USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 16 SER OG : rot 62:sc= 0.0758 USER MOD Set 1.2: A 109 THR OG1 : rot 67:sc= 1.23 USER MOD Set 2.1: A 85 MET CE :methyl -159:sc= -0.385 (180deg=-1.01) USER MOD Set 2.2: A 103 THR OG1 : rot 175:sc= -0.439 USER MOD Set 3.1: A 65 MET CE :methyl -137:sc= -0.312 (180deg=-1.36) USER MOD Set 3.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 106 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.1) USER MOD Set 5.1: A 45 ASN : amide:sc= 2.05 K(o=3.3,f=-4.3!) USER MOD Set 5.2: A 66 THR OG1 : rot -41:sc= 1.22 USER MOD Set 6.1: A 43 MET CE :methyl 179:sc= -0.069 (180deg=-0.0658) USER MOD Set 6.2: A 110 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0019 USER MOD Single : A 6 GLN : amide:sc= -1.02 K(o=-1,f=0.052) USER MOD Single : A 8 GLN : amide:sc= -0.722 K(o=-0.72,f=-2.2!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 10 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 88:sc= 0.161 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= 0.168 (180deg=-0.973) USER MOD Single : A 37 MET CE :methyl 170:sc= -0.0256 (180deg=-0.25) USER MOD Single : A 38 MET CE :methyl 160:sc= -0.165 (180deg=-0.412) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.31 USER MOD Single : A 48 SER OG : rot 18:sc= 0.369 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.41) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -173:sc=-0.00378 (180deg=-0.103) USER MOD Single : A 69 MET CE :methyl -164:sc= 0 (180deg=-0.165) USER MOD Single : A 72 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 74 GLN : amide:sc= 0.129 K(o=0.13,f=-0.63) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= 1.17 (180deg=1.04) USER MOD Single : A 91 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.06) USER MOD Single : A 95 THR OG1 : rot 80:sc= 0.83 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.547 USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.07) USER MOD Single : A 107 THR OG1 : rot 55:sc= 0.551 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl 177:sc= 0 (180deg=-0.0139) USER MOD Single : A 117 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.722 1.213 -8.764 1.00 0.00 N ATOM 2 CA MET A 1 15.670 0.164 -7.762 1.00 0.00 C ATOM 3 C MET A 1 15.490 0.803 -6.388 1.00 0.00 C ATOM 4 O MET A 1 16.390 1.496 -5.908 1.00 0.00 O ATOM 5 CB MET A 1 16.940 -0.695 -7.806 1.00 0.00 C ATOM 6 CG MET A 1 16.865 -1.860 -6.812 1.00 0.00 C ATOM 7 SD MET A 1 18.331 -2.914 -6.804 1.00 0.00 S ATOM 8 CE MET A 1 19.325 -1.961 -5.632 1.00 0.00 C ATOM 0 H1 MET A 1 15.845 0.788 -9.705 1.00 0.00 H new ATOM 0 H2 MET A 1 14.836 1.758 -8.743 1.00 0.00 H new ATOM 0 H3 MET A 1 16.522 1.846 -8.563 1.00 0.00 H new ATOM 0 HA MET A 1 14.826 -0.494 -7.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.083 -1.084 -8.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.807 -0.076 -7.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.712 -1.460 -5.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.993 -2.470 -7.048 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.287 -2.453 -5.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.486 -0.957 -6.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.802 -1.898 -4.678 1.00 0.00 H new ATOM 18 N VAL A 2 14.332 0.569 -5.776 1.00 0.00 N ATOM 19 CA VAL A 2 14.023 1.009 -4.422 1.00 0.00 C ATOM 20 C VAL A 2 14.885 0.271 -3.389 1.00 0.00 C ATOM 21 O VAL A 2 15.320 -0.861 -3.625 1.00 0.00 O ATOM 22 CB VAL A 2 12.513 0.788 -4.188 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.100 -0.688 -4.265 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.006 1.331 -2.847 1.00 0.00 C ATOM 0 H VAL A 2 13.568 0.058 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 2 14.256 2.067 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 2 12.055 1.350 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.027 -0.775 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.341 -1.082 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.637 -1.256 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.937 1.138 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.534 0.837 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.186 2.405 -2.798 1.00 0.00 H new ATOM 34 N THR A 3 14.999 0.840 -2.190 1.00 0.00 N ATOM 35 CA THR A 3 15.473 0.181 -0.980 1.00 0.00 C ATOM 36 C THR A 3 14.441 0.302 0.158 1.00 0.00 C ATOM 37 O THR A 3 13.607 1.209 0.134 1.00 0.00 O ATOM 38 CB THR A 3 16.865 0.728 -0.611 1.00 0.00 C ATOM 39 OG1 THR A 3 17.123 2.002 -1.164 1.00 0.00 O ATOM 40 CG2 THR A 3 17.924 -0.227 -1.143 1.00 0.00 C ATOM 0 H THR A 3 14.752 1.817 -2.031 1.00 0.00 H new ATOM 0 HA THR A 3 15.583 -0.889 -1.158 1.00 0.00 H new ATOM 0 HB THR A 3 16.893 0.817 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 3 18.017 2.300 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.915 0.150 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.784 -1.211 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.833 -0.304 -2.226 1.00 0.00 H new ATOM 48 N PRO A 4 14.455 -0.602 1.157 1.00 0.00 N ATOM 49 CA PRO A 4 13.460 -0.651 2.232 1.00 0.00 C ATOM 50 C PRO A 4 13.641 0.490 3.217 1.00 0.00 C ATOM 51 O PRO A 4 12.684 0.972 3.819 1.00 0.00 O ATOM 52 CB PRO A 4 13.648 -2.001 2.896 1.00 0.00 C ATOM 53 CG PRO A 4 15.128 -2.286 2.721 1.00 0.00 C ATOM 54 CD PRO A 4 15.415 -1.686 1.340 1.00 0.00 C ATOM 0 HA PRO A 4 12.448 -0.535 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.368 -1.972 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.034 -2.768 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.728 -1.817 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.343 -3.354 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.438 -1.313 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.306 -2.438 0.559 1.00 0.00 H new ATOM 62 N GLU A 5 14.890 0.891 3.419 1.00 0.00 N ATOM 63 CA GLU A 5 15.258 2.097 4.154 1.00 0.00 C ATOM 64 C GLU A 5 14.353 3.257 3.711 1.00 0.00 C ATOM 65 O GLU A 5 13.765 3.945 4.542 1.00 0.00 O ATOM 66 CB GLU A 5 16.732 2.407 3.869 1.00 0.00 C ATOM 67 CG GLU A 5 17.218 3.583 4.726 1.00 0.00 C ATOM 68 CD GLU A 5 18.605 4.071 4.328 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.473 3.259 3.938 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.820 5.301 4.377 1.00 0.00 O ATOM 0 H GLU A 5 15.696 0.374 3.068 1.00 0.00 H new ATOM 0 HA GLU A 5 15.126 1.953 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.340 1.526 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.861 2.643 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.509 4.407 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.231 3.282 5.774 1.00 0.00 H new ATOM 77 N GLN A 6 14.151 3.394 2.395 1.00 0.00 N ATOM 78 CA GLN A 6 13.334 4.443 1.786 1.00 0.00 C ATOM 79 C GLN A 6 11.823 4.293 2.031 1.00 0.00 C ATOM 80 O GLN A 6 11.039 5.056 1.467 1.00 0.00 O ATOM 81 CB GLN A 6 13.600 4.494 0.277 1.00 0.00 C ATOM 82 CG GLN A 6 15.088 4.397 -0.098 1.00 0.00 C ATOM 83 CD GLN A 6 15.325 4.628 -1.584 1.00 0.00 C ATOM 84 OE1 GLN A 6 16.236 5.342 -1.984 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.496 4.041 -2.431 1.00 0.00 N ATOM 0 H GLN A 6 14.563 2.761 1.709 1.00 0.00 H new ATOM 0 HA GLN A 6 13.632 5.372 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.060 3.679 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.195 5.424 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.654 5.131 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.467 3.414 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.743 3.450 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.610 4.180 -3.435 1.00 0.00 H new ATOM 94 N LEU A 7 11.395 3.317 2.832 1.00 0.00 N ATOM 95 CA LEU A 7 10.002 2.974 3.085 1.00 0.00 C ATOM 96 C LEU A 7 9.720 2.979 4.582 1.00 0.00 C ATOM 97 O LEU A 7 8.734 3.568 5.015 1.00 0.00 O ATOM 98 CB LEU A 7 9.706 1.569 2.543 1.00 0.00 C ATOM 99 CG LEU A 7 9.707 1.419 1.009 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.103 0.052 0.664 1.00 0.00 C ATOM 101 CD2 LEU A 7 8.893 2.484 0.258 1.00 0.00 C ATOM 0 H LEU A 7 12.043 2.718 3.344 1.00 0.00 H new ATOM 0 HA LEU A 7 9.372 3.712 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.443 0.880 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.732 1.255 2.918 1.00 0.00 H new ATOM 0 HG LEU A 7 10.744 1.532 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.092 -0.078 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.703 -0.736 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.084 -0.002 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.952 2.298 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.852 2.438 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.297 3.472 0.477 1.00 0.00 H new ATOM 113 N GLN A 8 10.565 2.313 5.373 1.00 0.00 N ATOM 114 CA GLN A 8 10.413 2.035 6.805 1.00 0.00 C ATOM 115 C GLN A 8 10.260 3.270 7.712 1.00 0.00 C ATOM 116 O GLN A 8 10.057 3.119 8.913 1.00 0.00 O ATOM 117 CB GLN A 8 11.603 1.158 7.231 1.00 0.00 C ATOM 118 CG GLN A 8 11.425 -0.253 6.638 1.00 0.00 C ATOM 119 CD GLN A 8 12.681 -1.109 6.621 1.00 0.00 C ATOM 120 OE1 GLN A 8 12.660 -2.300 6.929 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.764 -0.558 6.113 1.00 0.00 N ATOM 0 H GLN A 8 11.434 1.927 5.005 1.00 0.00 H new ATOM 0 HA GLN A 8 9.462 1.520 6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.538 1.597 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.661 1.105 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.656 -0.775 7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.056 -0.157 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.764 0.431 5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.603 -1.120 5.969 1.00 0.00 H new ATOM 130 N HIS A 9 10.331 4.476 7.156 1.00 0.00 N ATOM 131 CA HIS A 9 10.070 5.738 7.845 1.00 0.00 C ATOM 132 C HIS A 9 9.317 6.751 6.968 1.00 0.00 C ATOM 133 O HIS A 9 9.134 7.897 7.388 1.00 0.00 O ATOM 134 CB HIS A 9 11.398 6.296 8.387 1.00 0.00 C ATOM 135 CG HIS A 9 11.790 5.632 9.682 1.00 0.00 C ATOM 136 ND1 HIS A 9 11.181 5.857 10.898 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.720 4.640 9.853 1.00 0.00 C ATOM 138 CE1 HIS A 9 11.734 5.018 11.785 1.00 0.00 C ATOM 139 NE2 HIS A 9 12.690 4.272 11.206 1.00 0.00 N ATOM 0 H HIS A 9 10.581 4.607 6.176 1.00 0.00 H new ATOM 0 HA HIS A 9 9.400 5.546 8.683 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.185 6.147 7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.306 7.371 8.542 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.357 4.220 9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.450 4.951 12.825 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.279 3.575 11.661 1.00 0.00 H new ATOM 147 N HIS A 10 8.840 6.363 5.783 1.00 0.00 N ATOM 148 CA HIS A 10 8.303 7.275 4.780 1.00 0.00 C ATOM 149 C HIS A 10 6.866 6.883 4.435 1.00 0.00 C ATOM 150 O HIS A 10 6.596 5.757 4.017 1.00 0.00 O ATOM 151 CB HIS A 10 9.234 7.291 3.563 1.00 0.00 C ATOM 152 CG HIS A 10 10.587 7.886 3.886 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.830 9.199 4.224 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.777 7.213 3.980 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.135 9.313 4.518 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.762 8.139 4.339 1.00 0.00 N ATOM 0 H HIS A 10 8.817 5.386 5.492 1.00 0.00 H new ATOM 0 HA HIS A 10 8.261 8.293 5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.365 6.274 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.770 7.863 2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.927 6.157 3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.614 10.222 4.852 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.760 7.958 4.444 1.00 0.00 H new ATOM 164 N ARG A 11 5.932 7.808 4.662 1.00 0.00 N ATOM 165 CA ARG A 11 4.510 7.613 4.404 1.00 0.00 C ATOM 166 C ARG A 11 4.181 7.841 2.941 1.00 0.00 C ATOM 167 O ARG A 11 4.756 8.700 2.269 1.00 0.00 O ATOM 168 CB ARG A 11 3.733 8.613 5.257 1.00 0.00 C ATOM 169 CG ARG A 11 2.209 8.661 5.042 1.00 0.00 C ATOM 170 CD ARG A 11 1.650 9.765 5.955 1.00 0.00 C ATOM 171 NE ARG A 11 0.428 9.348 6.644 1.00 0.00 N ATOM 172 CZ ARG A 11 0.319 8.413 7.594 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.380 7.848 8.165 1.00 0.00 N ATOM 174 NH2 ARG A 11 -0.889 8.045 7.982 1.00 0.00 N ATOM 0 H ARG A 11 6.150 8.731 5.038 1.00 0.00 H new ATOM 0 HA ARG A 11 4.238 6.588 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.923 8.386 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.136 9.608 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.975 8.871 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.757 7.699 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.404 10.041 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.444 10.655 5.361 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.433 9.821 6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.320 8.125 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.253 7.138 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.713 8.472 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.998 7.334 8.705 1.00 0.00 H new ATOM 188 N PHE A 12 3.147 7.137 2.507 1.00 0.00 N ATOM 189 CA PHE A 12 2.548 7.237 1.203 1.00 0.00 C ATOM 190 C PHE A 12 1.045 7.167 1.355 1.00 0.00 C ATOM 191 O PHE A 12 0.494 6.698 2.342 1.00 0.00 O ATOM 192 CB PHE A 12 3.103 6.072 0.370 1.00 0.00 C ATOM 193 CG PHE A 12 4.584 6.137 0.061 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.531 5.594 0.950 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.015 6.752 -1.126 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.904 5.720 0.679 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.384 6.887 -1.393 1.00 0.00 C ATOM 198 CZ PHE A 12 7.331 6.380 -0.486 1.00 0.00 C ATOM 0 H PHE A 12 2.684 