USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 107 HIS : no HD1:sc= 0.0034 X(o=0.005,f=-0.39) USER MOD Set 1.2: A 111 ASN : amide:sc= 0.00158 X(o=0.005,f=-0.39) USER MOD Set 2.1: A 109 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 2.2: A 144 MET CE :methyl 151:sc= -0.229 (180deg=-0.555) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.183 K(o=0.49,f=-5.4!) USER MOD Set 3.2: A 62 THR OG1 : rot 2:sc= 0.307 USER MOD Set 4.1: A 5 THR OG1 : rot -156:sc= 0.559 USER MOD Set 4.2: A 8 GLN : amide:sc= 0.618 K(o=1.2,f=0.55) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -67:sc= 0.693 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 26 THR OG1 : rot -79:sc= 0.699 USER MOD Single : A 28 THR OG1 : rot -72:sc= 0.321 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.733) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 36 MET CE :methyl 177:sc= 0 (180deg=-0.0384) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.573 K(o=-0.57,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0831 X(o=-0.083,f=-0.01) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -179:sc= -0.142 (180deg=-0.143) USER MOD Single : A 72 MET CE :methyl -172:sc= -0.756 (180deg=-1.05) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0252 K(o=0.025,f=-2.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 110 THR OG1 : rot 95:sc= 1.32 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 124 MET CE :methyl -164:sc= -0.561 (180deg=-0.892) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 137 ASN : amide:sc= 0.231 K(o=0.23,f=-6.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.51) USER MOD Single : A 145 MET CE :methyl 159:sc= 0 (180deg=-0.368) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.975 15.987 1.420 1.00 0.00 N ATOM 59 CA THR A 5 -12.736 16.998 0.753 1.00 0.00 C ATOM 60 C THR A 5 -13.905 16.401 0.049 1.00 0.00 C ATOM 61 O THR A 5 -13.978 15.211 -0.255 1.00 0.00 O ATOM 62 CB THR A 5 -11.937 17.789 -0.240 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.995 16.954 -0.897 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.002 18.680 0.596 1.00 0.00 C ATOM 0 HA THR A 5 -13.065 17.679 1.538 1.00 0.00 H new ATOM 0 HB THR A 5 -12.621 18.286 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.254 17.499 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.387 19.287 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.597 19.332 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.359 18.053 1.214 1.00 0.00 H new ATOM 72 N GLU A 6 -14.867 17.268 -0.312 1.00 0.00 N ATOM 73 CA GLU A 6 -16.080 16.967 -1.007 1.00 0.00 C ATOM 74 C GLU A 6 -16.031 16.185 -2.275 1.00 0.00 C ATOM 75 O GLU A 6 -16.797 15.235 -2.427 1.00 0.00 O ATOM 76 CB GLU A 6 -16.848 18.285 -1.202 1.00 0.00 C ATOM 77 CG GLU A 6 -18.340 18.175 -0.883 1.00 0.00 C ATOM 78 CD GLU A 6 -19.161 19.425 -1.167 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.759 20.501 -1.684 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.371 19.190 -0.904 1.00 0.00 O ATOM 0 H GLU A 6 -14.788 18.262 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.584 16.250 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.404 19.052 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.729 18.617 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.757 17.348 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.451 17.919 0.171 1.00 0.00 H new ATOM 87 N GLU A 7 -15.122 16.520 -3.208 1.00 0.00 N ATOM 88 CA GLU A 7 -14.835 15.790 -4.403 1.00 0.00 C ATOM 89 C GLU A 7 -14.336 14.395 -4.244 1.00 0.00 C ATOM 90 O GLU A 7 -14.722 13.485 -4.976 1.00 0.00 O ATOM 91 CB GLU A 7 -13.874 16.570 -5.317 1.00 0.00 C ATOM 92 CG GLU A 7 -14.394 17.822 -6.027 1.00 0.00 C ATOM 93 CD GLU A 7 -13.329 18.794 -6.516 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.240 18.869 -5.886 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.589 19.456 -7.556 1.00 0.00 O ATOM 0 H GLU A 7 -14.549 17.359 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.821 15.684 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.012 16.863 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.512 15.882 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.995 17.510 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.060 18.353 -5.347 1.00 0.00 H new ATOM 102 N GLN A 8 -13.589 14.211 -3.140 1.00 0.00 N ATOM 103 CA GLN A 8 -13.133 12.933 -2.688 1.00 0.00 C ATOM 104 C GLN A 8 -14.267 12.060 -2.274 1.00 0.00 C ATOM 105 O GLN A 8 -14.350 10.999 -2.891 1.00 0.00 O ATOM 106 CB GLN A 8 -12.029 13.034 -1.621 1.00 0.00 C ATOM 107 CG GLN A 8 -10.804 13.767 -2.170 1.00 0.00 C ATOM 108 CD GLN A 8 -9.646 13.692 -1.185 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.310 12.568 -0.815 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.118 14.852 -0.709 1.00 0.00 N ATOM 0 H GLN A 8 -13.292 14.981 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.661 12.447 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.411 13.560 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.743 12.035 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.507 13.327 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.055 14.810 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.450 15.748 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.390 14.826 0.005 1.00 0.00 H new ATOM 119 N ILE A 9 -15.198 12.572 -1.449 1.00 0.00 N ATOM 120 CA ILE A 9 -16.482 12.014 -1.159 1.00 0.00 C ATOM 121 C ILE A 9 -17.256 11.666 -2.384 1.00 0.00 C ATOM 122 O ILE A 9 -17.718 10.531 -2.490 1.00 0.00 O ATOM 123 CB ILE A 9 -17.247 12.857 -0.182 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.441 13.087 1.107 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.671 12.311 0.014 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.308 13.759 2.171 1.00 0.00 C ATOM 0 H ILE A 9 -15.038 13.445 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.308 11.059 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.388 13.857 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.067 12.135 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.572 13.709 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.206 12.938 0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.197 12.316 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.620 11.291 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.720 13.913 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.660 14.721 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.163 13.123 2.399 1.00 0.00 H new ATOM 138 N ALA A 10 -17.312 12.584 -3.365 1.00 0.00 N ATOM 139 CA ALA A 10 -17.934 12.301 -4.621 1.00 0.00 C ATOM 140 C ALA A 10 -17.448 11.181 -5.476 1.00 0.00 C ATOM 141 O ALA A 10 -18.315 10.518 -6.043 1.00 0.00 O ATOM 142 CB ALA A 10 -17.983 13.558 -5.506 1.00 0.00 C ATOM 0 H ALA A 10 -16.925 13.525 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.902 11.951 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.461 13.316 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.554 14.337 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.969 13.913 -5.690 1.00 0.00 H new ATOM 148 N GLU A 11 -16.131 10.916 -5.542 1.00 0.00 N ATOM 149 CA GLU A 11 -15.675 9.648 -6.022 1.00 0.00 C ATOM 150 C GLU A 11 -16.055 8.408 -5.288 1.00 0.00 C ATOM 151 O GLU A 11 -16.557 7.407 -5.796 1.00 0.00 O ATOM 152 CB GLU A 11 -14.153 9.618 -6.236 1.00 0.00 C ATOM 153 CG GLU A 11 -13.607 10.808 -7.028 1.00 0.00 C ATOM 154 CD GLU A 11 -12.136 10.561 -7.333 1.00 0.00 C ATOM 155 OE1 GLU A 11 -11.269 10.723 -6.434 1.00 0.00 O ATOM 156 OE2 GLU A 11 -11.883 10.117 -8.485 1.00 0.00 O ATOM 0 H GLU A 11 -15.394 11.566 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.238 9.601 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.661 9.587 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.889 8.698 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.168 10.935 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.724 11.728 -6.456 1.00 0.00 H new ATOM 163 N PHE A 12 -15.939 8.466 -3.949 1.00 0.00 N ATOM 164 CA PHE A 12 -16.233 7.325 -3.139 1.00 0.00 C ATOM 165 C PHE A 12 -17.690 7.018 -3.089 1.00 0.00 C ATOM 166 O PHE A 12 -18.005 5.831 -3.155 1.00 0.00 O ATOM 167 CB PHE A 12 -15.821 7.686 -1.702 1.00 0.00 C ATOM 168 CG PHE A 12 -14.363 7.970 -1.580 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.420 7.151 -2.154 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.944 8.821 -0.585 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.094 7.390 -1.877 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.612 9.073 -0.354 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.640 8.340 -0.993 1.00 0.00 C ATOM 0 H PHE A 12 -15.645 9.294 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.709 6.465 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.386 8.558 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.085 6.865 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.713 6.341 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.684 9.307 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.358 6.789 -2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.327 9.854 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.587 8.500 -0.812 1.00 0.00 H new ATOM 183 N LYS A 13 -18.605 8.004 -3.090 1.00 0.00 N ATOM 184 CA LYS A 13 -20.006 7.889 -3.354 1.00 0.00 C ATOM 185 C LYS A 13 -20.444 7.306 -4.653 1.00 0.00 C ATOM 186 O LYS A 13 -21.342 6.467 -4.700 1.00 0.00 O ATOM 187 CB LYS A 13 -20.647 9.270 -3.137 1.00 0.00 C ATOM 188 CG LYS A 13 -22.092 9.110 -2.661 1.00 0.00 C ATOM 189 CD LYS A 13 -22.767 10.417 -2.242 1.00 0.00 C ATOM 190 CE LYS A 13 -23.222 11.421 -3.303 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.761 12.672 -2.723 1.00 0.00 N ATOM 0 H LYS A 13 -18.338 8.967 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.352 7.132 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.074 9.834 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.623 9.841 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.676 8.653 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.110 8.419 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.643 10.153 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.078 10.938 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.380 11.661 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.985 10.959 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.053 13.312 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.582 12.451 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.027 13.132 -2.148 1.00 0.00 H new ATOM 205 N GLU A 14 -19.787 7.765 -5.733 1.00 0.00 N ATOM 206 CA GLU A 14 -20.036 7.292 -7.059 1.00 0.00 C ATOM 207 C GLU A 14 -19.599 5.883 -7.269 1.00 0.00 C ATOM 208 O GLU A 14 -20.266 5.077 -7.915 1.00 0.00 O ATOM 209 CB GLU A 14 -19.254 8.216 -8.007 1.00 0.00 C ATOM 210 CG GLU A 14 -19.682 8.018 -9.463 1.00 0.00 C ATOM 211 CD GLU A 14 -18.651 8.697 -10.353 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.601 9.956 -10.379 1.00 0.00 O ATOM 213 OE2 GLU A 14 -17.803 7.991 -10.962 1.00 0.00 O ATOM 0 H GLU A 14 -19.064 8.483 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.110 7.307 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.414 9.255 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.186 8.019 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.749 6.956 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.671 8.445 -9.631 1.00 0.00 H new ATOM 220 N ALA A 15 -18.438 5.483 -6.719 1.00 0.00 N ATOM 221 CA ALA A 15 -17.995 4.128 -6.834 1.00 0.00 C ATOM 222 C ALA A 15 -18.784 3.235 -5.941 1.00 0.00 C ATOM 223 O ALA A 15 -19.122 2.117 -6.325 1.00 0.00 O ATOM 224 CB ALA A 15 -16.527 3.828 -6.488 1.00 0.00 C ATOM 0 H ALA A 15 -17.809 6.094 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.131 3.948 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.332 2.764 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.874 4.401 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.333 4.107 -5.452 1.00 0.00 H new ATOM 230 N PHE A 16 -19.135 3.577 -4.688 1.00 0.00 N ATOM 231 CA PHE A 16 -19.960 2.873 -3.757 1.00 0.00 C ATOM 232 C PHE A 16 -21.310 2.592 -4.321 1.00 0.00 C ATOM 233 O PHE A 16 -21.679 1.432 -4.501 1.00 0.00 O ATOM 234 CB PHE A 16 -19.979 3.581 -2.392 1.00 0.00 C ATOM 235 CG PHE A 16 -20.895 3.032 -1.353 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.375 2.049 -0.544 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.140 3.560 -1.103 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.081 1.639 0.562 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.944 3.036 -0.118 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.388 2.054 0.667 1.00 0.00 C ATOM 0 H PHE A 16 -18.798 4.451 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.522 1.892 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -18.966 3.568 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -20.243 4.626 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.419 1.603 -0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -22.491 4.397 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.627 1.016 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -23.958 3.378 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.014 1.581 1.409 1.00 0.00 H new ATOM 250 N SER A 17 -22.052 3.613 -4.788 1.00 0.00 N ATOM 251 CA SER A 17 -23.326 3.398 -5.399 1.00 0.00 C ATOM 252 C SER A 17 -23.381 2.695 -6.712 1.00 0.00 C ATOM 253 O SER A 17 -24.300 2.001 -7.145 1.00 0.00 O ATOM 254 CB SER A 17 -24.256 4.621 -5.473 1.00 0.00 C ATOM 255 OG SER A 17 -23.636 5.611 -6.281 1.00 0.00 O ATOM 0 H SER A 17 -21.767 4.591 -4.742 1.00 0.00 H new ATOM 0 HA SER A 17 -23.697 2.694 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.221 4.338 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.447 5.013 -4.474 1.00 0.00 H new ATOM 0 HG SER A 17 -22.836 5.949 -5.828 1.00 0.00 H new ATOM 261 N LEU A 18 -22.241 2.744 -7.424 1.00 0.00 N ATOM 262 CA LEU A 18 -22.039 1.912 -8.570 1.00 0.00 C ATOM 263 C LEU A 18 -21.874 0.449 -8.346 1.00 0.00 C ATOM 264 O LEU A 18 -22.356 -0.389 -9.108 1.00 0.00 O ATOM 265 CB LEU A 18 -20.825 2.277 -9.441 1.00 0.00 C ATOM 266 CG LEU A 18 -20.857 1.914 -10.935 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.063 2.512 -11.681 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.604 2.389 -11.689 1.00 0.00 C ATOM 0 H LEU A 18 -21.458 3.360 -7.206 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.993 2.118 -9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.674 3.354 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.948 1.801 -9.003 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.918 0.826 -10.931 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.025 2.217 -12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.986 2.144 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -22.033 3.599 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.682 2.105 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.522 3.473 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.719 1.926 -11.252 1.00 0.00 H new ATOM 280 N PHE A 19 -21.318 0.089 -7.176 1.00 0.00 N ATOM 281 CA PHE A 19 -21.034 -1.255 -6.778 1.00 0.00 C ATOM 282 C PHE A 19 -22.248 -1.784 -6.095 1.00 0.00 C ATOM 283 O PHE A 19 -22.490 -2.988 -6.022 1.00 0.00 O ATOM 284 CB PHE A 19 -19.785 -1.312 -5.884 1.00 0.00 C ATOM 285 CG PHE A 19 -18.593 -1.433 -6.770 