8.136 7.660 1.00 0.00 C ATOM 744 CG2 ILE A 51 -11.066 10.009 7.260 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.583 7.874 9.155 1.00 0.00 C ATOM 0 H ILE A 51 -10.533 6.222 6.168 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.127 7.628 8.075 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.393 8.561 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.016 7.227 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.640 8.905 7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.208 10.671 7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.871 10.344 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.407 10.030 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.630 7.573 9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.933 8.783 9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.315 7.079 9.300 1.00 0.00 H new ATOM 757 N ASP A 52 -14.165 8.229 6.751 1.00 0.00 N ATOM 758 CA ASP A 52 -15.359 8.740 6.085 1.00 0.00 C ATOM 759 C ASP A 52 -14.984 10.010 5.330 1.00 0.00 C ATOM 760 O ASP A 52 -14.443 10.936 5.936 1.00 0.00 O ATOM 761 CB ASP A 52 -16.416 9.040 7.149 1.00 0.00 C ATOM 762 CG ASP A 52 -17.771 9.445 6.563 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.868 10.399 5.755 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.772 8.818 6.972 1.00 0.00 O ATOM 0 H ASP A 52 -14.297 8.076 7.751 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.759 8.011 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.549 8.159 7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.054 9.840 7.795 1.00 0.00 H new ATOM 769 N GLY A 53 -15.245 10.064 4.027 1.00 0.00 N ATOM 770 CA GLY A 53 -14.993 11.254 3.227 1.00 0.00 C ATOM 771 C GLY A 53 -13.588 11.339 2.645 1.00 0.00 C ATOM 772 O GLY A 53 -13.286 12.288 1.921 1.00 0.00 O ATOM 0 H GLY A 53 -15.636 9.284 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.714 11.286 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.171 12.135 3.844 1.00 0.00 H new ATOM 776 N SER A 54 -12.721 10.366 2.915 1.00 0.00 N ATOM 777 CA SER A 54 -11.402 10.362 2.307 1.00 0.00 C ATOM 778 C SER A 54 -11.464 10.083 0.805 1.00 0.00 C ATOM 779 O SER A 54 -12.469 9.578 0.294 1.00 0.00 O ATOM 780 CB SER A 54 -10.528 9.323 2.994 1.00 0.00 C ATOM 781 OG SER A 54 -11.112 8.032 2.973 1.00 0.00 O ATOM 0 H SER A 54 -12.908 9.583 3.542 1.00 0.00 H new ATOM 0 HA SER A 54 -10.971 11.355 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.555 9.288 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.353 9.624 4.027 1.00 0.00 H new ATOM 0 HG SER A 54 -11.841 7.992 3.627 1.00 0.00 H new ATOM 787 N PRO A 55 -10.340 10.265 0.092 1.00 0.00 N ATOM 788 CA PRO A 55 -10.177 9.668 -1.218 1.00 0.00 C ATOM 789 C PRO A 55 -10.329 8.141 -1.199 1.00 0.00 C ATOM 790 O PRO A 55 -10.744 7.588 -2.218 1.00 0.00 O ATOM 791 CB PRO A 55 -8.812 10.123 -1.735 1.00 0.00 C ATOM 792 CG PRO A 55 -8.120 10.855 -0.585 1.00 0.00 C ATOM 793 CD PRO A 55 -9.196 11.075 0.478 1.00 0.00 C ATOM 0 HA PRO A 55 -10.969 10.000 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.219 9.269 -2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.926 10.780 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.293 10.266 -0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.703 11.804 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.831 10.784 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.471 12.128 0.538 1.00 0.00 H new ATOM 801 N ALA A 56 -10.026 7.449 -0.085 1.00 0.00 N ATOM 802 CA ALA A 56 -10.237 6.004 -0.017 1.00 0.00 C ATOM 803 C ALA A 56 -11.735 5.686 -0.035 1.00 0.00 C ATOM 804 O ALA A 56 -12.184 4.943 -0.901 1.00 0.00 O ATOM 805 CB ALA A 56 -9.540 5.403 1.207 1.00 0.00 C ATOM 0 H ALA A 56 -9.641 7.865 0.763 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.788 5.543 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.713 4.327 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.469 5.597 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.941 5.857 2.113 1.00 0.00 H new ATOM 811 N ASP A 57 -12.500 6.284 0.882 1.00 0.00 N ATOM 812 CA ASP A 57 -13.953 6.126 0.995 1.00 0.00 C ATOM 813 C ASP A 57 -14.633 6.401 -0.339 1.00 0.00 C ATOM 814 O ASP A 57 -15.327 5.551 -0.892 1.00 0.00 O ATOM 815 CB ASP A 57 -14.488 7.092 2.062 1.00 0.00 C ATOM 816 CG ASP A 57 -16.010 7.075 2.169 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.606 5.987 2.307 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.599 8.182 2.244 1.00 0.00 O ATOM 0 H ASP A 57 -12.114 6.911 1.588 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.173 5.098 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.058 6.831 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.157 8.104 1.828 1.00 0.00 H new ATOM 823 N ARG A 58 -14.365 7.583 -0.894 1.00 0.00 N ATOM 824 CA ARG A 58 -14.989 8.056 -2.125 1.00 0.00 C ATOM 825 C ARG A 58 -14.521 7.282 -3.356 1.00 0.00 C ATOM 826 O ARG A 58 -15.082 7.469 -4.433 1.00 0.00 O ATOM 827 CB ARG A 58 -14.746 9.566 -2.260 1.00 0.00 C ATOM 828 CG ARG A 58 -15.444 10.317 -1.118 1.00 0.00 C ATOM 829 CD ARG A 58 -15.277 11.837 -1.165 1.00 0.00 C ATOM 830 NE ARG A 58 -15.977 12.425 -0.016 1.00 0.00 N ATOM 831 CZ ARG A 58 -15.665 13.537 0.658 1.00 0.00 C ATOM 832 NH1 ARG A 58 -14.731 14.378 0.215 1.00 0.00 N ATOM 833 NH2 ARG A 58 -16.286 13.798 1.801 1.00 0.00 N ATOM 0 H ARG A 58 -13.700 8.245 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.062 7.873 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.676 9.773 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.122 9.918 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.508 10.080 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.056 9.950 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.220 12.102 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.682 12.233 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.804 11.923 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.237 14.179 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.510 15.220 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.992 13.154 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.057 14.643 2.324 1.00 0.00 H new ATOM 847 N CYS A 59 -13.526 6.396 -3.240 1.00 0.00 N ATOM 848 CA CYS A 59 -13.207 5.460 -4.308 1.00 0.00 C ATOM 849 C CYS A 59 -14.295 4.388 -4.427 1.00 0.00 C ATOM 850 O CYS A 59 -14.503 3.886 -5.529 1.00 0.00 O ATOM 851 CB CYS A 59 -11.848 4.806 -4.029 1.00 0.00 C ATOM 852 SG CYS A 59 -11.187 4.030 -5.531 1.00 0.00 S ATOM 0 H CYS A 59 -12.932 6.312 -2.415 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.158 6.004 -5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.147 5.556 -3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.954 4.058 -3.244 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.907 4.244 -5.602 1.00 0.00 H new ATOM 858 N ALA A 60 -14.955 4.014 -3.321 1.00 0.00 N ATOM 859 CA ALA A 60 -15.952 2.954 -3.131 1.00 0.00 C ATOM 860 C ALA A 60 -15.518 1.531 -3.519 1.00 0.00 C ATOM 861 O ALA A 60 -15.999 0.565 -2.930 1.00 0.00 O ATOM 862 CB ALA A 60 -17.261 3.341 -3.821 1.00 0.00 C ATOM 0 H ALA A 60 -14.783 4.502 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.089 2.890 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.997 2.550 