6.444 3.095 1.00 0.00 H new ATOM 0 HA PHE A 12 2.780 8.177 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.901 5.141 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.555 6.028 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.202 5.080 1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.289 7.122 -1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.630 5.310 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.712 7.381 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.386 6.498 -0.684 1.00 0.00 H new ATOM 208 N VAL A 13 0.390 7.670 0.335 1.00 0.00 N ATOM 209 CA VAL A 13 -1.031 7.944 0.224 1.00 0.00 C ATOM 210 C VAL A 13 -1.461 7.444 -1.159 1.00 0.00 C ATOM 211 O VAL A 13 -0.681 7.588 -2.107 1.00 0.00 O ATOM 212 CB VAL A 13 -1.244 9.462 0.345 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.518 9.884 1.792 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.106 10.292 -0.251 1.00 0.00 C ATOM 0 H VAL A 13 0.882 7.923 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.614 7.452 1.003 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.129 9.675 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.663 10.963 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.416 9.383 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.670 9.606 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.326 11.352 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.826 10.053 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.005 10.062 -1.312 1.00 0.00 H new ATOM 224 N LEU A 14 -2.638 6.819 -1.289 1.00 0.00 N ATOM 225 CA LEU A 14 -3.118 6.267 -2.558 1.00 0.00 C ATOM 226 C LEU A 14 -3.648 7.384 -3.458 1.00 0.00 C ATOM 227 O LEU A 14 -4.849 7.613 -3.586 1.00 0.00 O ATOM 228 CB LEU A 14 -4.156 5.167 -2.312 1.00 0.00 C ATOM 229 CG LEU A 14 -4.635 4.449 -3.589 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.511 4.013 -4.540 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.400 3.203 -3.143 1.00 0.00 C ATOM 0 H LEU A 14 -3.285 6.682 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.284 5.801 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.731 4.429 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.019 5.604 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.243 5.159 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.942 3.517 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.948 4.889 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.844 3.323 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.758 2.663 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.739 2.558 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.249 3.499 -2.527 1.00 0.00 H new ATOM 243 N GLU A 15 -2.705 8.088 -4.064 1.00 0.00 N ATOM 244 CA GLU A 15 -2.888 9.273 -4.880 1.00 0.00 C ATOM 245 C GLU A 15 -3.705 8.943 -6.140 1.00 0.00 C ATOM 246 O GLU A 15 -4.616 9.701 -6.501 1.00 0.00 O ATOM 247 CB GLU A 15 -1.469 9.771 -5.180 1.00 0.00 C ATOM 248 CG GLU A 15 -1.358 11.179 -5.769 1.00 0.00 C ATOM 249 CD GLU A 15 -1.700 12.295 -4.780 1.00 0.00 C ATOM 250 OE1 GLU A 15 -0.808 12.773 -4.036 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.865 12.745 -4.830 1.00 0.00 O ATOM 0 H GLU A 15 -1.722 7.825 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.462 10.053 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.892 9.740 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.000 9.072 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.342 11.330 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.021 11.255 -6.631 1.00 0.00 H new ATOM 258 N SER A 16 -3.439 7.790 -6.777 1.00 0.00 N ATOM 259 CA SER A 16 -4.317 7.258 -7.815 1.00 0.00 C ATOM 260 C SER A 16 -4.226 5.736 -7.988 1.00 0.00 C ATOM 261 O SER A 16 -3.169 5.125 -7.819 1.00 0.00 O ATOM 262 CB SER A 16 -4.125 8.016 -9.141 1.00 0.00 C ATOM 263 OG SER A 16 -2.792 8.383 -9.434 1.00 0.00 O ATOM 0 H SER A 16 -2.620 7.213 -6.586 1.00 0.00 H new ATOM 0 HA SER A 16 -5.337 7.433 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.502 7.396 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.737 8.918 -9.118 1.00 0.00 H new ATOM 0 HG SER A 16 -2.242 7.577 -9.518 1.00 0.00 H new ATOM 269 N VAL A 17 -5.350 5.112 -8.356 1.00 0.00 N ATOM 270 CA VAL A 17 -5.473 3.683 -8.640 1.00 0.00 C ATOM 271 C VAL A 17 -5.342 3.484 -10.149 1.00 0.00 C ATOM 272 O VAL A 17 -5.515 4.423 -10.927 1.00 0.00 O ATOM 273 CB VAL A 17 -6.849 3.155 -8.147 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.994 1.623 -8.147 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.165 3.645 -6.730 1.00 0.00 C ATOM 0 H VAL A 17 -6.233 5.611 -8.468 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.692 3.129 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.551 3.558 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.987 1.351 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.859 1.245 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.239 1.186 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.134 3.256 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.395 3.293 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.190 4.735 -6.719 1.00 0.00 H new ATOM 285 N ASN A 18 -5.161 2.227 -10.551 1.00 0.00 N ATOM 286 CA ASN A 18 -5.223 1.689 -11.907 1.00 0.00 C ATOM 287 C ASN A 18 -6.415 2.179 -12.742 1.00 0.00 C ATOM 288 O ASN A 18 -6.347 2.143 -13.968 1.00 0.00 O ATOM 289 CB ASN A 18 -5.292 0.162 -11.758 1.00 0.00 C ATOM 290 CG ASN A 18 -5.469 -0.548 -13.081 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.508 -0.704 -13.827 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.664 -1.022 -13.365 1.00 0.00 N ATOM 0 H ASN A 18 -4.948 1.494 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.344 2.035 -12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.380 -0.193 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.120 -0.097 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.815 -1.539 -14.231 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.439 -0.872 -12.719 1.00 0.00 H new ATOM 299 N GLY A 19 -7.501 2.617 -12.101 1.00 0.00 N ATOM 300 CA GLY A 19 -8.697 3.113 -12.762 1.00 0.00 C ATOM 301 C GLY A 19 -8.912 4.603 -12.550 1.00 0.00 C ATOM 302 O GLY A 19 -9.119 5.332 -13.517 1.00 0.00 O ATOM 0 H GLY A 19 -7.569 2.635 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.627 2.909 -13.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.565 2.569 -12.390 1.00 0.00 H new ATOM 306 N LYS A 20 -8.950 5.048 -11.295 1.00 0.00 N ATOM 307 CA LYS A 20 -9.413 6.375 -10.897 1.00 0.00 C ATOM 308 C LYS A 20 -8.737 6.759 -9.576 1.00 0.00 C ATOM 309 O LYS A 20 -8.227 5.870 -8.890 1.00 0.00 O ATOM 310 CB LYS A 20 -10.956 6.367 -10.793 1.00 0.00 C ATOM 311 CG LYS A 20 -11.546 5.260 -9.905 1.00 0.00 C ATOM 312 CD LYS A 20 -12.119 4.073 -10.696 1.00 0.00 C ATOM 313 CE LYS A 20 -12.477 2.922 -9.745 1.00 0.00 C ATOM 314 NZ LYS A 20 -12.861 1.691 -10.469 1.00 0.00 N ATOM 0 H LYS A 20 -8.650 4.478 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.142 7.125 -11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.283 7.333 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.371 6.266 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.771 4.896 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.334 5.686 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.005 4.388 -11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.391 3.732 -11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.625 2.710 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.298 3.231 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.093 0.944 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.691 1.884 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.069 1.379 -11.067 1.00 0.00 H new ATOM 328 N PRO A 21 -8.699 8.038 -9.178 1.00 0.00 N ATOM 329 CA PRO A 21 -8.157 8.422 -7.882 1.00 0.00 C ATOM 330 C PRO A 21 -9.097 8.006 -6.750 1.00 0.00 C ATOM 331 O PRO A 21 -10.201 7.519 -7.007 1.00 0.00 O ATOM 332 CB PRO A 21 -7.929 9.927 -7.971 1.00 0.00 C ATOM 333 CG PRO A 21 -8.947 10.397 -9.003 1.00 0.00 C ATOM 334 CD PRO A 21 -9.166 9.197 -9.918 1.00 0.00 C ATOM 0 HA PRO A 21 -7.220 7.917 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.086 10.412 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.910 10.158 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.878 10.705 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.575 11.256 -9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.219 9.094 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.615 9.312 -10.851 1.00 0.00 H new ATOM 342 N VAL A 22 -8.660 8.179 -5.503 1.00 0.00 N ATOM 343 CA VAL A 22 -9.460 7.926 -4.311 1.00 0.00 C ATOM 344 C VAL A 22 -9.554 9.241 -3.554 1.00 0.00 C ATOM 345 O VAL A 22 -8.586 10.004 -3.513 1.00 0.00 O ATOM 346 CB VAL A 22 -8.822 6.844 -3.409 1.00 0.00 C ATOM 347 CG1 VAL A 22 -9.853 6.323 -2.398 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.286 5.637 -4.180 1.00 0.00 C ATOM 0 H VAL A 22 -7.718 8.507 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.444 7.555 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.982 7.335 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.393 5.562 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.201 7.147 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.699 5.890 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.854 4.921 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.101 5.163 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.520 5.965 -4.883 1.00 0.00 H new ATOM 358 N THR A 23 -10.688 9.480 -2.914 1.00 0.00 N ATOM 359 CA THR A 23 -10.895 10.610 -2.026 1.00 0.00 C ATOM 360 C THR A 23 -11.816 10.162 -0.895 1.00 0.00 C ATOM 361 O THR A 23 -12.949 9.735 -1.150 1.00 0.00 O ATOM 362 CB THR A 23 -11.437 11.833 -2.802 1.00 0.00 C ATOM 363 OG1 THR A 23 -11.880 11.527 -4.114 1.00 0.00 O ATOM 364 CG2 THR A 23 -10.350 12.904 -2.918 1.00 0.00 C ATOM 0 H THR A 23 -11.508 8.879 -3.000 1.00 0.00 H new ATOM 0 HA THR A 23 -9.950 10.937 -1.593 1.00 0.00 H new ATOM 0 HB THR A 23 -12.295 12.185 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.210 12.342 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.741 13.761 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.043 13.220 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.491 12.495 -3.450 1.00 0.00 H new ATOM 372 N SER A 24 -11.355 10.180 0.356 1.00 0.00 N ATOM 373 CA SER A 24 -12.200 9.850 1.503 1.00 0.00 C ATOM 374 C SER A 24 -12.373 11.024 2.467 1.00 0.00 C ATOM 375 O SER A 24 -13.073 10.884 3.470 1.00 0.00 O ATOM 376 CB SER A 24 -11.695 8.563 2.161 1.00 0.00 C ATOM 377 OG SER A 24 -10.353 8.699 2.558 1.00 0.00 O ATOM 0 H SER A 24 -10.395 10.421 0.601 1.00 0.00 H new ATOM 0 HA SER A 24 -13.213 9.655 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.313 8.325 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.790 7.731 1.463 1.00 0.00 H new ATOM 0 HG SER A 24 -10.316 9.077 3.461 1.00 0.00 H new ATOM 383 N ASP A 25 -11.829 12.189 2.116 1.00 0.00 N ATOM 384 CA ASP A 25 -11.795 13.492 2.806 1.00 0.00 C ATOM 385 C ASP A 25 -11.068 13.477 4.155 1.00 0.00 C ATOM 386 O ASP A 25 -10.315 14.389 4.498 1.00 0.00 O ATOM 387 CB ASP A 25 -13.208 14.068 2.956 1.00 0.00 C ATOM 388 CG ASP A 25 -13.160 15.593 2.965 1.00 0.00 C ATOM 389 OD1 ASP A 25 -13.157 16.180 1.859 1.00 0.00 O ATOM 390 OD2 ASP A 25 -13.140 16.199 4.061 1.00 0.00 O ATOM 0 H ASP A 25 -11.336 12.256 1.226 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.203 14.144 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.838 13.722 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.659 13.706 3.880 1.00 0.00 H new ATOM 395 N LYS A 26 -11.230 12.393 4.905 1.00 0.00 N ATOM 396 CA LYS A 26 -10.544 12.040 6.118 1.00 0.00 C ATOM 397 C LYS A 26 -10.175 10.574 5.963 1.00 0.00 C ATOM 398 O LYS A 26 -10.832 9.827 5.237 1.00 0.00 O ATOM 399 CB LYS A 26 -11.462 12.273 7.331 1.00 0.00 C ATOM 400 CG LYS A 26 -10.656 12.447 8.626 1.00 0.00 C ATOM 401 CD LYS A 26 -10.082 13.865 8.734 1.00 0.00 C ATOM 402 CE LYS A 26 -8.752 13.956 9.495 1.00 0.00 C ATOM 403 NZ LYS A 26 -7.565 13.772 8.626 1.00 0.00 N ATOM 0 H LYS A 26 -11.911 11.680 4.645 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.655 12.648 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.073 13.159 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.145 11.431 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.295 12.244 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.844 11.720 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.939 14.263 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.814 14.503 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.688 14.927 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.739 13.201 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.700 13.845 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.605 12.835 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.556 14.508 7.891 1.00 0.00 H new ATOM 417 N ASN A 27 -9.137 10.179 6.686 1.00 0.00 N ATOM 418 CA ASN A 27 -8.609 8.823 6.766 1.00 0.00 C ATOM 419 C ASN A 27 -8.418 8.243 5.359 1.00 0.00 C ATOM 420 O ASN A 27 -9.157 7.336 4.963 1.00 0.00 O ATOM 421 CB ASN A 27 -9.498 7.970 7.691 1.00 0.00 C ATOM 422 CG ASN A 27 -9.502 8.542 9.100 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.450 8.661 9.721 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.625 9.017 9.613 1.00 0.00 N ATOM 0 H ASN A 27 -8.610 10.833 7.266 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.617 8.825 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.515 7.940 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.134 6.943 7.710 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.615 9.480 10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.501 