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.562 -2.407 -7.741 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.548 -0.540 -6.779 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.546 -2.520 -8.660 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.487 -0.595 -7.652 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.518 -1.611 -8.578 1.00 0.00 C ATOM 0 H PHE A 19 -21.052 0.774 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.806 -1.877 -7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.714 -0.414 -5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.842 -2.161 -5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.375 -3.117 -7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.561 0.258 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.555 -3.292 -9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.677 0.118 -7.613 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.696 -1.699 -9.273 1.00 0.00 H new ATOM 300 N ASP A 20 -23.157 -0.929 -5.592 1.00 0.00 N ATOM 301 CA ASP A 20 -24.449 -1.270 -5.084 1.00 0.00 C ATOM 302 C ASP A 20 -25.302 -1.872 -6.147 1.00 0.00 C ATOM 303 O ASP A 20 -25.675 -1.111 -7.039 1.00 0.00 O ATOM 304 CB ASP A 20 -25.188 -0.069 -4.471 1.00 0.00 C ATOM 305 CG ASP A 20 -26.334 -0.469 -3.553 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.767 -1.652 -3.565 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.754 0.458 -2.811 1.00 0.00 O ATOM 0 H ASP A 20 -22.974 0.073 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.272 -1.998 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.477 0.537 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.577 0.557 -5.274 1.00 0.00 H new ATOM 312 N LYS A 21 -25.638 -3.173 -6.085 1.00 0.00 N ATOM 313 CA LYS A 21 -26.356 -3.959 -7.040 1.00 0.00 C ATOM 314 C LYS A 21 -27.794 -3.590 -6.909 1.00 0.00 C ATOM 315 O LYS A 21 -28.433 -3.137 -7.857 1.00 0.00 O ATOM 316 CB LYS A 21 -26.155 -5.441 -6.685 1.00 0.00 C ATOM 317 CG LYS A 21 -26.741 -6.515 -7.605 1.00 0.00 C ATOM 318 CD LYS A 21 -28.200 -6.929 -7.408 1.00 0.00 C ATOM 319 CE LYS A 21 -28.664 -8.311 -7.871 1.00 0.00 C ATOM 320 NZ LYS A 21 -27.937 -9.451 -7.270 1.00 0.00 N ATOM 0 H LYS A 21 -25.376 -3.733 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.013 -3.786 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.082 -5.619 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.570 -5.599 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.631 -6.167 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.126 -7.409 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -28.420 -6.851 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -28.820 -6.190 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.725 -8.416 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.563 -8.367 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.364 -10.343 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.940 -9.420 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.995 -9.392 -6.233 1.00 0.00 H new ATOM 334 N ASP A 22 -28.426 -3.804 -5.742 1.00 0.00 N ATOM 335 CA ASP A 22 -29.840 -3.787 -5.530 1.00 0.00 C ATOM 336 C ASP A 22 -30.356 -2.393 -5.419 1.00 0.00 C ATOM 337 O ASP A 22 -31.371 -2.038 -6.017 1.00 0.00 O ATOM 338 CB ASP A 22 -30.184 -4.616 -4.282 1.00 0.00 C ATOM 339 CG ASP A 22 -29.168 -4.507 -3.154 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.102 -3.472 -2.438 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.525 -5.557 -2.882 1.00 0.00 O ATOM 0 H ASP A 22 -27.910 -4.003 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.330 -4.236 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.158 -4.301 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.277 -5.663 -4.571 1.00 0.00 H new ATOM 346 N GLY A 23 -29.620 -1.539 -4.686 1.00 0.00 N ATOM 347 CA GLY A 23 -29.912 -0.146 -4.547 1.00 0.00 C ATOM 348 C GLY A 23 -30.252 0.308 -3.170 1.00 0.00 C ATOM 349 O GLY A 23 -31.024 1.253 -3.016 1.00 0.00 O ATOM 0 H GLY A 23 -28.789 -1.830 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.050 0.424 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.744 0.100 -5.207 1.00 0.00 H new ATOM 353 N ASP A 24 -29.759 -0.374 -2.121 1.00 0.00 N ATOM 354 CA ASP A 24 -30.038 -0.047 -0.757 1.00 0.00 C ATOM 355 C ASP A 24 -29.228 1.020 -0.105 1.00 0.00 C ATOM 356 O ASP A 24 -29.622 1.646 0.878 1.00 0.00 O ATOM 357 CB ASP A 24 -30.271 -1.246 0.179 1.00 0.00 C ATOM 358 CG ASP A 24 -29.006 -2.044 0.460 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.986 -1.962 -0.276 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.963 -2.772 1.487 1.00 0.00 O ATOM 0 H ASP A 24 -29.145 -1.181 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.005 0.433 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.683 -0.887 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.017 -1.905 -0.265 1.00 0.00 H new ATOM 365 N GLY A 25 -28.007 1.271 -0.611 1.00 0.00 N ATOM 366 CA GLY A 25 -27.032 2.127 -0.009 1.00 0.00 C ATOM 367 C GLY A 25 -26.135 1.404 0.936 1.00 0.00 C ATOM 368 O GLY A 25 -25.627 2.051 1.851 1.00 0.00 O ATOM 0 H GLY A 25 -27.684 0.855 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.431 2.591 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.540 2.932 0.523 1.00 0.00 H new ATOM 372 N THR A 26 -26.088 0.061 0.880 1.00 0.00 N ATOM 373 CA THR A 26 -25.144 -0.734 1.602 1.00 0.00 C ATOM 374 C THR A 26 -24.440 -1.570 0.590 1.00 0.00 C ATOM 375 O THR A 26 -24.863 -1.891 -0.520 1.00 0.00 O ATOM 376 CB THR A 26 -25.531 -1.574 2.783 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.294 -2.705 2.389 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.478 -0.787 3.704 1.00 0.00 C ATOM 0 H THR A 26 -26.730 -0.491 0.312 1.00 0.00 H new ATOM 0 HA THR A 26 -24.553 0.016 2.129 1.00 0.00 H new ATOM 0 HB THR A 26 -24.598 -1.861 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.219 -2.432 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.753 -1.406 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.977 0.115 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.376 -0.511 3.152 1.00 0.00 H new ATOM 386 N ILE A 27 -23.211 -2.040 0.869 1.00 0.00 N ATOM 387 CA ILE A 27 -22.513 -3.047 0.132 1.00 0.00 C ATOM 388 C ILE A 27 -22.367 -4.207 1.056 1.00 0.00 C ATOM 389 O ILE A 27 -21.963 -4.069 2.210 1.00 0.00 O ATOM 390 CB ILE A 27 -21.290 -2.667 -0.649 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.120 -2.273 0.269 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.639 -1.581 -1.679 1.00 0.00 C ATOM 393 CD1 ILE A 27 -18.893 -2.128 -0.629 1.00 0.00 C ATOM 0 H ILE A 27 -22.670 -1.693 1.661 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.116 -3.301 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.943 -3.541 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.333 -1.339 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -19.954 -3.032 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.745 -1.312 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.398 -1.960 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.022 -0.700 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.031 -1.848 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.694 -3.076 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.078 -1.356 -1.376 1.00 0.00 H new ATOM 405 N THR A 28 -22.824 -5.385 0.596 1.00 0.00 N ATOM 406 CA THR A 28 -22.721 -6.702 1.142 1.00 0.00 C ATOM 407 C THR A 28 -21.476 -7.423 0.753 1.00 0.00 C ATOM 408 O THR A 28 -20.763 -6.844 -0.065 1.00 0.00 O ATOM 409 CB THR A 28 -23.920 -7.479 0.688 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.051 -7.522 -0.725 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.223 -6.873 1.237 1.00 0.00 C ATOM 0 H THR A 28 -23.338 -5.410 -0.285 1.00 0.00 H new ATOM 0 HA THR A 28 -22.679 -6.609 2.227 1.00 0.00 H new ATOM 0 HB THR A 28 -23.761 -8.487 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.332 -6.643 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.073 -7.460 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.198 -6.882 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.323 -5.846 0.885 1.00 0.00 H new ATOM 419 N THR A 29 -21.234 -8.673 1.188 1.00 0.00 N ATOM 420 CA THR A 29 -20.145 -9.442 0.670 1.00 0.00 C ATOM 421 C THR A 29 -20.140 -9.584 -0.813 1.00 0.00 C ATOM 422 O THR A 29 -19.203 -9.330 -1.569 1.00 0.00 O ATOM 423 CB THR A 29 -20.103 -10.813 1.278 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.400 -11.299 1.587 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.464 -10.715 2.673 1.00 0.00 C ATOM 0 H THR A 29 -21.791 -9.150 1.897 1.00 0.00 H new ATOM 0 HA THR A 29 -19.259 -8.870 0.947 1.00 0.00 H new ATOM 0 HB THR A 29 -19.579 -11.445 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.329 -12.194 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.427 -11.705 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.452 -10.319 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.059 -10.051 3.300 1.00 0.00 H new ATOM 433 N LYS A 30 -21.282 -9.954 -1.420 1.00 0.00 N ATOM 434 CA LYS A 30 -21.588 -10.144 -2.804 1.00 0.00 C ATOM 435 C LYS A 30 -21.444 -8.944 -3.675 1.00 0.00 C ATOM 436 O LYS A 30 -21.314 -9.078 -4.891 1.00 0.00 O ATOM 437 CB LYS A 30 -22.973 -10.801 -2.925 1.00 0.00 C ATOM 438 CG LYS A 30 -23.121 -12.146 -2.212 1.00 0.00 C ATOM 439 CD LYS A 30 -24.429 -12.842 -2.596 1.00 0.00 C ATOM 440 CE LYS A 30 -24.704 -14.171 -1.890 1.00 0.00 C ATOM 441 NZ LYS A 30 -23.696 -15.202 -2.227 1.00 0.00 N ATOM 0 H LYS A 30 -22.107 -10.146 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.820 -10.809 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.719 -10.113 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.200 -10.941 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.278 -12.788 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.092 -11.993 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.256 -12.163 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.424 -13.017 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.713 -14.013 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.695 -14.530 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.718 -15.956 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.911 -15.605 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.750 -14.770 -2.246 1.00 0.00 H new ATOM 455 N GLU A 31 -21.345 -7.726 -3.112 1.00 0.00 N ATOM 456 CA GLU A 31 -21.171 -6.468 -3.769 1.00 0.00 C ATOM 457 C GLU A 31 -19.797 -5.926 -3.572 1.00 0.00 C ATOM 458 O GLU A 31 -19.288 -5.212 -4.434 1.00 0.00 O ATOM 459 CB GLU A 31 -22.179 -5.440 -3.229 1.00 0.00 C ATOM 460 CG GLU A 31 -23.617 -5.878 -3.514 1.00 0.00 C ATOM 461 CD GLU A 31 -24.663 -5.075 -2.753 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.652 -4.969 -1.498 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.483 -4.399 -3.430 1.00 0.00 O ATOM 0 H GLU A 31 -21.392 -7.614 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.334 -6.640 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.039 -5.318 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.994 -4.469 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.810 -5.788 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.724 -6.932 -3.258 1.00 0.00 H new ATOM 470 N LEU A 32 -19.116 -6.181 -2.441 1.00 0.00 N ATOM 471 CA LEU A 32 -17.699 -6.034 -2.316 1.00 0.00 C ATOM 472 C LEU A 32 -17.005 -7.046 -3.162 1.00 0.00 C ATOM 473 O LEU A 32 -15.972 -6.854 -3.801 1.00 0.00 O ATOM 474 CB LEU A 32 -17.236 -6.059 -0.849 1.00 0.00 C ATOM 475 CG LEU A 32 -15.778 -5.570 -0.817 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.754 -4.043 -0.998 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.101 -5.981 0.501 1.00 0.00 C ATOM 0 H LEU A 32 -19.567 -6.501 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.422 -5.047 -2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.869 -5.418 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.312 -7.067 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.220 -6.032 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.723 -3.690 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.206 -3.783 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.316 -3.572 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.070 -5.627 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.640 -5.541 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.112 -7.067 0.592 1.00 0.00 H new ATOM 489 N GLY A 33 -17.582 -8.227 -3.447 1.00 0.00 N ATOM 490 CA GLY A 33 -17.200 -9.225 -4.397 1.00 0.00 C ATOM 491 C GLY A 33 -17.121 -8.596 -5.746 1.00 0.00 C ATOM 492 O GLY A 33 -16.172 -8.949 -6.444 1.00 0.00 O ATOM 0 H GLY A 33 -18.422 -8.514 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.237 -9.657 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.925 -10.039 -4.402 1.00 0.00 H new ATOM 496 N THR A 34 -18.101 -7.759 -6.130 1.00 0.00 N ATOM 497 CA THR A 34 -18.157 -7.063 -7.378 1.00 0.00 C ATOM 498 C THR A 34 -17.012 -6.136 -7.602 1.00 0.00 C ATOM 499 O THR A 34 -16.416 -6.235 -8.673 1.00 0.00 O ATOM 500 CB THR A 34 -19.456 -6.337 -7.567 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.560 -7.119 -7.136 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.639 -5.909 -9.033 1.00 0.00 C ATOM 0 H THR A 34 -18.903 -7.556 -5.533 1.00 0.00 H new ATOM 0 HA THR A 34 -18.083 -7.846 -8.132 1.00 0.00 H new ATOM 0 HB THR A 34 -19.420 -5.441 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.390 -6.616 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.588 -5.385 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.823 -5.247 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.635 -6.791 -9.673 1.00 0.00 H new ATOM 510 N VAL A 35 -16.469 -5.500 -6.548 1.00 0.00 N ATOM 511 CA VAL A 35 -15.286 -4.717 -6.729 1.00 0.00 C ATOM 512 C VAL A 35 -14.174 -5.582 -7.215 1.00 0.00 C ATOM 513 O VAL A 35 -13.533 -5.247 -8.209 1.00 0.00 O ATOM 514 CB VAL A 35 -14.862 -4.052 -5.453 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.646 -3.152 -5.732 1.00 0.00 C ATOM 516 CG2 VAL A 35 -15.998 -3.116 -5.008 1.00 0.00 C ATOM 0 H VAL A 35 -16.836 -5.525 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.514 -3.945 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.629 -4.809 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.333 -2.666 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.826 -3.757 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.915 -2.394 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.717 -2.618 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.178 -2.369 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.906 -3.697 -4.847 1.00 0.00 H new ATOM 526 N MET A 36 -13.873 -6.544 -6.324 1.00 0.00 N ATOM 527 CA MET A 36 -12.708 -7.364 -6.441 1.00 0.00 C ATOM 528 C MET A 36 -12.688 -8.245 -7.643 1.00 0.00 C ATOM 529 O MET A 36 -11.645 -8.546 -8.221 1.00 0.00 O ATOM 530 CB MET A 36 -12.415 -8.124 -5.136 1.00 0.00 C ATOM 531 CG MET A 36 -12.212 -7.246 -3.900 1.00 0.00 C ATOM 532 SD MET A 36 -11.079 -5.845 -4.140 1.00 0.00 S ATOM 533 CE MET A 36 -11.511 -5.214 -2.493 1.00 0.00 C ATOM 0 H MET A 36 -14.448 -6.756 -5.509 1.00 0.00 H new ATOM 0 HA MET A 36 -11.882 -6.673 -6.608 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.239 -8.811 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.521 -8.731 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.181 -6.861 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.833 -7.867 -3.088 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.918 -4.325 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.570 -4.958 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.304 -5.979 -1.745 1.00 0.00 H new ATOM 543 N ARG A 37 -13.883 -8.724 -8.031 1.00 0.00 N ATOM 544 CA ARG A 37 -13.947 -9.656 -9.114 1.00 0.00 C ATOM 545 C ARG A 37 -13.742 -8.983 -10.427 1.00 0.00 C ATOM 546 O ARG A 37 -12.969 -9.413 -11.282 1.00 0.00 O ATOM 547 CB ARG A 37 -15.295 -10.383 -8.970 1.00 0.00 C ATOM 548 CG ARG A 37 -15.490 -11.585 -9.896 1.00 0.00 C ATOM 549 CD ARG A 37 -14.386 -12.636 -10.017 1.00 0.00 C ATOM 550 NE ARG A 37 -14.909 -13.648 -10.978 1.00 0.00 N ATOM 551 CZ ARG A 37 -14.604 -14.969 -10.824 1.00 0.00 C ATOM 552 NH1 ARG A 37 -14.307 -15.476 -9.592 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.488 -15.813 -11.891 1.00 0.00 N ATOM 0 H ARG A 37 -14.779 -8.477 -7.611 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.141 -10.389 -9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.400 -10.719 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.097 -9.668 -9.156 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.396 -12.100 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.681 -11.197 -10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.459 -12.192 -10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.166 -13.089 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.499 -13.351 -11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.312 -14.866 -8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.080 -16.465 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.631 -15.461 -12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.259 -16.796 -11.741 1.00 0.00 H new ATOM 567 N SER A 38 -14.443 -7.847 -10.592 1.00 0.00 N ATOM 568 CA SER A 38 -14.161 -6.951 -11.670 1.00 0.00 C ATOM 569 C SER A 38 -12.859 -6.228 -11.721 1.00 0.00 C ATOM 570 O SER A 38 -12.452 -5.683 -12.746 1.00 0.00 O ATOM 571 CB SER A 38 -15.207 -5.839 -11.848 1.00 0.00 C ATOM 572 OG SER A 38 -16.314 -6.313 -12.602 1.00 0.00 O ATOM 0 H SER A 38 -15.203 -7.549 -9.981 1.00 0.00 H new ATOM 0 HA SER A 38 -14.156 -7.707 -12.455 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.546 -5.491 -10.