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.638 4.270 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.083 3.480 -4.887 1.00 0.00 H new ATOM 868 N LYS A 61 -14.626 1.375 -4.494 1.00 0.00 N ATOM 869 CA LYS A 61 -13.951 0.132 -4.849 1.00 0.00 C ATOM 870 C LYS A 61 -12.944 -0.305 -3.787 1.00 0.00 C ATOM 871 O LYS A 61 -12.434 -1.416 -3.899 1.00 0.00 O ATOM 872 CB LYS A 61 -13.275 0.302 -6.209 1.00 0.00 C ATOM 873 CG LYS A 61 -14.333 0.396 -7.322 1.00 0.00 C ATOM 874 CD LYS A 61 -14.016 -0.537 -8.494 1.00 0.00 C ATOM 875 CE LYS A 61 -14.127 -2.014 -8.098 1.00 0.00 C ATOM 876 NZ LYS A 61 -13.702 -2.929 -9.176 1.00 0.00 N ATOM 0 H LYS A 61 -14.341 2.154 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.698 -0.660 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.659 1.201 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.610 -0.540 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.312 0.146 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.391 1.423 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.700 -0.330 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.009 -0.334 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.517 -2.195 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.159 -2.236 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.798 -3.913 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.299 -2.779 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.709 -2.740 -9.421 1.00 0.00 H new ATOM 890 N LEU A 62 -12.663 0.548 -2.796 1.00 0.00 N ATOM 891 CA LEU A 62 -12.114 0.130 -1.514 1.00 0.00 C ATOM 892 C LEU A 62 -13.239 0.238 -0.496 1.00 0.00 C ATOM 893 O LEU A 62 -13.901 1.281 -0.431 1.00 0.00 O ATOM 894 CB LEU A 62 -10.930 1.011 -1.050 1.00 0.00 C ATOM 895 CG LEU A 62 -9.604 0.276 -0.740 1.00 0.00 C ATOM 896 CD1 LEU A 62 -8.786 1.094 0.271 1.00 0.00 C ATOM 897 CD2 LEU A 62 -9.738 -1.141 -0.171 1.00 0.00 C ATOM 0 H LEU A 62 -12.814 1.554 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.729 -0.885 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.735 1.755 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.237 1.553 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.121 0.179 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.852 0.575 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.566 2.076 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.358 1.212 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.746 -1.557 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.290 -1.105 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.273 -1.770 -0.883 1.00 0.00 H new ATOM 909 N LYS A 63 -13.431 -0.799 0.313 1.00 0.00 N ATOM 910 CA LYS A 63 -14.315 -0.786 1.474 1.00 0.00 C ATOM 911 C LYS A 63 -13.681 -1.529 2.644 1.00 0.00 C ATOM 912 O LYS A 63 -12.656 -2.202 2.506 1.00 0.00 O ATOM 913 CB LYS A 63 -15.696 -1.330 1.071 1.00 0.00 C ATOM 914 CG LYS A 63 -15.688 -2.790 0.582 1.00 0.00 C ATOM 915 CD LYS A 63 -17.005 -3.184 -0.092 1.00 0.00 C ATOM 916 CE LYS A 63 -17.190 -2.452 -1.422 1.00 0.00 C ATOM 917 NZ LYS A 63 -18.370 -2.946 -2.160 1.00 0.00 N ATOM 0 H LYS A 63 -12.964 -1.695 0.176 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.464 0.236 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.368 -1.250 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.106 -0.698 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.866 -2.931 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.502 -3.453 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.021 -4.261 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.839 -2.953 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.298 -1.383 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.298 -2.581 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.462 -2.426 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.255 -3.960 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.225 -2.800 -1.586 1.00 0.00 H new ATOM 931 N VAL A 64 -14.282 -1.398 3.825 1.00 0.00 N ATOM 932 CA VAL A 64 -13.876 -2.141 5.010 1.00 0.00 C ATOM 933 C VAL A 64 -14.003 -3.643 4.696 1.00 0.00 C ATOM 934 O VAL A 64 -14.956 -4.051 4.033 1.00 0.00 O ATOM 935 CB VAL A 64 -14.684 -1.637 6.226 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.318 -2.367 7.527 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.441 -0.129 6.449 1.00 0.00 C ATOM 0 H VAL A 64 -15.069 -0.769 3.985 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.833 -1.977 5.282 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.730 -1.837 5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.917 -1.971 8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.516 -3.433 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.261 -2.216 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.018 0.209 7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.381 0.046 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.752 0.425 5.563 1.00 0.00 H new ATOM 947 N GLY A 65 -13.043 -4.469 5.123 1.00 0.00 N ATOM 948 CA GLY A 65 -13.121 -5.920 4.980 1.00 0.00 C ATOM 949 C GLY A 65 -12.682 -6.483 3.625 1.00 0.00 C ATOM 950 O GLY A 65 -12.783 -7.690 3.424 1.00 0.00 O ATOM 0 H GLY A 65 -12.189 -4.146 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.507 -6.376 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.150 -6.229 5.164 1.00 0.00 H new ATOM 954 N ASP A 66 -12.179 -5.665 2.693 1.00 0.00 N ATOM 955 CA ASP A 66 -12.041 -6.025 1.267 1.00 0.00 C ATOM 956 C ASP A 66 -11.147 -7.221 0.894 1.00 0.00 C ATOM 957 O ASP A 66 -11.139 -7.625 -0.267 1.00 0.00 O ATOM 958 CB ASP A 66 -11.544 -4.805 0.464 1.00 0.00 C ATOM 959 CG ASP A 66 -12.531 -4.311 -0.591 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.397 -5.101 -1.038 1.00 0.00 O ATOM 961 OD2 ASP A 66 -12.427 -3.115 -0.912 1.00 0.00 O ATOM 0 H ASP A 66 -11.851 -4.723 2.905 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.051 -6.346 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.330 -3.990 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.605 -5.063 -0.025 1.00 0.00 H new ATOM 966 N ARG A 67 -10.412 -7.818 1.837 1.00 0.00 N ATOM 967 CA ARG A 67 -9.302 -8.751 1.673 1.00 0.00 C ATOM 968 C ARG A 67 -8.225 -8.293 0.684 1.00 0.00 C ATOM 969 O ARG A 67 -8.427 -8.358 -0.523 1.00 0.00 O ATOM 970 CB ARG A 67 -9.858 -10.133 1.297 1.00 0.00 C ATOM 971 CG ARG A 67 -10.691 -10.706 2.455 1.00 0.00 C ATOM 972 CD ARG A 67 -11.394 -12.002 2.064 1.00 0.00 C ATOM 973 NE ARG A 67 -12.582 -11.682 1.264 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.481 -12.516 0.750 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.436 -13.815 1.013 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.423 -12.005 -0.026 1.00 0.00 N ATOM 0 H ARG A 67 -10.599 -7.642 2.824 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.785 -8.799 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.474 -10.053 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.038 -10.810 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.043 -10.889 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.433 -9.971 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.718 -12.639 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.680 -12.558 2.956 