USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -0.219 K(o=-0.22,f=-1.5) USER MOD Set 2.2: A 111 ASN : amide:sc= 0 K(o=-0.22,f=-1.1) USER MOD Set 3.1: A 60 ASN : amide:sc= 1.02 K(o=2.2,f=-0.88) USER MOD Set 3.2: A 62 THR OG1 : rot -70:sc= 1.2 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0.0171 USER MOD Set 4.2: A 30 LYS NZ :NH3+ 157:sc= 0.0154 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 62:sc= 0.755 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.208 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.991 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -69:sc= 1.14 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 169:sc= -0.689 (180deg=-1.11) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -177:sc=-0.00117 (180deg=-0.0108) USER MOD Single : A 72 MET CE :methyl -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.39 K(o=0.39,f=-4.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -84:sc= 0.733 USER MOD Single : A 110 THR OG1 : rot -2:sc= 0.247 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -65:sc= 0.433 USER MOD Single : A 135 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.039) USER MOD Single : A 137 ASN : amide:sc= -0.964 K(o=-0.96,f=-8.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.0042) USER MOD Single : A 144 MET CE :methyl -126:sc= -0.182 (180deg=-0.829) USER MOD Single : A 145 MET CE :methyl 175:sc= 0 (180deg=-0.0694) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.921 18.137 2.485 1.00 0.00 N ATOM 59 CA THR A 5 -15.089 19.183 1.524 1.00 0.00 C ATOM 60 C THR A 5 -15.965 18.512 0.523 1.00 0.00 C ATOM 61 O THR A 5 -16.029 17.283 0.500 1.00 0.00 O ATOM 62 CB THR A 5 -13.918 19.615 0.694 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.185 18.622 -0.009 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.963 20.457 1.557 1.00 0.00 C ATOM 0 HA THR A 5 -15.398 20.071 2.075 1.00 0.00 H new ATOM 0 HB THR A 5 -14.380 20.186 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.454 19.045 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.111 20.772 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.489 21.336 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.612 19.860 2.399 1.00 0.00 H new ATOM 72 N GLU A 6 -16.673 19.274 -0.329 1.00 0.00 N ATOM 73 CA GLU A 6 -17.523 18.786 -1.370 1.00 0.00 C ATOM 74 C GLU A 6 -16.910 17.907 -2.406 1.00 0.00 C ATOM 75 O GLU A 6 -17.513 16.885 -2.727 1.00 0.00 O ATOM 76 CB GLU A 6 -18.127 20.040 -2.024 1.00 0.00 C ATOM 77 CG GLU A 6 -19.150 19.717 -3.115 1.00 0.00 C ATOM 78 CD GLU A 6 -19.662 20.840 -4.006 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.141 21.889 -3.498 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.653 20.751 -5.263 1.00 0.00 O ATOM 0 H GLU A 6 -16.650 20.293 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.247 18.116 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.604 20.648 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.325 20.640 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.711 18.958 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.014 19.262 -2.631 1.00 0.00 H new ATOM 87 N GLU A 7 -15.678 18.191 -2.865 1.00 0.00 N ATOM 88 CA GLU A 7 -14.900 17.360 -3.730 1.00 0.00 C ATOM 89 C GLU A 7 -14.643 16.009 -3.157 1.00 0.00 C ATOM 90 O GLU A 7 -14.697 14.989 -3.843 1.00 0.00 O ATOM 91 CB GLU A 7 -13.522 18.019 -3.904 1.00 0.00 C ATOM 92 CG GLU A 7 -13.624 19.330 -4.687 1.00 0.00 C ATOM 93 CD GLU A 7 -12.334 20.129 -4.579 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.322 19.660 -3.991 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.351 21.292 -5.062 1.00 0.00 O ATOM 0 H GLU A 7 -15.196 19.055 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.457 17.251 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.083 18.212 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.853 17.334 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.838 19.117 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.456 19.922 -4.306 1.00 0.00 H new ATOM 102 N GLN A 8 -14.397 15.946 -1.836 1.00 0.00 N ATOM 103 CA GLN A 8 -14.158 14.724 -1.133 1.00 0.00 C ATOM 104 C GLN A 8 -15.412 13.949 -0.916 1.00 0.00 C ATOM 105 O GLN A 8 -15.475 12.735 -1.107 1.00 0.00 O ATOM 106 CB GLN A 8 -13.404 14.940 0.190 1.00 0.00 C ATOM 107 CG GLN A 8 -11.996 15.483 -0.062 1.00 0.00 C ATOM 108 CD GLN A 8 -11.510 16.086 1.248 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.199 16.011 2.264 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.275 16.650 1.181 1.00 0.00 N ATOM 0 H GLN A 8 -14.363 16.772 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.509 14.130 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.959 15.636 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.342 13.998 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.329 14.686 -0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.008 16.235 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.771 16.670 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.852 17.053 2.017 1.00 0.00 H new ATOM 119 N ILE A 9 -16.544 14.593 -0.580 1.00 0.00 N ATOM 120 CA ILE A 9 -17.847 14.005 -0.590 1.00 0.00 C ATOM 121 C ILE A 9 -18.150 13.503 -1.960 1.00 0.00 C ATOM 122 O ILE A 9 -18.591 12.367 -2.126 1.00 0.00 O ATOM 123 CB ILE A 9 -19.018 14.774 -0.054 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.661 15.294 1.349 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.264 13.880 0.051 1.00 0.00 C ATOM 126 CD1 ILE A 9 -19.607 16.368 1.884 1.00 0.00 C ATOM 0 H ILE A 9 -16.550 15.570 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.750 13.216 0.156 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.238 15.598 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.655 14.454 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.649 15.697 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -21.098 14.463 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.521 13.497 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.058 13.046 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -19.282 16.677 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.597 17.228 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -20.618 15.966 1.942 1.00 0.00 H new ATOM 138 N ALA A 10 -17.885 14.258 -3.041 1.00 0.00 N ATOM 139 CA ALA A 10 -18.086 13.782 -4.374 1.00 0.00 C ATOM 140 C ALA A 10 -17.329 12.533 -4.669 1.00 0.00 C ATOM 141 O ALA A 10 -17.886 11.563 -5.180 1.00 0.00 O ATOM 142 CB ALA A 10 -17.625 14.792 -5.439 1.00 0.00 C ATOM 0 H ALA A 10 -17.526 15.212 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.161 13.611 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.801 14.379 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.186 15.720 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.561 14.994 -5.313 1.00 0.00 H new ATOM 148 N GLU A 11 -16.056 12.384 -4.263 1.00 0.00 N ATOM 149 CA GLU A 11 -15.211 11.248 -4.469 1.00 0.00 C ATOM 150 C GLU A 11 -15.701 10.025 -3.773 1.00 0.00 C ATOM 151 O GLU A 11 -15.646 8.925 -4.321 1.00 0.00 O ATOM 152 CB GLU A 11 -13.725 11.402 -4.106 1.00 0.00 C ATOM 153 CG GLU A 11 -13.034 12.396 -5.041 1.00 0.00 C ATOM 154 CD GLU A 11 -12.742 11.885 -6.444 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.526 10.659 -6.640 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.600 12.778 -7.323 1.00 0.00 O ATOM 0 H GLU A 11 -15.578 13.122 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.271 11.154 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.632 11.742 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.229 10.433 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.658 13.286 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.094 12.705 -4.583 1.00 0.00 H new ATOM 163 N PHE A 12 -16.144 10.165 -2.511 1.00 0.00 N ATOM 164 CA PHE A 12 -16.842 9.137 -1.802 1.00 0.00 C ATOM 165 C PHE A 12 -18.153 8.662 -2.327 1.00 0.00 C ATOM 166 O PHE A 12 -18.440 7.467 -2.276 1.00 0.00 O ATOM 167 CB PHE A 12 -16.856 9.446 -0.296 1.00 0.00 C ATOM 168 CG PHE A 12 -15.511 9.475 0.343 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.661 8.396 0.399 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.122 10.636 0.969 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.465 8.429 1.078 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.878 10.760 1.541 1.00 0.00 C ATOM 173 CZ PHE A 12 -13.092 9.634 1.624 1.00 0.00 C ATOM 0 H PHE A 12 -16.013 11.018 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.247 8.245 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.338 10.411 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.468 8.699 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.943 7.486 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.809 11.468 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.848 7.549 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.529 11.712 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.145 9.699 2.138 1.00 0.00 H new ATOM 183 N LYS A 13 -19.053 9.548 -2.791 1.00 0.00 N ATOM 184 CA LYS A 13 -20.247 9.271 -3.526 1.00 0.00 C ATOM 185 C LYS A 13 -20.040 8.577 -4.829 1.00 0.00 C ATOM 186 O LYS A 13 -20.588 7.519 -5.135 1.00 0.00 O ATOM 187 CB LYS A 13 -21.070 10.558 -3.708 1.00 0.00 C ATOM 188 CG LYS A 13 -22.331 10.409 -4.562 1.00 0.00 C ATOM 189 CD LYS A 13 -23.305 11.564 -4.321 1.00 0.00 C ATOM 190 CE LYS A 13 -22.893 12.969 -4.768 1.00 0.00 C ATOM 191 NZ LYS A 13 -22.875 13.051 -6.245 1.00 0.00 N ATOM 0 H LYS A 13 -18.931 10.549 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.803 8.556 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.358 10.928 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.432 11.318 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.057 10.376 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.820 9.463 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.242 11.318 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.515 11.604 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.588 13.705 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.907 13.210 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -22.594 14.009 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -22.195 12.361 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.824 12.841 -6.616 1.00 0.00 H new ATOM 205 N GLU A 14 -19.070 9.042 -5.635 1.00 0.00 N ATOM 206 CA GLU A 14 -18.776 8.453 -6.904 1.00 0.00 C ATOM 207 C GLU A 14 -18.299 7.042 -6.879 1.00 0.00 C ATOM 208 O GLU A 14 -18.838 6.122 -7.493 1.00 0.00 O ATOM 209 CB GLU A 14 -17.697 9.321 -7.575 1.00 0.00 C ATOM 210 CG GLU A 14 -17.421 9.098 -9.063 1.00 0.00 C ATOM 211 CD GLU A 14 -18.628 9.437 -9.926 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.787 10.670 -10.126 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.279 8.526 -10.505 1.00 0.00 O ATOM 0 H GLU A 14 -18.480 9.840 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.721 8.420 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.977 10.366 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -16.762 9.169 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.573 9.710 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.139 8.058 -9.227 1.00 0.00 H new ATOM 220 N ALA A 15 -17.279 6.854 -6.022 1.00 0.00 N ATOM 221 CA ALA A 15 -16.708 5.567 -5.776 1.00 0.00 C ATOM 222 C ALA A 15 -17.717 4.596 -5.266 1.00 0.00 C ATOM 223 O ALA A 15 -17.608 3.420 -5.610 1.00 0.00 O ATOM 224 CB ALA A 15 -15.484 5.652 -4.848 1.00 0.00 C ATOM 0 H ALA A 15 -16.844 7.609 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.359 5.189 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.080 4.653 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.722 6.282 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.782 6.082 -3.892 1.00 0.00 H new ATOM 230 N PHE A 16 -18.745 5.015 -4.506 1.00 0.00 N ATOM 231 CA PHE A 16 -19.919 4.290 -4.132 1.00 0.00 C ATOM 232 C PHE A 16 -20.727 3.837 -5.299 1.00 0.00 C ATOM 233 O PHE A 16 -21.187 2.701 -5.398 1.00 0.00 O ATOM 234 CB PHE A 16 -20.705 5.098 -3.086 1.00 0.00 C ATOM 235 CG PHE A 16 -21.540 