8.920 9.100 1.00 0.00 H new ATOM 431 N PRO A 28 -7.462 8.781 4.577 1.00 0.00 N ATOM 432 CA PRO A 28 -7.155 8.268 3.250 1.00 0.00 C ATOM 433 C PRO A 28 -6.604 6.840 3.337 1.00 0.00 C ATOM 434 O PRO A 28 -5.999 6.490 4.355 1.00 0.00 O ATOM 435 CB PRO A 28 -6.142 9.247 2.650 1.00 0.00 C ATOM 436 CG PRO A 28 -5.463 9.871 3.863 1.00 0.00 C ATOM 437 CD PRO A 28 -6.564 9.876 4.920 1.00 0.00 C ATOM 0 HA PRO A 28 -8.041 8.202 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.423 8.734 2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.633 10.002 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.600 9.288 4.185 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.106 10.879 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.147 9.739 5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.095 10.828 4.925 1.00 0.00 H new ATOM 445 N PRO A 29 -6.738 6.031 2.269 1.00 0.00 N ATOM 446 CA PRO A 29 -6.011 4.779 2.126 1.00 0.00 C ATOM 447 C PRO A 29 -4.530 5.090 1.910 1.00 0.00 C ATOM 448 O PRO A 29 -3.991 5.076 0.802 1.00 0.00 O ATOM 449 CB PRO A 29 -6.671 4.027 0.974 1.00 0.00 C ATOM 450 CG PRO A 29 -7.397 5.097 0.166 1.00 0.00 C ATOM 451 CD PRO A 29 -7.610 6.261 1.126 1.00 0.00 C ATOM 0 HA PRO A 29 -6.052 4.145 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.930 3.509 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.366 3.272 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.807 5.404 -0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.348 4.723 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.372 7.209 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.652 6.317 1.440 1.00 0.00 H new ATOM 459 N GLU A 30 -3.860 5.397 3.004 1.00 0.00 N ATOM 460 CA GLU A 30 -2.464 5.758 3.113 1.00 0.00 C ATOM 461 C GLU A 30 -1.751 4.548 3.734 1.00 0.00 C ATOM 462 O GLU A 30 -2.359 3.773 4.483 1.00 0.00 O ATOM 463 CB GLU A 30 -2.413 7.057 3.940 1.00 0.00 C ATOM 464 CG GLU A 30 -2.755 6.811 5.413 1.00 0.00 C ATOM 465 CD GLU A 30 -3.272 8.027 6.191 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.647 9.112 6.139 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.173 7.874 7.044 1.00 0.00 O ATOM 0 H GLU A 30 -4.319 5.400 3.915 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.956 5.969 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.418 7.495 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.112 7.781 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.507 6.024 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.864 6.434 5.915 1.00 0.00 H new ATOM 474 N ILE A 31 -0.483 4.349 3.404 1.00 0.00 N ATOM 475 CA ILE A 31 0.311 3.197 3.785 1.00 0.00 C ATOM 476 C ILE A 31 1.638 3.727 4.320 1.00 0.00 C ATOM 477 O ILE A 31 2.176 4.729 3.838 1.00 0.00 O ATOM 478 CB ILE A 31 0.422 2.217 2.586 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.931 0.829 3.031 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.252 2.775 1.412 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.881 -0.220 1.912 1.00 0.00 C ATOM 0 H ILE A 31 0.040 5.017 2.839 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.145 2.605 4.578 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.592 2.097 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.957 0.922 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.332 0.482 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.288 2.038 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.791 3.691 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.265 2.990 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.252 -1.173 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.148 -0.340 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.503 0.107 1.079 1.00 0.00 H new ATOM 493 N SER A 32 2.186 3.052 5.319 1.00 0.00 N ATOM 494 CA SER A 32 3.508 3.327 5.839 1.00 0.00 C ATOM 495 C SER A 32 4.176 1.989 6.097 1.00 0.00 C ATOM 496 O SER A 32 3.500 0.952 6.157 1.00 0.00 O ATOM 497 CB SER A 32 3.404 4.210 7.091 1.00 0.00 C ATOM 498 OG SER A 32 2.593 3.622 8.099 1.00 0.00 O ATOM 0 H SER A 32 1.712 2.285 5.796 1.00 0.00 H new ATOM 0 HA SER A 32 4.119 3.888 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.402 4.390 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.991 5.180 6.815 1.00 0.00 H new ATOM 0 HG SER A 32 2.556 4.216 8.877 1.00 0.00 H new ATOM 504 N PHE A 33 5.493 2.022 6.275 1.00 0.00 N ATOM 505 CA PHE A 33 6.255 0.837 6.603 1.00 0.00 C ATOM 506 C PHE A 33 7.061 1.100 7.862 1.00 0.00 C ATOM 507 O PHE A 33 7.251 2.255 8.251 1.00 0.00 O ATOM 508 CB PHE A 33 7.119 0.387 5.418 1.00 0.00 C ATOM 509 CG PHE A 33 6.333 0.162 4.141 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.050 1.245 3.284 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.845 -1.120 3.832 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.265 1.052 2.135 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.073 -1.313 2.674 1.00 0.00 C ATOM 514 CZ PHE A 33 4.768 -0.228 1.835 1.00 0.00 C ATOM 0 H PHE A 33 6.054 2.870 6.195 1.00 0.00 H new ATOM 0 HA PHE A 33 5.580 0.005 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.887 1.138 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.634 -0.536 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.438 2.227 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.063 -1.954 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.044 1.885 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.712 -2.301 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.152 -0.377 0.960 1.00 0.00 H new ATOM 524 N GLY A 34 7.551 0.039 8.491 1.00 0.00 N ATOM 525 CA GLY A 34 8.465 0.115 9.616 1.00 0.00 C ATOM 526 C GLY A 34 9.337 -1.127 9.630 1.00 0.00 C ATOM 527 O GLY A 34 9.295 -1.910 8.681 1.00 0.00 O ATOM 0 H GLY A 34 7.317 -0.917 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.084 1.009 9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.907 0.194 10.549 1.00 0.00 H new ATOM 531 N GLU A 35 10.114 -1.286 10.700 1.00 0.00 N ATOM 532 CA GLU A 35 11.102 -2.345 10.905 1.00 0.00 C ATOM 533 C GLU A 35 10.542 -3.709 10.492 1.00 0.00 C ATOM 534 O GLU A 35 9.340 -3.960 10.572 1.00 0.00 O ATOM 535 CB GLU A 35 11.504 -2.383 12.396 1.00 0.00 C ATOM 536 CG GLU A 35 12.994 -2.151 12.691 1.00 0.00 C ATOM 537 CD GLU A 35 13.930 -3.290 12.273 1.00 0.00 C ATOM 538 OE1 GLU A 35 13.816 -3.835 11.156 1.00 0.00 O ATOM 539 OE2 GLU A 35 14.832 -3.687 13.047 1.00 0.00 O ATOM 0 H GLU A 35 10.069 -0.644 11.491 1.00 0.00 H new ATOM 0 HA GLU A 35 11.973 -2.131 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.925 -1.628 12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.218 -3.352 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.310 -1.239 12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.113 -1.979 13.761 1.00 0.00 H new ATOM 546 N LYS A 36 11.427 -4.605 10.054 1.00 0.00 N ATOM 547 CA LYS A 36 11.076 -5.869 9.414 1.00 0.00 C ATOM 548 C LYS A 36 10.204 -5.634 8.175 1.00 0.00 C ATOM 549 O LYS A 36 9.456 -6.542 7.808 1.00 0.00 O ATOM 550 CB LYS A 36 10.434 -6.839 10.430 1.00 0.00 C ATOM 551 CG LYS A 36 11.223 -7.087 11.727 1.00 0.00 C ATOM 552 CD LYS A 36 12.424 -8.029 11.548 1.00 0.00 C ATOM 553 CE LYS A 36 13.697 -7.319 11.075 1.00 0.00 C ATOM 554 NZ LYS A 36 14.241 -6.423 12.112 1.00 0.00 N ATOM 0 H LYS A 36 12.434 -4.466 10.138 1.00 0.00 H new ATOM 0 HA LYS A 36 11.989 -6.349 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.450 -6.453 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.278 -7.798 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.576 -6.132 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.551 -7.507 12.476 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.627 -8.528 12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.162 -8.805 10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.448 -8.061 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.479 -6.744 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.425 -5.486 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.554 -6.332 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.129 -6.819 12.482 1.00 0.00 H new ATOM 568 N MET A 37 10.311 -4.469 7.516 1.00 0.00 N ATOM 569 CA MET A 37 9.524 -4.077 6.343 1.00 0.00 C ATOM 570 C MET A 37 8.012 -4.253 6.590 1.00 0.00 C ATOM 571 O MET A 37 7.240 -4.502 5.661 1.00 0.00 O ATOM 572 CB MET A 37 10.057 -4.834 5.102 1.00 0.00 C ATOM 573 CG MET A 37 10.836 -3.948 4.124 1.00 0.00 C ATOM 574 SD MET A 37 10.134 -3.862 2.457 1.00 0.00 S ATOM 575 CE MET A 37 8.608 -2.941 2.737 1.00 0.00 C ATOM 0 H MET A 37 10.975 -3.748 7.799 1.00 0.00 H new ATOM 0 HA MET A 37 9.646 -3.011 6.149 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.702 -5.647 5.434 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.217 -5.288 4.576 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.890 -2.939 4.533 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.859 -4.319 4.054 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.169 -2.664 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.905 -3.562 3.292 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.827 -2.040 3.310 1.00 0.00 H new ATOM 585 N MET A 38 7.572 -4.138 7.845 1.00 0.00 N ATOM 586 CA MET A 38 6.199 -4.278 8.269 1.00 0.00 C ATOM 587 C MET A 38 5.333 -3.281 7.527 1.00 0.00 C ATOM 588 O MET A 38 5.729 -2.138 7.305 1.00 0.00 O ATOM 589 CB MET A 38 6.177 -4.049 9.774 1.00 0.00 C ATOM 590 CG MET A 38 4.993 -4.662 10.496 1.00 0.00 C ATOM 591 SD MET A 38 3.486 -3.679 10.479 1.00 0.00 S ATOM 592 CE MET A 38 2.345 -5.058 10.343 1.00 0.00 C ATOM 0 H MET A 38 8.202 -3.935 8.621 1.00 0.00 H new ATOM 0 HA MET A 38 5.800 -5.267 8.045 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.094 -4.454 10.202 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.184 -2.976 9.964 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.779 -5.632 10.048 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.276 -4.845 11.533 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.353 -4.742 10.665 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.301 -5.393 9.307 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.688 -5.877 10.975 1.00 0.00 H new ATOM 602 N ILE A 39 4.143 -3.728 7.172 1.00 0.00 N ATOM 603 CA ILE A 39 3.196 -3.061 6.283 1.00 0.00 C ATOM 604 C ILE A 39 2.000 -2.654 7.148 1.00 0.00 C ATOM 605 O ILE A 39 1.440 -3.518 7.831 1.00 0.00 O ATOM 606 CB ILE A 39 2.764 -4.008 5.124 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.930 -4.760 4.434 1.00 0.00 C ATOM 608 CG2 ILE A 39 1.981 -3.221 4.057 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.455 -5.910 3.530 1.00 0.00 C ATOM 0 H ILE A 39 3.785 -4.620 7.514 1.00 0.00 H new ATOM 0 HA ILE A 39 3.645 -2.186 5.812 1.00 0.00 H new ATOM 0 HB ILE A 39 2.140 -4.767 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.509 -4.053 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.600 -5.158 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.685 -3.894 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.091 -2.782 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.612 -2.429 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.318 -6.397 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.901 -6.636 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.809 -5.514 2.747 1.00 0.00 H new ATOM 621 N SER A 40 1.617 -1.373 7.129 1.00 0.00 N ATOM 622 CA SER A 40 0.511 -0.835 7.916 1.00 0.00 C ATOM 623 C SER A 40 -0.356 0.094 7.067 1.00 0.00 C ATOM 624 O SER A 40 0.178 0.962 6.368 1.00 0.00 O ATOM 625 CB SER A 40 1.085 -0.065 9.108 1.00 0.00 C ATOM 626 OG SER A 40 1.734 -0.942 10.008 1.00 0.00 O ATOM 0 H SER A 40 2.079 -0.670 6.553 1.00 0.00 H new ATOM 0 HA SER A 40 -0.114 -1.657 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.790 0.688 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.284 0.465 9.624 1.00 0.00 H new ATOM 0 HG SER A 40 2.095 -0.429 10.761 1.00 0.00 H new ATOM 632 N GLY A 41 -1.683 -0.034 7.168 1.00 0.00 N ATOM 633 CA GLY A 41 -2.637 0.697 6.352 1.00 0.00 C ATOM 634 C GLY A 41 -4.059 0.136 6.479 1.00 0.00 C ATOM 635 O GLY A 41 -4.310 -0.874 7.142 1.00 0.00 O ATOM 0 H GLY A 41 -2.126 -0.665 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.635 1.747 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.325 0.658 5.308 1.00 0.00 H new ATOM 639 N SER A 42 -5.010 0.783 5.817 1.00 0.00 N ATOM 640 CA SER A 42 -6.371 0.345 5.611 1.00 0.00 C ATOM 641 C SER A 42 -6.830 0.866 4.258 1.00 0.00 C ATOM 642 O SER A 42 -7.107 2.053 4.117 1.00 0.00 O ATOM 643 CB SER A 42 -7.269 0.859 6.742 1.00 0.00 C ATOM 644 OG SER A 42 -8.619 0.502 6.506 1.00 0.00 O ATOM 0 H SER A 42 -4.831 1.689 5.383 1.00 0.00 H new ATOM 0 HA SER A 42 -6.432 -0.743 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.938 0.444 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.182 1.943 6.819 1.00 0.00 H new ATOM 0 HG SER A 42 -9.179 0.836 7.238 1.00 0.00 H new ATOM 650 N MET A 43 -6.985 -0.035 3.285 1.00 0.00 N ATOM 651 CA MET A 43 -7.731 0.297 2.079 1.00 0.00 C ATOM 652 C MET A 43 -9.186 0.627 2.414 1.00 0.00 C ATOM 653 O MET A 43 -9.741 1.559 1.851 1.00 0.00 O ATOM 654 CB MET A 43 -7.693 -0.858 1.067 1.00 0.00 C ATOM 655 CG MET A 43 -6.339 -0.987 0.371 1.00 0.00 C ATOM 656 SD MET A 43 -5.801 0.485 -0.540 1.00 0.00 S ATOM 657 CE MET A 43 -4.549 -0.312 -1.572 1.00 0.00 C ATOM 0 H MET A 43 -6.609 -0.983 3.311 1.00 0.00 H new ATOM 0 HA MET A 43 -7.256 1.172 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.924 -1.792 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.469 -0.705 0.317 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.584 -1.228 1.120 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.382 -1.828 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.098 0.428 -2.234 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.778 -0.748 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.015 -1.096 -2.169 1.00 0.00 H new ATOM 667 N CYS A 44 -9.818 -0.179 3.261 1.00 0.00 N ATOM 668 CA CYS A 44 -11.241 -0.131 3.585 1.00 0.00 C ATOM 669 C CYS A 44 -11.358 -0.799 4.938 1.00 0.00 C ATOM 670 O CYS A 44 -11.691 -0.167 5.934 1.00 0.00 O ATOM 671 CB CYS A 44 -12.052 -0.865 2.501 1.00 0.00 C ATOM 672 SG CYS A 44 -13.743 -0.411 2.173 1.00 0.00 S ATOM 0 H CYS A 44 -9.329 -0.919 3.765 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.637 0.884 3.619 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.504 -0.762 1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.048 -1.924 2.758 1.00 0.00 H new ATOM 677 N ASN A 45 -10.960 -2.066 4.971 1.00 0.00 N ATOM 678 CA ASN A 45 -11.255 -3.018 6.032 1.00 0.00 C ATOM 679 C ASN A 45 -10.110 -3.255 7.015 1.00 0.00 C ATOM 680 O ASN A 45 -10.172 -4.205 7.789 1.00 0.00 O ATOM 681 CB ASN A 45 -11.637 -4.343 5.362 1.00 0.00 C ATOM 682 CG ASN A 45 -13.122 -4.624 5.502 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.674 -4.451 6.577 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.812 -5.023 4.447 1.00 0.00 N ATOM 0 H ASN A 45 -10.398 -2.474 4.224 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.062 -2.598 6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.369 -4.309 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.067 -5.157 5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.815 -5.189 4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.341 -5.165 3.553 1.00 0.00 H new ATOM 691 N ARG A 46 -9.075 -2.414 6.990 1.00 0.00 N ATOM 692 CA ARG A 46 -7.745 -2.592 7.589 1.00 0.00 C ATOM 693 C ARG A 46 -6.997 -3.782 7.025 1.00 0.00 C ATOM 694 O ARG A 46 -7.595 -4.742 6.572 1.00 0.00 O ATOM 695 CB ARG A 46 -7.822 -2.660 9.118 1.00 0.00 C ATOM 696 CG ARG A 46 -7.860 -1.261 9.720 1.00 0.00 C ATOM 697 CD ARG A 46 -6.459 -0.720 10.034 1.00 0.00 C ATOM 698 NE ARG A 46 -5.817 -1.455 11.134 1.00 0.00 N ATOM 699 CZ ARG A 46 -6.169 -1.429 12.424 1.00 0.00 C ATOM 700 NH1 ARG A 46 -7.144 -0.631 12.847 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.503 -2.203 13.269 1.00 0.00 N ATOM 0 H ARG A 46 -9.148 -1.516 6.512 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.169 -1.707 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.712 -3.214 9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.961 -3.205 9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.361 -0.584 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.453 -1.278 10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.836 -0.787 9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.529 0.336 10.296 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.022 -2.045 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.634 -0.029 12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.403 -0.621 13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.746 -2.796 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.748 -2.206 14.259 1.00 0.00 H new ATOM 715 N PHE A 47 -5.673 -3.699 7.051 1.00 0.00 N ATOM 716 CA PHE A 47 -4.768 -4.805 6.763 1.00 0.00 C ATOM 717 C PHE A 47 -3.430 -4.490 7.399 1.00 0.00 C ATOM 718 O PHE A 47 -3.205 -3.385 7.897 1.00 0.00 O ATOM 719 CB PHE A 47 -4.610 -5.080 5.252 1.00 0.00 C ATOM 720 CG PHE A 47 -3.883 -4.040 4.413 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.398 -2.737 4.283 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.698 -4.383 3.730 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.712 -1.773 3.524 1.00 0.00 C ATOM 724 CE2 PHE A 47 -2.005 -3.416 2.980 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.507 -2.107 2.885 1.00 0.00 C ATOM 0 H PHE A 47 -5.184 -2.834 7.280 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.191 -5.718 7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.085 -6.029 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.606 -5.214 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.326 -2.476 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.321 -5.394 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.112 -0.774 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.086 -3.680 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.967 -1.360 2.322 1.00 0.00 H new ATOM 735 N SER A 48 -2.549 -5.469 7.396 1.00 0.00 N ATOM 736 CA SER A 48 -1.208 -5.408 7.934 1.00 0.00 C ATOM 737 C SER A 48 -0.437 -6.553 7.282 1.00 0.00 C ATOM 738 O SER A 48 -1.087 -7.505 6.833 1.00 0.00 O ATOM 739 CB SER A 48 -1.301 -5.673 9.438 1.00 0.00 C ATOM 740 OG SER A 48 -1.792 -4.583 10.198 1.00 0.00 O ATOM 0 H SER A 48 -2.764 -6.382 6.994 1.00 0.00 H new ATOM 0 HA SER A 48 -0.727 -4.447 7.751 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.948 -6.535 9.603 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.312 -5.941 9.809 1.00 0.00 H new ATOM 0 HG SER A 48 -2.246 -3.949 9.605 1.00 0.00 H new ATOM 746 N GLY A 49 0.900 -6.574 7.309 1.00 0.00 N ATOM 747 CA GLY A 49 1.597 -7.834 7.192 1.00 0.00 C ATOM 748 C GLY A 49 3.091 -7.637 7.347 1.00 0.00 C ATOM 749 O GLY A 49 3.581 -6.510 7.315 1.00 0.00 O ATOM 0 H GLY A 49 1.496 -5.752 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.236 -8.527 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.383 -8.285 6.223 1.00 0.00 H new ATOM 753 N GLU A 50 3.825 -8.734 7.463 1.00 0.00 N ATOM 754 CA GLU A 50 5.251 -8.725 7.253 1.00 0.00 C ATOM 755 C GLU A 50 5.487 -8.609 5.748 1.00 0.00 C ATOM 756 O GLU A 50 5.110 -9.513 4.995 1.00 0.00 O ATOM 757 CB GLU A 50 5.853 -10.005 7.838 1.00 0.00 C ATOM 758 CG GLU A 50 7.354 -10.033 7.565 1.00 0.00 C ATOM 759 CD GLU A 50 8.091 -11.018 8.468 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.687 -12.200 8.486 1.00 0.00 O ATOM 761 OE2 GLU A 50 9.065 -10.599 9.138 1.00 0.00 O ATOM 0 H GLU A 50 3.443 -9.648 7.705 1.00 0.00 H new ATOM 0 HA GLU A 50 5.734 -7.886 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.667 -10.049 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.376 -10.879 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.526 -10.301 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.766 -9.034 7.709 1.00 0.00 H new ATOM 768 N GLY A 51 6.018 -7.471 5.315 1.00 0.00 N ATOM 769 CA GLY A 51 6.724 -7.336 4.040 1.00 0.00 C ATOM 770 C GLY A 51 8.190 -7.788 4.117 1.00 0.00 C ATOM 771 O GLY A 51 8.674 -8.181 5.176 1.00 0.00 O ATOM 0 H GLY A 51 5.971 -6.601 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.208 -7.923 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.686 -6.295 3.718 1.00 0.00 H new ATOM 775 N LYS A 52 8.932 -7.709 3.005 1.00 0.00 N ATOM 776 CA LYS A 52 10.395 -7.857 2.914 1.00 0.00 C ATOM 777 C LYS A 52 10.839 -7.272 1.571 1.00 0.00 C ATOM 778 O LYS A 52 10.026 -7.255 0.642 1.00 0.00 O ATOM 779 CB LYS A 52 10.768 -9.351 3.029 1.00 0.00 C ATOM 780 CG LYS A 52 12.230 -9.686 2.675 1.00 0.00 C ATOM 781 CD LYS A 52 12.573 -11.125 3.074 1.00 0.00 C ATOM 782 CE LYS A 52 13.738 -11.667 2.237 1.00 0.00 C ATOM 783 NZ LYS A 52 13.770 -13.142 2.244 1.00 0.00 N ATOM 0 H LYS A 52 8.508 -7.531 2.095 1.00 0.00 H new ATOM 0 HA LYS A 52 10.899 -7.328 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.572 -9.682 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.111 -9.925 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.389 -9.553 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.900 -8.993 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.834 -11.160 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.698 -11.761 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.648 -11.309 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.679 -11.280 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.570 -13.475 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.881 -13.482 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.882 -13.510 1.848 1.00 0.00 H new ATOM 797 N LEU A 53 12.105 -6.854 1.426 1.00 0.00 N ATOM 798 CA LEU A 53 12.664 -6.349 0.173 1.00 0.00 C ATOM 799 C LEU A 53 13.897 -7.174 -0.191 1.00 0.00 C ATOM 800 O LEU A 53 14.905 -7.148 0.521 1.00 0.00 O ATOM 801 CB LEU A 53 13.001 -4.853 0.302 1.00 0.00 C ATOM 802 CG LEU A 53 13.212 -4.085 -1.015 1.00 0.00 C ATOM 803 CD1 LEU A 53 14.366 -4.614 -1.865 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.932 -4.003 -1.860 1.00 0.00 C ATOM 0 H LEU A 53 12.778 -6.859 2.193 1.00 0.00 H new ATOM 0 HA LEU A 53 11.931 -6.448 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.197 -4.368 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.905 -4.757 0.903 1.00 0.00 H new ATOM 0 HG LEU A 53 13.485 -3.079 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.449 -4.020 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.296 -4.545 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.178 -5.655 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.136 -3.451 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.595 -5.009 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.155 -3.490 -1.294 1.00 0.00 H new ATOM 816 N SER A 54 13.824 -7.899 -1.310 1.00 0.00 N ATOM 817 CA SER A 54 14.943 -8.664 -1.845 1.00 0.00 C ATOM 818 C SER A 54 15.083 -8.457 -3.359 1.00 0.00 C ATOM 819 O SER A 54 16.162 -8.057 -3.799 1.00 0.00 O ATOM 820 CB SER A 54 14.769 -10.126 -1.430 1.00 0.00 C ATOM 821 OG SER A 54 15.880 -10.914 -1.812 1.00 0.00 O ATOM 0 H SER A 54 12.976 -7.969 -1.873 1.00 0.00 H new ATOM 0 HA SER A 54 15.887 -8.311 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.636 -10.184 -0.350 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.864 -10.528 -1.885 1.00 0.00 H new ATOM 0 HG SER A 54 15.736 -11.841 -1.530 1.00 0.00 H new ATOM 827 N ASN A 55 14.025 -8.686 -4.149 1.00 0.00 N ATOM 828 CA ASN A 55 14.067 -8.553 -5.617 1.00 0.00 C ATOM 829 C ASN A 55 13.255 -7.362 -6.149 1.00 0.00 C ATOM 830 O ASN A 55 13.009 -7.264 -7.347 1.00 0.00 O ATOM 831 CB ASN A 55 13.734 -9.891 -6.310 1.00 0.00 C ATOM 832 CG ASN A 55 12.249 -10.200 -6.460 1.00 0.00 C ATOM 833 OD1 ASN A 55 11.617 -9.857 -7.450 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.663 -10.904 -5.511 1.00 0.00 N ATOM 0 H ASN A 55 13.113 -8.969 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 55 15.096 -8.311 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.189 -9.890 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.200 -10.699 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.681 -11.164 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.192 -11.189 -4.687 1.00 0.00 H new ATOM 841 N GLY A 56 12.845 -6.452 -5.259 1.00 0.00 N ATOM 842 CA GLY A 56 11.938 -5.346 -5.569 1.00 0.00 C ATOM 843 C GLY A 56 10.476 -5.725 -5.336 1.00 0.00 C ATOM 844 O GLY A 56 9.574 -4.948 -5.622 1.00 0.00 O ATOM 0 H GLY A 56 13.142 -6.466 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.192 -4.484 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.074 -5.045 -6.608 1.00 0.00 H new ATOM 848 N GLU A 57 10.219 -6.920 -4.807 1.00 0.00 N ATOM 849 CA GLU A 57 8.910 -7.546 -4.787 1.00 0.00 C ATOM 850 C GLU A 57 8.441 -7.652 -3.338 1.00 0.00 C ATOM 851 O GLU A 57 9.013 -8.386 -2.525 1.00 0.00 O ATOM 852 CB GLU A 57 9.075 -8.901 -5.454 1.00 0.00 C ATOM 853 CG GLU A 57 7.818 -9.734 -5.688 1.00 0.00 C ATOM 854 CD GLU A 57 8.282 -11.084 -6.237 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.851 -11.876 -5.447 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.215 -11.295 -7.469 1.00 0.00 O ATOM 0 H GLU A 57 10.941 -7.492 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 57 8.152 -6.975 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.557 -8.743 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.761 -9.492 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.262 -9.864 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.151 -9.238 -6.393 1.00 0.00 H new ATOM 863 N LEU A 58 7.439 -6.850 -2.987 1.00 0.00 N ATOM 864 CA LEU A 58 6.762 -6.890 -1.701 1.00 0.00 C ATOM 865 C LEU A 58 5.741 -8.020 -1.711 1.00 0.00 C ATOM 866 O LEU A 58 4.617 -7.838 -2.184 1.00 0.00 O ATOM 867 CB LEU A 58 6.110 -5.526 -1.422 1.00 0.00 C ATOM 868 CG LEU A 58 5.517 -5.398 -0.012 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.606 -5.464 1.062 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.752 -4.074 0.123 1.00 0.00 C ATOM 0 H LEU A 58 7.067 -6.134 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 58 7.473 -7.085 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.854 -4.742 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.321 -5.355 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 58 4.835 -6.236 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.151 -5.370 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.128 -6.418 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.316 -4.650 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.336 -3.995 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.432 -3.241 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.944 -4.045 -0.608 1.00 0.00 H new ATOM 882 N THR A 59 6.124 -9.183 -1.191 1.00 0.00 N ATOM 883 CA THR A 59 5.209 -10.280 -0.898 1.00 0.00 C ATOM 884 C THR A 59 4.780 -10.218 0.561 1.00 0.00 C ATOM 885 O THR A 59 5.569 -9.848 1.440 1.00 0.00 O ATOM 886 CB THR A 59 5.882 -11.638 -1.187 1.00 0.00 C ATOM 887 OG1 THR A 59 7.272 -11.612 -0.879 1.00 0.00 O ATOM 888 CG2 THR A 59 5.751 -12.017 -2.651 1.00 0.00 C ATOM 0 H THR A 59 7.095 -9.392 -0.958 1.00 0.00 H new ATOM 0 HA THR A 59 4.332 -10.182 -1.538 1.00 0.00 H new ATOM 0 HB THR A 59 5.372 -12.367 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.666 -12.488 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.235 -12.978 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.696 -12.090 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.228 -11.255 -3.268 1.00 0.00 H new ATOM 896 N ALA A 60 