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.738 -10.691 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.704 -14.188 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.133 -14.441 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.442 -11.002 -0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.130 -12.614 -0.438 1.00 0.00 H new ATOM 990 N ILE A 68 -7.065 -7.858 1.185 1.00 0.00 N ATOM 991 CA ILE A 68 -5.953 -7.374 0.359 1.00 0.00 C ATOM 992 C ILE A 68 -4.951 -8.509 0.148 1.00 0.00 C ATOM 993 O ILE A 68 -4.510 -9.110 1.124 1.00 0.00 O ATOM 994 CB ILE A 68 -5.258 -6.175 1.042 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.238 -4.995 1.194 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.010 -5.704 0.263 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.803 -4.012 2.275 1.00 0.00 C ATOM 0 H ILE A 68 -6.869 -7.831 2.186 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.340 -7.044 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.936 -6.517 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.321 -4.470 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.230 -5.379 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.555 -4.860 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.291 -6.521 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.302 -5.399 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.527 -3.200 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.747 -4.527 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.824 -3.605 2.024 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.561 -8.770 -1.105 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.558 -9.764 -1.464 1.00 0.00 C ATOM 1011 C LEU A 69 -2.205 -9.159 -1.846 1.00 0.00 C ATOM 1012 O LEU A 69 -1.188 -9.859 -1.789 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.065 -10.532 -2.682 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.377 -11.309 -2.510 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.320 -12.350 -1.385 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -6.631 -10.447 -2.364 1.00 0.00 C ATOM 0 H LEU A 69 -4.947 -8.281 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.408 -10.393 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.194 -9.824 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.290 -11.236 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.473 -11.829 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.279 -12.864 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.534 -13.075 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.106 -11.852 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.503 -11.090 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.533 -9.807 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.752 -9.828 -3.253 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.172 -7.897 -2.288 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.937 -7.222 -2.691 1.00 0.00 C ATOM 1030 C ALA A 70 -1.071 -5.697 -2.570 1.00 0.00 C ATOM 1031 O ALA A 70 -2.176 -5.156 -2.526 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.593 -7.601 -4.145 1.00 0.00 C ATOM 0 H ALA A 70 -3.005 -7.315 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.137 -7.545 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.327 -7.098 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.456 -8.680 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.406 -7.293 -4.803 1.00 0.00 H new ATOM 1038 N VAL A 71 0.062 -4.998 -2.603 1.00 0.00 N ATOM 1039 CA VAL A 71 0.186 -3.547 -2.531 1.00 0.00 C ATOM 1040 C VAL A 71 1.128 -3.127 -3.642 1.00 0.00 C ATOM 1041 O VAL A 71 2.248 -3.616 -3.697 1.00 0.00 O ATOM 1042 CB VAL A 71 0.661 -3.121 -1.128 1.00 0.00 C ATOM 1043 CG1 VAL A 71 2.120 -3.453 -0.815 1.00 0.00 C ATOM 1044 CG2 VAL A 71 0.448 -1.623 -0.853 1.00 0.00 C ATOM 0 H VAL A 71 0.969 -5.457 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.771 -3.046 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 71 0.029 -3.719 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.362 -3.116 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.271 -4.530 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.769 -2.950 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.802 -1.383 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.004 -1.036 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.613 -1.386 -0.930 1.00 0.00 H new ATOM 1054 N ASN A 72 0.680 -2.275 -4.560 1.00 0.00 N ATOM 1055 CA ASN A 72 1.518 -1.750 -5.638 1.00 0.00 C ATOM 1056 C ASN A 72 2.237 -2.846 -6.452 1.00 0.00 C ATOM 1057 O ASN A 72 3.315 -2.613 -6.990 1.00 0.00 O ATOM 1058 CB ASN A 72 2.481 -0.694 -5.063 1.00 0.00 C ATOM 1059 CG ASN A 72 2.591 0.490 -6.000 1.00 0.00 C ATOM 1060 OD1 ASN A 72 3.553 0.643 -6.737 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.589 1.352 -5.967 1.00 0.00 N ATOM 0 H ASN A 72 -0.279 -1.927 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 72 0.868 -1.269 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.125 -0.362 -4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.465 -1.136 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.604 2.175 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.801 1.194 -5.339 1.00 0.00 H new ATOM 1068 N GLY A 73 1.669 -4.057 -6.513 1.00 0.00 N ATOM 1069 CA GLY A 73 2.223 -5.221 -7.196 1.00 0.00 C ATOM 1070 C GLY A 73 3.115 -6.110 -6.318 1.00 0.00 C ATOM 1071 O GLY A 73 3.564 -7.151 -6.807 1.00 0.00 O ATOM 0 H GLY A 73 0.773 -4.255 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.402 -5.823 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.803 -4.881 -8.054 1.00 0.00 H new ATOM 1075 N GLN A 74 3.369 -5.753 -5.053 1.00 0.00 N ATOM 1076 CA GLN A 74 4.193 -6.507 -4.110 1.00 0.00 C ATOM 1077 C GLN A 74 3.283 -7.408 -3.279 1.00 0.00 C ATOM 1078 O GLN A 74 2.281 -6.938 -2.727 1.00 0.00 O ATOM 1079 CB GLN A 74 4.988 -5.536 -3.217 1.00 0.00 C ATOM 1080 CG GLN A 74 6.339 -5.153 -3.849 1.00 0.00 C ATOM 1081 CD GLN A 74 7.463 -6.075 -3.374 1.00 0.00 C ATOM 1082 OE1 GLN A 74 7.276 -7.286 -3.263 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.626 -5.525 -3.057 1.00 0.00 N ATOM 0 H GLN A 74 2.990 -4.898 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 74 4.912 -7.128 -4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.399 -4.635 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.159 -5.995 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.261 -5.203 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.581 -4.121 -3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.758 -4.519 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.389 -6.108 -2.713 1.00 0.00 H new ATOM 1092 N SER A 75 3.607 -8.700 -3.198 1.00 0.00 N ATOM 1093 CA SER A 75 2.944 -9.634 -2.302 1.00 0.00 C ATOM 1094 C SER A 75 3.142 -9.180 -0.854 1.00 0.00 C ATOM 1095 O SER A 75 4.263 -9.163 -0.360 1.00 0.00 O ATOM 1096 CB SER A 75 3.449 -11.073 -2.517 1.00 0.00 C ATOM 1097 OG SER A 75 4.764 -11.179 -3.039 1.00 0.00 O ATOM 0 H SER A 75 4.344 -9.126 -3.760 1.00 0.00 H new ATOM 0 HA SER A 75 1.877 -9.639 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.410 -11.601 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.764 -11.584 -3.194 1.00 0.00 H new ATOM 0 HG SER