4.218 -2.221 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.722 3.660 -2.647 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.083 3.830 -0.984 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.406 2.739 -1.888 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.698 2.821 -0.279 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.916 2.319 -0.674 1.00 0.00 C ATOM 0 H PHE A 16 -18.751 5.957 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.620 3.353 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.010 5.663 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.343 5.823 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.125 3.953 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.224 4.327 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.342 2.340 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.216 2.417 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.465 1.624 -0.056 1.00 0.00 H new ATOM 250 N SER A 17 -21.018 4.747 -6.246 1.00 0.00 N ATOM 251 CA SER A 17 -21.933 4.585 -7.333 1.00 0.00 C ATOM 252 C SER A 17 -21.517 3.626 -8.394 1.00 0.00 C ATOM 253 O SER A 17 -22.262 2.811 -8.935 1.00 0.00 O ATOM 254 CB SER A 17 -22.230 5.937 -8.004 1.00 0.00 C ATOM 255 OG SER A 17 -22.649 6.931 -7.081 1.00 0.00 O ATOM 0 H SER A 17 -20.578 5.667 -6.250 1.00 0.00 H new ATOM 0 HA SER A 17 -22.818 4.160 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.336 6.284 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 17 -23.004 5.800 -8.759 1.00 0.00 H new ATOM 0 HG SER A 17 -21.930 7.104 -6.438 1.00 0.00 H new ATOM 261 N LEU A 18 -20.200 3.624 -8.665 1.00 0.00 N ATOM 262 CA LEU A 18 -19.518 2.656 -9.466 1.00 0.00 C ATOM 263 C LEU A 18 -19.560 1.312 -8.823 1.00 0.00 C ATOM 264 O LEU A 18 -19.721 0.304 -9.509 1.00 0.00 O ATOM 265 CB LEU A 18 -18.074 3.072 -9.794 1.00 0.00 C ATOM 266 CG LEU A 18 -17.924 4.425 -10.509 1.00 0.00 C ATOM 267 CD1 LEU A 18 -16.549 5.053 -10.229 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.245 4.277 -12.006 1.00 0.00 C ATOM 0 H LEU A 18 -19.574 4.343 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.048 2.600 -10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.504 3.106 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.624 2.299 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.652 5.128 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.473 6.009 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.433 5.212 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.765 4.384 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.135 5.243 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.559 3.559 -12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.269 3.924 -12.125 1.00 0.00 H new ATOM 280 N PHE A 19 -19.409 1.167 -7.494 1.00 0.00 N ATOM 281 CA PHE A 19 -19.429 -0.033 -6.718 1.00 0.00 C ATOM 282 C PHE A 19 -20.776 -0.663 -6.621 1.00 0.00 C ATOM 283 O PHE A 19 -20.890 -1.879 -6.770 1.00 0.00 O ATOM 284 CB PHE A 19 -18.944 0.146 -5.269 1.00 0.00 C ATOM 285 CG PHE A 19 -18.120 -1.021 -4.848 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.727 -2.151 -4.352 1.00 0.00 C ATOM 287 CD2 PHE A 19 -16.749 -0.965 -4.754 1.00 0.00 C ATOM 288 CE1 PHE A 19 -18.001 -3.207 -3.855 1.00 0.00 C ATOM 289 CE2 PHE A 19 -15.992 -2.022 -4.308 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.628 -3.176 -3.916 1.00 0.00 C ATOM 0 H PHE A 19 -19.256 1.983 -6.902 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.741 -0.671 -7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.358 1.061 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.800 0.254 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.805 -2.210 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -16.247 -0.053 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.506 -4.056 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.915 -1.947 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.053 -4.053 -3.658 1.00 0.00 H new ATOM 300 N ASP A 20 -21.859 0.073 -6.316 1.00 0.00 N ATOM 301 CA ASP A 20 -23.191 -0.377 -6.056 1.00 0.00 C ATOM 302 C ASP A 20 -23.986 -0.303 -7.315 1.00 0.00 C ATOM 303 O ASP A 20 -24.297 0.778 -7.812 1.00 0.00 O ATOM 304 CB ASP A 20 -23.829 0.286 -4.824 1.00 0.00 C ATOM 305 CG ASP A 20 -24.925 -0.578 -4.216 1.00 0.00 C ATOM 306 OD1 ASP A 20 -25.732 -1.192 -4.963 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.198 -0.545 -2.986 1.00 0.00 O ATOM 0 H ASP A 20 -21.792 1.088 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.169 -1.426 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.060 0.476 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.245 1.253 -5.107 1.00 0.00 H new ATOM 312 N LYS A 21 -24.490 -1.417 -7.874 1.00 0.00 N ATOM 313 CA LYS A 21 -25.324 -1.537 -9.029 1.00 0.00 C ATOM 314 C LYS A 21 -26.754 -1.345 -8.658 1.00 0.00 C ATOM 315 O LYS A 21 -27.449 -0.636 -9.383 1.00 0.00 O ATOM 316 CB LYS A 21 -25.213 -2.926 -9.680 1.00 0.00 C ATOM 317 CG LYS A 21 -23.834 -3.196 -10.284 1.00 0.00 C ATOM 318 CD LYS A 21 -23.876 -4.100 -11.518 1.00 0.00 C ATOM 319 CE LYS A 21 -22.717 -3.866 -12.489 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.616 -5.012 -13.419 1.00 0.00 N ATOM 0 H LYS A 21 -24.289 -2.332 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.987 -0.773 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.432 -3.689 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.969 -3.017 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.372 -2.246 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -23.198 -3.656 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.864 -5.141 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.817 -3.940 -12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.876 -2.943 -13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.784 -3.748 -11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.829 -4.854 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.445 -5.884 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.503 -5.104 -13.954 1.00 0.00 H new ATOM 334 N ASP A 22 -27.304 -1.937 -7.582 1.00 0.00 N ATOM 335 CA ASP A 22 -28.678 -1.816 -7.205 1.00 0.00 C ATOM 336 C ASP A 22 -29.086 -0.445 -6.790 1.00 0.00 C ATOM 337 O ASP A 22 -30.114 0.083 -7.210 1.00 0.00 O ATOM 338 CB ASP A 22 -29.309 -2.877 -6.287 1.00 0.00 C ATOM 339 CG ASP A 22 -28.593 -2.949 -4.946 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.849 -2.099 -4.052 1.00 0.00 O ATOM 341 OD2 ASP A 22 -27.792 -3.886 -4.688 1.00 0.00 O ATOM 0 H ASP A 22 -26.766 -2.526 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.117 -2.048 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.361 -2.642 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.270 -3.851 -6.774 1.00 0.00 H new ATOM 346 N GLY A 23 -28.176 0.217 -6.053 1.00 0.00 N ATOM 347 CA GLY A 23 -28.304 1.584 -5.651 1.00 0.00 C ATOM 348 C GLY A 23 -29.229 1.815 -4.506 1.00 0.00 C ATOM 349 O GLY A 23 -29.898 2.840 -4.385 1.00 0.00 O ATOM 0 H GLY A 23 -27.315 -0.219 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.317 1.964 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -28.651 2.168 -6.504 1.00 0.00 H new ATOM 353 N ASP A 24 -29.198 0.924 -3.499 1.00 0.00 N ATOM 354 CA ASP A 24 -29.900 1.090 -2.265 1.00 0.00 C ATOM 355 C ASP A 24 -29.171 1.985 -1.322 1.00 0.00 C ATOM 356 O ASP A 24 -29.836 2.650 -0.530 1.00 0.00 O ATOM 357 CB ASP A 24 -30.263 -0.182 -1.480 1.00 0.00 C ATOM 358 CG ASP A 24 -29.151 -0.997 -0.835 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.023 -1.114 -1.384 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.510 -1.723 0.130 1.00 0.00 O ATOM 0 H ASP A 24 -28.664 0.056 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 24 -30.837 1.521 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.959 0.106 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.804 -0.843 -2.157 1.00 0.00 H new ATOM 365 N GLY A 25 -27.834 1.875 -1.233 1.00 0.00 N ATOM 366 CA GLY A 25 -27.010 2.528 -0.263 1.00 0.00 C ATOM 367 C GLY A 25 -26.339 1.582 0.672 1.00 0.00 C ATOM 368 O GLY A 25 -25.616 2.031 1.560 1.00 0.00 O ATOM 0 H GLY A 25 -27.296 1.295 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.252 3.118 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.620 3.225 0.312 1.00 0.00 H new ATOM 372 N THR A 26 -26.419 0.247 0.533 1.00 0.00 N ATOM 373 CA THR A 26 -25.579 -0.670 1.240 1.00 0.00 C ATOM 374 C THR A 26 -24.892 -1.712 0.426 1.00 0.00 C ATOM 375 O THR A 26 -25.427 -2.218 -0.559 1.00 0.00 O ATOM 376 CB THR A 26 -26.194 -1.309 2.450 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.250 -2.066 1.877 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.717 -0.255 3.441 1.00 0.00 C ATOM 0 H THR A 26 -27.087 -0.208 -0.089 1.00 0.00 H new ATOM 0 HA THR A 26 -24.809 0.025 1.576 1.00 0.00 H new ATOM 0 HB THR A 26 -25.496 -1.907 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.884 -1.462 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.156 -0.754 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.892 0.378 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.474 0.359 2.953 1.00 0.00 H new ATOM 386 N ILE A 27 -23.571 -1.894 0.600 1.00 0.00 N ATOM 387 CA ILE A 27 -22.767 -2.904 -0.015 1.00 0.00 C ATOM 388 C ILE A 27 -22.546 -4.071 0.884 1.00 0.00 C ATOM 389 O ILE A 27 -21.938 -4.038 1.953 1.00 0.00 O ATOM 390 CB ILE A 27 -21.470 -2.423 -0.595 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.493 -0.918 -0.914 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.064 -3.254 -1.824 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.254 -0.395 -1.639 1.00 0.00 C ATOM 0 H ILE A 27 -23.026 -1.290 1.216 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.362 -3.226 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.709 -2.568 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.370 -0.704 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.611 -0.366 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.120 -2.880 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.948 -4.298 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.836 -3.173 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.363 0.674 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.371 -0.571 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.143 -0.915 -2.591 1.00 0.00 H new ATOM 405 N THR A 28 -23.118 -5.210 0.455 1.00 0.00 N ATOM 406 CA THR A 28 -23.113 -6.460 1.149 1.00 0.00 C ATOM 407 C THR A 28 -21.867 -7.233 0.883 1.00 0.00 C ATOM 408 O THR A 28 -21.119 -6.935 -0.047 1.00 0.00 O ATOM 409 CB THR A 28 -24.360 -7.253 0.891 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.402 -7.763 -0.433 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.586 -6.364 1.159 1.00 0.00 C ATOM 0 H THR A 28 -23.616 -5.260 -0.434 1.00 0.00 H new ATOM 0 HA THR A 28 -23.115 -6.239 2.216 1.00 0.00 H new ATOM 0 HB THR A 28 -24.365 -8.110 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.228 -8.275 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.496 -6.934 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.573 -6.029 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.559 -5.498 0.498 1.00 0.00 H new ATOM 419 N THR A 29 -21.616 -8.296 1.667 1.00 0.00 N ATOM 420 CA THR A 29 -20.546 -9.228 1.494 1.00 0.00 C ATOM 421 C THR A 29 -20.683 -9.946 0.195 1.00 0.00 C ATOM 422 O THR A 29 -19.702 -10.440 -0.357 1.00 0.00 O ATOM 423 CB THR A 29 -20.435 -10.306 2.531 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.730 -10.855 2.725 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.112 -9.697 3.905 1.00 0.00 C ATOM 0 H THR A 29 -22.199 -8.518 2.474 1.00 0.00 H new ATOM 0 HA THR A 29 -19.661 -8.595 1.562 1.00 0.00 H new ATOM 0 HB THR A 29 -19.678 -11.017 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.687 -11.565 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.035 -10.492 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.166 -9.158 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.906 -9.008 4.193 1.00 0.00 H new ATOM 433 N LYS A 30 -21.923 -10.076 -0.311 1.00 0.00 N ATOM 434 CA LYS A 30 -22.214 -10.574 -1.620 