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.756 -4.984 -12.352 1.00 0.00 H new ATOM 0 HG SER A 38 -16.972 -5.594 -12.705 1.00 0.00 H new ATOM 578 N LEU A 39 -12.151 -6.087 -10.586 1.00 0.00 N ATOM 579 CA LEU A 39 -10.760 -5.756 -10.592 1.00 0.00 C ATOM 580 C LEU A 39 -9.897 -6.719 -11.332 1.00 0.00 C ATOM 581 O LEU A 39 -9.053 -6.424 -12.177 1.00 0.00 O ATOM 582 CB LEU A 39 -10.263 -5.659 -9.140 1.00 0.00 C ATOM 583 CG LEU A 39 -8.862 -5.077 -8.890 1.00 0.00 C ATOM 584 CD1 LEU A 39 -8.754 -3.557 -9.103 1.00 0.00 C ATOM 585 CD2 LEU A 39 -8.332 -5.442 -7.493 1.00 0.00 C ATOM 0 H LEU A 39 -12.548 -6.204 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.678 -4.805 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.979 -5.055 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.289 -6.661 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.239 -5.544 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.732 -3.234 -8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.018 -3.314 -10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.435 -3.045 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.340 -5.012 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.007 -5.047 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.273 -6.526 -7.398 1.00 0.00 H new ATOM 597 N GLY A 40 -10.217 -7.999 -11.070 1.00 0.00 N ATOM 598 CA GLY A 40 -9.509 -9.153 -11.531 1.00 0.00 C ATOM 599 C GLY A 40 -8.851 -10.065 -10.553 1.00 0.00 C ATOM 600 O GLY A 40 -7.735 -10.536 -10.767 1.00 0.00 O ATOM 0 H GLY A 40 -11.025 -8.243 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.210 -9.752 -12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.739 -8.807 -12.220 1.00 0.00 H new ATOM 604 N GLN A 41 -9.555 -10.268 -9.425 1.00 0.00 N ATOM 605 CA GLN A 41 -9.181 -11.218 -8.424 1.00 0.00 C ATOM 606 C GLN A 41 -10.145 -12.354 -8.400 1.00 0.00 C ATOM 607 O GLN A 41 -11.105 -12.357 -9.170 1.00 0.00 O ATOM 608 CB GLN A 41 -8.914 -10.663 -7.015 1.00 0.00 C ATOM 609 CG GLN A 41 -7.855 -9.569 -6.867 1.00 0.00 C ATOM 610 CD GLN A 41 -7.881 -9.074 -5.428 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.592 -8.120 -5.116 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.934 -9.496 -4.549 1.00 0.00 N ATOM 0 H GLN A 41 -10.409 -9.756 -9.203 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.197 -11.570 -8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.854 -10.274 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.625 -11.497 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.868 -9.959 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.057 -8.748 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.333 -10.285 -4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.824 -9.023 -3.652 1.00 0.00 H new ATOM 621 N ASN A 42 -9.970 -13.334 -7.496 1.00 0.00 N ATOM 622 CA ASN A 42 -10.865 -14.414 -7.217 1.00 0.00 C ATOM 623 C ASN A 42 -11.249 -14.403 -5.777 1.00 0.00 C ATOM 624 O ASN A 42 -10.827 -15.286 -5.032 1.00 0.00 O ATOM 625 CB ASN A 42 -10.118 -15.724 -7.520 1.00 0.00 C ATOM 626 CG ASN A 42 -10.091 -15.856 -9.036 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.108 -15.862 -9.727 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.890 -15.980 -9.663 1.00 0.00 N ATOM 0 H ASN A 42 -9.134 -13.373 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.766 -14.320 -7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.107 -15.699 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.624 -16.575 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.852 -16.074 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.028 -15.979 -9.118 1.00 0.00 H new ATOM 635 N PRO A 43 -12.118 -13.524 -5.374 1.00 0.00 N ATOM 636 CA PRO A 43 -12.413 -13.479 -3.972 1.00 0.00 C ATOM 637 C PRO A 43 -13.329 -14.566 -3.523 1.00 0.00 C ATOM 638 O PRO A 43 -13.992 -15.141 -4.385 1.00 0.00 O ATOM 639 CB PRO A 43 -13.168 -12.171 -3.749 1.00 0.00 C ATOM 640 CG PRO A 43 -13.703 -11.826 -5.147 1.00 0.00 C ATOM 641 CD PRO A 43 -12.634 -12.377 -6.105 1.00 0.00 C ATOM 0 HA PRO A 43 -11.477 -13.579 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.976 -12.292 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.513 -11.389 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.674 -12.286 -5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.832 -10.751 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.060 -12.666 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.855 -11.642 -6.310 1.00 0.00 H new ATOM 649 N THR A 44 -13.396 -14.875 -2.216 1.00 0.00 N ATOM 650 CA THR A 44 -14.335 -15.705 -1.528 1.00 0.00 C ATOM 651 C THR A 44 -15.060 -14.974 -0.450 1.00 0.00 C ATOM 652 O THR A 44 -14.548 -14.006 0.109 1.00 0.00 O ATOM 653 CB THR A 44 -13.720 -16.924 -0.907 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.645 -16.539 -0.064 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.135 -17.758 -2.059 1.00 0.00 C ATOM 0 H THR A 44 -12.707 -14.495 -1.567 1.00 0.00 H new ATOM 0 HA THR A 44 -15.028 -16.013 -2.311 1.00 0.00 H new ATOM 0 HB THR A 44 -14.461 -17.475 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.246 -17.337 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.674 -18.660 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.932 -18.034 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.384 -17.171 -2.588 1.00 0.00 H new ATOM 663 N GLU A 45 -16.279 -15.368 -0.042 1.00 0.00 N ATOM 664 CA GLU A 45 -17.146 -14.518 0.714 1.00 0.00 C ATOM 665 C GLU A 45 -16.899 -14.233 2.155 1.00 0.00 C ATOM 666 O GLU A 45 -17.185 -13.143 2.648 1.00 0.00 O ATOM 667 CB GLU A 45 -18.591 -15.012 0.531 1.00 0.00 C ATOM 668 CG GLU A 45 -19.208 -14.546 -0.790 1.00 0.00 C ATOM 669 CD GLU A 45 -20.637 -15.047 -0.947 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.169 -15.737 -0.037 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.097 -14.937 -2.115 1.00 0.00 O ATOM 0 H GLU A 45 -16.669 -16.290 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.920 -13.543 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.607 -16.101 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.202 -14.654 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.197 -13.457 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.602 -14.905 -1.622 1.00 0.00 H new ATOM 678 N ALA A 46 -16.431 -15.310 2.812 1.00 0.00 N ATOM 679 CA ALA A 46 -16.165 -15.251 4.216 1.00 0.00 C ATOM 680 C ALA A 46 -14.818 -14.678 4.490 1.00 0.00 C ATOM 681 O ALA A 46 -14.572 -14.022 5.501 1.00 0.00 O ATOM 682 CB ALA A 46 -16.302 -16.582 4.974 1.00 0.00 C ATOM 0 H ALA A 46 -16.239 -16.212 2.377 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.951 -14.599 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -16.079 -16.424 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.320 -16.956 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.604 -17.310 4.560 1.00 0.00 H new ATOM 688 N GLU A 47 -13.919 -14.804 3.498 1.00 0.00 N ATOM 689 CA GLU A 47 -12.821 -13.897 3.363 1.00 0.00 C ATOM 690 C GLU A 47 -13.192 -12.467 3.168 1.00 0.00 C ATOM 691 O GLU A 47 -12.624 -11.543 3.748 1.00 0.00 O ATOM 692 CB GLU A 47 -11.764 -14.390 2.361 1.00 0.00 C ATOM 693 CG GLU A 47 -11.118 -15.741 2.672 1.00 0.00 C ATOM 694 CD GLU A 47 -10.475 -15.639 4.048 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.601 -14.734 4.113 1.00 0.00 O ATOM 696 OE2 GLU A 47 -10.755 -16.448 4.972 1.00 0.00 O ATOM 0 H GLU A 47 -13.952 -15.535 2.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.351 -13.904 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.227 -14.450 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.976 -13.640 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.865 -16.535 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.371 -15.991 1.918 1.00 0.00 H new ATOM 703 N LEU A 48 -14.195 -12.133 2.337 1.00 0.00 N ATOM 704 CA LEU A 48 -14.574 -10.764 2.179 1.00 0.00 C ATOM 705 C LEU A 48 -15.175 -10.221 3.430 1.00 0.00 C ATOM 706 O LEU A 48 -14.831 -9.141 3.908 1.00 0.00 O ATOM 707 CB LEU A 48 -15.654 -10.574 1.100 1.00 0.00 C ATOM 708 CG LEU A 48 -15.190 -10.670 -0.363 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.377 -10.877 -1.319 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.459 -9.408 -0.850 1.00 0.00 C ATOM 0 H LEU A 48 -14.735 -12.798 1.783 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.653 -10.249 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.431 -11.321 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.115 -9.597 1.248 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.510 -11.522 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.012 -10.940 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.895 -11.800 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.066 -10.037 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.158 -9.540 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.125 -8.549 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.575 -9.239 -0.235 1.00 0.00 H new ATOM 722 N GLN A 49 -16.090 -10.967 4.074 1.00 0.00 N ATOM 723 CA GLN A 49 -16.807 -10.677 5.276 1.00 0.00 C ATOM 724 C GLN A 49 -16.050 -10.424 6.535 1.00 0.00 C ATOM 725 O GLN A 49 -16.466 -9.642 7.389 1.00 0.00 O ATOM 726 CB GLN A 49 -17.613 -11.952 5.575 1.00 0.00 C ATOM 727 CG GLN A 49 -18.752 -11.696 6.565 1.00 0.00 C ATOM 728 CD GLN A 49 -19.540 -12.959 6.878 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.764 -13.775 5.985 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.025 -13.110 8.140 1.00 0.00 N ATOM 0 H GLN A 49 -16.355 -11.880 3.705 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.331 -9.746 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.023 -12.347 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.947 -12.715 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.342 -11.288 7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.425 -10.943 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.817 -12.411 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.596 -13.922 8.373 1.00 0.00 H new ATOM 739 N ASP A 50 -14.785 -10.875 6.614 1.00 0.00 N ATOM 740 CA ASP A 50 -13.892 -10.506 7.668 1.00 0.00 C ATOM 741 C ASP A 50 -13.405 -9.100 7.585 1.00 0.00 C ATOM 742 O ASP A 50 -13.500 -8.295 8.510 1.00 0.00 O ATOM 743 CB ASP A 50 -12.714 -11.495 7.615 1.00 0.00 C ATOM 744 CG ASP A 50 -12.227 -11.773 9.030 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.814 -12.696 9.655 1.00 0.00 O ATOM 746 OD2 ASP A 50 -11.268 -11.070 9.449 1.00 0.00 O ATOM 0 H ASP A 50 -14.374 -11.510 5.930 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.428 -10.555 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.025 -12.423 7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.904 -11.082 7.014 1.00 0.00 H new ATOM 751 N MET A 51 -12.967 -8.570 6.429 1.00 0.00 N ATOM 752 CA MET A 51 -12.757 -7.181 6.163 1.00 0.00 C ATOM 753 C MET A 51 -13.962 -6.312 6.276 1.00 0.00 C ATOM 754 O MET A 51 -13.703 -5.129 6.494 1.00 0.00 O ATOM 755 CB MET A 51 -12.117 -7.146 4.766 1.00 0.00 C ATOM 756 CG MET A 51 -11.825 -5.777 4.148 1.00 0.00 C ATOM 757 SD MET A 51 -11.090 -5.993 2.499 1.00 0.00 S ATOM 758 CE MET A 51 -10.813 -4.257 2.042 1.00 0.00 C ATOM 0 H MET A 51 -12.744 -9.155 5.624 1.00 0.00 H new ATOM 0 HA MET A 51 -12.117 -6.747 6.931 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.179 -7.699 4.814 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.772 -7.688 4.084 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.745 -5.197 4.074 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.145 -5.215 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.364 -4.209 1.050 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.765 -3.726 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.144 -3.792 2.766 1.00 0.00 H new ATOM 768 N ILE A 52 -15.189 -6.843 6.133 1.00 0.00 N ATOM 769 CA ILE A 52 -16.428 -6.169 6.365 1.00 0.00 C ATOM 770 C ILE A 52 -16.565 -5.981 7.837 1.00 0.00 C ATOM 771 O ILE A 52 -16.949 -4.913 8.311 1.00 0.00 O ATOM 772 CB ILE A 52 -17.593 -6.905 5.773 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.476 -6.811 4.242 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.865 -6.214 6.293 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.690 -7.337 3.478 1.00 0.00 C ATOM 0 H ILE A 52 -15.323 -7.809 5.835 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.426 -5.200 5.866 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.620 -7.959 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.313 -5.769 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.594 -7.366 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.743 -6.716 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.888 -6.265 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.866 -5.170 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.519 -7.231 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.844 -8.389 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.574 -6.767 3.763 1.00 0.00 H new ATOM 787 N ASN A 53 -16.273 -7.009 8.654 1.00 0.00 N ATOM 788 CA ASN A 53 -16.432 -7.020 10.075 1.00 0.00 C ATOM 789 C