A 75 5.000 -12.125 -3.141 1.00 0.00 H new ATOM 1103 N ILE A 76 2.059 -8.845 -0.158 1.00 0.00 N ATOM 1104 CA ILE A 76 2.080 -8.431 1.246 1.00 0.00 C ATOM 1105 C ILE A 76 2.151 -9.616 2.227 1.00 0.00 C ATOM 1106 O ILE A 76 1.910 -9.436 3.421 1.00 0.00 O ATOM 1107 CB ILE A 76 0.884 -7.494 1.520 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.513 -8.070 1.203 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.012 -6.214 0.702 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.147 -8.719 2.413 1.00 0.00 C ATOM 0 H ILE A 76 1.122 -8.853 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 76 3.002 -7.878 1.425 1.00 0.00 H new ATOM 0 HB ILE A 76 0.938 -7.330 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.160 -7.272 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.429 -8.803 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.161 -5.565 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.934 -5.700 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.033 -6.461 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.128 -9.110 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.514 -9.535 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.256 -7.980 3.207 1.00 0.00 H new ATOM 1122 N ILE A 77 2.423 -10.827 1.728 1.00 0.00 N ATOM 1123 CA ILE A 77 2.425 -12.067 2.497 1.00 0.00 C ATOM 1124 C ILE A 77 3.475 -11.976 3.603 1.00 0.00 C ATOM 1125 O ILE A 77 3.113 -11.926 4.776 1.00 0.00 O ATOM 1126 CB ILE A 77 2.623 -13.293 1.577 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.416 -13.375 0.613 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.785 -14.592 2.403 1.00 0.00 C ATOM 1129 CD1 ILE A 77 1.512 -14.503 -0.411 1.00 0.00 C ATOM 0 H ILE A 77 2.655 -10.971 0.745 1.00 0.00 H new ATOM 0 HA ILE A 77 1.454 -12.206 2.972 1.00 0.00 H new ATOM 0 HB ILE A 77 3.541 -13.180 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.506 -13.506 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.321 -12.426 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.923 -15.437 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.654 -14.503 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.893 -14.752 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.628 -14.492 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.403 -14.363 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.574 -15.460 0.107 1.00 0.00 H new ATOM 1141 N ASN A 78 4.761 -11.998 3.256 1.00 0.00 N ATOM 1142 CA ASN A 78 5.797 -12.082 4.273 1.00 0.00 C ATOM 1143 C ASN A 78 6.323 -10.709 4.657 1.00 0.00 C ATOM 1144 O ASN A 78 6.807 -10.540 5.775 1.00 0.00 O ATOM 1145 CB ASN A 78 6.936 -12.988 3.809 1.00 0.00 C ATOM 1146 CG ASN A 78 7.626 -13.579 5.024 1.00 0.00 C ATOM 1147 OD1 ASN A 78 8.758 -13.237 5.351 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.947 -14.480 5.713 1.00 0.00 N ATOM 0 H ASN A 78 5.102 -11.959 2.296 1.00 0.00 H new ATOM 0 HA ASN A 78 5.347 -12.519 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.548 -13.783 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.649 -12.420 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.363 -14.910 6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.007 -14.746 5.418 1.00 0.00 H new ATOM 1155 N MET A 79 6.198 -9.738 3.750 1.00 0.00 N ATOM 1156 CA MET A 79 6.576 -8.350 3.953 1.00 0.00 C ATOM 1157 C MET A 79 6.008 -7.826 5.281 1.00 0.00 C ATOM 1158 O MET A 79 4.827 -8.051 5.570 1.00 0.00 O ATOM 1159 CB MET A 79 6.070 -7.500 2.772 1.00 0.00 C ATOM 1160 CG MET A 79 7.240 -6.942 1.967 1.00 0.00 C ATOM 1161 SD MET A 79 6.852 -6.103 0.397 1.00 0.00 S ATOM 1162 CE MET A 79 5.582 -4.901 0.879 1.00 0.00 C ATOM 0 H MET A 79 5.815 -9.910 2.820 1.00 0.00 H new ATOM 0 HA MET A 79 7.663 -8.279 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.435 -8.107 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.455 -6.681 3.145 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.780 -6.238 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.922 -7.764 1.750 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.359 -4.249 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.677 -5.429 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.946 -4.302 1.713 1.00 0.00 H new ATOM 1172 N PRO A 80 6.807 -7.116 6.092 1.00 0.00 N ATOM 1173 CA PRO A 80 6.330 -6.524 7.330 1.00 0.00 C ATOM 1174 C PRO A 80 5.369 -5.377 7.010 1.00 0.00 C ATOM 1175 O PRO A 80 5.447 -4.759 5.940 1.00 0.00 O ATOM 1176 CB PRO A 80 7.593 -6.050 8.057 1.00 0.00 C ATOM 1177 CG PRO A 80 8.560 -5.740 6.916 1.00 0.00 C ATOM 1178 CD PRO A 80 8.208 -6.795 5.875 1.00 0.00 C ATOM 0 HA PRO A 80 5.770 -7.219 7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.398 -5.170 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.988 -6.819 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.420 -4.730 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.599 -5.818 7.235 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.370 -6.417 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.834 -7.680 5.989 1.00 0.00 H new ATOM 1186 N HIS A 81 4.502 -5.039 7.967 1.00 0.00 N ATOM 1187 CA HIS A 81 3.606 -3.894 7.848 1.00 0.00 C ATOM 1188 C HIS A 81 4.396 -2.609 7.581 1.00 0.00 C ATOM 1189 O HIS A 81 3.909 -1.744 6.863 1.00 0.00 O ATOM 1190 CB HIS A 81 2.754 -3.732 9.114 1.00 0.00 C ATOM 1191 CG HIS A 81 1.553 -4.640 9.211 1.00 0.00 C ATOM 1192 ND1 HIS A 81 0.242 -4.219 9.183 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.547 -5.994 9.424 1.00 0.00 C ATOM 1194 CE1 HIS A 81 -0.544 -5.291 9.363 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.207 -6.400 9.510 1.00 0.00 N ATOM 0 H HIS A 81 4.404 -5.552 8.843 1.00 0.00 H new ATOM 0 HA HIS A 81 2.943 -4.078 7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.389 -3.905 9.983 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.412 -2.699 9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.415 -6.631 9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.624 -5.268 9.387 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.133 -7.351 9.656 1.00 0.00 H new ATOM 1203 N ALA A 82 5.612 -2.475 8.114 1.00 0.00 N ATOM 1204 CA ALA A 82 6.464 -1.318 7.892 1.00 0.00 C ATOM 1205 C ALA A 82 6.830 -1.147 6.424 1.00 0.00 C ATOM 1206 O ALA A 82 6.758 -0.018 5.941 1.00 0.00 O ATOM 1207 CB ALA A 82 7.728 -1.460 8.737 1.00 0.00 C ATOM 0 H ALA A 82 6.033 -3.180 8.719 1.00 0.00 H new ATOM 0 HA ALA A 82 5.911 -0.427 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.372 -0.596 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.456 -1.519 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.259 -2.367 8.448 1.00 0.00 H new ATOM 1213 N ASP A 83 7.194 -2.221 5.724 1.00 0.00 N ATOM 1214 CA ASP A 83 7.493 -2.159 4.296 1.00 0.00 C ATOM 1215 C ASP A 83 6.213 -1.778 3.566 1.00 0.00 C ATOM 1216 O ASP A 83 6.234 -0.885 2.731 1.00 0.00 O ATOM 1217 CB ASP A 83 8.026 -3.492 3.744 1.00 0.00 C ATOM 1218 CG ASP A 83 9.536 -3.681 3.890 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.114 -3.305 4.933 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.154 -4.278 2.976 1.00 0.00 O ATOM 0 H ASP A 83 7.289 -3.152 6.129 1.00 0.00 H new ATOM 0 HA ASP A 83 8.278 -1.419 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.519 -4.311 