3.539 -10.633 0.818 1.00 0.00 N ATOM 897 CA ALA A 60 3.081 -10.963 2.156 1.00 0.00 C ATOM 898 C ALA A 60 3.763 -12.241 2.671 1.00 0.00 C ATOM 899 O ALA A 60 4.447 -12.956 1.936 1.00 0.00 O ATOM 900 CB ALA A 60 1.551 -11.094 2.153 1.00 0.00 C ATOM 0 H ALA A 60 2.826 -10.748 0.098 1.00 0.00 H new ATOM 0 HA ALA A 60 3.357 -10.161 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.205 -11.342 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.106 -10.150 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.255 -11.883 1.462 1.00 0.00 H new ATOM 906 N LYS A 61 3.570 -12.523 3.958 1.00 0.00 N ATOM 907 CA LYS A 61 4.077 -13.653 4.715 1.00 0.00 C ATOM 908 C LYS A 61 3.198 -13.979 5.931 1.00 0.00 C ATOM 909 O LYS A 61 3.435 -14.980 6.605 1.00 0.00 O ATOM 910 CB LYS A 61 5.486 -13.284 5.200 1.00 0.00 C ATOM 911 CG LYS A 61 6.343 -14.538 5.193 1.00 0.00 C ATOM 912 CD LYS A 61 7.723 -14.246 5.776 1.00 0.00 C ATOM 913 CE LYS A 61 8.654 -15.422 5.493 1.00 0.00 C ATOM 914 NZ LYS A 61 10.064 -14.998 5.551 1.00 0.00 N ATOM 0 H LYS A 61 3.004 -11.909 4.544 1.00 0.00 H new ATOM 0 HA LYS A 61 4.081 -14.535 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.922 -12.524 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.442 -12.861 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.855 -15.322 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.444 -14.911 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.129 -13.334 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.648 -14.078 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.478 -16.215 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.434 -15.837 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.680 -15.813 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.233 -14.258 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.275 -14.624 6.498 1.00 0.00 H new ATOM 928 N GLY A 62 2.237 -13.116 6.266 1.00 0.00 N ATOM 929 CA GLY A 62 1.424 -13.202 7.465 1.00 0.00 C ATOM 930 C GLY A 62 0.637 -11.907 7.539 1.00 0.00 C ATOM 931 O GLY A 62 1.040 -10.971 8.236 1.00 0.00 O ATOM 0 H GLY A 62 2.001 -12.312 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.755 -14.062 7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.048 -13.329 8.350 1.00 0.00 H new ATOM 935 N LEU A 63 -0.418 -11.806 6.728 1.00 0.00 N ATOM 936 CA LEU A 63 -1.196 -10.601 6.524 1.00 0.00 C ATOM 937 C LEU A 63 -2.611 -10.823 7.035 1.00 0.00 C ATOM 938 O LEU A 63 -3.150 -11.932 7.009 1.00 0.00 O ATOM 939 CB LEU A 63 -1.056 -10.125 5.060 1.00 0.00 C ATOM 940 CG LEU A 63 -2.283 -9.540 4.339 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.772 -8.560 3.274 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.146 -10.611 3.660 1.00 0.00 C ATOM 0 H LEU A 63 -0.760 -12.595 6.179 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.818 -9.764 7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.270 -9.370 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.703 -10.972 4.472 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.914 -9.051 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.619 -8.126 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.200 -7.766 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.134 -9.091 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.995 -10.136 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.549 -11.143 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.507 -11.316 4.409 1.00 0.00 H new ATOM 954 N ALA A 64 -3.193 -9.745 7.545 1.00 0.00 N ATOM 955 CA ALA A 64 -4.493 -9.726 8.186 1.00 0.00 C ATOM 956 C ALA A 64 -5.408 -8.767 7.436 1.00 0.00 C ATOM 957 O ALA A 64 -4.939 -7.965 6.629 1.00 0.00 O ATOM 958 CB ALA A 64 -4.313 -9.310 9.648 1.00 0.00 C ATOM 0 H ALA A 64 -2.751 -8.826 7.520 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.953 -10.714 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.284 -9.291 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.662 -10.024 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.865 -8.317 9.691 1.00 0.00 H new ATOM 964 N MET A 65 -6.702 -8.833 7.732 1.00 0.00 N ATOM 965 CA MET A 65 -7.740 -7.909 7.284 1.00 0.00 C ATOM 966 C MET A 65 -8.831 -7.891 8.366 1.00 0.00 C ATOM 967 O MET A 65 -8.680 -8.580 9.383 1.00 0.00 O ATOM 968 CB MET A 65 -8.270 -8.353 5.903 1.00 0.00 C ATOM 969 CG MET A 65 -7.731 -7.523 4.731 1.00 0.00 C ATOM 970 SD MET A 65 -8.820 -6.168 4.208 1.00 0.00 S ATOM 971 CE MET A 65 -7.829 -5.421 2.889 1.00 0.00 C ATOM 0 H MET A 65 -7.076 -9.574 8.324 1.00 0.00 H new ATOM 0 HA MET A 65 -7.359 -6.896 7.154 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.009 -9.399 5.744 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.358 -8.293 5.907 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.763 -7.107 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.560 -8.184 3.881 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.865 -4.335 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.796 -5.758 2.975 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.229 -5.720 1.920 1.00 0.00 H new ATOM 981 N THR A 66 -9.917 -7.136 8.183 1.00 0.00 N ATOM 982 CA THR A 66 -11.137 -7.309 8.976 1.00 0.00 C ATOM 983 C THR A 66 -12.362 -7.411 8.051 1.00 0.00 C ATOM 984 O THR A 66 -12.225 -7.372 6.821 1.00 0.00 O ATOM 985 CB THR A 66 -11.266 -6.250 10.101 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.780 -5.013 9.664 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.959 -5.943 10.850 1.00 0.00 C ATOM 0 H THR A 66 -9.976 -6.393 7.487 1.00 0.00 H new ATOM 0 HA THR A 66 -11.077 -8.256 9.513 1.00 0.00 H new ATOM 0 HB THR A 66 -11.968 -6.737 10.778 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.391 -4.786 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.147 -5.192 11.617 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.585 -6.854 11.318 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.217 -5.565 10.147 1.00 0.00 H new ATOM 995 N ARG A 67 -13.555 -7.582 8.634 1.00 0.00 N ATOM 996 CA ARG A 67 -14.838 -7.694 7.945 1.00 0.00 C ATOM 997 C ARG A 67 -15.799 -6.678 8.563 1.00 0.00 C ATOM 998 O ARG A 67 -16.585 -7.006 9.452 1.00 0.00 O ATOM 999 CB ARG A 67 -15.362 -9.144 8.022 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.461 -10.180 7.327 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.603 -10.194 5.796 1.00 0.00 C ATOM 1002 NE ARG A 67 -13.438 -10.786 5.109 1.00 0.00 N ATOM 1003 CZ ARG A 67 -12.911 -12.001 5.307 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -13.523 -12.897 6.077 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -11.753 -12.310 4.732 1.00 0.00 N ATOM 0 H ARG A 67 -13.652 -7.649 9.647 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.735 -7.467 6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.474 -9.422 9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.355 -9.184 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.422 -9.976 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.697 -11.171 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.499 -10.753 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.746 -9.173 5.441 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.984 -10.204 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.408 -12.663 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.107 -13.818 6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.275 -11.625 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.342 -13.232 4.876 1.00 0.00 H new ATOM 1019 N MET A 68 -15.683 -5.431 8.127 1.00 0.00 N ATOM 1020 CA MET A 68 -16.549 -4.281 8.375 1.00 0.00 C ATOM 1021 C MET A 68 -17.136 -3.787 7.042 1.00 0.00 C ATOM 1022 O MET A 68 -16.945 -4.423 5.997 1.00 0.00 O ATOM 1023 CB MET A 68 -15.742 -3.172 9.072 1.00 0.00 C ATOM 1024 CG MET A 68 -15.245 -3.575 10.462 1.00 0.00 C ATOM 1025 SD MET A 68 -14.597 -2.192 11.449 1.00 0.00 S ATOM 1026 CE MET A 68 -13.286 -1.565 10.358 1.00 0.00 C ATOM 0 H MET A 68 -14.899 -5.171 7.528 1.00 0.00 H new ATOM 0 HA MET A 68 -17.373 -4.566 9.029 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.887 -2.907 8.450 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.362 -2.280 9.159 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.064 -4.044 11.007 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.463 -4.327 10.353 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.716 -0.796 10.879 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.622 -2.383 10.080 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.733 -1.139 9.460 1.00 0.00 H new ATOM 1036 N MET A 69 -17.861 -2.667 7.080 1.00 0.00 N ATOM 1037 CA MET A 69 -18.327 -1.860 5.950 1.00 0.00 C ATOM 1038 C MET A 69 -17.468 -0.596 5.862 1.00 0.00 C ATOM 1039 O MET A 69 -16.712 -0.301 6.792 1.00 0.00 O ATOM 1040 CB MET A 69 -19.808 -1.470 6.160 1.00 0.00 C ATOM 1041 CG MET A 69 -20.709 -1.953 5.015 1.00 0.00 C ATOM 1042 SD MET A 69 -22.012 -3.108 5.513 1.00 0.00 S ATOM 1043 CE MET A 69 -20.982 -4.459 6.152 1.00 0.00 C ATOM 0 H MET A 69 -18.161 -2.270 7.970 1.00 0.00 H new ATOM 0 HA MET A 69 -18.241 -2.433 5.027 1.00 0.00 H new ATOM 0 HB2 MET A 69 -20.162 -1.893 7.100 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.886 -0.386 6.248 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.172 -1.086 4.544 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.087 -2.432 4.259 1.00 0.00 H new ATOM 0 HE1 MET A 69 -21.583 -5.364 6.240 1.00 0.00 H new ATOM 0 HE2 MET A 69 -20.153 -4.639 5.468 1.00 0.00 H new ATOM 0 HE3 MET A 69 -20.591 -4.186 7.132 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.643 0.208 4.807 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.975 1.496 4.646 1.00 0.00 C ATOM 1055 C CYS A 70 -17.920 2.504 4.003 1.00 0.00 C ATOM 1056 O CYS A 70 -18.718 2.148 3.133 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.758 1.332 3.738 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.489 0.133 4.274 1.00 0.00 S ATOM 0 H CYS A 70 -18.263 -0.025 4.031 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.670 1.852 5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -16.109 1.037 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.281 2.306 3.629 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.734 3.780 4.335 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.522 4.883 3.810 1.00 0.00 C ATOM 1065 C ALA A 71 -17.981 5.363 2.453 1.00 0.00 C ATOM 1066 O ALA A 71 -17.918 6.571 2.212 1.00 0.00 O ATOM 1067 CB ALA A 71 -18.598 5.992 4.871 1.00 0.00 C ATOM 0 H ALA A 71 -17.013 4.078 4.992 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.540 4.551 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.187 6.824 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.068 5.601 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.592 6.339 5.108 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.498 4.454 1.600 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.358 4.668 0.157 1.00 0.00 C ATOM 1075 C ASN A 72 -17.096 3.318 -0.520 1.00 0.00 C ATOM 1076 O ASN A 72 -16.479 2.454 0.105 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.224 5.664 -0.176 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.672 6.705 -1.201 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.837 7.069 -1.294 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.761 7.199 -2.012 1.00 0.00 N ATOM 0 H ASN A 72 -17.187 3.530 1.900 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.283 5.105 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.901 6.166 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.363 5.119 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.026 7.886 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.790 6.895 -1.934 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.509 3.108 -1.783 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.459 1.791 -2.413 1.00 0.00 C ATOM 1089 C PRO A 73 -16.098 1.464 -3.020 1.00 0.00 C ATOM 1090 O PRO A 73 -15.701 0.305 -3.054 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.504 1.859 -3.519 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.511 3.324 -3.938 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.208 4.059 -2.638 1.00 0.00 C ATOM 0 HA PRO A 73 -17.642 1.011 -1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.244 1.208 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.484 1.543 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.760 3.528 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.475 3.620 -4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.593 4.940 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.126 4.406 -2.164 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.387 2.463 -3.543 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.112 2.253 -4.234 1.00 0.00 C ATOM 1103 C GLN A 74 -13.070 1.625 -3.310 1.00 0.00 C ATOM 1104 O GLN A 74 -12.305 0.753 -3.720 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.600 3.577 -4.798 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.465 3.327 -5.805 1.00 0.00 C ATOM 1107 CD GLN A 74 -11.969 4.629 -6.408 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.747 5.542 -6.650 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -10.684 4.751 -6.669 1.00 0.00 N ATOM 0 H GLN A 74 -15.677 3.440 -3.500 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.283 1.557 -5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.415 4.112 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.242 4.211 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.640 2.816 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.817 2.667 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.046 3.982 -6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.326 5.614 -7.078 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.091 2.044 -2.046 