ASN A 53 -15.501 -6.040 10.704 1.00 0.00 C ATOM 790 O ASN A 53 -15.733 -5.307 11.664 1.00 0.00 O ATOM 791 CB ASN A 53 -16.248 -8.501 10.446 1.00 0.00 C ATOM 792 CG ASN A 53 -16.444 -8.592 11.953 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.644 -8.791 12.867 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.721 -8.335 12.342 1.00 0.00 N ATOM 0 H ASN A 53 -15.902 -7.890 8.298 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.399 -6.683 10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.971 -9.126 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.257 -8.853 10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.958 -8.317 13.334 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.442 -8.160 11.642 1.00 0.00 H new ATOM 801 N GLU A 54 -14.329 -5.921 10.055 1.00 0.00 N ATOM 802 CA GLU A 54 -13.237 -5.076 10.425 1.00 0.00 C ATOM 803 C GLU A 54 -13.547 -3.622 10.322 1.00 0.00 C ATOM 804 O GLU A 54 -12.954 -2.795 11.013 1.00 0.00 O ATOM 805 CB GLU A 54 -12.089 -5.316 9.430 1.00 0.00 C ATOM 806 CG GLU A 54 -10.853 -4.465 9.725 1.00 0.00 C ATOM 807 CD GLU A 54 -9.637 -4.929 8.936 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.586 -4.741 7.692 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.664 -5.418 9.571 1.00 0.00 O ATOM 0 H GLU A 54 -14.132 -6.456 9.209 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.997 -5.319 11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.811 -6.370 9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.439 -5.100 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.065 -3.423 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.630 -4.507 10.791 1.00 0.00 H new ATOM 816 N VAL A 55 -14.526 -3.243 9.481 1.00 0.00 N ATOM 817 CA VAL A 55 -14.991 -1.895 9.378 1.00 0.00 C ATOM 818 C VAL A 55 -16.377 -1.606 9.841 1.00 0.00 C ATOM 819 O VAL A 55 -16.886 -0.486 9.826 1.00 0.00 O ATOM 820 CB VAL A 55 -14.964 -1.315 7.995 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.469 -1.239 7.641 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.558 -2.290 6.964 1.00 0.00 C ATOM 0 H VAL A 55 -15.007 -3.891 8.857 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.260 -1.444 10.049 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.514 -0.374 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.353 -0.824 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.957 -0.600 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.037 -2.239 7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.523 -1.838 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.980 -3.214 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.593 -2.510 7.226 1.00 0.00 H new ATOM 832 N ASP A 56 -17.080 -2.639 10.338 1.00 0.00 N ATOM 833 CA ASP A 56 -18.443 -2.612 10.770 1.00 0.00 C ATOM 834 C ASP A 56 -18.619 -1.986 12.110 1.00 0.00 C ATOM 835 O ASP A 56 -18.319 -2.568 13.151 1.00 0.00 O ATOM 836 CB ASP A 56 -19.063 -4.014 10.649 1.00 0.00 C ATOM 837 CG ASP A 56 -20.585 -4.021 10.644 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.153 -3.068 10.048 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.155 -4.910 11.332 1.00 0.00 O ATOM 0 H ASP A 56 -16.662 -3.563 10.446 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.999 -1.955 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.705 -4.480 9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.710 -4.629 11.477 1.00 0.00 H new ATOM 844 N ALA A 57 -19.093 -0.727 12.144 1.00 0.00 N ATOM 845 CA ALA A 57 -19.232 0.124 13.284 1.00 0.00 C ATOM 846 C ALA A 57 -20.584 0.199 13.906 1.00 0.00 C ATOM 847 O ALA A 57 -20.720 0.521 15.085 1.00 0.00 O ATOM 848 CB ALA A 57 -18.669 1.500 12.891 1.00 0.00 C ATOM 0 H ALA A 57 -19.408 -0.264 11.291 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.663 -0.324 14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.756 2.183 13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.620 1.398 12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.232 1.895 12.045 1.00 0.00 H new ATOM 854 N ASP A 58 -21.664 -0.154 13.187 1.00 0.00 N ATOM 855 CA ASP A 58 -23.029 -0.203 13.609 1.00 0.00 C ATOM 856 C ASP A 58 -23.471 -1.551 14.067 1.00 0.00 C ATOM 857 O ASP A 58 -24.405 -1.681 14.856 1.00 0.00 O ATOM 858 CB ASP A 58 -23.953 0.379 12.526 1.00 0.00 C ATOM 859 CG ASP A 58 -23.515 -0.052 11.134 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.339 -1.286 10.947 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.165 0.738 10.216 1.00 0.00 O ATOM 0 H ASP A 58 -21.568 -0.433 12.211 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.103 0.427 14.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.977 0.052 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.951 1.467 12.589 1.00 0.00 H new ATOM 866 N GLY A 59 -22.844 -2.623 13.551 1.00 0.00 N ATOM 867 CA GLY A 59 -23.230 -3.969 13.844 1.00 0.00 C ATOM 868 C GLY A 59 -24.259 -4.481 12.896 1.00 0.00 C ATOM 869 O GLY A 59 -24.883 -5.483 13.240 1.00 0.00 O ATOM 0 H GLY A 59 -22.050 -2.553 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.351 -4.613 13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.619 -4.020 14.861 1.00 0.00 H new ATOM 873 N ASN A 60 -24.502 -3.940 11.689 1.00 0.00 N ATOM 874 CA ASN A 60 -25.409 -4.565 10.777 1.00 0.00 C ATOM 875 C ASN A 60 -24.821 -5.555 9.833 1.00 0.00 C ATOM 876 O ASN A 60 -25.596 -6.283 9.214 1.00 0.00 O ATOM 877 CB ASN A 60 -26.243 -3.464 10.100 1.00 0.00 C ATOM 878 CG ASN A 60 -25.406 -2.501 9.271 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.318 -2.836 8.804 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.936 -1.265 9.069 1.00 0.00 N ATOM 0 H ASN A 60 -24.076 -3.079 11.347 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.060 -5.217 11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.993 -3.928 9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.780 -2.903 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.428 -0.577 8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.841 -1.026 9.473 1.00 0.00 H new ATOM 887 N GLY A 61 -23.496 -5.730 9.681 1.00 0.00 N ATOM 888 CA GLY A 61 -22.863 -6.761 8.917 1.00 0.00 C ATOM 889 C GLY A 61 -22.395 -6.285 7.585 1.00 0.00 C ATOM 890 O GLY A 61 -21.663 -6.961 6.863 1.00 0.00 O ATOM 0 H GLY A 61 -22.820 -5.107 10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.014 -7.153 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.562 -7.586 8.778 1.00 0.00 H new ATOM 894 N THR A 62 -22.984 -5.153 7.160 1.00 0.00 N ATOM 895 CA THR A 62 -22.707 -4.555 5.890 1.00 0.00 C ATOM 896 C THR A 62 -21.845 -3.341 5.916 1.00 0.00 C ATOM 897 O THR A 62 -21.592 -2.723 6.949 1.00 0.00 O ATOM 898 CB THR A 62 -23.981 -4.211 5.177 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.847 -3.412 5.969 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.692 -5.549 4.911 1.00 0.00 C ATOM 0 H THR A 62 -23.670 -4.640 7.713 1.00 0.00 H new ATOM 0 HA THR A 62 -22.139 -5.322 5.364 1.00 0.00 H new ATOM 0 HB THR A 62 -23.747 -3.648 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.416 -3.214 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.632 -5.364 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.055 -6.183 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.894 -6.049 5.859 1.00 0.00 H new ATOM 908 N ILE A 63 -21.296 -2.916 4.763 1.00 0.00 N ATOM 909 CA ILE A 63 -20.538 -1.717 4.586 1.00 0.00 C ATOM 910 C ILE A 63 -21.524 -0.689 4.148 1.00 0.00 C ATOM 911 O ILE A 63 -21.844 -0.476 2.980 1.00 0.00 O ATOM 912 CB ILE A 63 -19.297 -1.866 3.756 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.300 -2.995 4.068 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.578 -0.509 3.829 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.228 -3.081 2.983 1.00 0.00 C ATOM 0 H ILE A 63 -21.389 -3.447 3.897 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.069 -1.398 5.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.651 -2.170 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.832 -2.817 5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.829 -3.945 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.661 -0.551 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.229 0.269 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.334 -0.282 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.532 -3.885 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.699 -3.282 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.686 -2.137 2.931 1.00 0.00 H new ATOM 927 N ASP A 64 -21.849 0.211 5.093 1.00 0.00 N ATOM 928 CA ASP A 64 -22.554 1.428 4.832 1.00 0.00 C ATOM 929 C ASP A 64 -21.642 2.541 4.443 1.00 0.00 C ATOM 930 O ASP A 64 -20.462 2.566 4.787 1.00 0.00 O ATOM 931 CB ASP A 64 -23.257 1.894 6.118 1.00 0.00 C ATOM 932 CG ASP A 64 -24.160 0.829 6.723 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.711 -0.193 7.308 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.415 0.920 6.643 1.00 0.00 O ATOM 0 H ASP A 64 -21.612 0.086 6.077 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.248 1.215 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.505 2.184 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.849 2.783 5.900 1.00 0.00 H new ATOM 939 N PHE A 65 -22.139 3.639 3.845 1.00 0.00 N ATOM 940 CA PHE A 65 -21.312 4.634 3.236 1.00 0.00 C ATOM 941 C PHE A 65 -20.481 5.327 4.260 1.00 0.00 C ATOM 942 O PHE A 65 -19.350 5.689 3.939 1.00 0.00 O ATOM 943 CB PHE A 65 -22.253 5.569 2.458 1.00 0.00 C ATOM 944 CG PHE A 65 -21.393 6.455 1.625 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.467 5.975 0.729 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.687 7.798 1.591 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.673 6.794 -0.039 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.957 8.629 0.775 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.842 8.148 0.130 1.00 0.00 C ATOM 0 H PHE A 65 -23.137 3.840 3.783 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.590 4.203 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.936 4.995 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.865 6.157 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.358 4.906 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.485 8.196 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.954 6.394 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.259 9.657 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.098 8.835 -0.245 1.00 0.00 H new ATOM 959 N PRO A 66 -20.892 5.708 5.433 1.00 0.00 N ATOM 960 CA PRO A 66 -19.963 6.353 6.314 1.00 0.00 C ATOM 961 C PRO A 66 -18.762 5.602 6.777 1.00 0.00 C ATOM 962 O PRO A 66 -17.801 6.246 7.196 1.00 0.00 O ATOM 963 CB PRO A 66 -20.779 6.718 7.553 1.00 0.00 C ATOM 964 CG PRO A 66 -22.253 6.619 7.128 1.00 0.00 C ATOM 965 CD PRO A 66 -22.242 5.613 5.967 1.00 0.00 C ATOM 0 HA PRO A 66 -19.533 7.170 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.563 6.038 8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.538 7.724 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.882 6.274 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.643 7.587 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.465 4.603 6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.988 5.865 5.213 1.00 0.00 H new ATOM 973 N GLU A 67 -18.900 4.265 6.774 1.00 0.00 N ATOM 974 CA GLU A 67 -17.857 3.336 7.083 1.00 0.00 C ATOM 975 C GLU A 67 -16.962 3.126 5.911 1.00 0.00 C ATOM 976 O GLU A 67 -15.751 2.946 6.029 1.00 0.00 O ATOM 977 CB GLU A 67 -18.195 1.918 7.575 1.00 0.00 C ATOM 978 CG GLU A 67 -19.399 1.914 8.519 1.00 0.00 C ATOM 979 CD GLU A 67 -20.066 0.559 8.709 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.512 -0.048 7.699 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.316 0.105 9.857 1.00 0.00 O ATOM 0 H GLU A 67 -19.783 3.809 6.545 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.421 3.853 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.403 1.276 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.331 1.496 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.079 2.284 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.141 2.617 8.140 1.00 0.00 H new ATOM 988 N PHE A 68 -17.429 3.345 4.669 1.00 0.00 N ATOM 989 CA PHE A 68 -16.675 3.314 3.455 1.00 0.00 C ATOM 990 C PHE A 68 -15.842 4.548 3.395 1.00 0.00 C ATOM 991 O PHE A 68 -14.708 4.580 2.920 1.00 0.00 O ATOM 992 CB PHE A 68 -17.573 3.254 2.208 1.00 0.00 C ATOM 993 CG PHE A 68 -16.907 2.910 0.920 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.450 3.875 0.054 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.889 1.598 0.509 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.033 3.549 -1.215 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.360 1.238 -0.708 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.061 2.232 -1.610 1.00 0.00 C ATOM 0 H PHE A 68 -18.412 3.561 4.503 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.061 2.413 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.360 2.522 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.059 4.223 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.418 4.906 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.298 0.835 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.688 4.316 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.184 0.200 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.846 1.976 -2.637 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.309 5.686 3.939 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.450 6.798 4.205 1.00 0.00 C ATOM 1010 C LEU A 69 -14.372 6.561 5.207 1.00 0.00 C ATOM 1011 O LEU A 69 -13.266 7.097 5.150 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.349 8.014 4.485 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.342 8.271 3.338 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.300 9.395 3.766 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.737 8.626 1.969 1.00 0.00 C ATOM 0 H LEU A 69 -17.285 5.836 4.195 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.840 6.991 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.899 7.853 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.728 8.898 4.632 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.842 7.316 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.012 9.591 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.839 9.092 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.729 10.300 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.538 8.783 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.145 9.537 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.098 7.810 1.631 1.00 0.00 H new ATOM 1027 N THR A 70 -14.650 5.817 6.292 1.00 0.00 N ATOM 1028 CA THR A 70 -13.693 5.345 7.244 1.00 0.00 C ATOM 1029 C THR A 70 -12.691 4.452 6.598 1.00 0.00 C ATOM 1030 O THR A 70 -11.502 4.502 6.908 1.00 0.00 O ATOM 1031 CB THR A 70 -14.306 4.716 8.460 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.949 5.756 9.182 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.283 4.182 9.477 1.00 0.00 C ATOM 0 H THR A 70 -15.602 5.528 6.518 1.00 0.00 H new ATOM 0 HA THR A 70 -13.173 6.229 7.614 1.00 0.00 H new ATOM 0 HB THR A 70 -14.934 3.902 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.366 5.385 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.808 3.744 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.661 3.422 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.653 5.001 9.824 1.00 0.00 H new