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.764 -3.564 2.688 1.00 0.00 H new ATOM 1225 N ILE A 84 5.086 -2.409 3.900 1.00 0.00 N ATOM 1226 CA ILE A 84 3.800 -2.174 3.250 1.00 0.00 C ATOM 1227 C ILE A 84 3.356 -0.715 3.445 1.00 0.00 C ATOM 1228 O ILE A 84 2.835 -0.110 2.512 1.00 0.00 O ATOM 1229 CB ILE A 84 2.772 -3.195 3.812 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.193 -4.643 3.461 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.344 -2.939 3.293 1.00 0.00 C ATOM 1232 CD1 ILE A 84 2.541 -5.732 4.315 1.00 0.00 C ATOM 0 H ILE A 84 5.043 -3.108 4.641 1.00 0.00 H new ATOM 0 HA ILE A 84 3.880 -2.325 2.173 1.00 0.00 H new ATOM 0 HB ILE A 84 2.764 -3.064 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.953 -4.831 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.275 -4.724 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.665 -3.680 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.022 -1.941 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.333 -3.015 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.899 -6.710 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.801 -5.577 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.458 -5.686 4.199 1.00 0.00 H new ATOM 1244 N VAL A 85 3.548 -0.129 4.627 1.00 0.00 N ATOM 1245 CA VAL A 85 3.325 1.289 4.873 1.00 0.00 C ATOM 1246 C VAL A 85 4.235 2.107 3.966 1.00 0.00 C ATOM 1247 O VAL A 85 3.778 3.021 3.279 1.00 0.00 O ATOM 1248 CB VAL A 85 3.519 1.593 6.366 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.692 3.087 6.670 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.327 1.077 7.180 1.00 0.00 C ATOM 0 H VAL A 85 3.868 -0.638 5.451 1.00 0.00 H new ATOM 0 HA VAL A 85 2.300 1.568 4.630 1.00 0.00 H new ATOM 0 HB VAL A 85 4.439 1.082 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.824 3.227 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.568 3.466 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.807 3.630 6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.483 1.302 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.414 1.563 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.236 -0.001 7.048 1.00 0.00 H new ATOM 1260 N LYS A 86 5.531 1.797 3.940 1.00 0.00 N ATOM 1261 CA LYS A 86 6.465 2.565 3.149 1.00 0.00 C ATOM 1262 C LYS A 86 6.172 2.492 1.657 1.00 0.00 C ATOM 1263 O LYS A 86 6.328 3.515 0.999 1.00 0.00 O ATOM 1264 CB LYS A 86 7.877 2.121 3.530 1.00 0.00 C ATOM 1265 CG LYS A 86 8.563 3.166 4.430 1.00 0.00 C ATOM 1266 CD LYS A 86 9.597 2.527 5.367 1.00 0.00 C ATOM 1267 CE LYS A 86 10.075 3.549 6.410 1.00 0.00 C ATOM 1268 NZ LYS A 86 11.220 4.356 5.946 1.00 0.00 N ATOM 0 H LYS A 86 5.947 1.023 4.457 1.00 0.00 H new ATOM 0 HA LYS A 86 6.361 3.627 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.833 1.163 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.469 1.968 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.052 3.916 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.809 3.685 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.159 1.664 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.446 2.163 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.249 4.213 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.354 3.024 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.497 5.026 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.021 3.729 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.950 4.882 5.090 1.00 0.00 H new ATOM 1282 N LEU A 87 5.680 1.365 1.144 1.00 0.00 N ATOM 1283 CA LEU A 87 5.230 1.124 -0.205 1.00 0.00 C ATOM 1284 C LEU A 87 4.017 1.999 -0.534 1.00 0.00 C ATOM 1285 O LEU A 87 3.940 2.552 -1.623 1.00 0.00 O ATOM 1286 CB LEU A 87 4.867 -0.372 -0.250 1.00 0.00 C ATOM 1287 CG LEU A 87 5.998 -1.412 -0.419 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.879 -2.172 -1.734 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.435 -0.908 -0.321 1.00 0.00 C ATOM 0 H LEU A 87 5.582 0.530 1.722 1.00 0.00 H new ATOM 0 HA LEU A 87 5.993 1.372 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.336 -0.610 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.163 -0.515 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 87 5.832 -2.048 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.693 -2.893 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.925 -2.698 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.934 -1.470 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.123 -1.742 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.612 -0.160 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.598 -0.461 0.660 1.00 0.00 H new ATOM 1301 N ILE A 88 3.059 2.160 0.384 1.00 0.00 N ATOM 1302 CA ILE A 88 1.892 3.023 0.182 1.00 0.00 C ATOM 1303 C ILE A 88 2.357 4.477 0.122 1.00 0.00 C ATOM 1304 O ILE A 88 1.900 5.250 -0.714 1.00 0.00 O ATOM 1305 CB ILE A 88 0.909 2.823 1.349 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.261 1.424 1.271 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.172 3.919 1.440 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.316 0.946 2.609 1.00 0.00 C ATOM 0 H ILE A 88 3.072 1.694 1.291 1.00 0.00 H new ATOM 0 HA ILE A 88 1.389 2.769 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 88 1.497 2.903 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.534 1.441 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.005 0.706 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.829 3.713 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.305 4.889 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.757 3.930 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.756 -0.043 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.480 0.897 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.083 1.644 2.945 1.00 0.00 H new ATOM 1320 N LYS A 89 3.231 4.865 1.053 1.00 0.00 N ATOM 1321 CA LYS A 89 3.764 6.218 1.128 1.00 0.00 C ATOM 1322 C LYS A 89 4.541 6.535 -0.151 1.00 0.00 C ATOM 1323 O LYS A 89 4.412 7.627 -0.694 1.00 0.00 O ATOM 1324 CB LYS A 89 4.638 6.324 2.385 1.00 0.00 C ATOM 1325 CG LYS A 89 4.593 7.719 3.013 1.00 0.00 C ATOM 1326 CD LYS A 89 5.606 7.774 4.163 1.00 0.00 C ATOM 1327 CE LYS A 89 5.375 9.004 5.041 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.304 8.626 6.466 1.00 0.00 N ATOM 0 H LYS A 89 3.588 4.243 1.778 1.00 0.00 H new ATOM 0 HA LYS A 89 2.963 6.953 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.306 5.588 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.668 6.077 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.828 8.477 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.590 7.935 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.524 6.871 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.618 7.796 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.182 9.721 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.450 9.499 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.147 9.477 7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.518 7.960 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.197 8.175 6.750 1.00 0.00 H new ATOM 1342 N ASP A 90 5.278 5.546 -0.659 1.00 0.00 N ATOM 1343 CA ASP A 90 6.010 5.609 -1.917 1.00 0.00 C ATOM 1344 C ASP A 90 5.054 5.827 -3.074 