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.292 1.485 -0.971 1.00 0.00 C ATOM 1120 C LEU A 75 -12.527 -0.031 -0.921 1.00 0.00 C ATOM 1121 O LEU A 75 -11.589 -0.810 -0.813 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.705 2.156 0.356 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.671 3.704 0.379 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.265 4.226 1.693 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.264 4.276 0.202 1.00 0.00 C ATOM 0 H LEU A 75 -13.689 2.811 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.230 1.668 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.716 1.832 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.050 1.787 1.145 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.268 4.037 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.236 5.316 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.298 3.890 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.684 3.844 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.308 5.365 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.622 3.920 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.857 3.951 -0.756 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.792 -0.445 -1.044 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.315 -1.813 -0.923 1.00 0.00 C ATOM 1139 C ASN A 76 -14.051 -2.654 -2.181 1.00 0.00 C ATOM 1140 O ASN A 76 -14.544 -3.770 -2.324 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.825 -1.729 -0.609 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.201 -2.547 0.617 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.928 -3.733 0.719 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.879 -1.941 1.581 1.00 0.00 N ATOM 0 H ASN A 76 -14.538 0.220 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.793 -2.321 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.104 -0.688 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.394 -2.083 -1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.172 -2.465 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.108 -0.951 1.498 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.318 -2.089 -3.134 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.750 -2.746 -4.298 1.00 0.00 C ATOM 1153 C GLU A 77 -11.260 -2.989 -4.019 1.00 0.00 C ATOM 1154 O GLU A 77 -10.737 -4.090 -4.209 1.00 0.00 O ATOM 1155 CB GLU A 77 -12.985 -1.810 -5.502 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.581 -2.511 -6.724 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.556 -3.090 -7.701 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -11.334 -3.103 -7.427 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.966 -3.454 -8.827 1.00 0.00 O ATOM 0 H GLU A 77 -13.092 -1.095 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.208 -3.711 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.651 -1.003 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.037 -1.352 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.230 -3.317 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.211 -1.801 -7.260 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.574 -1.964 -3.504 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.170 -2.011 -3.110 1.00 0.00 C ATOM 1168 C LEU A 78 -8.955 -2.965 -1.933 1.00 0.00 C ATOM 1169 O LEU A 78 -7.905 -3.600 -1.846 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.710 -0.591 -2.759 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.560 0.298 -4.008 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.756 1.773 -3.656 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.185 0.080 -4.649 1.00 0.00 C ATOM 0 H LEU A 78 -10.999 -1.050 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.575 -2.393 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.428 -0.137 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.756 -0.639 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.332 0.016 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.645 2.379 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.753 1.919 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.010 2.074 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.090 0.713 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.405 0.336 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.081 -0.965 -4.940 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.961 -3.142 -1.073 1.00 0.00 N ATOM 1186 CA ASP A 79 -10.044 -4.169 -0.026 1.00 0.00 C ATOM 1187 C ASP A 79 -10.028 -5.611 -0.548 1.00 0.00 C ATOM 1188 O ASP A 79 -9.714 -6.525 0.216 1.00 0.00 O ATOM 1189 CB ASP A 79 -11.222 -3.888 0.913 1.00 0.00 C ATOM 1190 CG ASP A 79 -12.090 -5.100 1.260 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.922 -5.444 0.405 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.014 -5.612 2.401 1.00 0.00 O ATOM 0 H ASP A 79 -10.785 -2.541 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.123 -4.093 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.833 -3.464 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.856 -3.128 0.456 1.00 0.00 H new ATOM 1197 N ASN A 80 -10.076 -5.794 -1.866 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.746 -7.047 -2.543 1.00 0.00 C ATOM 1199 C ASN A 80 -8.402 -6.947 -3.270 1.00 0.00 C ATOM 1200 O ASN A 80 -7.635 -7.903 -3.185 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.867 -7.458 -3.513 1.00 0.00 C ATOM 1202 CG ASN A 80 -12.198 -7.711 -2.816 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -12.249 -8.307 -1.742 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -13.310 -7.266 -3.382 1.00 0.00 N ATOM 0 H ASN A 80 -10.353 -5.054 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.655 -7.823 -1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.998 -6.675 -4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.566 -8.360 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.210 -7.418 -2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.266 -6.772 -4.273 1.00 0.00 H new ATOM 1211 N THR A 81 -8.077 -5.820 -3.933 1.00 0.00 N ATOM 1212 CA THR A 81 -6.833 -5.704 -4.703 1.00 0.00 C ATOM 1213 C THR A 81 -5.610 -6.014 -3.842 1.00 0.00 C ATOM 1214 O THR A 81 -4.901 -6.964 -4.156 1.00 0.00 O ATOM 1215 CB THR A 81 -6.636 -4.328 -5.370 1.00 0.00 C ATOM 1216 OG1 THR A 81 -7.811 -3.862 -6.003 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.469 -4.360 -6.385 1.00 0.00 C ATOM 0 H THR A 81 -8.659 -4.983 -3.948 1.00 0.00 H new ATOM 0 HA THR A 81 -6.931 -6.444 -5.498 1.00 0.00 H new ATOM 0 HB THR A 81 -6.392 -3.631 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.639 -2.987 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.355 -3.376 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.547 -4.632 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.682 -5.095 -7.161 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.308 -5.207 -2.817 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.024 -5.316 -2.128 1.00 0.00 C ATOM 1227 C ILE A 82 -3.866 -6.711 -1.513 1.00 0.00 C ATOM 1228 O ILE A 82 -2.782 -7.288 -1.567 1.00 0.00 O ATOM 1229 CB ILE A 82 -3.849 -4.163 -1.101 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.478 -4.151 -0.431 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.825 -4.161 0.078 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.322 -3.909 -1.393 1.00 0.00 C ATOM 0 H ILE A 82 -5.928 -4.483 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.215 -5.202 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.023 -3.302 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.467 -3.377 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.323 -5.104 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.609 -3.313 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.846 -4.081 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.716 -5.087 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.382 -3.915 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.305 -4.696 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.451 -2.943 -1.880 1.00 0.00 H new ATOM 1244 N SER A 83 -4.954 -7.281 -0.999 1.00 0.00 N ATOM 1245 CA SER A 83 -4.985 -8.578 -0.360 1.00 0.00 C ATOM 1246 C SER A 83 -4.488 -9.651 -1.324 1.00 0.00 C ATOM 1247 O SER A 83 -3.695 -10.523 -0.954 1.00 0.00 O ATOM 1248 CB SER A 83 -6.446 -8.885 0.022 1.00 0.00 C ATOM 1249 OG SER A 83 -6.827 -8.263 1.233 1.00 0.00 O ATOM 0 H SER A 83 -5.868 -6.828 -1.021 1.00 0.00 H new ATOM 0 HA SER A 83 -4.344 -8.572 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.106 -8.551 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.576 -9.963 0.114 1.00 0.00 H new ATOM 0 HG SER A 83 -7.760 -8.484 1.435 1.00 0.00 H new ATOM 1255 N GLU A 84 -5.001 -9.604 -2.548 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.741 -10.543 -3.615 1.00 0.00 C ATOM 1257 C GLU A 84 -3.365 -10.279 -4.234 1.00 0.00 C ATOM 1258 O GLU A 84 -2.614 -11.227 -4.475 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.911 -10.386 -4.593 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.970 -11.426 -5.710 1.00 0.00 C ATOM 1261 CD GLU A 84 -7.349 -11.379 -6.371 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -7.734 -10.323 -6.922 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -8.083 -12.386 -6.306 1.00 0.00 O ATOM 0 H GLU A 84 -5.645 -8.865 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.691 -11.577 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.843 -10.429 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.856 -9.395 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.193 -11.228 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.781 -12.421 -5.307 1.00 0.00 H new ATOM 1270 N MET A 85 -3.005 -9.006 -4.430 1.00 0.00 N ATOM 1271 CA MET A 85 -1.763 -8.603 -5.072 1.00 0.00 C ATOM 1272 C MET A 85 -0.605 -9.004 -4.180 1.00 0.00 C ATOM 1273 O MET A 85 0.419 -9.470 -4.671 1.00 0.00 O ATOM 1274 CB MET A 85 -1.753 -7.093 -5.382 1.00 0.00 C ATOM 1275 CG MET A 85 -1.091 -6.101 -4.450 1.00 0.00 C ATOM 1276 SD MET A 85 -1.145 -4.354 -4.984 1.00 0.00 S ATOM 1277 CE MET A 85 -0.319 -4.366 -6.621 1.00 0.00 C ATOM 0 H MET A 85 -3.583 -8.218 -4.139 1.00 0.00 H new ATOM 0 HA MET A 85 -1.667 -9.110 -6.032 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.284 -6.973 -6.359 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.793 -6.784 -5.488 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.565 -6.177 -3.472 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.048 -6.391 -4.322 1.00 0.00 H new ATOM 0 HE1 MET A 85 0.033 -3.362 -6.858 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.528 -5.051 -6.596 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.027 -4.692 -7.383 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.743 -8.837 -2.858 1.00 0.00 N ATOM 1288 CA LEU A 86 0.419 -9.031 -2.017 1.00 0.00 C ATOM 1289 C LEU A 86 0.807 -10.496 -1.925 1.00 0.00 C ATOM 1290 O LEU A 86 1.967 -10.822 -1.682 1.00 0.00 O ATOM 1291 CB LEU A 86 0.232 -8.586 -0.584 1.00 0.00 C ATOM 1292 CG LEU A 86 0.849 -7.196 -0.415 1.00 0.00 C ATOM 1293 CD1 LEU A 86 -0.080 -6.486 0.479 1.00 0.00 C ATOM 1294 CD2 LEU A 86 2.237 -7.175 0.221 1.00 0.00 C ATOM 0 H LEU A 86 -1.606 -8.581 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 86 1.181 -8.421 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.828 -8.562 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.705 -9.294 0.096 1.00 0.00 H new ATOM 0 HG LEU A 86 0.984 -6.751 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.286 -5.475 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.066 -6.439 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.149 -7.018 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.587 -6.145 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.188 -7.616 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.929 -7.749 -0.396 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.207 -11.357 -2.006 1.00 0.00 N ATOM 1307 CA LYS A 87 -0.060 -12.799 -1.984 1.00 0.00 C ATOM 1308 C LYS A 87 0.894 -13.188 -3.104 1.00 0.00 C ATOM 1309 O LYS A 87 1.879 -13.887 -2.864 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.459 -13.437 -2.149 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.722 -14.533 -1.116 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.983 -13.982 0.298 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.467 -13.966 0.703 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.311 -13.110 -0.155 1.00 0.00 N ATOM 0 H LYS A 87 -1.178 -11.055 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 87 0.356 -13.157 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.222 -12.664 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.549 -13.856 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.581 -15.124 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.866 -15.207 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.428 -14.583 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.590 -12.967 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.853 -14.985 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.549 -13.623 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.225 -12.943 0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.833 -12.200 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.470 -13.583 -1.068 1.00 0.00 H new ATOM 1328 N GLU A 88 0.613 -12.668 -4.298 1.00 0.00 N ATOM 1329 CA GLU A 88 1.463 -12.839 -5.454 1.00 0.00 C ATOM 1330 C GLU A 88 2.784 -12.087 -5.325 1.00 0.00 C ATOM 1331 O GLU A 88 3.750 -12.534 -5.945 1.00 0.00 O ATOM 1332 CB GLU A 88 0.731 -12.377 -6.715 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.383 -13.346 -7.118 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.799 -13.137 -8.575 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.074 -13.260 -9.469 