1.00 0.00 C ATOM 435 C LYS A 30 -21.724 -9.710 -2.730 1.00 0.00 C ATOM 436 O LYS A 30 -20.947 -10.148 -3.578 1.00 0.00 O ATOM 437 CB LYS A 30 -23.724 -10.845 -1.731 1.00 0.00 C ATOM 438 CG LYS A 30 -24.260 -11.793 -0.657 1.00 0.00 C ATOM 439 CD LYS A 30 -23.549 -13.145 -0.570 1.00 0.00 C ATOM 440 CE LYS A 30 -24.096 -13.872 0.660 1.00 0.00 C ATOM 441 NZ LYS A 30 -23.269 -13.654 1.868 1.00 0.00 N ATOM 0 H LYS A 30 -22.759 -9.823 0.215 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.658 -11.504 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.260 -9.898 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.937 -11.266 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -24.186 -11.298 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -25.319 -11.969 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.726 -13.730 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.471 -13.007 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.113 -13.532 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.151 -14.940 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.846 -13.816 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.467 -14.316 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.912 -12.677 1.873 1.00 0.00 H new ATOM 455 N GLU A 31 -22.174 -8.443 -2.763 1.00 0.00 N ATOM 456 CA GLU A 31 -21.717 -7.356 -3.572 1.00 0.00 C ATOM 457 C GLU A 31 -20.262 -7.035 -3.591 1.00 0.00 C ATOM 458 O GLU A 31 -19.591 -6.843 -4.604 1.00 0.00 O ATOM 459 CB GLU A 31 -22.513 -6.089 -3.218 1.00 0.00 C ATOM 460 CG GLU A 31 -23.982 -6.113 -3.648 1.00 0.00 C ATOM 461 CD GLU A 31 -24.710 -4.813 -3.336 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.520 -3.750 -3.984 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.644 -4.855 -2.491 1.00 0.00 O ATOM 0 H GLU A 31 -22.941 -8.152 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.897 -7.717 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.467 -5.937 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.027 -5.230 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.039 -6.308 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.489 -6.937 -3.147 1.00 0.00 H new ATOM 470 N LEU A 32 -19.623 -7.053 -2.408 1.00 0.00 N ATOM 471 CA LEU A 32 -18.227 -6.796 -2.230 1.00 0.00 C ATOM 472 C LEU A 32 -17.503 -7.889 -2.938 1.00 0.00 C ATOM 473 O LEU A 32 -16.525 -7.609 -3.630 1.00 0.00 O ATOM 474 CB LEU A 32 -17.803 -6.844 -0.753 1.00 0.00 C ATOM 475 CG LEU A 32 -18.079 -5.625 0.144 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.009 -5.891 1.657 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.981 -4.570 -0.072 1.00 0.00 C ATOM 0 H LEU A 32 -20.104 -7.257 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.001 -5.800 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.293 -7.705 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.731 -7.037 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.089 -5.325 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.219 -4.969 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.746 -6.647 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.012 -6.247 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.176 -3.706 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.011 -4.997 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.976 -4.258 -1.116 1.00 0.00 H new ATOM 489 N GLY A 33 -17.951 -9.152 -2.826 1.00 0.00 N ATOM 490 CA GLY A 33 -17.369 -10.229 -3.565 1.00 0.00 C ATOM 491 C GLY A 33 -17.572 -10.178 -5.040 1.00 0.00 C ATOM 492 O GLY A 33 -16.646 -10.308 -5.840 1.00 0.00 O ATOM 0 H GLY A 33 -18.722 -9.429 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.298 -10.248 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.780 -11.167 -3.191 1.00 0.00 H new ATOM 496 N THR A 34 -18.789 -9.946 -5.563 1.00 0.00 N ATOM 497 CA THR A 34 -19.246 -9.976 -6.918 1.00 0.00 C ATOM 498 C THR A 34 -18.535 -8.870 -7.620 1.00 0.00 C ATOM 499 O THR A 34 -18.030 -9.062 -8.725 1.00 0.00 O ATOM 500 CB THR A 34 -20.742 -9.901 -6.986 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.242 -11.005 -6.246 1.00 0.00 O ATOM 502 CG2 THR A 34 -21.248 -10.058 -8.430 1.00 0.00 C ATOM 0 H THR A 34 -19.559 -9.703 -4.940 1.00 0.00 H new ATOM 0 HA THR A 34 -19.013 -10.917 -7.417 1.00 0.00 H new ATOM 0 HB THR A 34 -21.071 -8.936 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.183 -10.810 -5.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 -22.336 -9.999 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.834 -9.262 -9.049 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.933 -11.025 -8.823 1.00 0.00 H new ATOM 510 N VAL A 35 -18.449 -7.647 -7.068 1.00 0.00 N ATOM 511 CA VAL A 35 -17.823 -6.495 -7.640 1.00 0.00 C ATOM 512 C VAL A 35 -16.361 -6.756 -7.757 1.00 0.00 C ATOM 513 O VAL A 35 -15.752 -6.488 -8.792 1.00 0.00 O ATOM 514 CB VAL A 35 -18.161 -5.196 -6.970 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.350 -4.037 -7.573 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.691 -5.078 -7.072 1.00 0.00 C ATOM 0 H VAL A 35 -18.848 -7.449 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 35 -18.237 -6.346 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.879 -5.155 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.614 -3.107 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.285 -4.231 -7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.575 -3.950 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.016 -4.150 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.987 -5.077 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.156 -5.924 -6.565 1.00 0.00 H new ATOM 526 N MET A 36 -15.708 -7.393 -6.769 1.00 0.00 N ATOM 527 CA MET A 36 -14.297 -7.627 -6.780 1.00 0.00 C ATOM 528 C MET A 36 -13.977 -8.668 -7.798 1.00 0.00 C ATOM 529 O MET A 36 -12.899 -8.726 -8.388 1.00 0.00 O ATOM 530 CB MET A 36 -13.658 -7.894 -5.407 1.00 0.00 C ATOM 531 CG MET A 36 -13.689 -6.713 -4.435 1.00 0.00 C ATOM 532 SD MET A 36 -13.082 -7.076 -2.760 1.00 0.00 S ATOM 533 CE MET A 36 -12.296 -5.464 -2.474 1.00 0.00 C ATOM 0 H MET A 36 -16.175 -7.756 -5.938 1.00 0.00 H new ATOM 0 HA MET A 36 -13.825 -6.688 -7.069 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.168 -8.739 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.621 -8.193 -5.558 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.092 -5.903 -4.853 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.714 -6.349 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.844 -5.451 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.526 -5.296 -3.227 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.046 -4.676 -2.541 1.00 0.00 H new ATOM 543 N ARG A 37 -14.852 -9.640 -8.109 1.00 0.00 N ATOM 544 CA ARG A 37 -14.683 -10.571 -9.182 1.00 0.00 C ATOM 545 C ARG A 37 -14.817 -9.990 -10.547 1.00 0.00 C ATOM 546 O ARG A 37 -14.132 -10.516 -11.423 1.00 0.00 O ATOM 547 CB ARG A 37 -15.475 -11.889 -9.164 1.00 0.00 C ATOM 548 CG ARG A 37 -14.870 -13.012 -8.319 1.00 0.00 C ATOM 549 CD ARG A 37 -15.077 -12.935 -6.805 1.00 0.00 C ATOM 550 NE ARG A 37 -16.388 -13.594 -6.547 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.893 -13.910 -5.318 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.111 -14.092 -4.214 1.00 0.00 N ATOM 553 NH2 ARG A 37 -18.243 -14.107 -5.310 1.00 0.00 N ATOM 0 H ARG A 37 -15.717 -9.784 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.649 -10.834 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.480 -11.683 -8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.577 -12.245 -10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.283 -13.958 -8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.798 -13.041 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.272 -13.442 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.084 -11.900 -6.462 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.958 -13.830 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.098 -13.993 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.539 -14.327 -3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.777 -14.014 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.718 -14.348 -4.440 1.00 0.00 H new ATOM 567 N SER A 38 -15.574 -8.901 -10.772 1.00 0.00 N ATOM 568 CA SER A 38 -15.695 -8.250 -12.039 1.00 0.00 C ATOM 569 C SER A 38 -14.529 -7.359 -12.296 1.00 0.00 C ATOM 570 O SER A 38 -14.116 -6.985 -13.393 1.00 0.00 O ATOM 571 CB SER A 38 -17.013 -7.495 -12.285 1.00 0.00 C ATOM 572 OG SER A 38 -18.048 -8.452 -12.459 1.00 0.00 O ATOM 0 H SER A 38 -16.125 -8.455 -10.039 1.00 0.00 H new ATOM 0 HA SER A 38 -15.709 -9.070 -12.756 1.00 0.00 H new ATOM 0 HB2 SER A 38 -17.239 -6.840 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.929 -6.862 -13.168 1.00 0.00 H new ATOM 0 HG SER A 38 -18.898 -7.990 -12.616 1.00 0.00 H new ATOM 578 N LEU A 39 -13.816 -6.961 -11.227 1.00 0.00 N ATOM 579 CA LEU A 39 -12.591 -6.235 -11.349 1.00 0.00 C ATOM 580 C LEU A 39 -11.434 -7.174 -11.342 1.00 0.00 C ATOM 581 O LEU A 39 -10.293 -6.729 -11.455 1.00 0.00 O ATOM 582 CB LEU A 39 -12.486 -5.252 -10.171 1.00 0.00 C ATOM 583 CG LEU A 39 -13.483 -4.081 -10.185 1.00 0.00 C ATOM 584 CD1 LEU A 39 -13.387 -3.305 -8.861 1.00 0.00 C ATOM 585 CD2 LEU A 39 -13.045 -3.051 -11.241 1.00 0.00 C ATOM 0 H LEU A 39 -14.095 -7.146 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.577 -5.686 -12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.622 -5.809 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.475 -4.844 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.476 -4.492 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.094 -2.476 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.623 -3.971 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.376 -2.917 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.750 -2.220 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.050 -2.679 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.024 -3.523 -12.223 1.00 0.00 H new ATOM 597 N GLY A 40 -11.599 -8.509 -11.352 1.00 0.00 N ATOM 598 CA GLY A 40 -10.634 -9.517 -11.663 1.00 0.00 C ATOM 599 C GLY A 40 -10.070 -10.343 -10.558 1.00 0.00 C ATOM 600 O GLY A 40 -9.224 -11.204 -10.794 1.00 0.00 O ATOM 0 H GLY A 40 -12.502 -8.921 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.089 -10.197 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.800 -9.030 -12.168 1.00 0.00 H new ATOM 604 N GLN A 41 -10.440 -9.999 -9.312 1.00 0.00 N ATOM 605 CA GLN A 41 -9.794 -10.424 -8.108 1.00 0.00 C ATOM 606 C GLN A 41 -10.489 -11.544 -7.414 1.00 0.00 C ATOM 607 O GLN A 41 -11.681 -11.792 -7.591 1.00 0.00 O ATOM 608 CB GLN A 41 -9.642 -9.283 -7.088 1.00 0.00 C ATOM 609 CG GLN A 41 -8.945 -8.047 -7.658 1.00 0.00 C ATOM 610 CD GLN A 41 -9.189 -6.953 -6.628 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.785 -5.931 -6.965 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.698 -7.138 -5.373 1.00 0.00 N ATOM 0 H GLN A 41 -11.237 -9.388 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.818 -10.766 -8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.629 -8.998 -6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.077 -9.646 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.879 -8.225 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.356 -7.774 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.210 -8.003 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.818 -6.412 -4.666 1.00 0.00 H new ATOM 621 N ASN A 42 -9.787 -12.338 -6.586 1.00 0.00 N ATOM 622 CA ASN A 42 -10.375 -13.418 -5.857 1.00 0.00 C ATOM 623 C ASN A 42 -10.443 -13.187 -4.386 1.00 0.00 C ATOM 624 O ASN A 42 -9.493 -13.553 -3.696 1.00 0.00 O ATOM 625 CB ASN A 42 -9.627 -14.743 -6.085 1.00 0.00 C ATOM 626 CG ASN A 42 -9.703 -15.133 -7.554 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.691 -15.604 -8.115 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.560 -14.874 -8.244 1.00 0.00 N ATOM 0 H ASN A 42 -8.787 -12.227 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.390 -13.477 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.586 -14.640 