1.00 0.00 C ATOM 1345 O ASP A 90 5.329 6.663 -3.939 1.00 0.00 O ATOM 1346 CB ASP A 90 6.792 4.312 -2.154 1.00 0.00 C ATOM 1347 CG ASP A 90 8.109 4.601 -2.869 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.142 5.148 -3.991 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.146 4.270 -2.250 1.00 0.00 O ATOM 0 H ASP A 90 5.383 4.649 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 90 6.708 6.444 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.990 3.821 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.192 3.623 -2.749 1.00 0.00 H new ATOM 1354 N ALA A 91 3.916 5.114 -3.072 1.00 0.00 N ATOM 1355 CA ALA A 91 2.958 5.158 -4.172 1.00 0.00 C ATOM 1356 C ALA A 91 2.507 6.603 -4.440 1.00 0.00 C ATOM 1357 O ALA A 91 2.356 7.008 -5.600 1.00 0.00 O ATOM 1358 CB ALA A 91 1.785 4.218 -3.871 1.00 0.00 C ATOM 0 H ALA A 91 3.641 4.496 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 91 3.433 4.808 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.071 4.252 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.156 3.200 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.293 4.533 -2.950 1.00 0.00 H new ATOM 1364 N GLY A 92 2.406 7.398 -3.372 1.00 0.00 N ATOM 1365 CA GLY A 92 2.460 8.844 -3.408 1.00 0.00 C ATOM 1366 C GLY A 92 1.077 9.437 -3.294 1.00 0.00 C ATOM 1367 O GLY A 92 0.422 9.273 -2.261 1.00 0.00 O ATOM 0 H GLY A 92 2.280 7.030 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.085 9.209 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.925 9.172 -4.338 1.00 0.00 H new ATOM 1371 N LEU A 93 0.627 10.135 -4.337 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.772 10.523 -4.448 1.00 0.00 C ATOM 1373 C LEU A 93 -1.574 9.382 -5.033 1.00 0.00 C ATOM 1374 O LEU A 93 -2.795 9.399 -4.954 1.00 0.00 O ATOM 1375 CB LEU A 93 -1.022 11.718 -5.375 1.00 0.00 C ATOM 1376 CG LEU A 93 -0.047 12.880 -5.253 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.594 14.104 -5.997 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.282 13.275 -3.809 1.00 0.00 C ATOM 0 H LEU A 93 1.213 10.441 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.068 10.790 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.003 11.362 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.028 12.094 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 93 0.884 12.532 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.110 14.931 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.729 13.859 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.552 14.394 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.983 14.110 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.633 13.570 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.730 12.426 -3.293 1.00 0.00 H new ATOM 1390 N SER A 94 -0.926 8.446 -5.707 1.00 0.00 N ATOM 1391 CA SER A 94 -1.555 7.234 -6.189 1.00 0.00 C ATOM 1392 C SER A 94 -1.334 6.143 -5.159 1.00 0.00 C ATOM 1393 O SER A 94 -0.369 6.206 -4.404 1.00 0.00 O ATOM 1394 CB SER A 94 -0.984 6.847 -7.566 1.00 0.00 C ATOM 1395 OG SER A 94 0.396 7.177 -7.693 1.00 0.00 O ATOM 0 H SER A 94 0.066 8.511 -5.936 1.00 0.00 H new ATOM 0 HA SER A 94 -2.626 7.385 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.115 5.776 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.550 7.355 -8.347 1.00 0.00 H new ATOM 0 HG SER A 94 0.866 6.944 -6.865 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.182 5.120 -5.129 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.872 3.859 -4.521 1.00 0.00 C ATOM 1403 C VAL A 95 -2.788 2.821 -5.158 1.00 0.00 C ATOM 1404 O VAL A 95 -4.012 2.974 -5.173 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.941 3.958 -2.988 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.310 4.307 -2.410 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.445 2.657 -2.387 1.00 0.00 C ATOM 0 H VAL A 95 -3.116 5.159 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.844 3.546 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.304 4.800 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.245 4.351 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.631 5.275 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.033 3.544 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.490 2.718 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.073 1.835 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.415 2.482 -2.698 1.00 0.00 H new ATOM 1417 N THR A 96 -2.158 1.784 -5.695 1.00 0.00 N ATOM 1418 CA THR A 96 -2.776 0.738 -6.486 1.00 0.00 C ATOM 1419 C THR A 96 -2.766 -0.534 -5.651 1.00 0.00 C ATOM 1420 O THR A 96 -1.735 -1.186 -5.473 1.00 0.00 O ATOM 1421 CB THR A 96 -2.017 0.623 -7.809 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.039 1.904 -8.384 1.00 0.00 O ATOM 1423 CG2 THR A 96 -2.621 -0.367 -8.808 1.00 0.00 C ATOM 0 H THR A 96 -1.154 1.647 -5.583 1.00 0.00 H new ATOM 0 HA THR A 96 -3.814 0.950 -6.742 1.00 0.00 H new ATOM 0 HB THR A 96 -1.017 0.247 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.561 1.887 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.017 -0.382 -9.715 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.639 -1.364 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.638 -0.061 -9.054 1.00 0.00 H new ATOM 1431 N LEU A 97 -3.906 -0.866 -5.071 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.106 -2.045 -4.221 1.00 0.00 C ATOM 1433 C LEU A 97 -4.562 -3.234 -5.061 1.00 0.00 C ATOM 1434 O LEU A 97 -4.932 -3.059 -6.223 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.094 -1.728 -3.081 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.506 -0.733 -2.060 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.597 -0.200 -1.128 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.414 -1.401 -1.215 1.00 0.00 C ATOM 0 H LEU A 97 -4.753 -0.308 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.157 -2.317 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.011 -1.315 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.365 -2.652 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.074 0.095 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.158 0.500 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.360 0.311 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.051 -1.030 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.014 -0.680 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.838 -2.248 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.613 -1.750 -1.866 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.495 -4.445 -4.498 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.214 -5.605 -5.019 1.00 0.00 C ATOM 1452 C ARG A 98 -6.139 -6.108 -3.926 1.00 0.00 C ATOM 1453 O ARG A 98 -5.663 -6.397 -2.827 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.253 -6.712 -5.475 1.00 0.00 C ATOM 1455 CG ARG A 98 -5.006 -8.028 -5.751 1.00 0.00 C ATOM 1456 CD ARG A 98 -4.101 -9.119 -6.318 1.00 0.00 C ATOM 1457 NE ARG A 98 -4.064 -9.050 -7.784 1.00 0.00 N ATOM 1458 CZ ARG A 98 -3.401 -9.856 -8.615 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.457 -10.685 -8.176 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -3.711 -9.821 -9.901 1.00 0.00 N ATOM 0 H ARG A 98 -3.939 -4.645 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.788 -5.313 