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -2.008 -12.925 -8.830 1.00 0.00 O ATOM 0 H GLU A 88 -0.222 -12.112 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 88 1.697 -13.901 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.307 -11.387 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.444 -12.283 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.044 -14.372 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.246 -13.203 -6.467 1.00 0.00 H new ATOM 1343 N GLY A 89 2.871 -10.991 -4.555 1.00 0.00 N ATOM 1344 CA GLY A 89 4.082 -10.193 -4.586 1.00 0.00 C ATOM 1345 C GLY A 89 3.917 -9.076 -5.572 1.00 0.00 C ATOM 1346 O GLY A 89 3.976 -9.284 -6.782 1.00 0.00 O ATOM 0 H GLY A 89 2.140 -10.655 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.291 -9.790 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.933 -10.815 -4.863 1.00 0.00 H new ATOM 1350 N ALA A 90 3.702 -7.889 -5.030 1.00 0.00 N ATOM 1351 CA ALA A 90 3.667 -6.701 -5.851 1.00 0.00 C ATOM 1352 C ALA A 90 5.092 -6.269 -6.141 1.00 0.00 C ATOM 1353 O ALA A 90 5.906 -6.223 -5.217 1.00 0.00 O ATOM 1354 CB ALA A 90 2.880 -5.608 -5.143 1.00 0.00 C ATOM 0 H ALA A 90 3.551 -7.728 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 90 3.166 -6.904 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.857 -4.714 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.861 -5.952 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.357 -5.374 -4.191 1.00 0.00 H new ATOM 1360 N GLN A 91 5.379 -5.905 -7.386 1.00 0.00 N ATOM 1361 CA GLN A 91 6.576 -5.156 -7.705 1.00 0.00 C ATOM 1362 C GLN A 91 6.415 -3.794 -7.041 1.00 0.00 C ATOM 1363 O GLN A 91 5.318 -3.231 -7.062 1.00 0.00 O ATOM 1364 CB GLN A 91 6.692 -5.004 -9.223 1.00 0.00 C ATOM 1365 CG GLN A 91 6.852 -6.344 -9.954 1.00 0.00 C ATOM 1366 CD GLN A 91 8.157 -7.066 -9.608 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.238 -6.600 -9.952 1.00 0.00 O ATOM 1368 NE2 GLN A 91 8.104 -8.225 -8.973 1.00 0.00 N ATOM 0 H GLN A 91 4.791 -6.121 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 91 7.477 -5.657 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.804 -4.496 -9.600 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.546 -4.367 -9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.010 -6.990 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.814 -6.171 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.203 -8.610 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.964 -8.734 -8.768 1.00 0.00 H new ATOM 1377 N VAL A 92 7.484 -3.282 -6.447 1.00 0.00 N ATOM 1378 CA VAL A 92 7.539 -2.020 -5.745 1.00 0.00 C ATOM 1379 C VAL A 92 8.763 -1.308 -6.276 1.00 0.00 C ATOM 1380 O VAL A 92 9.880 -1.787 -6.104 1.00 0.00 O ATOM 1381 CB VAL A 92 7.627 -2.257 -4.221 1.00 0.00 C ATOM 1382 CG1 VAL A 92 7.833 -0.940 -3.446 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.356 -2.905 -3.677 1.00 0.00 C ATOM 0 H VAL A 92 8.381 -3.767 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 92 6.644 -1.419 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 92 8.482 -2.917 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.890 -1.151 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.759 -0.467 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.996 -0.269 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.456 -3.056 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.503 -2.256 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.200 -3.867 -4.165 1.00 0.00 H new ATOM 1393 N ASP A 93 8.560 -0.136 -6.866 1.00 0.00 N ATOM 1394 CA ASP A 93 9.650 0.739 -7.238 1.00 0.00 C ATOM 1395 C ASP A 93 9.287 2.156 -6.861 1.00 0.00 C ATOM 1396 O ASP A 93 8.570 2.867 -7.565 1.00 0.00 O ATOM 1397 CB ASP A 93 10.040 0.571 -8.704 1.00 0.00 C ATOM 1398 CG ASP A 93 11.403 -0.111 -8.742 1.00 0.00 C ATOM 1399 OD1 ASP A 93 12.398 0.561 -8.386 1.00 0.00 O ATOM 1400 OD2 ASP A 93 11.483 -1.319 -9.060 1.00 0.00 O ATOM 0 H ASP A 93 7.636 0.228 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 93 10.549 0.467 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.297 -0.027 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.082 1.539 -9.203 1.00 0.00 H new ATOM 1405 N LEU A 94 9.737 2.550 -5.675 1.00 0.00 N ATOM 1406 CA LEU A 94 9.755 3.937 -5.267 1.00 0.00 C ATOM 1407 C LEU A 94 10.747 4.645 -6.174 1.00 0.00 C ATOM 1408 O LEU A 94 11.952 4.394 -6.132 1.00 0.00 O ATOM 1409 CB LEU A 94 10.092 4.026 -3.781 1.00 0.00 C ATOM 1410 CG LEU A 94 9.904 5.362 -3.045 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.231 6.065 -2.757 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.863 6.297 -3.653 1.00 0.00 C ATOM 0 H LEU A 94 10.100 1.908 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 94 8.787 4.426 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.490 3.279 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.135 3.731 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 94 9.475 5.078 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.040 7.003 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.854 5.424 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.746 6.269 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.805 7.211 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.149 6.544 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.890 5.805 -3.657 1.00 0.00 H new ATOM 1424 N THR A 95 10.193 5.457 -7.051 1.00 0.00 N ATOM 1425 CA THR A 95 10.886 6.424 -7.885 1.00 0.00 C ATOM 1426 C THR A 95 11.359 7.559 -6.955 1.00 0.00 C ATOM 1427 O THR A 95 11.084 7.511 -5.755 1.00 0.00 O ATOM 1428 CB THR A 95 9.912 6.912 -8.983 1.00 0.00 C ATOM 1429 OG1 THR A 95 8.931 5.951 -9.327 1.00 0.00 O ATOM 1430 CG2 THR A 95 10.648 7.265 -10.276 1.00 0.00 C ATOM 0 H THR A 95 9.186 5.461 -7.212 1.00 0.00 H new ATOM 0 HA THR A 95 11.755 6.005 -8.393 1.00 0.00 H new ATOM 0 HB THR A 95 9.432 7.789 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.216 5.959 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.930 7.603 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.368 8.059 -10.079 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.171 6.384 -10.649 1.00 0.00 H new ATOM 1438 N ALA A 96 12.003 8.611 -7.468 1.00 0.00 N ATOM 1439 CA ALA A 96 12.498 9.728 -6.657 1.00 0.00 C ATOM 1440 C ALA A 96 11.494 10.244 -5.606 1.00 0.00 C ATOM 1441 O ALA A 96 11.915 10.641 -4.519 1.00 0.00 O ATOM 1442 CB ALA A 96 12.957 10.867 -7.573 1.00 0.00 C ATOM 0 H ALA A 96 12.197 8.713 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 96 13.340 9.341 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.324 11.695 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.756 10.511 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.118 11.206 -8.181 1.00 0.00 H new ATOM 1448 N ASN A 97 10.181 10.230 -5.881 1.00 0.00 N ATOM 1449 CA ASN A 97 9.152 10.516 -4.871 1.00 0.00 C ATOM 1450 C ASN A 97 7.798 9.831 -5.129 1.00 0.00 C ATOM 1451 O ASN A 97 6.773 10.281 -4.608 1.00 0.00 O ATOM 1452 CB ASN A 97 9.004 12.036 -4.687 1.00 0.00 C ATOM 1453 CG ASN A 97 8.801 12.789 -5.991 1.00 0.00 C ATOM 1454 OD1 ASN A 97 7.793 12.659 -6.682 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.749 13.638 -6.347 1.00 0.00 N ATOM 0 H ASN A 97 9.804 10.021 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 97 9.502 10.074 -3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.159 12.233 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.894 12.422 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.646 14.189 -7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.584 13.742 -5.770 1.00 0.00 H new ATOM 1462 N GLN A 98 7.750 8.737 -5.899 1.00 0.00 N ATOM 1463 CA GLN A 98 6.481 8.098 -6.258 1.00 0.00 C ATOM 1464 C GLN A 98 6.608 6.574 -6.251 1.00 0.00 C ATOM 1465 O GLN A 98 7.440 6.021 -6.968 1.00 0.00 O ATOM 1466 CB GLN A 98 6.030 8.654 -7.616 1.00 0.00 C ATOM 1467 CG GLN A 98 4.509 8.613 -7.822 1.00 0.00 C ATOM 1468 CD GLN A 98 4.014 9.912 -8.455 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.303 10.691 -7.825 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.387 10.200 -9.689 1.00 0.00 N ATOM 0 H GLN A 98 8.575 8.277 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 98 5.716 8.329 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.373 9.684 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.511 8.084 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.246 7.769 -8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.012 8.457 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.977 9.550 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.085 11.072 -10.123 1.00 0.00 H new ATOM 1479 N LEU A 99 5.825 5.907 -5.401 1.00 0.00 N ATOM 1480 CA LEU A 99 5.732 4.461 -5.246 1.00 0.00 C ATOM 1481 C LEU A 99 5.035 3.885 -6.479 1.00 0.00 C ATOM 1482 O LEU A 99 3.822 4.060 -6.645 1.00 0.00 O ATOM 1483 CB LEU A 99 4.940 4.133 -3.961 1.00 0.00 C ATOM 1484 CG LEU A 99 5.351 2.870 -3.189 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.824 2.823 -2.803 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.502 2.762 -1.915 1.00 0.00 C ATOM 0 H LEU A 99 5.200 6.398 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 99 6.724 4.019 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.023 4.984 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.887 4.039 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 99 5.181 2.032 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.029 1.899 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.437 2.860 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.061 3.676 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.788 1.868 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.666 3.642 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.448 2.700 -2.185 1.00 0.00 H new ATOM 1498 N THR A 100 5.789 3.215 -7.342 1.00 0.00 N ATOM 1499 CA THR A 100 5.234 2.487 -8.473 1.00 0.00 C ATOM 1500 C THR A 100 4.918 1.085 -7.957 1.00 0.00 C ATOM 1501 O THR A 100 5.834 0.396 -7.507 1.00 0.00 O ATOM 1502 CB THR A 100 6.258 2.436 -9.627 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.928 3.675 -9.763 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.590 2.110 -10.964 1.00 0.00 C ATOM 0 H THR A 100 6.805 3.162 -7.276 1.00 0.00 H new ATOM 0 HA THR A 100 4.339 2.969 -8.866 1.00 0.00 H new ATOM 0 HB THR A 100 6.968 1.648 -9.375 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.630 3.743 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.344 2.083 -11.751 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.100 1.139 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.850 2.875 -11.197 1.00 0.00 H new ATOM 1512 N LEU A 101 3.650 0.669 -7.958 1.00 0.00 N ATOM 1513 CA LEU A 101 3.257 -0.707 -7.660 1.00 0.00 C ATOM 1514 C LEU A 101 2.756 -1.359 -8.933 1.00 0.00 C ATOM 1515 O LEU A 101 2.086 -0.690 -9.716 1.00 0.00 O ATOM 1516 CB LEU A 101 2.130 -0.708 -6.617 1.00 0.00 C ATOM 1517 CG LEU A 101 2.591 -0.843 -5.162 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.808 -2.289 -4.745 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.823 -0.018 -4.820 1.00 0.00 C ATOM 0 H LEU A 101 2.863 1.283 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 101 4.113 -1.256 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.562 0.217 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.447 -1.527 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 101 1.760 -0.434 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.134 -2.323 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.875 -2.842 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.571 -2.740 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.083 -0.170 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.656 -0.330 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.613 1.038 -4.992 1.00 0.00 H new ATOM 1531 N ALA A 102 2.965 -2.665 -9.085 1.00 0.00 N ATOM 1532 CA ALA A 102 2.306 -3.485 -10.096 1.00 0.00 C ATOM 1533 C ALA A 102 2.135 -4.912 -9.570 1.00 0.00 C ATOM 1534 O ALA A 102 2.823 -5.326 -8.640 1.00 0.00 O ATOM 1535 CB ALA A 102 3.142 -3.498 -11.380 1.00 0.00 C ATOM 0 H ALA A 102 3.610 -3.192 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 102 1.325 -3.065 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.645 -4.112 -12.131 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.248 -2.480 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.128 -3.911 -11.168 1.00 0.00 H new ATOM 1541 N THR A 103 1.232 -5.658 -10.194 1.00 0.00 N ATOM 1542 CA THR A 103 1.130 -7.117 -10.207 1.00 0.00 C ATOM 1543 C THR A 103 0.560 -7.523 -11.569 1.00 0.00 C ATOM 1544 O THR A 103 0.095 -6.664 -12.324 1.00 0.00 O ATOM 1545 CB THR A 103 0.173 -7.609 -9.102 1.00 0.00 C ATOM 1546 OG1 THR A 103 -0.914 -6.706 -8.967 1.00 0.00 O ATOM 1547 CG2 THR A 103 0.870 -7.837 -7.767 1.00 0.00 C ATOM 0 H THR A 103 0.492 -5.227 -10.749 1.00 0.00 H new ATOM 0 HA THR A 103 2.112 -7.557 -10.032 1.00 0.00 H new ATOM 0 HB THR A 103 -0.205 -8.584 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.559 -7.065 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.143 -8.182 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.650 -8.589 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.316 -6.903 -7.425 1.00 0.00 H new ATOM 1555 N ALA A 104 0.435 -8.829 -11.822 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.420 -9.337 -12.887 1.00 0.00 C ATOM 1557 C ALA A 104 -1.872 -8.862 -12.752 1.00 0.00 C ATOM 1558 O ALA A 104 -2.571 -8.792 -13.766 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.369 -10.869 -12.900 1.00 0.00 C ATOM 0 H ALA A 104 0.921 -9.555 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.040 -8.941 -13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.009 -11.248 -13.697 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.656 -11.197 -13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.718 -11.253 -11.941 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.327 -8.525 -11.539 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.614 -7.882 -11.314 1.00 0.00 C ATOM 1567 C LYS A 105 -3.553 -6.440 -11.808 1.00 0.00 C ATOM 1568 O LYS A 105 -4.036 -6.162 -12.904 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.019 -7.998 -9.830 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.701 -9.339 -9.540 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.199 -9.256 -9.858 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.786 -10.664 -9.858 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.226 -10.661 -9.554 1.00 0.00 N ATOM 0 H LYS A 105 -1.802 -8.696 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.394 -8.387 -11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.135 -7.894 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.693 -7.182 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.239 -10.126 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.559 -9.608 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.707 -8.636 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.352 -8.784 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.622 -11.125 -10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.262 -11.275 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.656 -11.542 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.364 -10.590 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.678 -9.848 -10.020 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.022 -5.522 -10.998 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.089 -4.094 -11.292 1.00 0.00 C ATOM 1589 C GLN A 106 -1.978 -3.297 -10.601 1.00 0.00 C ATOM 1590 O GLN A 106 -1.191 -3.837 -9.816 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.500 -3.520 -11.063 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.135 -3.775 -9.718 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.603 -3.330 -9.752 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.384 -3.736 -10.605 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.001 -2.454 -8.851 1.00 0.00 N ATOM 0 H GLN A 106 -2.538 -5.747 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.896 -3.980 -12.359 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.456 -2.442 -11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.159 -3.925 -11.831 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.071 -4.834 -9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.597 -3.231 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.348 -2.118 -8.143 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.962 -2.112 -8.862 1.00 0.00 H new ATOM 1604 N THR A 107 -1.946 -1.994 -10.890 1.00 0.00 N ATOM 1605 CA THR A 107 -0.890 -1.038 -10.585 1.00 0.00 C ATOM 1606 C THR A 107 -1.470 0.078 -9.717 1.00 0.00 C ATOM 1607 O THR A 107 -2.564 0.574 -9.992 1.00 0.00 O ATOM 1608 CB THR A 107 -0.253 -0.543 -11.911 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.529 0.618 -11.764 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.260 -0.181 -12.999 1.00 0.00 C ATOM 0 H THR A 107 -2.721 -1.550 -11.382 1.00 0.00 H new ATOM 0 HA THR A 107 -0.084 -1.494 -10.010 1.00 0.00 H new ATOM 0 HB THR A 107 0.346 -1.408 -12.197 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.208 0.470 -11.073 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.729 0.154 -13.890 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.862 -1.056 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.910 0.618 -12.642 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.773 0.477 -8.652 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.187 1.577 -7.782 1.00 0.00 C ATOM 1620 C LEU A 108 -0.125 2.665 -7.868 1.00 0.00 C ATOM 1621 O LEU A 108 1.046 2.372 -8.135 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.370 1.125 -6.322 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.417 0.039 -6.012 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.802 0.346 -6.585 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -1.971 -1.363 -6.436 1.00 0.00 C ATOM 0 H LEU A 108 0.104 0.041 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.155 1.950 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.405 0.767 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.622 2.006 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.501 0.052 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.489 -0.461 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.170 1.283 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.736 0.435 -7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.752 -2.083 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.789 -1.377 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.054 -1.628 -5.909 1.00 0.00 H new ATOM 1637 N THR A 109 -0.528 3.911 -7.670 1.00 0.00 N ATOM 1638 CA THR A 109 0.334 5.081 -7.703 1.00 0.00 C ATOM 1639 C THR A 109 0.200 5.661 -6.308 1.00 0.00 C ATOM 1640 O THR A 109 -0.880 6.146 -5.951 1.00 0.00 O ATOM 1641 CB THR A 109 -0.102 6.097 -8.789 1.00 0.00 C ATOM 1642 OG1 THR A 109 -1.140 5.612 -9.622 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.065 6.469 -9.702 1.00 0.00 C ATOM 0 H THR A 109 -1.502 4.143 -7.475 1.00 0.00 H new ATOM 0 HA THR A 109 1.363 4.832 -7.961 1.00 0.00 H new ATOM 0 HB THR A 109 -0.461 6.963 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.960 5.507 -9.095 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.726 7.183 -10.453 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.862 6.917 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.440 5.573 -10.197 1.00 0.00 H new ATOM 1651 N TYR A 110 1.245 5.521 -5.493 1.00 0.00 N ATOM 1652 CA TYR A 110 1.254 6.164 -4.197 1.00 0.00 C ATOM 1653 C TYR A 110 2.285 7.269 -4.213 1.00 0.00 C ATOM 1654 O TYR A 110 3.420 7.077 -4.652 1.00 0.00 O ATOM 1655 CB TYR A 110 1.539 5.209 -3.050 1.00 0.00 C ATOM 1656 CG TYR A 110 0.647 4.003 -2.896 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.924 2.811 -3.586 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.414 4.052 -1.979 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.166 1.663 -3.309 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -1.194 2.916 -1.734 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.876 1.696 -2.364 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.540 0.551 -2.053 1.00 0.00 O ATOM 0 H TYR A 110 2.079 4.976 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 110 0.254 6.560 -4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.564 4.855 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.494 5.779 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.713 2.778 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.630 4.973 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.385 0.742 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.038 2.974 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.054 0.684 -1.229 1.00 0.00 H new ATOM 1672 N LYS A 111 1.904 8.428 -3.705 1.00 0.00 N ATOM 1673 CA LYS A 111 2.768 9.593 -3.680 1.00 0.00 C ATOM 1674 C LYS A 111 3.474 9.631 -2.341 1.00 0.00 C ATOM 1675 O LYS A 111 2.858 9.306 -1.325 1.00 0.00 O ATOM 1676 CB LYS A 111 1.876 10.812 -3.860 1.00 0.00 C ATOM 1677 CG LYS A 111 2.526 11.973 -4.603 1.00 0.00 C ATOM 1678 CD LYS A 111 3.417 12.833 -3.715 1.00 0.00 C ATOM 1679 CE LYS A 111 3.288 14.264 -4.217 1.00 0.00 C ATOM 1680 NZ LYS A 111 4.230 15.184 -3.561 1.00 0.00 N ATOM 0 H LYS A 111 0.983 8.587 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 111 3.521 9.568 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.977 10.511 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.557 11.160 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.119 11.580 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.747 12.598 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.109 12.760 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.453 12.497 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.458 14.284 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.269 14.613 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.099 16.144 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.053 15.189 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.205 14.870 -3.742 1.00 0.00 H new ATOM 1694 N LEU A 112 4.738 10.041 -2.332 1.00 0.00 N ATOM 1695 CA LEU A 112 5.469 10.349 -1.114 1.00 0.00 C ATOM 1696 C LEU A 112 4.817 11.578 -0.484 1.00 0.00 C ATOM 1697 O LEU A 112 4.936 12.686 -1.013 1.00 0.00 O ATOM 1698 CB LEU A 112 6.942 10.586 -1.474 1.00 0.00 C ATOM 1699 CG LEU A 112 7.852 10.929 -0.285 1.00 0.00 C ATOM 1700 CD1 LEU A 112 7.862 9.834 0.783 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.275 11.119 -0.823 1.00 0.00 C ATOM 0 H LEU A 112 5.288 10.169 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 112 5.436 9.532 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.330 9.692 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.997 11.397 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 112 7.472 11.834 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.521 10.128 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.852 9.690 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.221 8.902 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.946 11.364 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.609 10.198 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.283 11.930 -1.551 1.00 0.00 H new ATOM 1713 N ALA A 113 4.067 11.392 0.599 1.00 0.00 N ATOM 1714 CA ALA A 113 3.427 12.479 1.323 1.00 0.00 C ATOM 1715 C ALA A 113 3.609 12.196 2.801 1.00 0.00 C ATOM 1716 O ALA A 113 2.889 11.395 3.393 1.00 0.00 O ATOM 1717 CB ALA A 113 1.958 12.644 0.926 1.00 0.00 C ATOM 0 H ALA A 113 3.887 10.472 1.000 1.00 0.00 H new ATOM 0 HA ALA A 113 3.889 13.434 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.519 13.466 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.891 12.859 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.416 11.724 1.145 1.00 0.00 H new ATOM 1723 N ASP A 114 4.604 12.834 3.399 1.00 0.00 N ATOM 1724 CA ASP A 114 5.060 12.508 4.744 1.00 0.00 C ATOM 1725 C ASP A 114 4.434 13.424 5.772 1.00 0.00 C ATOM 1726 O ASP A 114 5.056 13.919 6.717 1.00 0.00 O ATOM 1727 CB ASP A 114 6.566 12.459 4.749 1.00 0.00 C ATOM 1728 CG ASP A 114 7.165 11.866 6.016 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.555 10.963 6.629 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.294 12.294 6.360 1.00 0.00 O ATOM 0 H ASP A 114 5.122 13.597 2.963 1.00 0.00 H new ATOM 0 HA ASP A 114 4.721 11.516 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.902 11.874 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.952 13.470 4.616 1.00 0.00 H new ATOM 1735 N LEU A 115 3.132 13.588 5.560 1.00 0.00 N ATOM 1736 CA LEU A 115 2.188 14.438 6.261 1.00 0.00 C ATOM 1737 C LEU A 115 1.914 13.916 7.669 1.00 0.00 C ATOM 1738 O LEU A 115 0.979 14.380 8.324 1.00 0.00 O ATOM 1739 CB LEU A 115 0.866 14.498 5.464 1.00 0.00 C ATOM 1740 CG LEU A 115 1.019 14.630 3.937 1.00 0.00 C ATOM 1741 CD1 LEU A 115 -0.357 14.691 3.268 1.00 0.00 C ATOM 1742 CD2 LEU A 115 1.877 15.834 3.548 1.00 0.00 C ATOM 0 H LEU A 115 2.668 13.072 4.813 1.00 0.00 H new ATOM 0 HA LEU A 115 2.619 15.435 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.292 13.597 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.281 15.343 5.828 1.00 0.00 H new ATOM 0 HG LEU A 115 1.541 13.743 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.233 14.784 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.911 13.780 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.907 15.553 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.958 15.888 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.414 16.747 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.872 15.727 3.981 1.00 0.00 H new ATOM 1754 N MET A 116 2.679 12.906 8.099 1.00 0.00 N ATOM 1755 CA MET A 116 2.315 11.986 9.165 1.00 0.00 C ATOM 1756 C MET A 116 1.936 12.689 10.470 1.00 0.00 C ATOM 1757 O MET A 116 1.045 12.203 11.170 1.00 0.00 O ATOM 1758 CB MET A 116 3.440 10.950 9.356 1.00 0.00 C ATOM 1759 CG MET A 116 4.764 11.495 9.913 1.00 0.00 C ATOM 1760 SD MET A 116 4.830 11.643 11.720 1.00 0.00 S ATOM 1761 CE MET A 116 6.368 12.585 11.870 1.00 0.00 C ATOM 0 H MET A 116 3.595 12.706 7.698 1.00 0.00 H new ATOM 0 HA MET A 116 1.406 11.465 8.862 1.00 0.00 H new ATOM 0 HB2 MET A 116 3.080 10.170 10.026 1.00 0.00 H new ATOM 0 HB3 MET A 116 3.640 10.477 8.394 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.574 10.843 9.587 1.00 0.00 H new ATOM 0 HG3 MET A 116 4.949 12.476 9.476 1.00 0.00 H new ATOM 0 HE1 MET A 116 6.549 12.821 12.919 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.197 11.993 11.483 1.00 0.00 H new ATOM 0 HE3 MET A 116 6.285 13.510 11.299 1.00 0.00 H new ATOM 1771 N ASN A 117 2.589 13.812 10.778 1.00 0.00 N ATOM 1772 CA ASN A 117 2.495 14.512 12.048 1.00 0.00 C ATOM 1773 C ASN A 117 1.129 15.182 12.194 1.00 0.00 C ATOM 1774 O ASN A 117 0.983 16.387 11.950 1.00 0.00 O ATOM 1775 CB ASN A 117 3.662 15.508 12.143 1.00 0.00 C ATOM 1776 CG ASN A 117 3.702 16.277 13.456 1.00 0.00 C ATOM 1777 OD1 ASN A 117 2.938 16.025 14.389 1.00 0.00 O ATOM 1778 ND2 ASN A 117 4.611 17.225 13.548 1.00 0.00 N ATOM 0 H ASN A 117 3.220 14.271 10.121 1.00 0.00 H new ATOM 0 HA ASN A 117 2.576 13.811 12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.601 14.968 12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.591 16.217 11.318 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.694 17.770 14.406 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.232 17.414 12.761 1.00 0.00 H new TER 1785 ASN A 117