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.064 -15.528 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.512 -15.070 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.751 -14.483 -7.762 1.00 0.00 H new ATOM 635 N PRO A 43 -11.510 -12.668 -3.857 1.00 0.00 N ATOM 636 CA PRO A 43 -11.683 -12.676 -2.433 1.00 0.00 C ATOM 637 C PRO A 43 -11.962 -14.025 -1.864 1.00 0.00 C ATOM 638 O PRO A 43 -12.959 -14.655 -2.212 1.00 0.00 O ATOM 639 CB PRO A 43 -12.898 -11.795 -2.154 1.00 0.00 C ATOM 640 CG PRO A 43 -12.600 -10.709 -3.200 1.00 0.00 C ATOM 641 CD PRO A 43 -12.137 -11.491 -4.440 1.00 0.00 C ATOM 0 HA PRO A 43 -10.757 -12.330 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.845 -12.306 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.923 -11.411 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.485 -10.111 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.828 -10.023 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.973 -11.756 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.436 -10.915 -5.044 1.00 0.00 H new ATOM 649 N THR A 44 -11.118 -14.350 -0.869 1.00 0.00 N ATOM 650 CA THR A 44 -11.627 -15.350 0.018 1.00 0.00 C ATOM 651 C THR A 44 -12.637 -14.865 1.001 1.00 0.00 C ATOM 652 O THR A 44 -12.731 -13.659 1.226 1.00 0.00 O ATOM 653 CB THR A 44 -10.576 -16.099 0.782 1.00 0.00 C ATOM 654 OG1 THR A 44 -9.845 -15.326 1.723 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.685 -16.926 -0.160 1.00 0.00 C ATOM 0 H THR A 44 -10.188 -13.973 -0.686 1.00 0.00 H new ATOM 0 HA THR A 44 -12.114 -16.024 -0.687 1.00 0.00 H new ATOM 0 HB THR A 44 -11.120 -16.798 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.276 -14.685 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.933 -17.457 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.298 -17.645 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.191 -16.262 -0.870 1.00 0.00 H new ATOM 663 N GLU A 45 -13.357 -15.804 1.640 1.00 0.00 N ATOM 664 CA GLU A 45 -14.373 -15.488 2.596 1.00 0.00 C ATOM 665 C GLU A 45 -13.850 -14.919 3.870 1.00 0.00 C ATOM 666 O GLU A 45 -14.517 -14.065 4.453 1.00 0.00 O ATOM 667 CB GLU A 45 -15.228 -16.688 3.037 1.00 0.00 C ATOM 668 CG GLU A 45 -16.164 -17.259 1.969 1.00 0.00 C ATOM 669 CD GLU A 45 -17.127 -18.285 2.549 1.00 0.00 C ATOM 670 OE1 GLU A 45 -16.721 -19.462 2.743 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.275 -17.939 2.937 1.00 0.00 O ATOM 0 H GLU A 45 -13.231 -16.805 1.489 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.966 -14.761 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.562 -17.482 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.827 -16.389 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.730 -16.448 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.573 -17.722 1.178 1.00 0.00 H new ATOM 678 N ALA A 46 -12.706 -15.372 4.413 1.00 0.00 N ATOM 679 CA ALA A 46 -12.095 -14.776 5.560 1.00 0.00 C ATOM 680 C ALA A 46 -11.668 -13.376 5.281 1.00 0.00 C ATOM 681 O ALA A 46 -11.800 -12.481 6.114 1.00 0.00 O ATOM 682 CB ALA A 46 -10.840 -15.575 5.952 1.00 0.00 C ATOM 0 H ALA A 46 -12.193 -16.173 4.045 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.832 -14.780 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.376 -15.118 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.121 -16.602 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.133 -15.571 5.123 1.00 0.00 H new ATOM 688 N GLU A 47 -11.215 -13.111 4.042 1.00 0.00 N ATOM 689 CA GLU A 47 -10.764 -11.813 3.646 1.00 0.00 C ATOM 690 C GLU A 47 -11.858 -10.805 3.732 1.00 0.00 C ATOM 691 O GLU A 47 -11.723 -9.654 4.142 1.00 0.00 O ATOM 692 CB GLU A 47 -10.037 -11.715 2.294 1.00 0.00 C ATOM 693 CG GLU A 47 -8.635 -12.324 2.239 1.00 0.00 C ATOM 694 CD GLU A 47 -8.155 -12.460 0.801 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.618 -13.432 0.145 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.302 -11.668 0.320 1.00 0.00 O ATOM 0 H GLU A 47 -11.161 -13.811 3.302 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.988 -11.588 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.652 -12.202 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.965 -10.663 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.941 -11.699 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.641 -13.303 2.718 1.00 0.00 H new ATOM 703 N LEU A 48 -13.032 -11.265 3.263 1.00 0.00 N ATOM 704 CA LEU A 48 -14.252 -10.537 3.425 1.00 0.00 C ATOM 705 C LEU A 48 -14.604 -10.355 4.861 1.00 0.00 C ATOM 706 O LEU A 48 -14.966 -9.241 5.236 1.00 0.00 O ATOM 707 CB LEU A 48 -15.344 -11.327 2.684 1.00 0.00 C ATOM 708 CG LEU A 48 -15.203 -11.266 1.153 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.214 -12.267 0.570 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.492 -9.824 0.704 1.00 0.00 C ATOM 0 H LEU A 48 -13.136 -12.150 2.767 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.148 -9.533 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.311 -12.368 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.321 -10.937 2.968 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.203 -11.530 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.149 -12.258 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.989 -13.268 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.222 -11.986 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.398 -9.755 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.504 -9.547 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.779 -9.147 1.174 1.00 0.00 H new ATOM 722 N GLN A 49 -14.595 -11.392 5.717 1.00 0.00 N ATOM 723 CA GLN A 49 -15.056 -11.398 7.071 1.00 0.00 C ATOM 724 C GLN A 49 -14.300 -10.550 8.036 1.00 0.00 C ATOM 725 O GLN A 49 -14.806 -10.056 9.042 1.00 0.00 O ATOM 726 CB GLN A 49 -15.054 -12.859 7.553 1.00 0.00 C ATOM 727 CG GLN A 49 -15.964 -13.064 8.765 1.00 0.00 C ATOM 728 CD GLN A 49 -16.135 -14.557 9.006 1.00 0.00 C ATOM 729 OE1 GLN A 49 -16.967 -15.261 8.436 1.00 0.00 O ATOM 730 NE2 GLN A 49 -15.169 -15.060 9.821 1.00 0.00 N ATOM 0 H GLN A 49 -14.234 -12.304 5.436 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.049 -10.948 7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.380 -13.509 6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.037 -13.155 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.533 -12.587 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.933 -12.597 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.503 -14.432 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.111 -16.065 9.983 1.00 0.00 H new ATOM 739 N ASP A 50 -13.032 -10.354 7.634 1.00 0.00 N ATOM 740 CA ASP A 50 -11.911 -9.799 8.327 1.00 0.00 C ATOM 741 C ASP A 50 -12.142 -8.332 8.203 1.00 0.00 C ATOM 742 O ASP A 50 -12.092 -7.627 9.209 1.00 0.00 O ATOM 743 CB ASP A 50 -10.566 -10.243 7.726 1.00 0.00 C ATOM 744 CG ASP A 50 -9.358 -9.572 8.365 1.00 0.00 C ATOM 745 OD1 ASP A 50 -8.907 -10.081 9.425 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.750 -8.650 7.758 1.00 0.00 O ATOM 0 H ASP A 50 -12.761 -10.625 6.689 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.841 -10.132 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.469 -11.323 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.567 -10.028 6.657 1.00 0.00 H new ATOM 751 N MET A 51 -12.394 -7.875 6.963 1.00 0.00 N ATOM 752 CA MET A 51 -12.768 -6.567 6.521 1.00 0.00 C ATOM 753 C MET A 51 -14.048 -6.174 7.174 1.00 0.00 C ATOM 754 O MET A 51 -14.146 -5.063 7.692 1.00 0.00 O ATOM 755 CB MET A 51 -12.767 -6.566 4.983 1.00 0.00 C ATOM 756 CG MET A 51 -13.475 -5.334 4.416 1.00 0.00 C ATOM 757 SD MET A 51 -13.416 -5.170 2.606 1.00 0.00 S ATOM 758 CE MET A 51 -13.959 -6.816 2.066 1.00 0.00 C ATOM 0 H MET A 51 -12.325 -8.511 6.169 1.00 0.00 H new ATOM 0 HA MET A 51 -12.059 -5.795 6.821 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.740 -6.594 4.620 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.259 -7.468 4.618 1.00 0.00 H new ATOM 0 HG2 MET A 51 -14.519 -5.359 4.728 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.031 -4.443 4.860 1.00 0.00 H new ATOM 0 HE1 MET A 51 -14.157 -6.800 0.994 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.178 -7.545 2.280 1.00 0.00 H new ATOM 0 HE3 MET A 51 -14.869 -7.092 2.599 1.00 0.00 H new ATOM 768 N ILE A 52 -15.053 -7.067 7.151 1.00 0.00 N ATOM 769 CA ILE A 52 -16.297 -6.863 7.828 1.00 0.00 C ATOM 770 C ILE A 52 -16.136 -6.763 9.306 1.00 0.00 C ATOM 771 O ILE A 52 -16.778 -5.936 9.951 1.00 0.00 O ATOM 772 CB ILE A 52 -17.295 -7.903 7.413 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.081 -7.382 6.198 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.302 -8.272 8.515 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.350 -7.328 4.857 1.00 0.00 C ATOM 0 H ILE A 52 -15.000 -7.954 6.649 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.691 -5.893 7.523 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.726 -8.803 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.965 -8.008 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.433 -6.377 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.991 -9.029 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.767 -8.664 9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.863 -7.384 8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.023 -6.942 4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.483 -6.673 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.023 -8.330 4.580 1.00 0.00 H new ATOM 787 N ASN A 53 -15.256 -7.511 9.996 1.00 0.00 N ATOM 788 CA ASN A 53 -14.881 -7.299 11.359 1.00 0.00 C ATOM 789 C ASN A 53 -14.207 -5.998 11.630 1.00 0.00 C ATOM 790 O ASN A 53 -14.518 -5.321 12.609 1.00 0.00 O ATOM 791 CB ASN A 53 -14.123 -8.529 11.887 1.00 0.00 C ATOM 792 CG ASN A 53 -14.384 -8.867 13.348 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.182 -9.780 13.552 1.00 0.00 O ATOM 794 ND2 ASN A 53 -13.889 -8.055 14.320 1.00 0.00 N ATOM 0 H ASN A 53 -14.779 -8.310 9.577 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.800 -7.198 11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.391 -9.392 11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.054 -8.363 11.753 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.178 -8.185 15.289 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.229 -7.316 14.080 1.00 0.00 H new ATOM 801 N GLU A 54 -13.416 -5.523 10.651 1.00 0.00 N ATOM 802 CA GLU A 54 -12.822 -4.230 10.792 1.00 0.00 C ATOM 803 C GLU A 54 -13.731 -3.050 10.753 1.00 0.00 C ATOM 804 O GLU A 54 -13.512 -2.154 11.567 1.00 0.00 O ATOM 805 CB GLU A 54 -11.706 -3.911 9.783 1.00 0.00 C ATOM 806 CG GLU A 54 -10.416 -4.727 9.890 1.00 0.00 C ATOM 807 CD GLU A 54 -9.409 -3.991 9.017 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.754 -3.095 9.614 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.285 -4.299 7.802 1.00 0.00 O ATOM 0 H GLU A 54 -13.192 -6.016 9.787 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.434 -4.353 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.109 -4.045 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.449 -2.857 9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.072 -4.788 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.566 -5.749 9.543 1.00 0.00 H new ATOM 816 N VAL A 55 -14.640 -2.987 9.764 1.00 0.00 N ATOM 817 CA VAL A 55 -15.411 -1.794 9.598 1.00 0.00 C ATOM 818 C VAL A 55 -16.721 -1.795 10.308 1.00 0.00 C ATOM 819 O VAL A 55 -17.210 -0.753 10.743 1.00 0.00 O ATOM 820 CB VAL A 55 -15.529 -1.380 8.161 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.127 -1.272 7.538 1.00 0.00 C ATOM 822 CG2 VAL A 55 -16.369 -2.411 7.389 1.00 0.00 C ATOM 0 H VAL A 55 -14.838 -3.735 9.099 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.832 -1.021 10.103 1.00 0.00 H new ATOM 0 HB VAL A 55 -16.021 -0.409 8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.215 -0.971 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.543 -0.529 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.628 -2.239 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.452 -2.105 