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.730 -6.394 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.496 -6.878 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.459 -8.383 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.819 -7.836 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.093 -9.007 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.462 -10.098 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.606 -8.302 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.226 -10.714 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.965 -11.291 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.440 -9.189 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.221 -10.426 -10.560 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.419 -6.280 -4.241 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.430 -6.869 -3.370 1.00 0.00 C ATOM 1476 C ILE A 99 -9.170 -7.983 -4.131 1.00 0.00 C ATOM 1477 O ILE A 99 -8.874 -8.200 -5.308 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.355 -5.761 -2.819 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.289 -5.181 -3.907 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.550 -4.631 -2.151 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.731 -5.704 -3.839 1.00 0.00 C ATOM 0 H ILE A 99 -7.795 -6.001 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.972 -7.339 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.981 -6.234 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.303 -4.095 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.875 -5.414 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.234 -3.870 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.970 -5.038 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.875 -4.184 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.321 -5.249 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.731 -6.787 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.166 -5.447 -2.873 1.00 0.00 H new ATOM 1493 N ILE A 100 -10.126 -8.679 -3.507 1.00 0.00 N ATOM 1494 CA ILE A 100 -11.069 -9.572 -4.194 1.00 0.00 C ATOM 1495 C ILE A 100 -12.495 -9.022 -4.040 1.00 0.00 C ATOM 1496 O ILE A 100 -12.925 -8.771 -2.911 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.921 -11.022 -3.686 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -9.590 -11.590 -4.207 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -12.069 -11.906 -4.191 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -9.173 -12.915 -3.552 1.00 0.00 C ATOM 0 H ILE A 100 -10.270 -8.638 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.843 -9.603 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.944 -11.015 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.668 -11.738 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.804 -10.853 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.938 -12.921 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.019 -11.508 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.067 -11.918 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.225 -13.247 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.060 -12.770 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.937 -13.669 -3.738 1.00 0.00 H new ATOM 1512 N PRO A 101 -13.240 -8.802 -5.135 1.00 0.00 N ATOM 1513 CA PRO A 101 -14.620 -8.354 -5.058 1.00 0.00 C ATOM 1514 C PRO A 101 -15.560 -9.511 -4.723 1.00 0.00 C ATOM 1515 O PRO A 101 -15.181 -10.685 -4.750 1.00 0.00 O ATOM 1516 CB PRO A 101 -14.892 -7.728 -6.423 1.00 0.00 C ATOM 1517 CG PRO A 101 -14.034 -8.558 -7.375 1.00 0.00 C ATOM 1518 CD PRO A 101 -12.862 -9.038 -6.520 1.00 0.00 C ATOM 0 HA PRO A 101 -14.792 -7.634 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.949 -7.781 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.611 -6.675 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.596 -9.398 -7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.690 -7.962 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.662 -10.095 -6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.950 -8.496 -6.771 1.00 0.00 H new ATOM 1526 N GLN A 102 -16.797 -9.172 -4.374 1.00 0.00 N ATOM 1527 CA GLN A 102 -17.807 -10.132 -3.984 1.00 0.00 C ATOM 1528 C GLN A 102 -19.170 -9.586 -4.382 1.00 0.00 C ATOM 1529 O GLN A 102 -19.364 -8.363 -4.394 1.00 0.00 O ATOM 1530 CB GLN A 102 -17.682 -10.408 -2.482 1.00 0.00 C ATOM 1531 CG GLN A 102 -18.128 -9.281 -1.538 1.00 0.00 C ATOM 1532 CD GLN A 102 -17.333 -9.308 -0.233 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -17.583 -10.071 0.694 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -16.320 -8.475 -0.137 1.00 0.00 N ATOM 0 H GLN A 102 -17.124 -8.206 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.675 -11.087 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.265 -11.299 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.640 -10.643 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.994 -8.317 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -19.191 -9.383 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.108 -7.839 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.746 -8.465 0.706 1.00 0.00 H new ATOM 1543 N GLU A 103 -20.121 -10.472 -4.660 1.00 0.00 N ATOM 1544 CA GLU A 103 -21.489 -10.110 -5.003 1.00 0.00 C ATOM 1545 C GLU A 103 -22.506 -11.139 -4.496 1.00 0.00 C ATOM 1546 O GLU A 103 -23.709 -10.981 -4.712 1.00 0.00 O ATOM 1547 CB GLU A 103 -21.584 -9.874 -6.515 1.00 0.00 C ATOM 1548 CG GLU A 103 -21.379 -11.125 -7.377 1.00 0.00 C ATOM 1549 CD GLU A 103 -21.551 -10.776 -8.852 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -22.648 -10.285 -9.212 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -20.593 -10.992 -9.630 1.00 0.00 O ATOM 0 H GLU A 103 -19.958 -11.479 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.749 -9.182 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -22.563 -9.451 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.841 -9.129 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.384 -11.536 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -22.095 -11.895 -7.091 1.00 0.00 H new ATOM 1558 N GLU A 104 -22.029 -12.173 -3.805 1.00 0.00 N ATOM 1559 CA GLU A 104 -22.807 -13.281 -3.254 1.00 0.00 C ATOM 1560 C GLU A 104 -22.531 -13.442 -1.746 1.00 0.00 C ATOM 1561 O GLU A 104 -23.047 -14.354 -1.094 1.00 0.00 O ATOM 1562 CB GLU A 104 -22.425 -14.537 -4.051 1.00 0.00 C ATOM 1563 CG GLU A 104 -23.521 -15.610 -4.053 1.00 0.00 C ATOM 1564 CD GLU A 104 -23.032 -16.906 -4.701 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -22.675 -16.885 -5.900 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -22.999 -17.950 -4.010 1.00 0.00 O ATOM 0 H GLU A 104 -21.033 -12.265 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 104 -23.878 -13.098 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -22.203 -14.253 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -21.512 -14.961 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -23.838 -15.810 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -24.394 -15.240 -4.590 1.00 0.00 H new ATOM 1573 N LEU A 105 -21.685 -12.572 -1.185 1.00 0.00 N ATOM 1574 CA LEU A 105 -21.273 -12.565 0.211 1.00 0.00 C ATOM 1575 C LEU A 105 -22.012 -11.427 