ATOM 1041 N MET A 71 -13.177 3.567 5.709 1.00 0.00 N ATOM 1042 CA MET A 71 -12.330 2.760 4.887 1.00 0.00 C ATOM 1043 C MET A 71 -11.365 3.549 4.071 1.00 0.00 C ATOM 1044 O MET A 71 -10.150 3.362 4.055 1.00 0.00 O ATOM 1045 CB MET A 71 -13.075 1.850 3.896 1.00 0.00 C ATOM 1046 CG MET A 71 -12.127 0.753 3.407 1.00 0.00 C ATOM 1047 SD MET A 71 -12.794 -0.637 2.444 1.00 0.00 S ATOM 1048 CE MET A 71 -13.652 -1.451 3.822 1.00 0.00 C ATOM 0 H MET A 71 -14.173 3.409 5.559 1.00 0.00 H new ATOM 0 HA MET A 71 -11.813 2.154 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.947 1.406 4.377 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.440 2.434 3.051 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.357 1.231 2.801 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.630 0.336 4.283 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.133 -2.362 3.464 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.932 -1.703 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.407 -0.778 4.229 1.00 0.00 H new ATOM 1058 N MET A 72 -11.954 4.460 3.275 1.00 0.00 N ATOM 1059 CA MET A 72 -11.279 5.221 2.270 1.00 0.00 C ATOM 1060 C MET A 72 -10.319 6.217 2.824 1.00 0.00 C ATOM 1061 O MET A 72 -9.352 6.574 2.154 1.00 0.00 O ATOM 1062 CB MET A 72 -12.315 5.828 1.309 1.00 0.00 C ATOM 1063 CG MET A 72 -12.880 4.771 0.357 1.00 0.00 C ATOM 1064 SD MET A 72 -11.637 3.931 -0.669 1.00 0.00 S ATOM 1065 CE MET A 72 -12.798 2.847 -1.549 1.00 0.00 C ATOM 0 H MET A 72 -12.949 4.676 3.336 1.00 0.00 H new ATOM 0 HA MET A 72 -10.642 4.546 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.127 6.275 1.882 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.853 6.629 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.414 4.023 0.943 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.611 5.245 -0.298 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.241 2.125 -2.146 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.420 2.317 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.432 3.447 -2.203 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.500 6.690 4.071 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.624 7.611 4.726 1.00 0.00 C ATOM 1077 C ALA A 73 -8.305 6.996 5.043 1.00 0.00 C ATOM 1078 O ALA A 73 -7.421 7.834 5.209 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.285 8.261 5.954 1.00 0.00 C ATOM 0 H ALA A 73 -11.295 6.417 4.649 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.425 8.419 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.584 8.953 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.178 8.804 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.562 7.487 6.670 1.00 0.00 H new ATOM 1234 N GLU A 83 3.737 7.797 2.484 1.00 0.00 N ATOM 1235 CA GLU A 83 3.629 7.445 3.865 1.00 0.00 C ATOM 1236 C GLU A 83 2.742 6.339 4.327 1.00 0.00 C ATOM 1237 O GLU A 83 3.021 5.713 5.348 1.00 0.00 O ATOM 1238 CB GLU A 83 3.702 8.622 4.853 1.00 0.00 C ATOM 1239 CG GLU A 83 2.326 9.198 5.192 1.00 0.00 C ATOM 1240 CD GLU A 83 2.170 10.534 5.904 1.00 0.00 C ATOM 1241 OE1 GLU A 83 2.615 11.549 5.305 1.00 0.00 O ATOM 1242 OE2 GLU A 83 1.467 10.696 6.937 1.00 0.00 O ATOM 0 HA GLU A 83 4.575 6.904 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.188 8.290 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.326 9.409 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.776 9.274 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.814 8.454 5.802 1.00 0.00 H new ATOM 1249 N GLU A 84 1.760 5.931 3.504 1.00 0.00 N ATOM 1250 CA GLU A 84 0.981 4.741 3.655 1.00 0.00 C ATOM 1251 C GLU A 84 1.657 3.434 3.422 1.00 0.00 C ATOM 1252 O GLU A 84 1.647 2.449 4.159 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.339 4.784 2.868 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.548 3.954 3.305 1.00 0.00 C ATOM 1255 CD GLU A 84 -1.539 2.574 2.662 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -1.631 2.550 1.405 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.609 1.582 3.436 1.00 0.00 O ATOM 0 H GLU A 84 1.493 6.468 2.679 1.00 0.00 H new ATOM 0 HA GLU A 84 0.787 4.765 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.660 5.825 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.108 4.495 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.547 3.851 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.466 4.476 3.035 1.00 0.00 H new ATOM 1264 N ILE A 85 2.413 3.454 2.310 1.00 0.00 N ATOM 1265 CA ILE A 85 3.244 2.355 1.927 1.00 0.00 C ATOM 1266 C ILE A 85 4.519 2.364 2.699 1.00 0.00 C ATOM 1267 O ILE A 85 5.077 1.335 3.077 1.00 0.00 O ATOM 1268 CB ILE A 85 3.407 2.131 0.453 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.421 3.101 -0.176 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.022 2.209 -0.212 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.422 3.162 -1.703 1.00 0.00 C ATOM 0 H ILE A 85 2.448 4.245 1.667 1.00 0.00 H new ATOM 0 HA ILE A 85 2.694 1.457 2.210 1.00 0.00 H new ATOM 0 HB ILE A 85 3.825 1.138 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.225 4.102 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.420 2.821 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.124 2.048 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.372 1.442 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.587 3.192 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.174 3.876 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.653 2.176 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.440 3.477 -2.055 1.00 0.00 H new ATOM 1283 N ARG A 86 5.108 3.526 3.032 1.00 0.00 N ATOM 1284 CA ARG A 86 6.203 3.566 3.950 1.00 0.00 C ATOM 1285 C ARG A 86 6.003 2.863 5.249 1.00 0.00 C ATOM 1286 O ARG A 86 6.765 1.968 5.610 1.00 0.00 O ATOM 1287 CB ARG A 86 6.637 5.027 4.155 1.00 0.00 C ATOM 1288 CG ARG A 86 8.011 4.981 4.827 1.00 0.00 C ATOM 1289 CD ARG A 86 8.508 6.392 5.145 1.00 0.00 C ATOM 1290 NE ARG A 86 9.953 6.331 5.506 1.00 0.00 N ATOM 1291 CZ ARG A 86 10.431 6.703 6.729 1.00 0.00 C ATOM 1292 NH1 ARG A 86 9.586 7.165 7.697 1.00 0.00 N ATOM 1293 NH2 ARG A 86 11.762 6.619 7.018 1.00 0.00 N ATOM 0 H ARG A 86 4.827 4.436 2.667 1.00 0.00 H new ATOM 0 HA ARG A 86 6.999 2.986 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.688 5.554 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.919 5.562 4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.952 4.396 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.724 4.478 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.363 7.045 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.933 6.817 5.968 1.00 0.00 H new ATOM 0 HE ARG A 86 10.615 5.996 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.586 7.235 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.955 7.440 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.416 6.274 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.103 6.901 7.937 1.00 0.00 H new ATOM 1307 N GLU A 87 4.891 3.184 5.935 1.00 0.00 N ATOM 1308 CA GLU A 87 4.474 2.401 7.057 1.00 0.00 C ATOM 1309 C GLU A 87 4.083 0.980 6.837 1.00 0.00 C ATOM 1310 O GLU A 87 4.442 0.171 7.691 1.00 0.00 O ATOM 1311 CB GLU A 87 3.383 3.173 7.817 1.00 0.00 C ATOM 1312 CG GLU A 87 3.003 2.670 9.211 1.00 0.00 C ATOM 1313 CD GLU A 87 4.067 2.794 10.293 1.00 0.00 C ATOM 1314 OE1 GLU A 87 5.115 2.097 10.231 1.00 0.00 O ATOM 1315 OE2 GLU A 87 3.857 3.604 11.234 1.00 0.00 O ATOM 0 H GLU A 87 4.287 3.976 5.716 1.00 0.00 H new ATOM 0 HA GLU A 87 5.384 2.273 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.707 4.209 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.482 3.175 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.117 3.214 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.721 1.620 9.129 1.00 0.00 H new ATOM 1322 N ALA A 88 3.417 0.637 5.720 1.00 0.00 N ATOM 1323 CA ALA A 88 2.960 -0.682 5.411 1.00 0.00 C ATOM 1324 C ALA A 88 4.123 -1.591 5.209 1.00 0.00 C ATOM 1325 O ALA A 88 4.041 -2.780 5.515 1.00 0.00 O ATOM 1326 CB ALA A 88 1.985 -0.769 4.224 1.00 0.00 C ATOM 0 H ALA A 88 3.185 1.316 4.995 1.00 0.00 H new ATOM 0 HA ALA A 88 2.377 -1.002 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.695 -1.808 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.098 -0.173 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.471 -0.388 3.326 1.00 0.00 H new ATOM 1332 N PHE A 89 5.295 -1.030 4.861 1.00 0.00 N ATOM 1333 CA PHE A 89 6.536 -1.738 4.897 1.00 0.00 C ATOM 1334 C PHE A 89 6.875 -2.250 6.255 1.00 0.00 C ATOM 1335 O PHE A 89 7.141 -3.439 6.428 1.00 0.00 O ATOM 1336 CB PHE A 89 7.621 -0.850 4.266 1.00 0.00 C ATOM 1337 CG PHE A 89 8.894 -1.602 4.080 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.001 -2.489 3.035 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.966 -1.407 4.918 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.214 -3.056 2.723 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.152 -2.031 4.609 1.00 0.00 C ATOM 1342 CZ PHE A 89 11.329 -2.812 3.491 1.00 0.00 C ATOM 0 H PHE A 89 5.382 -0.063 4.548 1.00 0.00 H new ATOM 0 HA PHE A 89 6.455 -2.649 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.273 -0.475 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.798 0.018 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.126 -2.742 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.879 -0.782 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.293 -3.703 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.988 -1.901 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.296 -3.214 3.229 1.00 0.00 H new ATOM 1352 N ARG A 90 6.850 -1.407 7.302 1.00 0.00 N ATOM 1353 CA ARG A 90 7.035 -1.755 8.677 1.00 0.00 C ATOM 1354 C ARG A 90 5.898 -2.420 9.374 1.00 0.00 C ATOM 1355 O ARG A 90 6.108 -3.199 10.302 1.00 0.00 O ATOM 1356 CB ARG A 90 7.442 -0.429 9.343 1.00 0.00 C ATOM 1357 CG ARG A 90 8.024 -0.437 10.757 1.00 0.00 C ATOM 1358 CD ARG A 90 8.574 0.891 11.284 1.00 0.00 C ATOM 1359 NE ARG A 90 7.475 1.882 11.459 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.609 3.084 12.091 1.00 0.00 C ATOM 1361 NH1 ARG A 90 8.703 3.501 12.793 1.00 0.00 N ATOM 1362 NH2 ARG A 90 6.532 3.923 12.052 1.00 0.00 N ATOM 0 H ARG A 90 6.688 -0.408 7.177 1.00 0.00 H new ATOM 0 HA ARG A 90 7.785 -2.542 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.174 0.050 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.560 0.212 9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.248 -0.779 11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.826 -1.174 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.080 0.729 12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.318 1.283 10.591 1.00 0.00 H new ATOM 0 HE ARG A 90 6.558 1.645 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.517 2.892 12.879 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.707 4.422 13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.681 3.639 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.578 4.834 12.508 1.00 0.00 H new ATOM 1376 N VAL A 91 4.638 -2.246 8.936 1.00 0.00 N ATOM 1377 CA VAL A 91 3.482 -2.988 9.332 1.00 0.00 C ATOM 1378 C VAL A 91 3.715 -4.418 8.986 1.00 0.00 C ATOM 1379 O VAL A 91 3.516 -5.282 9.838 1.00 0.00 O ATOM 1380 CB VAL A 91 2.206 -2.538 8.684 1.00 0.00 C ATOM 1381 CG1 VAL A 91 1.056 -3.443 9.159 1.00 0.00 C ATOM 1382 CG2 VAL A 91 1.810 -1.112 9.102 1.00 0.00 C ATOM 0 H VAL A 91 4.412 -1.527 8.249 1.00 0.00 H new ATOM 0 HA VAL A 91 3.352 -2.828 10.402 1.00 0.00 H new ATOM 0 HB VAL A 91 2.370 -2.580 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.124 -3.123 8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.266 -4.475 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.962 -3.373 10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.880 -0.833 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.671 -1.075 10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.598 -0.416 8.814 1.00 0.00 H new ATOM 1392 N PHE A 92 4.240 -4.759 7.795 1.00 0.00 N ATOM 1393 CA PHE A 92 4.614 -6.075 7.380 1.00 0.00 C ATOM 1394 C PHE A 92 5.822 -6.608 8.072 1.00 0.00 C ATOM 1395 O PHE A 92 5.758 -7.708 8.617 1.00 0.00 O ATOM 1396 CB PHE A 92 4.776 -5.974 5.854 1.00 0.00 C ATOM 1397 CG PHE A 92 3.455 -5.730 5.209 1.00 0.00 C ATOM 1398 CD1 PHE A 92 2.227 -5.964 5.781 1.00 0.00 C ATOM 1399 CD2 PHE A 92 3.414 -5.481 3.857 1.00 0.00 C ATOM 1400 CE1 PHE A 92 1.047 -5.702 5.126 1.00 0.00 C ATOM 1401 CE2 PHE A 92 2.254 -5.214 3.168 1.00 0.00 C ATOM 1402 CZ PHE A 92 1.044 -5.273 3.819 1.00 0.00 C ATOM 0 H PHE A 92 4.415 -4.063 7.070 1.00 0.00 H new ATOM 0 HA PHE A 92 3.854 -6.806 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.464 -5.165 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.213 -6.894 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.188 -6.368 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.343 -5.496 3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.109 -5.835 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.293 -4.959 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.126 -4.993 3.323 1.00 0.00 H new ATOM 1412 N ASP A 93 6.987 -5.943 7.977 1.00 0.00 N ATOM 1413 CA ASP A 93 8.207 -6.512 8.461 1.00 0.00 C ATOM 1414 C ASP A 93 8.293 -6.473 9.948 1.00 0.00 C ATOM 1415 O ASP A 93 8.420 -5.391 10.518 1.00 0.00 O ATOM 1416 CB ASP A 93 9.460 -5.900 7.812 1.00 0.00 C ATOM 1417 CG ASP A 93 10.647 -6.827 8.030 1.00 0.00 C ATOM 1418 OD1 ASP A 93 10.372 -8.050 7.909 1.00 0.00 O ATOM 1419 OD2 ASP A 93 11.782 -6.459 8.435 1.00 0.00 O ATOM 0 H ASP A 93 7.085 -5.014 7.567 1.00 0.00 H new ATOM 0 HA ASP A 93 8.182 -7.559 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.294 -5.749 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.665 -4.921 8.244 1.00 0.00 H new ATOM 1424 N LYS A 94 8.167 -7.607 10.660 1.00 0.00 N ATOM 1425 CA LYS A 94 8.069 -7.607 12.086 1.00 0.00 C ATOM 1426 C LYS A 94 9.298 -7.119 12.773 1.00 0.00 C ATOM 1427 O LYS A 94 9.340 -6.287 13.678 1.00 0.00 O ATOM 1428 CB LYS A 94 7.664 -9.034 12.493 1.00 0.00 C ATOM 1429 CG LYS A 94 6.262 -9.378 11.983 1.00 0.00 C ATOM 1430 CD LYS A 94 5.095 -8.551 12.526 1.00 0.00 C ATOM 1431 CE LYS A 94 3.972 -8.410 11.496 1.00 0.00 C ATOM 1432 NZ LYS A 94 2.799 -7.732 12.091 1.00 0.00 N ATOM 0 H LYS A 94 8.133 -8.536 10.240 1.00 0.00 H new ATOM 0 HA LYS A 94 7.316 -6.889 12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.385 -9.747 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.692 -9.127 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.266 -9.284 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.068 -10.426 12.