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.887 -3.387 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.364 -2.472 7.829 1.00 0.00 H new ATOM 832 N ASP A 56 -17.428 -2.930 10.454 1.00 0.00 N ATOM 833 CA ASP A 56 -18.789 -2.873 10.890 1.00 0.00 C ATOM 834 C ASP A 56 -18.854 -2.885 12.379 1.00 0.00 C ATOM 835 O ASP A 56 -18.690 -3.894 13.064 1.00 0.00 O ATOM 836 CB ASP A 56 -19.654 -3.981 10.265 1.00 0.00 C ATOM 837 CG ASP A 56 -21.136 -3.907 10.607 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.821 -3.045 9.995 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.526 -4.759 11.449 1.00 0.00 O ATOM 0 H ASP A 56 -17.068 -3.867 10.275 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.212 -1.932 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.544 -3.940 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.269 -4.948 10.588 1.00 0.00 H new ATOM 844 N ALA A 57 -19.119 -1.704 12.965 1.00 0.00 N ATOM 845 CA ALA A 57 -19.312 -1.541 14.373 1.00 0.00 C ATOM 846 C ALA A 57 -20.734 -1.182 14.637 1.00 0.00 C ATOM 847 O ALA A 57 -21.115 -0.580 15.640 1.00 0.00 O ATOM 848 CB ALA A 57 -18.501 -0.301 14.786 1.00 0.00 C ATOM 0 H ALA A 57 -19.202 -0.833 12.441 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.027 -2.452 14.899 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.615 -0.132 15.857 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.448 -0.461 14.554 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.865 0.570 14.240 1.00 0.00 H new ATOM 854 N ASP A 58 -21.584 -1.624 13.692 1.00 0.00 N ATOM 855 CA ASP A 58 -22.995 -1.672 13.919 1.00 0.00 C ATOM 856 C ASP A 58 -23.510 -2.920 14.550 1.00 0.00 C ATOM 857 O ASP A 58 -24.335 -2.884 15.461 1.00 0.00 O ATOM 858 CB ASP A 58 -23.901 -1.487 12.691 1.00 0.00 C ATOM 859 CG ASP A 58 -23.575 -0.169 12.002 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.883 0.865 12.652 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.100 -0.197 10.836 1.00 0.00 O ATOM 0 H ASP A 58 -21.293 -1.948 12.770 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.060 -0.815 14.589 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.761 -2.315 11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.948 -1.500 12.995 1.00 0.00 H new ATOM 866 N GLY A 59 -22.971 -4.068 14.102 1.00 0.00 N ATOM 867 CA GLY A 59 -23.474 -5.369 14.415 1.00 0.00 C ATOM 868 C GLY A 59 -24.351 -5.887 13.327 1.00 0.00 C ATOM 869 O GLY A 59 -25.372 -6.509 13.614 1.00 0.00 O ATOM 0 H GLY A 59 -22.151 -4.090 13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.642 -6.055 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.035 -5.329 15.349 1.00 0.00 H new ATOM 873 N ASN A 60 -24.123 -5.603 12.032 1.00 0.00 N ATOM 874 CA ASN A 60 -25.007 -5.755 10.918 1.00 0.00 C ATOM 875 C ASN A 60 -24.336 -6.567 9.865 1.00 0.00 C ATOM 876 O ASN A 60 -24.982 -7.421 9.259 1.00 0.00 O ATOM 877 CB ASN A 60 -25.402 -4.340 10.461 1.00 0.00 C ATOM 878 CG ASN A 60 -26.567 -4.428 9.486 1.00 0.00 C ATOM 879 OD1 ASN A 60 -26.401 -4.494 8.269 1.00 0.00 O ATOM 880 ND2 ASN A 60 -27.807 -4.389 10.044 1.00 0.00 N ATOM 0 H ASN A 60 -23.222 -5.227 11.737 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.919 -6.295 11.171 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.680 -3.733 11.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.553 -3.849 9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -28.635 -4.414 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.909 -4.334 11.057 1.00 0.00 H new ATOM 887 N GLY A 61 -23.079 -6.388 9.421 1.00 0.00 N ATOM 888 CA GLY A 61 -22.522 -7.211 8.393 1.00 0.00 C ATOM 889 C GLY A 61 -22.458 -6.627 7.024 1.00 0.00 C ATOM 890 O GLY A 61 -21.719 -7.139 6.184 1.00 0.00 O ATOM 0 H GLY A 61 -22.447 -5.671 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.511 -7.489 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.104 -8.131 8.343 1.00 0.00 H new ATOM 894 N THR A 62 -23.158 -5.492 6.851 1.00 0.00 N ATOM 895 CA THR A 62 -23.157 -4.730 5.641 1.00 0.00 C ATOM 896 C THR A 62 -22.379 -3.472 5.822 1.00 0.00 C ATOM 897 O THR A 62 -22.207 -2.894 6.894 1.00 0.00 O ATOM 898 CB THR A 62 -24.488 -4.310 5.091 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.305 -3.554 5.973 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.374 -5.532 4.798 1.00 0.00 C ATOM 0 H THR A 62 -23.747 -5.090 7.581 1.00 0.00 H new ATOM 0 HA THR A 62 -22.723 -5.431 4.928 1.00 0.00 H new ATOM 0 HB THR A 62 -24.200 -3.719 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.630 -4.132 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.333 -5.199 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.880 -6.172 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.538 -6.092 5.719 1.00 0.00 H new ATOM 908 N ILE A 63 -21.853 -2.945 4.702 1.00 0.00 N ATOM 909 CA ILE A 63 -21.069 -1.761 4.534 1.00 0.00 C ATOM 910 C ILE A 63 -21.780 -0.628 3.877 1.00 0.00 C ATOM 911 O ILE A 63 -22.245 -0.749 2.745 1.00 0.00 O ATOM 912 CB ILE A 63 -19.753 -1.999 3.853 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.909 -3.111 4.497 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.018 -0.676 3.579 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.474 -3.103 3.972 1.00 0.00 C ATOM 0 H ILE A 63 -21.998 -3.410 3.806 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.872 -1.461 5.563 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.965 -2.418 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.902 -2.983 5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.366 -4.079 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.069 -0.883 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.632 -0.045 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.832 -0.161 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.907 -3.902 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.480 -3.257 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.009 -2.144 4.198 1.00 0.00 H new ATOM 927 N ASP A 64 -21.962 0.467 4.637 1.00 0.00 N ATOM 928 CA ASP A 64 -22.771 1.634 4.471 1.00 0.00 C ATOM 929 C ASP A 64 -21.833 2.757 4.186 1.00 0.00 C ATOM 930 O ASP A 64 -20.617 2.608 4.069 1.00 0.00 O ATOM 931 CB ASP A 64 -23.643 1.878 5.714 1.00 0.00 C ATOM 932 CG ASP A 64 -22.814 2.077 6.975 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.233 3.169 7.214 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.820 1.102 7.773 1.00 0.00 O ATOM 0 H ASP A 64 -21.450 0.536 5.516 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.477 1.526 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.267 2.757 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.315 1.032 5.854 1.00 0.00 H new ATOM 939 N PHE A 65 -22.375 3.983 4.077 1.00 0.00 N ATOM 940 CA PHE A 65 -21.741 5.159 3.568 1.00 0.00 C ATOM 941 C PHE A 65 -20.627 5.663 4.420 1.00 0.00 C ATOM 942 O PHE A 65 -19.471 5.612 4.003 1.00 0.00 O ATOM 943 CB PHE A 65 -22.783 6.157 3.035 1.00 0.00 C ATOM 944 CG PHE A 65 -22.117 7.378 2.501 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.612 7.349 1.222 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.904 8.523 3.233 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.934 8.423 0.694 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.271 9.631 2.720 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.766 9.563 1.443 1.00 0.00 C ATOM 0 H PHE A 65 -23.335 4.165 4.369 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.168 4.907 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.376 5.687 2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.472 6.432 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.751 6.464 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.249 8.553 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.534 8.371 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.173 10.533 3.306 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.236 10.407 1.028 1.00 0.00 H new ATOM 959 N PRO A 66 -20.777 6.154 5.614 1.00 0.00 N ATOM 960 CA PRO A 66 -19.637 6.704 6.288 1.00 0.00 C ATOM 961 C PRO A 66 -18.826 5.563 6.800 1.00 0.00 C ATOM 962 O PRO A 66 -17.753 5.875 7.313 1.00 0.00 O ATOM 963 CB PRO A 66 -20.268 7.483 7.441 1.00 0.00 C ATOM 964 CG PRO A 66 -21.537 6.676 7.758 1.00 0.00 C ATOM 965 CD PRO A 66 -22.020 6.415 6.323 1.00 0.00 C ATOM 0 HA PRO A 66 -18.988 7.329 5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.601 7.539 8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.504 8.508 7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.326 5.757 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.258 7.240 8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.702 5.566 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.550 7.274 5.911 1.00 0.00 H new ATOM 973 N GLU A 67 -19.161 4.270 6.644 1.00 0.00 N ATOM 974 CA GLU A 67 -18.281 3.153 6.798 1.00 0.00 C ATOM 975 C GLU A 67 -17.415 2.830 5.630 1.00 0.00 C ATOM 976 O GLU A 67 -16.204 2.622 5.687 1.00 0.00 O ATOM 977 CB GLU A 67 -19.158 1.917 7.062 1.00 0.00 C ATOM 978 CG GLU A 67 -18.560 0.883 8.018 1.00 0.00 C ATOM 979 CD GLU A 67 -19.668 -0.009 8.560 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.117 -0.836 7.723 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.271 0.262 9.633 1.00 0.00 O ATOM 0 H GLU A 67 -20.109 3.987 6.394 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.602 3.422 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.114 2.250 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.366 1.429 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.815 0.280 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.048 1.385 8.839 1.00 0.00 H new ATOM 988 N PHE A 68 -17.927 2.991 4.396 1.00 0.00 N ATOM 989 CA PHE A 68 -17.335 2.861 3.101 1.00 0.00 C ATOM 990 C PHE A 68 -16.330 3.924 2.819 1.00 0.00 C ATOM 991 O PHE A 68 -15.257 3.769 2.239 1.00 0.00 O ATOM 992 CB PHE A 68 -18.337 2.891 1.935 1.00 0.00 C ATOM 993 CG PHE A 68 -17.702 2.738 0.596 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.445 1.507 0.039 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.519 3.884 -0.143 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.983 1.332 -1.243 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.004 3.743 -1.410 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.802 2.496 -1.952 1.00 0.00 C ATOM 0 H PHE A 68 -18.908 3.253 4.301 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.868 1.877 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.067 2.094 2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.885 3.833 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.616 0.628 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.770 4.856 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.778 0.357 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.755 4.622 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.486 2.427 -2.983 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.624 5.091 3.421 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.742 6.205 3.584 1.00 0.00 C ATOM 1010 C LEU A 69 -14.382 5.802 4.041 1.00 0.00 C ATOM 1011 O LEU A 69 -13.407 6.025 3.326 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.406 7.282 4.458 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.109 8.775 4.241 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.404 9.602 4.305 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.999 9.218 5.209 1.00 0.00 C ATOM 0 H LEU A 69 -17.545 5.267 3.822 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.567 6.653 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.484 7.154 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.152 7.054 5.493 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.722 8.954 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.171 10.655 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.091 9.263 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.869 9.474 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.786 10.276 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.326 9.057 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.097 8.635 5.020 1.00 0.00 H new ATOM 1027 N THR A 70 -14.223 