0.885 1.00 0.00 C ATOM 1576 O LEU A 105 -21.655 -10.263 0.707 1.00 0.00 O ATOM 1577 CB LEU A 105 -19.749 -12.398 0.339 1.00 0.00 C ATOM 1578 CG LEU A 105 -19.025 -13.735 0.111 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -17.594 -13.500 -0.365 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -18.993 -14.567 1.401 1.00 0.00 C ATOM 0 H LEU A 105 -21.252 -11.821 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.517 -13.514 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.398 -11.663 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -19.504 -12.012 1.329 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.577 -14.280 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.100 -14.459 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -17.609 -12.944 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -17.050 -12.929 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.476 -15.508 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.468 -14.012 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -20.013 -14.772 1.727 1.00 0.00 H new ATOM 1592 N ASN A 106 -23.061 -11.769 1.622 1.00 0.00 N ATOM 1593 CA ASN A 106 -23.859 -10.883 2.457 1.00 0.00 C ATOM 1594 C ASN A 106 -24.170 -11.632 3.752 1.00 0.00 C ATOM 1595 O ASN A 106 -23.902 -12.832 3.854 1.00 0.00 O ATOM 1596 CB ASN A 106 -25.129 -10.432 1.725 1.00 0.00 C ATOM 1597 CG ASN A 106 -26.032 -11.594 1.331 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -25.780 -12.238 0.319 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -27.098 -11.857 2.069 1.00 0.00 N ATOM 0 H ASN A 106 -23.397 -12.731 1.654 1.00 0.00 H new ATOM 0 HA ASN A 106 -23.310 -9.970 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -25.686 -9.746 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -24.848 -9.877 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.731 -12.610 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.286 -11.307 2.907 1.00 0.00 H new ATOM 1606 N SER A 107 -24.671 -10.926 4.761 1.00 0.00 N ATOM 1607 CA SER A 107 -24.682 -11.401 6.136 1.00 0.00 C ATOM 1608 C SER A 107 -25.931 -10.857 6.845 1.00 0.00 C ATOM 1609 O SER A 107 -25.834 -9.867 7.572 1.00 0.00 O ATOM 1610 CB SER A 107 -23.347 -11.016 6.803 1.00 0.00 C ATOM 1611 OG SER A 107 -22.898 -9.713 6.446 1.00 0.00 O ATOM 0 H SER A 107 -25.084 -10.001 4.644 1.00 0.00 H new ATOM 0 HA SER A 107 -24.753 -12.487 6.195 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.460 -11.071 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.586 -11.745 6.525 1.00 0.00 H new ATOM 0 HG SER A 107 -22.050 -9.524 6.899 1.00 0.00 H new ATOM 1617 N PRO A 108 -27.117 -11.454 6.619 1.00 0.00 N ATOM 1618 CA PRO A 108 -28.371 -10.986 7.185 1.00 0.00 C ATOM 1619 C PRO A 108 -28.357 -11.174 8.703 1.00 0.00 C ATOM 1620 O PRO A 108 -28.465 -10.173 9.413 1.00 0.00 O ATOM 1621 CB PRO A 108 -29.491 -11.741 6.464 1.00 0.00 C ATOM 1622 CG PRO A 108 -28.811 -12.982 5.900 1.00 0.00 C ATOM 1623 CD PRO A 108 -27.341 -12.607 5.769 1.00 0.00 C ATOM 0 HA PRO A 108 -28.531 -9.918 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -30.296 -12.006 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -29.932 -11.136 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -28.942 -13.838 6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -29.234 -13.259 4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -26.703 -13.438 6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -27.094 -12.376 4.733 1.00 0.00 H new ATOM 1631 N SER A 109 -28.165 -12.404 9.192 1.00 0.00 N ATOM 1632 CA SER A 109 -27.873 -12.724 10.587 1.00 0.00 C ATOM 1633 C SER A 109 -26.976 -13.971 10.617 1.00 0.00 C ATOM 1634 O SER A 109 -25.774 -13.854 10.361 1.00 0.00 O ATOM 1635 CB SER A 109 -29.174 -12.883 11.395 1.00 0.00 C ATOM 1636 OG SER A 109 -29.752 -11.631 11.722 1.00 0.00 O ATOM 0 H SER A 109 -28.211 -13.234 8.601 1.00 0.00 H new ATOM 0 HA SER A 109 -27.333 -11.909 11.068 1.00 0.00 H new ATOM 0 HB2 SER A 109 -29.888 -13.473 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 109 -28.967 -13.437 12.311 1.00 0.00 H new ATOM 0 HG SER A 109 -29.460 -10.957 11.074 1.00 0.00 H new ATOM 1642 N GLY A 110 -27.511 -15.164 10.888 1.00 0.00 N ATOM 1643 CA GLY A 110 -26.721 -16.374 11.046 1.00 0.00 C ATOM 1644 C GLY A 110 -27.514 -17.459 11.775 1.00 0.00 C ATOM 1645 O GLY A 110 -28.701 -17.277 12.060 1.00 0.00 O ATOM 0 H GLY A 110 -28.514 -15.312 11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -26.412 -16.741 10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.812 -16.148 11.603 1.00 0.00 H new ATOM 1649 N PRO A 111 -26.907 -18.626 12.026 1.00 0.00 N ATOM 1650 CA PRO A 111 -27.488 -19.704 12.816 1.00 0.00 C ATOM 1651 C PRO A 111 -27.488 -19.319 14.301 1.00 0.00 C ATOM 1652 O PRO A 111 -26.445 -19.341 14.963 1.00 0.00 O ATOM 1653 CB PRO A 111 -26.625 -20.929 12.519 1.00 0.00 C ATOM 1654 CG PRO A 111 -25.264 -20.336 12.175 1.00 0.00 C ATOM 1655 CD PRO A 111 -25.598 -19.002 11.523 1.00 0.00 C ATOM 0 HA PRO A 111 -28.529 -19.908 12.566 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.566 -21.595 13.380 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -27.029 -21.512 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.650 -20.202 13.066 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.706 -20.983 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.852 -18.248 11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -25.608 -19.091 10.437 1.00 0.00 H new ATOM 1663 N SER A 112 -28.651 -18.910 14.804 1.00 0.00 N ATOM 1664 CA SER A 112 -28.863 -18.466 16.171 1.00 0.00 C ATOM 1665 C SER A 112 -28.714 -19.627 17.163 1.00 0.00 C ATOM 1666 O SER A 112 -29.684 -20.333 17.445 1.00 0.00 O ATOM 1667 CB SER A 112 -30.221 -17.749 16.287 1.00 0.00 C ATOM 1668 OG SER A 112 -31.098 -17.979 15.183 1.00 0.00 O ATOM 0 H SER A 112 -29.503 -18.879 14.244 1.00 0.00 H new ATOM 0 HA SER A 112 -28.090 -17.744 16.436 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.714 -18.074 17.203 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.047 -16.677 16.382 1.00 0.00 H new ATOM 0 HG SER A 112 -31.938 -17.495 15.326 1.00 0.00 H new ATOM 1674 N SER A 113 -27.503 -19.825 17.684 1.00 0.00 N ATOM 1675 CA SER A 113 -27.225 -20.640 18.858 1.00 0.00 C ATOM 1676 C SER A 113 -27.729 -19.868 20.083 1.00 0.00 C ATOM 1677 O SER A 113 -27.521 -18.653 20.175 1.00 0.00 O ATOM 1678 CB SER A 113 -25.708 -20.889 18.904 1.00 0.00 C ATOM 1679 OG SER A 113 -25.320 -21.818 19.901 1.00 0.00 O ATOM 0 H SER A 113 -26.663 -19.407 17.284 1.00 0.00 H new ATOM 0 HA SER A 113 -27.726 -21.608 18.834 1.00 0.00 H new ATOM 0 HB2 SER A 113 -25.377 -21.252 17.931 1.00 0.00 H new ATOM 0 HB3 SER A 113 -25.197 -19.943 19.081 1.00 0.00 H new ATOM 0 HG SER A 113 -24.347 -21.935 19.879 1.00 0.00 H new ATOM 1685 N GLY A 114 -28.395 -20.524 21.028 1.00 0.00 N ATOM 1686 CA GLY A 114 -28.936 -19.882 22.217 1.00 0.00 C ATOM 1687 C GLY A 114 -29.829 -20.849 22.960 1.00 0.00 C ATOM 1688 O GLY A 114 -30.421 -21.721 22.292 1.00 0.00 O ATOM 0 H GLY A 114 -28.575 -21.527 20.988 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -28.124 -19.552 22.865 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -29.501 -18.993 21.936 1.00 0.00 H new TER 1692 GLY A 114