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.704 -9.022 13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.452 -7.562 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.329 -7.843 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.682 -9.395 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.048 -7.646 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.448 -8.288 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.075 -6.784 12.419 1.00 0.00 H new ATOM 1446 N ASP A 95 10.445 -7.689 12.364 1.00 0.00 N ATOM 1447 CA ASP A 95 11.713 -7.264 12.872 1.00 0.00 C ATOM 1448 C ASP A 95 12.157 -5.894 12.491 1.00 0.00 C ATOM 1449 O ASP A 95 12.744 -5.142 13.267 1.00 0.00 O ATOM 1450 CB ASP A 95 12.683 -8.405 12.522 1.00 0.00 C ATOM 1451 CG ASP A 95 12.774 -8.661 11.025 1.00 0.00 C ATOM 1452 OD1 ASP A 95 11.701 -9.074 10.509 1.00 0.00 O ATOM 1453 OD2 ASP A 95 13.814 -8.598 10.315 1.00 0.00 O ATOM 0 H ASP A 95 10.495 -8.445 11.681 1.00 0.00 H new ATOM 0 HA ASP A 95 11.659 -7.111 13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.674 -8.164 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.360 -9.317 13.023 1.00 0.00 H new ATOM 1458 N GLY A 96 11.935 -5.499 11.224 1.00 0.00 N ATOM 1459 CA GLY A 96 12.309 -4.259 10.619 1.00 0.00 C ATOM 1460 C GLY A 96 13.784 -4.073 10.515 1.00 0.00 C ATOM 1461 O GLY A 96 14.307 -3.113 11.079 1.00 0.00 O ATOM 0 H GLY A 96 11.448 -6.106 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.872 -4.203 9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.887 -3.438 11.199 1.00 0.00 H new ATOM 1465 N ASN A 97 14.542 -4.985 9.882 1.00 0.00 N ATOM 1466 CA ASN A 97 15.964 -4.875 9.780 1.00 0.00 C ATOM 1467 C ASN A 97 16.374 -3.997 8.649 1.00 0.00 C ATOM 1468 O ASN A 97 17.410 -3.333 8.659 1.00 0.00 O ATOM 1469 CB ASN A 97 16.539 -6.296 9.648 1.00 0.00 C ATOM 1470 CG ASN A 97 16.321 -7.117 8.385 1.00 0.00 C ATOM 1471 OD1 ASN A 97 15.162 -7.363 8.056 1.00 0.00 O ATOM 1472 ND2 ASN A 97 17.435 -7.597 7.770 1.00 0.00 N ATOM 0 H ASN A 97 14.159 -5.816 9.431 1.00 0.00 H new ATOM 0 HA ASN A 97 16.364 -4.399 10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.616 -6.219 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.143 -6.879 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.346 -8.216 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.359 -7.338 8.114 1.00 0.00 H new ATOM 1479 N GLY A 98 15.474 -3.910 7.654 1.00 0.00 N ATOM 1480 CA GLY A 98 15.648 -3.120 6.475 1.00 0.00 C ATOM 1481 C GLY A 98 15.241 -3.914 5.281 1.00 0.00 C ATOM 1482 O GLY A 98 15.051 -3.347 4.206 1.00 0.00 O ATOM 0 H GLY A 98 14.586 -4.412 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.050 -2.211 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.689 -2.811 6.382 1.00 0.00 H new ATOM 1486 N TYR A 99 15.106 -5.238 5.476 1.00 0.00 N ATOM 1487 CA TYR A 99 14.648 -6.091 4.423 1.00 0.00 C ATOM 1488 C TYR A 99 13.559 -7.043 4.779 1.00 0.00 C ATOM 1489 O TYR A 99 13.374 -7.699 5.803 1.00 0.00 O ATOM 1490 CB TYR A 99 15.835 -6.904 3.878 1.00 0.00 C ATOM 1491 CG TYR A 99 16.996 -6.095 3.412 1.00 0.00 C ATOM 1492 CD1 TYR A 99 17.003 -5.530 2.158 1.00 0.00 C ATOM 1493 CD2 TYR A 99 17.968 -5.733 4.315 1.00 0.00 C ATOM 1494 CE1 TYR A 99 18.036 -4.703 1.782 1.00 0.00 C ATOM 1495 CE2 TYR A 99 18.961 -4.862 3.934 1.00 0.00 C ATOM 1496 CZ TYR A 99 19.068 -4.406 2.641 1.00 0.00 C ATOM 1497 OH TYR A 99 20.080 -3.462 2.367 1.00 0.00 O ATOM 0 H TYR A 99 15.312 -5.715 6.354 1.00 0.00 H new ATOM 0 HA TYR A 99 14.220 -5.412 3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 99 16.177 -7.585 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 99 15.484 -7.518 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 99 16.198 -5.736 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.951 -6.131 5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 99 18.037 -4.277 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 99 19.677 -4.527 4.670 1.00 0.00 H new ATOM 0 HH TYR A 99 20.702 -3.421 3.123 1.00 0.00 H new ATOM 1507 N ILE A 100 12.631 -7.268 3.832 1.00 0.00 N ATOM 1508 CA ILE A 100 11.693 -8.344 3.922 1.00 0.00 C ATOM 1509 C ILE A 100 12.232 -9.491 3.138 1.00 0.00 C ATOM 1510 O ILE A 100 12.390 -9.360 1.925 1.00 0.00 O ATOM 1511 CB ILE A 100 10.321 -7.986 3.430 1.00 0.00 C ATOM 1512 CG1 ILE A 100 9.921 -6.509 3.584 1.00 0.00 C ATOM 1513 CG2 ILE A 100 9.371 -8.896 4.227 1.00 0.00 C ATOM 1514 CD1 ILE A 100 8.583 -6.213 2.909 1.00 0.00 C ATOM 0 H ILE A 100 12.530 -6.696 2.993 1.00 0.00 H new ATOM 0 HA ILE A 100 11.574 -8.598 4.975 1.00 0.00 H new ATOM 0 HB ILE A 100 10.279 -8.135 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.858 -6.257 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.695 -5.875 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.342 -8.698 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.613 -9.940 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.484 -8.696 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.335 -5.160 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.654 -6.440 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.804 -6.828 3.360 1.00 0.00 H new ATOM 1526 N SER A 101 12.558 -10.640 3.756 1.00 0.00 N ATOM 1527 CA SER A 101 13.214 -11.635 2.965 1.00 0.00 C ATOM 1528 C SER A 101 12.179 -12.378 2.192 1.00 0.00 C ATOM 1529 O SER A 101 11.009 -12.350 2.569 1.00 0.00 O ATOM 1530 CB SER A 101 14.032 -12.605 3.834 1.00 0.00 C ATOM 1531 OG SER A 101 13.235 -13.286 4.793 1.00 0.00 O ATOM 0 H SER A 101 12.384 -10.873 4.734 1.00 0.00 H new ATOM 0 HA SER A 101 13.915 -11.146 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.524 -13.335 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.818 -12.052 4.348 1.00 0.00 H new ATOM 0 HG SER A 101 13.800 -13.891 5.318 1.00 0.00 H new ATOM 1537 N ALA A 102 12.492 -13.067 1.080 1.00 0.00 N ATOM 1538 CA ALA A 102 11.516 -13.856 0.395 1.00 0.00 C ATOM 1539 C ALA A 102 10.770 -14.902 1.149 1.00 0.00 C ATOM 1540 O ALA A 102 9.635 -15.215 0.794 1.00 0.00 O ATOM 1541 CB ALA A 102 12.136 -14.508 -0.853 1.00 0.00 C ATOM 0 H ALA A 102 13.420 -13.078 0.656 1.00 0.00 H new ATOM 0 HA ALA A 102 10.755 -13.109 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.381 -15.106 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.501 -13.732 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.965 -15.149 -0.555 1.00 0.00 H new ATOM 1547 N ALA A 103 11.388 -15.446 2.213 1.00 0.00 N ATOM 1548 CA ALA A 103 10.786 -16.144 3.306 1.00 0.00 C ATOM 1549 C ALA A 103 9.716 -15.386 4.013 1.00 0.00 C ATOM 1550 O ALA A 103 8.572 -15.829 4.102 1.00 0.00 O ATOM 1551 CB ALA A 103 11.915 -16.655 4.216 1.00 0.00 C ATOM 0 H ALA A 103 12.401 -15.391 2.315 1.00 0.00 H new ATOM 0 HA ALA A 103 10.226 -16.995 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.486 -17.193 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.563 -17.325 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.498 -15.810 4.582 1.00 0.00 H new ATOM 1557 N GLU A 104 10.022 -14.173 4.506 1.00 0.00 N ATOM 1558 CA GLU A 104 8.984 -13.418 5.137 1.00 0.00 C ATOM 1559 C GLU A 104 7.963 -13.019 4.128 1.00 0.00 C ATOM 1560 O GLU A 104 6.772 -13.179 4.391 1.00 0.00 O ATOM 1561 CB GLU A 104 9.699 -12.271 5.871 1.00 0.00 C ATOM 1562 CG GLU A 104 10.719 -12.538 6.980 1.00 0.00 C ATOM 1563 CD GLU A 104 11.636 -11.355 7.259 1.00 0.00 C ATOM 1564 OE1 GLU A 104 11.857 -10.435 6.427 1.00 0.00 O ATOM 1565 OE2 GLU A 104 12.189 -11.358 8.391 1.00 0.00 O ATOM 0 H GLU A 104 10.941 -13.731 4.473 1.00 0.00 H new ATOM 0 HA GLU A 104 8.404 -13.975 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.207 -11.678 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.922 -11.639 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.188 -12.800 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.326 -13.401 6.705 1.00 0.00 H new ATOM 1572 N LEU A 105 8.327 -12.503 2.941 1.00 0.00 N ATOM 1573 CA LEU A 105 7.355 -12.025 2.007 1.00 0.00 C ATOM 1574 C LEU A 105 6.217 -12.899 1.604 1.00 0.00 C ATOM 1575 O LEU A 105 5.096 -12.417 1.447 1.00 0.00 O ATOM 1576 CB LEU A 105 7.984 -11.505 0.703 1.00 0.00 C ATOM 1577 CG LEU A 105 7.205 -10.449 -0.099 1.00 0.00 C ATOM 1578 CD1 LEU A 105 7.750 -9.024 0.097 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.258 -10.839 -1.585 1.00 0.00 C ATOM 0 H LEU A 105 9.294 -12.417 2.628 1.00 0.00 H new ATOM 0 HA LEU A 105 6.919 -11.244 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.961 -11.087 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.157 -12.361 0.050 1.00 0.00 H new ATOM 0 HG LEU A 105 6.178 -10.433 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.159 -8.324 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.687 -8.752 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.790 -8.985 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.711 -10.103 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.296 -10.870 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.805 -11.821 -1.720 1.00 0.00 H new ATOM 1591 N ARG A 106 6.413 -14.213 1.394 1.00 0.00 N ATOM 1592 CA ARG A 106 5.373 -15.150 1.102 1.00 0.00 C ATOM 1593 C ARG A 106 4.438 -15.474 2.216 1.00 0.00 C ATOM 1594 O ARG A 106 3.231 -15.546 1.995 1.00 0.00 O ATOM 1595 CB ARG A 106 5.954 -16.428 0.472 1.00 0.00 C ATOM 1596 CG ARG A 106 6.782 -17.363 1.354 1.00 0.00 C ATOM 1597 CD ARG A 106 7.805 -18.278 0.677 1.00 0.00 C ATOM 1598 NE ARG A 106 7.146 -18.992 -0.452 1.00 0.00 N ATOM 1599 CZ ARG A 106 7.750 -19.247 -1.650 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.938 -18.696 -2.034 1.00 0.00 N ATOM 1601 NH2 ARG A 106 7.160 -20.055 -2.579 1.00 0.00 N ATOM 0 H ARG A 106 7.338 -14.641 1.429 1.00 0.00 H new ATOM 0 HA ARG A 106 4.740 -14.629 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.123 -17.005 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.577 -16.129 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.314 -16.750 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.090 -17.993 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.649 -17.693 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.202 -18.995 1.395 1.00 0.00 H new ATOM 0 HE ARG A 106 6.185 -19.310 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.427 -18.053 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.337 -18.927 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.253 -20.479 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.626 -20.234 -3.468 1.00 0.00 H new ATOM 1615 N HIS A 107 4.921 -15.487 3.471 1.00 0.00 N ATOM 1616 CA HIS A 107 4.119 -15.587 4.651 1.00 0.00 C ATOM 1617 C HIS A 107 3.289 -14.358 4.796 1.00 0.00 C ATOM 1618 O HIS A 107 2.082 -14.415 5.024 1.00 0.00 O ATOM 1619 CB HIS A 107 4.975 -15.910 5.886 1.00 0.00 C ATOM 1620 CG HIS A 107 4.306 -16.304 7.170 1.00 0.00 C ATOM 1621 ND1 HIS A 107 3.586 -17.461 7.383 1.00 0.00 N ATOM 1622 CD2 HIS A 107 4.096 -15.525 8.265 1.00 0.00 C ATOM 1623 CE1 HIS A 107 3.094 -17.396 8.649 1.00 0.00 C ATOM 1624 NE2 HIS A 107 3.314 -16.206 9.176 1.00 0.00 N ATOM 0 H HIS A 107 5.919 -15.425 3.673 1.00 0.00 H new ATOM 0 HA HIS A 107 3.431 -16.427 4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.653 -16.718 5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.590 -15.035 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.482 -14.526 8.401 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.592 -18.208 9.154 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.975 -15.860 10.074 1.00 0.00 H new ATOM 1632 N VAL A 108 3.866 -13.174 4.522 1.00 0.00 N ATOM 1633 CA VAL A 108 3.108 -11.962 4.520 1.00 0.00 C ATOM 1634 C VAL A 108 2.103 -11.854 3.426 1.00 0.00 C ATOM 1635 O VAL A 108 0.948 -11.561 3.732 1.00 0.00 O ATOM 1636 CB VAL A 108 3.926 -10.710 4.400 1.00 0.00 C ATOM 1637 CG1 VAL A 108 3.258 -9.374 4.035 1.00 0.00 C ATOM 1638 CG2 VAL A 108 4.851 -10.637 5.627 1.00 0.00 C ATOM 0 H VAL A 108 4.855 -13.056 4.302 1.00 0.00 H new ATOM 0 HA VAL A 108 2.627 -12.033 5.496 1.00 0.00 H new ATOM 0 HB VAL A 108 4.477 -10.829 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.013 -8.588 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.776 -9.462 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.511 -9.123 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.461 -9.735 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.249 -10.611 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.499 -11.513 5.646 1.00 0.00 H new ATOM 1648 N MET A 109 2.321 -12.159 2.134 1.00 0.00 N ATOM 1649 CA MET A 109 1.291 -12.007 1.154 1.00 0.00 C ATOM 1650 C MET A 109 0.185 -12.996 1.294 1.00 0.00 C ATOM 1651 O MET A 109 -0.928 -12.667 0.886 1.00 0.00 O ATOM 1652 CB MET A 109 1.741 -11.720 -0.289 1.00 0.00 C ATOM 1653 CG MET A 109 2.786 -10.603 -0.331 1.00 0.00 C ATOM 1654 SD MET A 109 2.003 -9.014 0.078 1.00 0.00 S ATOM 1655 CE MET A 109 3.584 -8.122 0.134 1.00 0.00 C ATOM 0 H MET A 109 3.207 -12.509 1.769 1.00 0.00 H new ATOM 0 HA MET A 109 0.846 -11.047 1.415 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.156 -12.626 -0.730 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.878 -11.437 -0.892 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.589 -10.816 0.375 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.238 -10.552 -1.321 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.396 -7.055 0.251 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.175 -8.481 0.977 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.132 -8.294 -0.792 1.00 0.00 H new ATOM 1665 N THR A 110 0.452 -14.159 1.915 1.00 0.00 N ATOM 1666 CA THR A 110 -0.473 -15.206 2.220 1.00 0.00 C ATOM 1667 C THR A 110 -1.336 -14.830 3.375 1.00 0.00 C ATOM 1668 O THR A 110 -2.531 -15.115 3.324 1.00 0.00 O ATOM 1669 CB THR A 110 0.123 -16.560 2.468 1.00 0.00 C ATOM 1670 OG1 THR A 110 1.068 -16.789 1.433 1.00 0.00 O ATOM 1671 CG2 THR A 110 -0.961 -17.650 2.494 1.00 0.00 C ATOM 0 H THR A 110 1.396 -14.384 2.230 1.00 0.00 H new ATOM 0 HA THR A 110 -1.058 -15.309 1.306 1.00 0.00 H new ATOM 0 HB THR A 110 0.609 -16.596 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.960 -16.525 1.740 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.498 -18.620 2.676 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.675 -17.434 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.480 -17.670 1.536 1.00 0.00 H new ATOM 1679 N ASN A 111 -0.841 -14.126 4.408 1.00 0.00 N ATOM 1680 CA ASN A 111 -1.707 -13.570 5.401 1.00 0.00 C ATOM 1681 C ASN A 111 -2.546 -12.427 4.943 1.00 0.00 C ATOM 1682 O ASN A 111 -3.693 -12.271 5.360 1.00 0.00 O ATOM 1683 CB ASN A 111 -0.957 -13.122 6.667 1.00 0.00 C ATOM 1684 CG ASN A 111 -0.417 -14.350 7.386 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -1.131 -15.316 7.648 1.00 0.00 O ATOM 1686 ND2 ASN A 111 0.861 -14.198 7.826 1.00 0.00 N ATOM 0 H ASN A 111 0.151 -13.942 4.556 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.369 -14.407 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.140 -12.451 6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.626 -12.566 7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.286 -14.914 8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.394 -13.368 7.567 1.00 0.00 H new ATOM 1693 N LEU A 112 -1.948 -11.679 3.999 1.00 0.00 N ATOM 1694 CA LEU A 112 -2.493 -10.564 3.289 1.00 0.00 C ATOM 1695 C LEU A 112 -3.712 -10.946 2.521 1.00 0.00 C ATOM 1696 O LEU A 112 -4.785 -10.395 2.762 1.00 0.00 O ATOM 1697 CB LEU A 112 -1.489 -9.687 2.522 1.00 0.00 C ATOM 1698 CG LEU A 112 -1.986 -8.231 2.499 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -1.477 -7.485 3.744 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -1.467 -7.420 1.299 1.00 0.00 C ATOM 0 H LEU A 112 -0.991 -11.876 3.707 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.816 -9.867 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.509 -9.740 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.371 -10.058 1.504 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.073 -8.303 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.832 -6.455 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.850 -7.978 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.387 -7.493 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.859 -6.404 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.378 -7.391 