5.103 5.179 1.00 0.00 N ATOM 1028 CA THR A 70 -12.894 4.715 5.536 1.00 0.00 C ATOM 1029 C THR A 70 -12.276 3.653 4.694 1.00 0.00 C ATOM 1030 O THR A 70 -11.074 3.595 4.437 1.00 0.00 O ATOM 1031 CB THR A 70 -12.619 4.426 6.982 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.563 3.456 7.411 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.915 5.671 7.834 1.00 0.00 C ATOM 0 H THR A 70 -14.965 4.820 5.819 1.00 0.00 H new ATOM 0 HA THR A 70 -12.400 5.661 5.314 1.00 0.00 H new ATOM 0 HB THR A 70 -11.582 4.108 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.408 3.244 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.712 5.451 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.281 6.495 7.507 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.962 5.951 7.718 1.00 0.00 H new ATOM 1041 N MET A 71 -13.124 2.770 4.136 1.00 0.00 N ATOM 1042 CA MET A 71 -12.790 1.776 3.164 1.00 0.00 C ATOM 1043 C MET A 71 -12.058 2.315 1.983 1.00 0.00 C ATOM 1044 O MET A 71 -10.934 1.921 1.679 1.00 0.00 O ATOM 1045 CB MET A 71 -13.905 0.777 2.813 1.00 0.00 C ATOM 1046 CG MET A 71 -13.587 -0.540 2.102 1.00 0.00 C ATOM 1047 SD MET A 71 -15.122 -1.358 1.573 1.00 0.00 S ATOM 1048 CE MET A 71 -14.491 -1.839 -0.060 1.00 0.00 C ATOM 0 H MET A 71 -14.113 2.751 4.383 1.00 0.00 H new ATOM 0 HA MET A 71 -12.070 1.149 3.689 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.411 0.523 3.744 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.627 1.309 2.193 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.951 -0.350 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.029 -1.196 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.283 -2.328 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.156 -0.951 -0.597 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.654 -2.527 0.061 1.00 0.00 H new ATOM 1058 N MET A 72 -12.719 3.209 1.225 1.00 0.00 N ATOM 1059 CA MET A 72 -12.115 3.912 0.136 1.00 0.00 C ATOM 1060 C MET A 72 -10.942 4.770 0.466 1.00 0.00 C ATOM 1061 O MET A 72 -10.006 4.826 -0.329 1.00 0.00 O ATOM 1062 CB MET A 72 -13.187 4.733 -0.600 1.00 0.00 C ATOM 1063 CG MET A 72 -12.885 4.914 -2.089 1.00 0.00 C ATOM 1064 SD MET A 72 -13.009 3.422 -3.119 1.00 0.00 S ATOM 1065 CE MET A 72 -12.173 4.160 -4.552 1.00 0.00 C ATOM 0 H MET A 72 -13.699 3.449 1.374 1.00 0.00 H new ATOM 0 HA MET A 72 -11.696 3.133 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.153 4.241 -0.488 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.272 5.713 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.568 5.664 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.877 5.316 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.209 3.466 -5.392 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.674 5.088 -4.827 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.134 4.370 -4.299 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.871 5.398 1.653 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.768 6.163 2.146 1.00 0.00 C ATOM 1077 C ALA A 73 -8.460 5.455 2.236 1.00 0.00 C ATOM 1078 O ALA A 73 -7.414 6.066 2.027 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.169 6.898 3.436 1.00 0.00 C ATOM 0 H ALA A 73 -11.644 5.368 2.318 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.554 6.903 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.322 7.477 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.004 7.567 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.466 6.171 4.192 1.00 0.00 H new ATOM 1234 N GLU A 83 4.694 9.833 1.872 1.00 0.00 N ATOM 1235 CA GLU A 83 5.695 8.837 1.641 1.00 0.00 C ATOM 1236 C GLU A 83 6.462 8.567 2.889 1.00 0.00 C ATOM 1237 O GLU A 83 6.974 7.462 3.060 1.00 0.00 O ATOM 1238 CB GLU A 83 6.635 9.116 0.456 1.00 0.00 C ATOM 1239 CG GLU A 83 5.946 8.941 -0.899 1.00 0.00 C ATOM 1240 CD GLU A 83 5.477 7.553 -1.313 1.00 0.00 C ATOM 1241 OE1 GLU A 83 6.380 6.677 -1.384 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.267 7.346 -1.595 1.00 0.00 O ATOM 0 HA GLU A 83 5.147 7.942 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.020 10.133 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.492 8.445 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.078 9.600 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.632 9.299 -1.666 1.00 0.00 H new ATOM 1249 N GLU A 84 6.684 9.524 3.808 1.00 0.00 N ATOM 1250 CA GLU A 84 7.346 9.341 5.063 1.00 0.00 C ATOM 1251 C GLU A 84 6.424 8.635 5.996 1.00 0.00 C ATOM 1252 O GLU A 84 6.870 7.708 6.670 1.00 0.00 O ATOM 1253 CB GLU A 84 8.036 10.553 5.711 1.00 0.00 C ATOM 1254 CG GLU A 84 9.159 11.248 4.939 1.00 0.00 C ATOM 1255 CD GLU A 84 9.622 12.571 5.533 1.00 0.00 C ATOM 1256 OE1 GLU A 84 10.130 12.602 6.686 1.00 0.00 O ATOM 1257 OE2 GLU A 84 9.502 13.619 4.844 1.00 0.00 O ATOM 0 H GLU A 84 6.381 10.487 3.665 1.00 0.00 H new ATOM 0 HA GLU A 84 8.219 8.732 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.269 11.298 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.442 10.231 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.013 10.573 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.823 11.423 3.917 1.00 0.00 H new ATOM 1264 N ILE A 85 5.110 8.925 6.016 1.00 0.00 N ATOM 1265 CA ILE A 85 4.196 8.223 6.862 1.00 0.00 C ATOM 1266 C ILE A 85 4.081 6.811 6.402 1.00 0.00 C ATOM 1267 O ILE A 85 4.283 5.905 7.210 1.00 0.00 O ATOM 1268 CB ILE A 85 2.852 8.889 6.856 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.709 10.384 7.186 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.769 8.048 7.553 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.440 10.888 8.429 1.00 0.00 C ATOM 0 H ILE A 85 4.679 9.650 5.442 1.00 0.00 H new ATOM 0 HA ILE A 85 4.573 8.238 7.884 1.00 0.00 H new ATOM 0 HB ILE A 85 2.693 8.919 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.063 10.956 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.648 10.606 7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.818 8.579 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.668 7.090 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.052 7.879 8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.259 11.956 8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.074 10.356 9.307 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.510 10.712 8.318 1.00 0.00 H new ATOM 1283 N ARG A 86 3.901 6.576 5.090 1.00 0.00 N ATOM 1284 CA ARG A 86 4.103 5.294 4.490 1.00 0.00 C ATOM 1285 C ARG A 86 5.321 4.511 4.841 1.00 0.00 C ATOM 1286 O ARG A 86 5.230 3.392 5.344 1.00 0.00 O ATOM 1287 CB ARG A 86 4.132 5.552 2.974 1.00 0.00 C ATOM 1288 CG ARG A 86 3.629 4.468 2.018 1.00 0.00 C ATOM 1289 CD ARG A 86 3.810 4.874 0.554 1.00 0.00 C ATOM 1290 NE ARG A 86 3.446 3.658 -0.227 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.433 3.701 -1.591 1.00 0.00 C ATOM 1292 NH1 ARG A 86 4.203 4.640 -2.214 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.605 2.938 -2.362 1.00 0.00 N ATOM 0 H ARG A 86 3.608 7.296 4.429 1.00 0.00 H new ATOM 0 HA ARG A 86 3.297 4.669 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.548 6.452 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.163 5.777 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.167 3.539 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.575 4.272 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.169 5.717 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.836 5.181 0.353 1.00 0.00 H new ATOM 0 HE ARG A 86 3.207 2.793 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.767 5.285 -1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.214 4.697 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.950 2.292 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.641 3.014 -3.379 1.00 0.00 H new ATOM 1307 N GLU A 87 6.530 5.082 4.696 1.00 0.00 N ATOM 1308 CA GLU A 87 7.744 4.359 4.913 1.00 0.00 C ATOM 1309 C GLU A 87 8.042 4.146 6.357 1.00 0.00 C ATOM 1310 O GLU A 87 8.713 3.160 6.656 1.00 0.00 O ATOM 1311 CB GLU A 87 8.924 4.867 4.067 1.00 0.00 C ATOM 1312 CG GLU A 87 10.080 3.914 3.755 1.00 0.00 C ATOM 1313 CD GLU A 87 11.121 4.439 2.776 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.849 4.442 1.546 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.254 4.751 3.229 1.00 0.00 O ATOM 0 H GLU A 87 6.667 6.056 4.425 1.00 0.00 H new ATOM 0 HA GLU A 87 7.573 3.355 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.521 5.217 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.342 5.736 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.581 3.662 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.666 2.988 3.355 1.00 0.00 H new ATOM 1322 N ALA A 88 7.450 4.934 7.273 1.00 0.00 N ATOM 1323 CA ALA A 88 7.567 4.726 8.683 1.00 0.00 C ATOM 1324 C ALA A 88 6.884 3.446 9.024 1.00 0.00 C ATOM 1325 O ALA A 88 7.495 2.596 9.668 1.00 0.00 O ATOM 1326 CB ALA A 88 7.153 5.974 9.481 1.00 0.00 C ATOM 0 H ALA A 88 6.874 5.738 7.026 1.00 0.00 H new ATOM 0 HA ALA A 88 8.606 4.600 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.256 5.775 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.794 6.812 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.115 6.221 9.257 1.00 0.00 H new ATOM 1332 N PHE A 89 5.658 3.218 8.520 1.00 0.00 N ATOM 1333 CA PHE A 89 4.888 2.031 8.731 1.00 0.00 C ATOM 1334 C PHE A 89 5.548 0.797 8.218 1.00 0.00 C ATOM 1335 O PHE A 89 5.686 -0.207 8.916 1.00 0.00 O ATOM 1336 CB PHE A 89 3.473 2.093 8.134 1.00 0.00 C ATOM 1337 CG PHE A 89 2.516 1.169 8.806 1.00 0.00 C ATOM 1338 CD1 PHE A 89 2.551 -0.194 8.634 1.00 0.00 C ATOM 1339 CD2 PHE A 89 1.853 1.684 9.895 1.00 0.00 C ATOM 1340 CE1 PHE A 89 1.840 -1.014 9.478 1.00 0.00 C ATOM 1341 CE2 PHE A 89 1.138 0.872 10.743 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.019 -0.462 10.433 1.00 0.00 C ATOM 0 H PHE A 89 5.178 3.900 7.933 1.00 0.00 H new ATOM 0 HA PHE A 89 4.813 1.979 9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.097 3.114 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.521 1.848 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.138 -0.622 7.835 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.895 2.746 10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.926 -2.087 9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.679 1.274 11.634 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.285 -1.073 10.937 1.00 0.00 H new ATOM 1352 N ARG A 90 6.048 0.911 6.975 1.00 0.00 N ATOM 1353 CA ARG A 90 6.777 -0.134 6.327 1.00 0.00 C ATOM 1354 C ARG A 90 8.116 -0.391 6.929 1.00 0.00 C ATOM 1355 O ARG A 90 8.582 -1.529 6.943 1.00 0.00 O ATOM 1356 CB ARG A 90 6.944 0.205 4.836 1.00 0.00 C ATOM 1357 CG ARG A 90 7.704 -0.713 3.877 1.00 0.00 C ATOM 1358 CD ARG A 90 7.017 -2.068 3.691 1.00 0.00 C ATOM 1359 NE ARG A 90 7.374 -2.952 4.837 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.044 -4.273 4.934 1.00 0.00 C ATOM 1361 NH1 ARG A 90 6.421 -4.961 3.934 1.00 0.00 N ATOM 1362 NH2 ARG A 90 7.449 -4.988 6.024 1.00 0.00 N ATOM 0 H ARG A 90 5.943 1.751 6.406 1.00 0.00 H new ATOM 0 HA ARG A 90 6.195 -1.046 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.941 0.326 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.428 1.180 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.799 -0.222 2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.714 -0.871 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.936 -1.938 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.330 -2.524 2.752 1.00 0.00 H new ATOM 0 HE ARG A 90 7.904 -2.540 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.180 -4.488 3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.196 -5.948 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.994 -4.535 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.207 -5.976 6.105 1.00 0.00 H new ATOM 1376 N VAL A 91 8.837 0.608 7.469 1.00 0.00 N ATOM 1377 CA VAL A 91 9.936 0.346 8.345 1.00 0.00 C ATOM 1378 C VAL A 91 9.634 -0.356 9.624 1.00 0.00 C ATOM 1379 O VAL A 91 10.282 -1.330 10.004 1.00 0.00 O ATOM 1380 CB VAL A 91 10.752 1.603 8.429 1.00 0.00 C ATOM 1381 CG1 VAL A 91 11.786 1.617 9.567 1.00 0.00 C ATOM 1382 CG2 VAL A 91 11.464 1.685 7.068 1.00 0.00 