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.797 -7.890 0.372 1.00 0.00 H new ATOM 1712 N GLY A 113 -3.661 -11.891 1.566 1.00 0.00 N ATOM 1713 CA GLY A 113 -4.860 -12.360 0.944 1.00 0.00 C ATOM 1714 C GLY A 113 -4.827 -13.529 0.021 1.00 0.00 C ATOM 1715 O GLY A 113 -5.544 -14.516 0.176 1.00 0.00 O ATOM 0 H GLY A 113 -2.802 -12.326 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.563 -12.600 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.282 -11.523 0.388 1.00 0.00 H new ATOM 1719 N GLU A 114 -4.074 -13.364 -1.081 1.00 0.00 N ATOM 1720 CA GLU A 114 -4.101 -14.294 -2.167 1.00 0.00 C ATOM 1721 C GLU A 114 -3.340 -15.551 -1.922 1.00 0.00 C ATOM 1722 O GLU A 114 -2.158 -15.525 -1.580 1.00 0.00 O ATOM 1723 CB GLU A 114 -3.741 -13.683 -3.531 1.00 0.00 C ATOM 1724 CG GLU A 114 -4.652 -12.463 -3.680 1.00 0.00 C ATOM 1725 CD GLU A 114 -4.476 -11.862 -5.068 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -4.785 -12.544 -6.081 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -4.009 -10.692 -5.090 1.00 0.00 O ATOM 0 H GLU A 114 -3.440 -12.577 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.153 -14.575 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.690 -13.396 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.905 -14.397 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.692 -12.752 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.412 -11.721 -2.918 1.00 0.00 H new ATOM 1734 N LYS A 115 -4.037 -16.701 -1.896 1.00 0.00 N ATOM 1735 CA LYS A 115 -3.565 -18.021 -1.612 1.00 0.00 C ATOM 1736 C LYS A 115 -3.260 -18.697 -2.904 1.00 0.00 C ATOM 1737 O LYS A 115 -4.165 -19.113 -3.626 1.00 0.00 O ATOM 1738 CB LYS A 115 -4.551 -18.801 -0.727 1.00 0.00 C ATOM 1739 CG LYS A 115 -4.710 -18.420 0.746 1.00 0.00 C ATOM 1740 CD LYS A 115 -5.780 -19.354 1.316 1.00 0.00 C ATOM 1741 CE LYS A 115 -6.294 -19.002 2.713 1.00 0.00 C ATOM 1742 NZ LYS A 115 -7.165 -17.806 2.707 1.00 0.00 N ATOM 0 H LYS A 115 -5.037 -16.703 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.648 -17.975 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.535 -18.726 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.261 -19.851 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.768 -18.535 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.009 -17.377 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.627 -19.367 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.376 -20.366 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.847 -19.849 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.447 -18.828 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.488 -17.607 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.631 -16.990 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.988 -17.979 2.096 1.00 0.00 H new ATOM 1756 N LEU A 116 -1.941 -18.919 -3.042 1.00 0.00 N ATOM 1757 CA LEU A 116 -1.260 -19.247 -4.256 1.00 0.00 C ATOM 1758 C LEU A 116 -0.725 -20.637 -4.224 1.00 0.00 C ATOM 1759 O LEU A 116 -0.749 -21.260 -3.163 1.00 0.00 O ATOM 1760 CB LEU A 116 -0.160 -18.214 -4.555 1.00 0.00 C ATOM 1761 CG LEU A 116 -0.588 -16.737 -4.592 1.00 0.00 C ATOM 1762 CD1 LEU A 116 0.508 -15.710 -4.926 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -1.735 -16.495 -5.588 1.00 0.00 C ATOM 0 H LEU A 116 -1.305 -18.865 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.982 -19.208 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.622 -18.323 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.287 -18.463 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.889 -16.570 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.081 -14.707 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.302 -15.770 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.919 -15.924 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.006 -15.439 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.414 -16.781 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.600 -17.093 -5.299 1.00 0.00 H new ATOM 1775 N THR A 117 -0.240 -21.154 -5.367 1.00 0.00 N ATOM 1776 CA THR A 117 0.716 -22.213 -5.459 1.00 0.00 C ATOM 1777 C THR A 117 2.091 -21.657 -5.317 1.00 0.00 C ATOM 1778 O THR A 117 2.349 -20.492 -5.616 1.00 0.00 O ATOM 1779 CB THR A 117 0.636 -23.005 -6.731 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.625 -22.148 -7.863 1.00 0.00 O ATOM 1781 CG2 THR A 117 -0.684 -23.769 -6.534 1.00 0.00 C ATOM 0 H THR A 117 -0.534 -20.811 -6.282 1.00 0.00 H new ATOM 0 HA THR A 117 0.480 -22.903 -4.649 1.00 0.00 H new ATOM 0 HB THR A 117 1.483 -23.666 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.574 -22.686 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.873 -24.399 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.614 -24.392 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.502 -23.058 -6.417 1.00 0.00 H new ATOM 1789 N ASP A 118 3.095 -22.380 -4.789 1.00 0.00 N ATOM 1790 CA ASP A 118 4.425 -21.921 -4.531 1.00 0.00 C ATOM 1791 C ASP A 118 5.155 -21.363 -5.703 1.00 0.00 C ATOM 1792 O ASP A 118 5.820 -20.328 -5.696 1.00 0.00 O ATOM 1793 CB ASP A 118 5.218 -23.031 -3.820 1.00 0.00 C ATOM 1794 CG ASP A 118 4.926 -23.100 -2.328 1.00 0.00 C ATOM 1795 OD1 ASP A 118 5.403 -22.179 -1.613 1.00 0.00 O ATOM 1796 OD2 ASP A 118 4.176 -23.990 -1.844 1.00 0.00 O ATOM 0 H ASP A 118 2.967 -23.356 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 118 4.327 -21.055 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.980 -23.991 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.284 -22.862 -3.970 1.00 0.00 H new ATOM 1801 N GLU A 119 5.057 -22.007 -6.880 1.00 0.00 N ATOM 1802 CA GLU A 119 5.617 -21.498 -8.093 1.00 0.00 C ATOM 1803 C GLU A 119 5.083 -20.203 -8.601 1.00 0.00 C ATOM 1804 O GLU A 119 5.838 -19.479 -9.248 1.00 0.00 O ATOM 1805 CB GLU A 119 5.693 -22.586 -9.177 1.00 0.00 C ATOM 1806 CG GLU A 119 6.593 -23.797 -8.922 1.00 0.00 C ATOM 1807 CD GLU A 119 8.083 -23.499 -8.852 1.00 0.00 C ATOM 1808 OE1 GLU A 119 8.649 -22.928 -9.823 1.00 0.00 O ATOM 1809 OE2 GLU A 119 8.693 -23.913 -7.830 1.00 0.00 O ATOM 0 H GLU A 119 4.578 -22.901 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 119 6.631 -21.217 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.682 -22.953 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.025 -22.113 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.289 -24.264 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.423 -24.528 -9.712 1.00 0.00 H new ATOM 1816 N GLU A 120 3.765 -20.011 -8.410 1.00 0.00 N ATOM 1817 CA GLU A 120 3.134 -18.733 -8.531 1.00 0.00 C ATOM 1818 C GLU A 120 3.720 -17.747 -7.580 1.00 0.00 C ATOM 1819 O GLU A 120 3.924 -16.594 -7.958 1.00 0.00 O ATOM 1820 CB GLU A 120 1.599 -18.786 -8.461 1.00 0.00 C ATOM 1821 CG GLU A 120 0.806 -17.477 -8.464 1.00 0.00 C ATOM 1822 CD GLU A 120 0.210 -17.195 -9.836 1.00 0.00 C ATOM 1823 OE1 GLU A 120 1.030 -17.110 -10.789 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -1.038 -17.096 -9.981 1.00 0.00 O ATOM 0 H GLU A 120 3.122 -20.764 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 120 3.349 -18.383 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.252 -19.382 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.330 -19.330 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.009 -17.531 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 120 1.458 -16.654 -8.172 1.00 0.00 H new ATOM 1831 N VAL A 121 3.941 -18.073 -6.293 1.00 0.00 N ATOM 1832 CA VAL A 121 4.454 -17.187 -5.295 1.00 0.00 C ATOM 1833 C VAL A 121 5.841 -16.738 -5.604 1.00 0.00 C ATOM 1834 O VAL A 121 6.170 -15.560 -5.727 1.00 0.00 O ATOM 1835 CB VAL A 121 4.405 -17.838 -3.945 1.00 0.00 C ATOM 1836 CG1 VAL A 121 5.136 -17.013 -2.872 1.00 0.00 C ATOM 1837 CG2 VAL A 121 2.984 -18.000 -3.379 1.00 0.00 C ATOM 0 H VAL A 121 3.751 -19.007 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 121 3.819 -16.301 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 121 4.870 -18.806 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.072 -17.526 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.183 -16.897 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.672 -16.030 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.034 -18.478 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.518 -17.020 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.391 -18.617 -4.055 1.00 0.00 H new ATOM 1847 N ASP A 122 6.740 -17.716 -5.810 1.00 0.00 N ATOM 1848 CA ASP A 122 8.088 -17.517 -6.245 1.00 0.00 C ATOM 1849 C ASP A 122 8.319 -16.741 -7.496 1.00 0.00 C ATOM 1850 O ASP A 122 9.137 -15.832 -7.629 1.00 0.00 O ATOM 1851 CB ASP A 122 8.860 -18.834 -6.430 1.00 0.00 C ATOM 1852 CG ASP A 122 9.297 -19.335 -5.061 1.00 0.00 C ATOM 1853 OD1 ASP A 122 10.122 -18.630 -4.421 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.925 -20.418 -4.535 1.00 0.00 O ATOM 0 H ASP A 122 6.514 -18.700 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 122 8.450 -16.914 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.231 -19.576 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.728 -18.677 -7.071 1.00 0.00 H new ATOM 1859 N GLU A 123 7.400 -16.846 -8.472 1.00 0.00 N ATOM 1860 CA GLU A 123 7.288 -15.979 -9.604 1.00 0.00 C ATOM 1861 C GLU A 123 6.915 -14.574 -9.277 1.00 0.00 C ATOM 1862 O GLU A 123 7.587 -13.689 -9.805 1.00 0.00 O ATOM 1863 CB GLU A 123 6.222 -16.559 -10.548 1.00 0.00 C ATOM 1864 CG GLU A 123 6.078 -15.869 -11.906 1.00 0.00 C ATOM 1865 CD GLU A 123 5.203 -16.574 -12.933 1.00 0.00 C ATOM 1866 OE1 GLU A 123 5.346 -17.806 -13.157 1.00 0.00 O ATOM 1867 OE2 GLU A 123 4.407 -15.837 -13.573 1.00 0.00 O ATOM 0 H GLU A 123 6.693 -17.581 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 123 8.278 -15.933 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.452 -17.610 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.258 -16.522 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.674 -14.870 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.073 -15.744 -12.333 1.00 0.00 H new ATOM 1874 N MET A 124 5.974 -14.263 -8.368 1.00 0.00 N ATOM 1875 CA MET A 124 5.639 -12.944 -7.927 1.00 0.00 C ATOM 1876 C MET A 124 6.760 -12.347 -7.148 1.00 0.00 C ATOM 1877 O MET A 124 7.173 -11.217 -7.405 1.00 0.00 O ATOM 1878 CB MET A 124 4.331 -13.100 -7.134 1.00 0.00 C ATOM 1879 CG MET A 124 3.937 -11.993 -6.154 1.00 0.00 C ATOM 1880 SD MET A 124 4.601 -12.120 -4.466 1.00 0.00 S ATOM 1881 CE MET A 124 3.721 -13.577 -3.832 1.00 0.00 C ATOM 0 H MET A 124 5.411 -14.980 -7.911 1.00 0.00 H new ATOM 0 HA MET A 124 5.486 -12.244 -8.748 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.519 -13.212 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.392 -14.033 -6.574 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.255 -11.039 -6.574 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.849 -11.967 -6.090 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.804 -13.608 -2.746 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.670 -13.518 -4.114 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.160 -14.480 -4.255 1.00 0.00 H new ATOM 1891 N ILE A 125 7.453 -13.028 -6.217 1.00 0.00 N ATOM 1892 CA ILE A 125 8.690 -12.665 -5.599 1.00 0.00 C ATOM 1893 C ILE A 125 9.792 -12.383 -6.562 1.00 0.00 C ATOM 1894 O ILE A 125 10.359 -11.296 -6.462 1.00 0.00 O ATOM 1895 CB ILE A 125 9.181 -13.817 -4.774 1.00 0.00 C ATOM 1896 CG1 ILE A 125 8.169 -14.040 -3.637 1.00 0.00 C ATOM 1897 CG2 ILE A 125 10.543 -13.643 -4.082 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.262 -15.378 -2.904 1.00 0.00 C ATOM 0 H ILE A 125 7.110 -13.921 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 125 8.472 -11.763 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 125 9.292 -14.636 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 125 8.292 -13.240 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.164 -13.944 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.783 -14.545 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 125 11.313 -13.469 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.500 -12.791 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.500 -15.420 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.104 -16.192 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.249 -15.477 -2.452 1.00 0.00 H new ATOM 1910 N ARG A 126 10.019 -13.243 -7.570 1.00 0.00 N ATOM 1911 CA ARG A 126 10.906 -12.957 -8.655 1.00 0.00 C ATOM 1912 C ARG A 126 10.653 -11.696 -9.408 1.00 0.00 C ATOM 1913 O ARG A 126 11.536 -11.238 -10.133 1.00 0.00 O ATOM 1914 CB ARG A 126 10.942 -14.142 -9.634 1.00 0.00 C ATOM 1915 CG ARG A 126 11.717 -15.369 -9.150 1.00 0.00 C ATOM 1916 CD ARG A 126 11.368 -16.706 -9.808 1.00 0.00 C ATOM 1917 NE ARG A 126 12.540 -17.570 -9.493 1.00 0.00 N ATOM 1918 CZ ARG A 126 12.490 -18.889 -9.145 1.00 0.00 C ATOM 1919 NH1 ARG A 126 11.357 -19.618 -9.367 1.00 0.00 N ATOM 1920 NH2 ARG A 126 13.599 -19.602 -8.791 1.00 0.00 N ATOM 0 H ARG A 126 9.576 -14.159 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 126 11.871 -12.800 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.917 -14.443 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.381 -13.803 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.780 -15.182 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.562 -15.468 -8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.444 -17.122 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.227 -16.599 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 126 13.462 -17.137 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.543 -19.177 -9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.325 -20.603 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.513 -19.150 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.513 -20.586 -8.538 1.00 0.00 H new ATOM 1934 N GLU A 127 9.405 -11.216 -9.552 1.00 0.00 N ATOM 1935 CA GLU A 127 9.182 -9.966 -10.209 1.00 0.00 C ATOM 1936 C GLU A 127 9.279 -8.867 -9.208 1.00 0.00 C ATOM 1937 O GLU A 127 9.765 -7.782 -9.522 1.00 0.00 O ATOM 1938 CB GLU A 127 7.812 -10.006 -10.906 1.00 0.00 C ATOM 1939 CG GLU A 127 7.455 -8.745 -11.696 1.00 0.00 C ATOM 1940 CD GLU A 127 6.274 -8.926 -12.638 1.00 0.00 C ATOM 1941 OE1 GLU A 127 6.323 -9.869 -13.471 1.00 0.00 O ATOM 1942 OE2 GLU A 127 5.339 -8.089 -12.517 1.00 0.00 O ATOM 0 H GLU A 127 8.562 -11.685 -9.219 1.00 0.00 H new ATOM 0 HA GLU A 127 9.937 -9.783 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.790 -10.860 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.042 -10.176 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.230 -7.940 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 127 8.324 -8.431 -12.274 1.00 0.00 H new ATOM 1949 N ALA A 128 9.104 -9.162 -7.907 1.00 0.00 N ATOM 1950 CA ALA A 128 9.213 -8.260 -6.803 1.00 0.00 C ATOM 1951 C ALA A 128 10.599 -7.827 -6.469 1.00 0.00 C ATOM 1952 O ALA A 128 10.815 -6.670 -6.114 1.00 0.00 O ATOM 1953 CB ALA A 128 8.411 -8.739 -5.581 1.00 0.00 C ATOM 0 H ALA A 128 8.867 -10.107 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 128 8.743 -7.340 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 128 8.524 -8.022 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.357 -8.822 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.782 -9.712 -5.261 1.00 0.00 H new ATOM 1959 N ASP A 129 11.579 -8.718 -6.707 1.00 0.00 N ATOM 1960 CA ASP A 129 12.932 -8.448 -6.330 1.00 0.00 C ATOM 1961 C ASP A 129 13.742 -7.956 -7.479 1.00 