C ATOM 0 H VAL A 91 8.659 1.598 7.299 1.00 0.00 H new ATOM 0 HA VAL A 91 10.550 -0.443 7.912 1.00 0.00 H new ATOM 0 HB VAL A 91 10.104 2.452 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.330 2.562 9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.276 1.506 10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.487 0.793 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.088 2.578 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.088 0.802 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.722 1.733 6.271 1.00 0.00 H new ATOM 1392 N PHE A 92 8.661 0.131 10.414 1.00 0.00 N ATOM 1393 CA PHE A 92 8.365 -0.544 11.640 1.00 0.00 C ATOM 1394 C PHE A 92 7.809 -1.922 11.534 1.00 0.00 C ATOM 1395 O PHE A 92 8.220 -2.771 12.324 1.00 0.00 O ATOM 1396 CB PHE A 92 7.322 0.255 12.439 1.00 0.00 C ATOM 1397 CG PHE A 92 7.990 1.467 12.991 1.00 0.00 C ATOM 1398 CD1 PHE A 92 9.005 1.318 13.907 1.00 0.00 C ATOM 1399 CD2 PHE A 92 7.424 2.683 12.691 1.00 0.00 C ATOM 1400 CE1 PHE A 92 9.640 2.461 14.334 1.00 0.00 C ATOM 1401 CE2 PHE A 92 8.098 3.820 13.071 1.00 0.00 C ATOM 1402 CZ PHE A 92 9.162 3.686 13.931 1.00 0.00 C ATOM 0 H PHE A 92 8.098 0.959 10.217 1.00 0.00 H new ATOM 0 HA PHE A 92 9.344 -0.621 12.114 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.488 0.539 11.798 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.912 -0.354 13.245 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.292 0.344 14.276 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.479 2.744 12.173 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.504 2.397 14.979 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.800 4.791 12.704 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.642 4.578 14.305 1.00 0.00 H new ATOM 1412 N ASP A 93 6.782 -2.115 10.687 1.00 0.00 N ATOM 1413 CA ASP A 93 6.196 -3.414 10.564 1.00 0.00 C ATOM 1414 C ASP A 93 7.157 -4.358 9.927 1.00 0.00 C ATOM 1415 O ASP A 93 7.789 -3.969 8.946 1.00 0.00 O ATOM 1416 CB ASP A 93 4.892 -3.287 9.759 1.00 0.00 C ATOM 1417 CG ASP A 93 3.969 -4.497 9.780 1.00 0.00 C ATOM 1418 OD1 ASP A 93 3.941 -5.243 10.795 1.00 0.00 O ATOM 1419 OD2 ASP A 93 3.332 -4.832 8.746 1.00 0.00 O ATOM 0 H ASP A 93 6.365 -1.392 10.101 1.00 0.00 H new ATOM 0 HA ASP A 93 5.961 -3.820 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.339 -2.427 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.149 -3.070 8.722 1.00 0.00 H new ATOM 1424 N LYS A 94 7.332 -5.585 10.451 1.00 0.00 N ATOM 1425 CA LYS A 94 8.253 -6.548 9.931 1.00 0.00 C ATOM 1426 C LYS A 94 7.675 -7.510 8.950 1.00 0.00 C ATOM 1427 O LYS A 94 8.267 -7.692 7.887 1.00 0.00 O ATOM 1428 CB LYS A 94 9.010 -7.294 11.041 1.00 0.00 C ATOM 1429 CG LYS A 94 10.190 -8.118 10.522 1.00 0.00 C ATOM 1430 CD LYS A 94 11.062 -8.799 11.579 1.00 0.00 C ATOM 1431 CE LYS A 94 10.509 -10.116 12.127 1.00 0.00 C ATOM 1432 NZ LYS A 94 11.458 -10.718 13.090 1.00 0.00 N ATOM 0 H LYS A 94 6.815 -5.918 11.265 1.00 0.00 H new ATOM 0 HA LYS A 94 8.964 -5.944 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.374 -6.571 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.317 -7.954 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.802 -8.886 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.826 -7.465 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.046 -8.987 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.204 -8.109 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.550 -9.939 12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.326 -10.810 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.066 -11.611 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.364 -10.905 12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.612 -10.062 13.882 1.00 0.00 H new ATOM 1446 N ASP A 95 6.548 -8.184 9.240 1.00 0.00 N ATOM 1447 CA ASP A 95 5.991 -9.244 8.459 1.00 0.00 C ATOM 1448 C ASP A 95 5.297 -8.832 7.206 1.00 0.00 C ATOM 1449 O ASP A 95 5.223 -9.610 6.256 1.00 0.00 O ATOM 1450 CB ASP A 95 5.027 -10.094 9.304 1.00 0.00 C ATOM 1451 CG ASP A 95 4.292 -9.181 10.275 1.00 0.00 C ATOM 1452 OD1 ASP A 95 3.681 -8.162 9.854 1.00 0.00 O ATOM 1453 OD2 ASP A 95 4.263 -9.333 11.525 1.00 0.00 O ATOM 0 H ASP A 95 5.993 -7.976 10.070 1.00 0.00 H new ATOM 0 HA ASP A 95 6.861 -9.820 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.316 -10.611 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.578 -10.860 9.850 1.00 0.00 H new ATOM 1458 N GLY A 96 4.857 -7.564 7.288 1.00 0.00 N ATOM 1459 CA GLY A 96 4.138 -6.838 6.288 1.00 0.00 C ATOM 1460 C GLY A 96 2.667 -7.050 6.385 1.00 0.00 C ATOM 1461 O GLY A 96 1.913 -6.757 5.458 1.00 0.00 O ATOM 0 H GLY A 96 5.018 -7.002 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.357 -5.775 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.483 -7.145 5.301 1.00 0.00 H new ATOM 1465 N ASN A 97 2.180 -7.594 7.515 1.00 0.00 N ATOM 1466 CA ASN A 97 0.792 -7.730 7.831 1.00 0.00 C ATOM 1467 C ASN A 97 -0.013 -6.480 7.931 1.00 0.00 C ATOM 1468 O ASN A 97 -1.214 -6.556 7.678 1.00 0.00 O ATOM 1469 CB ASN A 97 0.382 -8.785 8.873 1.00 0.00 C ATOM 1470 CG ASN A 97 0.575 -8.334 10.313 1.00 0.00 C ATOM 1471 OD1 ASN A 97 1.108 -7.256 10.573 1.00 0.00 O ATOM 1472 ND2 ASN A 97 0.083 -9.105 11.320 1.00 0.00 N ATOM 0 H ASN A 97 2.789 -7.959 8.248 1.00 0.00 H new ATOM 0 HA ASN A 97 0.495 -8.179 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.666 -9.044 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.962 -9.692 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.157 -8.789 12.287 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.360 -9.999 11.108 1.00 0.00 H new ATOM 1479 N GLY A 98 0.606 -5.355 8.331 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.113 -4.131 8.507 1.00 0.00 C ATOM 1481 C GLY A 98 -0.374 -3.719 9.915 1.00 0.00 C ATOM 1482 O GLY A 98 -1.094 -2.747 10.137 1.00 0.00 O ATOM 0 H GLY A 98 1.604 -5.293 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.442 -3.333 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.070 -4.219 7.992 1.00 0.00 H new ATOM 1486 N TYR A 99 0.132 -4.505 10.883 1.00 0.00 N ATOM 1487 CA TYR A 99 -0.100 -4.375 12.288 1.00 0.00 C ATOM 1488 C TYR A 99 1.261 -4.376 12.895 1.00 0.00 C ATOM 1489 O TYR A 99 1.808 -5.464 13.068 1.00 0.00 O ATOM 1490 CB TYR A 99 -0.945 -5.550 12.808 1.00 0.00 C ATOM 1491 CG TYR A 99 -2.298 -5.434 12.195 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -3.148 -4.496 12.732 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -2.648 -6.337 11.219 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -4.411 -4.554 12.190 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -3.869 -6.202 10.602 1.00 0.00 C ATOM 1496 CZ TYR A 99 -4.785 -5.306 11.101 1.00 0.00 C ATOM 1497 OH TYR A 99 -6.024 -5.180 10.438 1.00 0.00 O ATOM 0 H TYR A 99 0.748 -5.288 10.666 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.656 -3.471 12.538 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.484 -6.501 12.542 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.013 -5.522 13.896 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.856 -3.791 13.496 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.977 -7.137 10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.177 -3.956 12.661 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.107 -6.795 9.732 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.063 -5.817 9.694 1.00 0.00 H new ATOM 1507 N ILE A 100 1.795 -3.229 13.353 1.00 0.00 N ATOM 1508 CA ILE A 100 2.974 -3.153 14.158 1.00 0.00 C ATOM 1509 C ILE A 100 2.757 -3.648 15.546 1.00 0.00 C ATOM 1510 O ILE A 100 1.893 -3.217 16.308 1.00 0.00 O ATOM 1511 CB ILE A 100 3.554 -1.770 14.190 1.00 0.00 C ATOM 1512 CG1 ILE A 100 3.847 -1.290 12.758 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.725 -1.739 15.186 1.00 0.00 C ATOM 1514 CD1 ILE A 100 3.988 0.225 12.623 1.00 0.00 C ATOM 0 H ILE A 100 1.387 -2.316 13.153 1.00 0.00 H new ATOM 0 HA ILE A 100 3.694 -3.815 13.677 1.00 0.00 H new ATOM 0 HB ILE A 100 2.847 -1.033 14.571 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.766 -1.762 12.409 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.045 -1.629 12.102 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.152 -0.736 15.215 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.365 -2.009 16.179 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.489 -2.450 14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.194 0.480 11.583 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.062 0.706 12.938 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.809 0.571 13.251 1.00 0.00 H new ATOM 1526 N SER A 101 3.440 -4.728 15.967 1.00 0.00 N ATOM 1527 CA SER A 101 3.494 -5.120 17.341 1.00 0.00 C ATOM 1528 C SER A 101 4.610 -4.448 18.065 1.00 0.00 C ATOM 1529 O SER A 101 5.521 -3.874 17.471 1.00 0.00 O ATOM 1530 CB SER A 101 3.835 -6.620 17.344 1.00 0.00 C ATOM 1531 OG SER A 101 4.971 -6.961 16.564 1.00 0.00 O ATOM 0 H SER A 101 3.964 -5.340 15.342 1.00 0.00 H new ATOM 0 HA SER A 101 2.549 -4.867 17.821 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.005 -6.940 18.372 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.974 -7.177 16.975 1.00 0.00 H new ATOM 0 HG SER A 101 4.702 -7.079 15.629 1.00 0.00 H new ATOM 1537 N ALA A 102 4.675 -4.684 19.387 1.00 0.00 N ATOM 1538 CA ALA A 102 5.756 -4.307 20.244 1.00 0.00 C ATOM 1539 C ALA A 102 7.145 -4.555 19.766 1.00 0.00 C ATOM 1540 O ALA A 102 7.954 -3.642 19.604 1.00 0.00 O ATOM 1541 CB ALA A 102 5.505 -4.912 21.635 1.00 0.00 C ATOM 0 H ALA A 102 3.928 -5.167 19.887 1.00 0.00 H new ATOM 0 HA ALA A 102 5.738 -3.217 20.264 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.320 -4.636 22.304 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.564 -4.532 22.033 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.453 -5.998 21.556 1.00 0.00 H new ATOM 1547 N ALA A 103 7.483 -5.827 19.488 1.00 0.00 N ATOM 1548 CA ALA A 103 8.740 -6.293 18.991 1.00 0.00 C ATOM 1549 C ALA A 103 9.096 -5.770 17.642 1.00 0.00 C ATOM 1550 O ALA A 103 10.285 -5.540 17.425 1.00 0.00 O ATOM 1551 CB ALA A 103 8.786 -7.830 18.994 1.00 0.00 C ATOM 0 H ALA A 103 6.821 -6.591 19.623 1.00 0.00 H new ATOM 0 HA ALA A 103 9.491 -5.896 19.675 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.750 -8.166 18.612 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.651 -8.196 20.012 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.989 -8.219 18.360 1.00 0.00 H new ATOM 1557 N GLU A 104 8.088 -5.478 16.800 1.00 0.00 N ATOM 1558 CA GLU A 104 8.415 -4.946 15.513 1.00 0.00 C ATOM 1559 C GLU A 104 8.825 -3.518 15.619 1.00 0.00 C ATOM 1560 O GLU A 104 9.872 -3.150 15.089 1.00 0.00 O ATOM 1561 CB GLU A 104 7.193 -5.010 14.581 1.00 0.00 C ATOM 1562 CG GLU A 104 7.006 -6.491 14.242 1.00 0.00 C ATOM 1563 CD GLU A 104 5.664 -6.606 13.533 1.00 0.00 C ATOM 1564 OE1 GLU A 104 4.577 -6.407 14.139 1.00 0.00 O ATOM 1565 OE2 GLU A 104 5.652 -6.899 12.308 1.00 0.00 O ATOM 0 H GLU A 104 7.094 -5.602 16.995 1.00 0.00 H new ATOM 0 HA GLU A 104 9.234 -5.543 15.113 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.307 -4.606 15.070 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.357 -4.420 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.814 -6.848 13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.021 -7.101 15.145 1.00 0.00 H new ATOM 1572 N LEU A 105 8.194 -2.740 16.516 1.00 0.00 N ATOM 1573 CA LEU A 105 8.633 -1.443 16.928 1.00 0.00 C ATOM 1574 C LEU A 105 9.970 -1.436 17.587 1.00 0.00 C ATOM 1575 O LEU A 105 10.835 -0.629 17.252 1.00 0.00 O ATOM 1576 CB LEU A 105 7.431 -0.709 17.545 1.00 0.00 C ATOM 1577 CG LEU A 105 7.539 0.771 17.952 1.00 0.00 C ATOM 1578 CD1 LEU A 105 6.267 1.632 17.873 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.251 1.024 19.291 1.00 0.00 C ATOM 0 H LEU A 105 7.332 -3.031 16.978 1.00 0.00 H new ATOM 0 HA LEU A 105 8.921 -0.804 16.093 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.608 -0.787 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.137 -1.266 18.435 1.00 0.00 H new ATOM 0 HG LEU A 105 8.175 1.119 17.138 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.496 