0.00 C ATOM 1962 O ASP A 129 13.779 -8.532 -8.565 1.00 0.00 O ATOM 1963 CB ASP A 129 13.625 -9.669 -5.703 1.00 0.00 C ATOM 1964 CG ASP A 129 14.746 -9.295 -4.744 1.00 0.00 C ATOM 1965 OD1 ASP A 129 15.725 -8.683 -5.249 1.00 0.00 O ATOM 1966 OD2 ASP A 129 14.745 -9.718 -3.557 1.00 0.00 O ATOM 0 H ASP A 129 11.435 -9.621 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 129 12.874 -7.663 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.884 -10.266 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 129 14.029 -10.297 -6.497 1.00 0.00 H new ATOM 1971 N ILE A 130 14.351 -6.773 -7.279 1.00 0.00 N ATOM 1972 CA ILE A 130 15.136 -6.064 -8.241 1.00 0.00 C ATOM 1973 C ILE A 130 16.476 -6.687 -8.427 1.00 0.00 C ATOM 1974 O ILE A 130 16.901 -6.876 -9.566 1.00 0.00 O ATOM 1975 CB ILE A 130 15.088 -4.579 -8.034 1.00 0.00 C ATOM 1976 CG1 ILE A 130 13.594 -4.222 -8.107 1.00 0.00 C ATOM 1977 CG2 ILE A 130 15.940 -3.873 -9.103 1.00 0.00 C ATOM 1978 CD1 ILE A 130 12.919 -4.258 -9.477 1.00 0.00 C ATOM 0 H ILE A 130 14.290 -6.281 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 130 14.679 -6.173 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 130 15.506 -4.255 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.054 -4.904 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 130 13.469 -3.219 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.900 -2.795 -8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 130 16.973 -4.213 -9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 130 15.551 -4.110 -10.093 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.869 -3.984 -9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.413 -3.553 -10.145 1.00 0.00 H new ATOM 0 HD13 ILE A 130 12.992 -5.263 -9.892 1.00 0.00 H new ATOM 1990 N ASP A 131 17.174 -6.953 -7.309 1.00 0.00 N ATOM 1991 CA ASP A 131 18.465 -7.568 -7.325 1.00 0.00 C ATOM 1992 C ASP A 131 18.312 -8.972 -7.800 1.00 0.00 C ATOM 1993 O ASP A 131 19.061 -9.381 -8.686 1.00 0.00 O ATOM 1994 CB ASP A 131 19.104 -7.574 -5.926 1.00 0.00 C ATOM 1995 CG ASP A 131 18.863 -6.236 -5.241 1.00 0.00 C ATOM 1996 OD1 ASP A 131 19.557 -5.212 -5.480 1.00 0.00 O ATOM 1997 OD2 ASP A 131 17.865 -6.135 -4.479 1.00 0.00 O ATOM 0 H ASP A 131 16.834 -6.736 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 131 19.116 -6.999 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 131 18.681 -8.381 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 131 20.174 -7.764 -6.006 1.00 0.00 H new ATOM 2002 N GLY A 132 17.395 -9.788 -7.249 1.00 0.00 N ATOM 2003 CA GLY A 132 17.399 -11.212 -7.380 1.00 0.00 C ATOM 2004 C GLY A 132 18.250 -11.780 -6.297 1.00 0.00 C ATOM 2005 O GLY A 132 18.737 -12.902 -6.423 1.00 0.00 O ATOM 0 H GLY A 132 16.617 -9.440 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 132 16.384 -11.602 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 132 17.785 -11.502 -8.357 1.00 0.00 H new ATOM 2009 N ASP A 133 18.307 -11.048 -5.170 1.00 0.00 N ATOM 2010 CA ASP A 133 19.113 -11.528 -4.090 1.00 0.00 C ATOM 2011 C ASP A 133 18.383 -12.490 -3.218 1.00 0.00 C ATOM 2012 O ASP A 133 18.897 -13.497 -2.731 1.00 0.00 O ATOM 2013 CB ASP A 133 19.863 -10.338 -3.468 1.00 0.00 C ATOM 2014 CG ASP A 133 19.030 -9.364 -2.647 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.841 -9.179 -3.023 1.00 0.00 O ATOM 2016 OD2 ASP A 133 19.579 -8.784 -1.673 1.00 0.00 O ATOM 0 H ASP A 133 17.821 -10.166 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 133 19.916 -12.186 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 133 20.656 -10.730 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 133 20.345 -9.781 -4.271 1.00 0.00 H new ATOM 2021 N GLY A 134 17.110 -12.140 -2.960 1.00 0.00 N ATOM 2022 CA GLY A 134 16.286 -12.836 -2.021 1.00 0.00 C ATOM 2023 C GLY A 134 15.669 -12.144 -0.855 1.00 0.00 C ATOM 2024 O GLY A 134 15.097 -12.721 0.068 1.00 0.00 O ATOM 0 H GLY A 134 16.643 -11.355 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.471 -13.285 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 134 16.885 -13.654 -1.621 1.00 0.00 H new ATOM 2028 N GLN A 135 15.795 -10.805 -0.886 1.00 0.00 N ATOM 2029 CA GLN A 135 15.061 -9.999 0.039 1.00 0.00 C ATOM 2030 C GLN A 135 14.687 -8.640 -0.444 1.00 0.00 C ATOM 2031 O GLN A 135 15.447 -7.940 -1.112 1.00 0.00 O ATOM 2032 CB GLN A 135 16.007 -9.900 1.247 1.00 0.00 C ATOM 2033 CG GLN A 135 17.389 -9.307 0.964 1.00 0.00 C ATOM 2034 CD GLN A 135 18.275 -9.193 2.196 1.00 0.00 C ATOM 2035 OE1 GLN A 135 17.923 -9.590 3.306 1.00 0.00 O ATOM 2036 NE2 GLN A 135 19.422 -8.518 1.919 1.00 0.00 N ATOM 0 H GLN A 135 16.390 -10.290 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 135 14.092 -10.455 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 135 15.523 -9.296 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 135 16.139 -10.898 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 135 17.894 -9.925 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 135 17.266 -8.317 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 135 19.626 -8.230 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 135 20.079 -8.300 2.668 1.00 0.00 H new ATOM 2045 N VAL A 136 13.467 -8.183 -0.108 1.00 0.00 N ATOM 2046 CA VAL A 136 12.803 -7.010 -0.584 1.00 0.00 C ATOM 2047 C VAL A 136 13.156 -5.863 0.298 1.00 0.00 C ATOM 2048 O VAL A 136 12.986 -5.998 1.509 1.00 0.00 O ATOM 2049 CB VAL A 136 11.327 -7.228 -0.735 1.00 0.00 C ATOM 2050 CG1 VAL A 136 10.409 -5.995 -0.781 1.00 0.00 C ATOM 2051 CG2 VAL A 136 11.218 -8.033 -2.041 1.00 0.00 C ATOM 0 H VAL A 136 12.890 -8.688 0.565 1.00 0.00 H new ATOM 0 HA VAL A 136 13.148 -6.771 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 136 10.960 -7.719 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.373 -6.316 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.515 -5.428 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.687 -5.366 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 136 10.170 -8.249 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 136 11.639 -7.453 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 136 11.768 -8.968 -1.939 1.00 0.00 H new ATOM 2061 N ASN A 137 13.580 -4.711 -0.253 1.00 0.00 N ATOM 2062 CA ASN A 137 13.693 -3.564 0.594 1.00 0.00 C ATOM 2063 C ASN A 137 12.543 -2.648 0.352 1.00 0.00 C ATOM 2064 O ASN A 137 11.619 -2.992 -0.383 1.00 0.00 O ATOM 2065 CB ASN A 137 15.002 -2.787 0.376 1.00 0.00 C ATOM 2066 CG ASN A 137 15.333 -2.374 -1.051 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.604 -1.573 -1.635 1.00 0.00 O ATOM 2068 ND2 ASN A 137 16.538 -2.777 -1.537 1.00 0.00 N ATOM 0 H ASN A 137 13.833 -4.574 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 137 13.693 -3.929 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.967 -1.887 0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 137 15.824 -3.397 0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.877 -2.412 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.103 -3.444 -1.011 1.00 0.00 H new ATOM 2075 N TYR A 138 12.544 -1.436 0.934 1.00 0.00 N ATOM 2076 CA TYR A 138 11.433 -0.537 0.889 1.00 0.00 C ATOM 2077 C TYR A 138 11.307 -0.025 -0.504 1.00 0.00 C ATOM 2078 O TYR A 138 10.172 0.010 -0.979 1.00 0.00 O ATOM 2079 CB TYR A 138 11.561 0.593 1.924 1.00 0.00 C ATOM 2080 CG TYR A 138 10.498 1.628 1.782 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.185 1.255 1.621 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.909 2.924 1.572 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.261 2.168 1.171 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.994 3.871 1.177 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.691 3.465 1.014 1.00 0.00 C ATOM 2086 OH TYR A 138 7.729 4.422 0.626 1.00 0.00 O ATOM 0 H TYR A 138 13.343 -1.070 1.452 1.00 0.00 H new ATOM 0 HA TYR A 138 10.520 -1.067 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.517 0.168 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.538 1.065 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.879 0.244 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.944 3.196 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.244 1.880 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.288 4.895 1.001 1.00 0.00 H new ATOM 0 HH TYR A 138 8.155 5.301 0.549 1.00 0.00 H new ATOM 2096 N GLU A 139 12.416 0.242 -1.217 1.00 0.00 N ATOM 2097 CA GLU A 139 12.329 0.785 -2.537 1.00 0.00 C ATOM 2098 C GLU A 139 11.811 -0.124 -3.598 1.00 0.00 C ATOM 2099 O GLU A 139 11.112 0.346 -4.494 1.00 0.00 O ATOM 2100 CB GLU A 139 13.710 1.412 -2.793 1.00 0.00 C ATOM 2101 CG GLU A 139 13.730 2.494 -3.874 1.00 0.00 C ATOM 2102 CD GLU A 139 15.054 3.234 -4.007 1.00 0.00 C ATOM 2103 OE1 GLU A 139 16.133 2.637 -4.265 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.061 4.486 -3.869 1.00 0.00 O ATOM 0 H GLU A 139 13.366 0.083 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 139 11.541 1.536 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.077 1.842 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.406 0.622 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.487 2.036 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.944 3.218 -3.659 1.00 0.00 H new ATOM 2111 N GLU A 140 12.048 -1.427 -3.365 1.00 0.00 N ATOM 2112 CA GLU A 140 11.497 -2.533 -4.085 1.00 0.00 C ATOM 2113 C GLU A 140 10.025 -2.640 -3.882 1.00 0.00 C ATOM 2114 O GLU A 140 9.225 -2.795 -4.804 1.00 0.00 O ATOM 2115 CB GLU A 140 12.211 -3.835 -3.686 1.00 0.00 C ATOM 2116 CG GLU A 140 13.632 -3.833 -4.255 1.00 0.00 C ATOM 2117 CD GLU A 140 14.434 -5.068 -3.872 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.895 -5.192 -2.706 1.00 0.00 O ATOM 2119 OE2 GLU A 140 14.749 -5.939 -4.727 1.00 0.00 O ATOM 0 H GLU A 140 12.672 -1.729 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 140 11.661 -2.361 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 140 12.243 -3.927 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.658 -4.696 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.581 -3.764 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.156 -2.944 -3.903 1.00 0.00 H new ATOM 2126 N PHE A 141 9.626 -2.466 -2.609 1.00 0.00 N ATOM 2127 CA PHE A 141 8.251 -2.456 -2.219 1.00 0.00 C ATOM 2128 C PHE A 141 7.418 -1.319 -2.703 1.00 0.00 C ATOM 2129 O PHE A 141 6.210 -1.501 -2.849 1.00 0.00 O ATOM 2130 CB PHE A 141 8.196 -2.565 -0.686 1.00 0.00 C ATOM 2131 CG PHE A 141 6.841 -2.617 -0.067 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.228 -3.832 0.127 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.299 -1.501 0.524 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.027 -3.944 0.787 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.134 -1.603 1.249 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.474 -2.807 1.326 1.00 0.00 C ATOM 0 H PHE A 141 10.274 -2.329 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 141 7.793 -3.311 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.741 -3.461 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.730 -1.713 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.704 -4.725 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.788 -0.544 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.532 -4.899 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.738 -0.737 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.512 -2.860 1.815 1.00 0.00 H new ATOM 2146 N VAL A 142 7.977 -0.114 -2.918 1.00 0.00 N ATOM 2147 CA VAL A 142 7.322 0.975 -3.574 1.00 0.00 C ATOM 2148 C VAL A 142 6.766 0.600 -4.904 1.00 0.00 C ATOM 2149 O VAL A 142 5.593 0.848 -5.181 1.00 0.00 O ATOM 2150 CB VAL A 142 8.275 2.111 -3.797 1.00 0.00 C ATOM 2151 CG1 VAL A 142 7.585 3.310 -4.469 1.00 0.00 C ATOM 2152 CG2 VAL A 142 8.825 2.753 -2.511 1.00 0.00 C ATOM 0 H VAL A 142 8.927 0.111 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 142 6.505 1.265 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 142 9.059 1.637 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.309 4.112 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.184 3.004 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 142 6.772 3.664 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.505 3.564 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.999 3.147 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.361 2.003 -1.930 1.00 0.00 H new ATOM 2162 N GLN A 143 7.591 -0.003 -5.778 1.00 0.00 N ATOM 2163 CA GLN A 143 7.326 -0.518 -7.085 1.00 0.00 C ATOM 2164 C GLN A 143 6.229 -1.525 -7.127 1.00 0.00 C ATOM 2165 O GLN A 143 5.313 -1.521 -7.948 1.00 0.00 O ATOM 2166 CB GLN A 143 8.586 -1.063 -7.778 1.00 0.00 C ATOM 2167 CG GLN A 143 8.421 -1.414 -9.258 1.00 0.00 C ATOM 2168 CD GLN A 143 8.392 -0.133 -10.080 1.00 0.00 C ATOM 2169 OE1 GLN A 143 9.219 0.758 -9.888 1.00 0.00 O ATOM 2170 NE2 GLN A 143 7.346 -0.026 -10.942 1.00 0.00 N ATOM 0 H GLN A 143 8.570 -0.146 -5.531 1.00 0.00 H new ATOM 0 HA GLN A 143 6.979 0.348 -7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.381 -0.323 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.916 -1.955 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.242 -2.051 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.500 -1.977 -9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.696 -0.804 -11.054 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.211 0.832 -11.477 1.00 0.00 H new ATOM 2179 N MET A 144 6.193 -2.385 -6.093 1.00 0.00 N ATOM 2180 CA MET A 144 5.133 -3.323 -5.892 1.00 0.00 C ATOM 2181 C MET A 144 3.793 -2.771 -5.545 1.00 0.00 C ATOM 2182 O MET A 144 2.777 -3.304 -5.988 1.00 0.00 O ATOM 2183 CB MET A 144 5.329 -4.257 -4.686 1.00 0.00 C ATOM 2184 CG MET A 144 6.527 -5.192 -4.868 1.00 0.00 C ATOM 2185 SD MET A 144 7.232 -5.828 -3.318 1.00 0.00 S ATOM 2186 CE MET A 144 5.683 -6.436 -2.591 1.00 0.00 C ATOM 0 H MET A 144 6.920 -2.429 -5.379 1.00 0.00 H new ATOM 0 HA MET A 144 5.167 -3.793 -6.875 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.470 -3.660 -3.785 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.427 -4.850 -4.537 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.222 -6.036 -5.486 1.00 0.00 H new ATOM 0 HG3 MET A 144 7.306 -4.661 -5.415 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.896 -7.279 -1.934 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.213 -5.638 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.009 -6.756 -3.386 1.00 0.00 H new ATOM 2196 N MET A 145 3.807 -1.755 -4.663 1.00 0.00 N ATOM 2197 CA MET A 145 2.573 -1.123 -4.315 1.00 0.00 C ATOM 2198 C MET A 145 2.100 -0.248 -5.424 1.00 0.00 C ATOM 2199 O MET A 145 0.914 -0.279 -5.746 1.00 0.00 O ATOM 2200 CB MET A 145 2.714 -0.488 -2.921 1.00 0.00 C ATOM 2201 CG MET A 145 2.981 -1.502 -1.807 1.00 0.00 C ATOM 2202 SD MET A 145 1.453 -2.102 -1.026 1.00 0.00 S ATOM 2203 CE MET A 145 1.052 -3.614 -1.948 1.00 0.00 C ATOM 0 H MET A 145 4.639 -1.382 -4.206 1.00 0.00 H new ATOM 0 HA MET A 145 1.757 -1.838 -4.210 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.527 0.237 -2.943 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.802 0.062 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.532 -2.349 -2.216 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.617 -1.044 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.393 -4.242 -1.348 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.553 -3.350 -2.880 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.970 -4.159 -2.170 1.00 0.00 H new