2.650 18.190 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.900 1.645 16.847 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.502 1.212 18.527 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.278 2.095 19.492 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.711 0.518 20.091 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.269 0.639 19.240 1.00 0.00 H new ATOM 1591 N ARG A 106 10.264 -2.468 18.398 1.00 0.00 N ATOM 1592 CA ARG A 106 11.486 -2.599 19.129 1.00 0.00 C ATOM 1593 C ARG A 106 12.659 -2.826 18.239 1.00 0.00 C ATOM 1594 O ARG A 106 13.784 -2.370 18.438 1.00 0.00 O ATOM 1595 CB ARG A 106 11.374 -3.816 20.063 1.00 0.00 C ATOM 1596 CG ARG A 106 12.457 -3.842 21.143 1.00 0.00 C ATOM 1597 CD ARG A 106 12.210 -5.050 22.050 1.00 0.00 C ATOM 1598 NE ARG A 106 13.000 -4.750 23.277 1.00 0.00 N ATOM 1599 CZ ARG A 106 12.620 -5.145 24.528 1.00 0.00 C ATOM 1600 NH1 ARG A 106 11.567 -5.960 24.826 1.00 0.00 N ATOM 1601 NH2 ARG A 106 13.379 -4.751 25.592 1.00 0.00 N ATOM 0 H ARG A 106 9.621 -3.245 18.551 1.00 0.00 H new ATOM 0 HA ARG A 106 11.639 -1.669 19.676 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.394 -3.813 20.539 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.437 -4.729 19.471 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.445 -3.906 20.687 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.434 -2.921 21.725 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.150 -5.168 22.277 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.540 -5.976 21.580 1.00 0.00 H new ATOM 0 HE ARG A 106 13.868 -4.223 23.178 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.982 -6.332 24.078 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.365 -6.197 25.797 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.208 -4.175 25.442 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.117 -5.032 26.537 1.00 0.00 H new ATOM 1615 N HIS A 107 12.401 -3.480 17.092 1.00 0.00 N ATOM 1616 CA HIS A 107 13.461 -3.859 16.209 1.00 0.00 C ATOM 1617 C HIS A 107 14.026 -2.710 15.448 1.00 0.00 C ATOM 1618 O HIS A 107 15.220 -2.513 15.231 1.00 0.00 O ATOM 1619 CB HIS A 107 13.010 -4.950 15.223 1.00 0.00 C ATOM 1620 CG HIS A 107 13.932 -5.513 14.183 1.00 0.00 C ATOM 1621 ND1 HIS A 107 15.256 -5.140 14.068 1.00 0.00 N ATOM 1622 CD2 HIS A 107 13.643 -6.239 13.070 1.00 0.00 C ATOM 1623 CE1 HIS A 107 15.709 -5.721 12.925 1.00 0.00 C ATOM 1624 NE2 HIS A 107 14.769 -6.395 12.288 1.00 0.00 N ATOM 0 H HIS A 107 11.467 -3.745 16.778 1.00 0.00 H new ATOM 0 HA HIS A 107 14.248 -4.252 16.852 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.662 -5.791 15.823 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.143 -4.556 14.694 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.786 -4.550 14.709 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.668 -6.638 12.831 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.728 -5.640 12.576 1.00 0.00 H new ATOM 1632 N VAL A 108 13.126 -1.778 15.087 1.00 0.00 N ATOM 1633 CA VAL A 108 13.592 -0.579 14.460 1.00 0.00 C ATOM 1634 C VAL A 108 14.273 0.299 15.453 1.00 0.00 C ATOM 1635 O VAL A 108 15.311 0.915 15.219 1.00 0.00 O ATOM 1636 CB VAL A 108 12.462 0.147 13.793 1.00 0.00 C ATOM 1637 CG1 VAL A 108 12.864 1.550 13.308 1.00 0.00 C ATOM 1638 CG2 VAL A 108 12.049 -0.611 12.520 1.00 0.00 C ATOM 0 H VAL A 108 12.117 -1.846 15.221 1.00 0.00 H new ATOM 0 HA VAL A 108 14.316 -0.853 13.692 1.00 0.00 H new ATOM 0 HB VAL A 108 11.668 0.216 14.536 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.008 2.030 12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.191 2.149 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.679 1.467 12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.228 -0.085 12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.898 -0.667 11.839 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.728 -1.619 12.784 1.00 0.00 H new ATOM 1648 N MET A 109 13.819 0.339 16.719 1.00 0.00 N ATOM 1649 CA MET A 109 14.404 1.183 17.713 1.00 0.00 C ATOM 1650 C MET A 109 15.786 0.757 18.071 1.00 0.00 C ATOM 1651 O MET A 109 16.764 1.499 18.147 1.00 0.00 O ATOM 1652 CB MET A 109 13.435 1.465 18.874 1.00 0.00 C ATOM 1653 CG MET A 109 12.159 2.244 18.547 1.00 0.00 C ATOM 1654 SD MET A 109 12.606 3.913 17.981 1.00 0.00 S ATOM 1655 CE MET A 109 10.865 4.428 17.987 1.00 0.00 C ATOM 0 H MET A 109 13.036 -0.221 17.056 1.00 0.00 H new ATOM 0 HA MET A 109 14.563 2.173 17.285 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.145 0.510 19.311 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.979 2.015 19.642 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.590 1.726 17.775 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.520 2.305 19.428 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.792 5.468 17.668 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.297 3.798 17.303 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.459 4.328 18.994 1.00 0.00 H new ATOM 1665 N THR A 110 15.956 -0.571 18.198 1.00 0.00 N ATOM 1666 CA THR A 110 17.230 -1.220 18.209 1.00 0.00 C ATOM 1667 C THR A 110 18.044 -1.063 16.971 1.00 0.00 C ATOM 1668 O THR A 110 19.241 -0.853 17.167 1.00 0.00 O ATOM 1669 CB THR A 110 17.190 -2.652 18.653 1.00 0.00 C ATOM 1670 OG1 THR A 110 16.548 -3.594 17.806 1.00 0.00 O ATOM 1671 CG2 THR A 110 16.777 -2.870 20.118 1.00 0.00 C ATOM 0 H THR A 110 15.174 -1.219 18.297 1.00 0.00 H new ATOM 0 HA THR A 110 17.758 -0.658 18.980 1.00 0.00 H new ATOM 0 HB THR A 110 18.252 -2.881 18.561 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.182 -3.133 17.022 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.778 -3.937 20.342 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.482 -2.361 20.775 1.00 0.00 H new ATOM 0 HG23 THR A 110 15.777 -2.467 20.278 1.00 0.00 H new ATOM 1679 N ASN A 111 17.579 -1.074 15.710 1.00 0.00 N ATOM 1680 CA ASN A 111 18.353 -0.701 14.566 1.00 0.00 C ATOM 1681 C ASN A 111 18.809 0.717 14.522 1.00 0.00 C ATOM 1682 O ASN A 111 19.863 1.031 13.970 1.00 0.00 O ATOM 1683 CB ASN A 111 17.530 -0.815 13.272 1.00 0.00 C ATOM 1684 CG ASN A 111 17.286 -2.270 12.898 1.00 0.00 C ATOM 1685 OD1 ASN A 111 17.984 -3.214 13.265 1.00 0.00 O ATOM 1686 ND2 ASN A 111 16.343 -2.491 11.943 1.00 0.00 N ATOM 0 H ASN A 111 16.626 -1.354 15.477 1.00 0.00 H new ATOM 0 HA ASN A 111 19.202 -1.381 14.645 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.575 -0.305 13.400 1.00 0.00 H new ATOM 0 HB3 ASN A 111 18.054 -0.311 12.460 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.227 -3.424 11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.752 -1.724 11.623 1.00 0.00 H new ATOM 1693 N LEU A 112 18.060 1.633 15.161 1.00 0.00 N ATOM 1694 CA LEU A 112 18.418 3.015 15.240 1.00 0.00 C ATOM 1695 C LEU A 112 19.453 3.272 16.281 1.00 0.00 C ATOM 1696 O LEU A 112 20.296 4.152 16.115 1.00 0.00 O ATOM 1697 CB LEU A 112 17.273 3.999 15.529 1.00 0.00 C ATOM 1698 CG LEU A 112 16.238 3.977 14.392 1.00 0.00 C ATOM 1699 CD1 LEU A 112 14.919 4.700 14.710 1.00 0.00 C ATOM 1700 CD2 LEU A 112 16.711 4.511 13.029 1.00 0.00 C ATOM 0 H LEU A 112 17.185 1.408 15.634 1.00 0.00 H new ATOM 0 HA LEU A 112 18.783 3.202 14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.791 3.738 16.471 1.00 0.00 H new ATOM 0 HB3 LEU A 112 17.673 5.006 15.644 1.00 0.00 H new ATOM 0 HG LEU A 112 16.079 2.901 14.314 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.251 4.633 13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.447 4.233 15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 112 15.122 5.748 14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 112 15.895 4.445 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 112 17.019 5.551 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 112 17.554 3.916 12.678 1.00 0.00 H new ATOM 1712 N GLY A 113 19.367 2.523 17.394 1.00 0.00 N ATOM 1713 CA GLY A 113 20.332 2.545 18.450 1.00 0.00 C ATOM 1714 C GLY A 113 19.796 3.213 19.670 1.00 0.00 C ATOM 1715 O GLY A 113 20.559 3.587 20.559 1.00 0.00 O ATOM 0 H GLY A 113 18.596 1.877 17.566 1.00 0.00 H new ATOM 0 HA2 GLY A 113 20.629 1.525 18.694 1.00 0.00 H new ATOM 0 HA3 GLY A 113 21.228 3.066 18.114 1.00 0.00 H new ATOM 1719 N GLU A 114 18.464 3.377 19.747 1.00 0.00 N ATOM 1720 CA GLU A 114 17.867 4.088 20.835 1.00 0.00 C ATOM 1721 C GLU A 114 17.658 3.088 21.920 1.00 0.00 C ATOM 1722 O GLU A 114 17.349 1.942 21.596 1.00 0.00 O ATOM 1723 CB GLU A 114 16.513 4.585 20.302 1.00 0.00 C ATOM 1724 CG GLU A 114 15.771 5.597 21.176 1.00 0.00 C ATOM 1725 CD GLU A 114 16.345 6.998 21.024 1.00 0.00 C ATOM 1726 OE1 GLU A 114 17.345 7.288 21.734 1.00 0.00 O ATOM 1727 OE2 GLU A 114 15.873 7.747 20.127 1.00 0.00 O ATOM 0 H GLU A 114 17.802 3.019 19.059 1.00 0.00 H new ATOM 0 HA GLU A 114 18.462 4.921 21.209 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.675 5.033 19.322 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.865 3.721 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.715 5.605 20.907 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.832 5.290 22.220 1.00 0.00 H new ATOM 1734 N LYS A 115 17.862 3.388 23.215 1.00 0.00 N ATOM 1735 CA LYS A 115 17.778 2.472 24.310 1.00 0.00 C ATOM 1736 C LYS A 115 16.484 2.746 24.998 1.00 0.00 C ATOM 1737 O LYS A 115 16.298 3.826 25.555 1.00 0.00 O ATOM 1738 CB LYS A 115 19.066 2.578 25.144 1.00 0.00 C ATOM 1739 CG LYS A 115 19.304 1.313 25.971 1.00 0.00 C ATOM 1740 CD LYS A 115 20.637 1.419 26.715 1.00 0.00 C ATOM 1741 CE LYS A 115 20.705 2.614 27.669 1.00 0.00 C ATOM 1742 NZ LYS A 115 21.990 2.627 28.402 1.00 0.00 N ATOM 0 H LYS A 115 18.101 4.333 23.516 1.00 0.00 H new ATOM 0 HA LYS A 115 17.745 1.419 24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.916 2.747 24.483 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.001 3.441 25.807 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.490 1.175 26.683 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.309 0.439 25.320 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.804 0.502 27.280 1.00 0.00 H new ATOM 0 HD3 LYS A 115 21.446 1.497 25.988 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.592 3.541 27.107 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.877 2.568 28.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.016 3.445 29.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 22.083 1.751 28.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 22.776 2.694 27.724 1.00 0.00 H new ATOM 1756 N LEU A 116 15.563 1.788 24.792 1.00 0.00 N ATOM 1757 CA LEU A 116 14.230 1.711 25.304 1.00 0.00 C ATOM 1758 C LEU A 116 14.000 0.515 26.162 1.00 0.00 C ATOM 1759 O LEU A 116 14.459 -0.577 25.831 1.00 0.00 O ATOM 1760 CB LEU A 116 13.251 1.610 24.121 1.00 0.00 C ATOM 1761 CG LEU A 116 13.249 2.851 23.212 1.00 0.00 C ATOM 1762 CD1 LEU A 116 12.339 2.779 21.974 1.00 0.00 C ATOM 1763 CD2 LEU A 116 12.881 4.180 23.892 1.00 0.00 C ATOM 0 H LEU A 116 15.778 0.983 24.204 1.00 0.00 H new ATOM 0 HA LEU A 116 14.075 2.605 25.908 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.505 0.734 23.524 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.244 1.452 24.507 1.00 0.00 H new ATOM 0 HG LEU A 116 14.300 2.837 22.923 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.419 3.708 21.409 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.646 1.944 21.345 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.306 2.634 22.290 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.912 4.985 23.158 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.877 4.109 24.311 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.593 4.390 24.690 1.00 0.00 H new ATOM 1775 N THR A 117 13.371 0.710 27.335 1.00 0.00 N ATOM 1776 CA THR A 117 12.918 -0.322 28.214 1.00 0.00 C ATOM 1777 C THR A 117 11.703 -0.969 27.645 1.00 0.00 C ATOM 1778 O THR A 117 11.156 -0.421 26.689 1.00 0.00 O ATOM 1779 CB THR A 117 12.544 0.103 29.603 1.00 0.00 C ATOM 1780 OG1 THR A 117 11.460 1.018 29.672 1.00 0.00 O ATOM 1781 CG2 THR A 117 13.746 0.862 30.190 1.00 0.00 C ATOM 0 H THR A 117 13.167 1.644 27.690 1.00 0.00 H new ATOM 0 HA THR A 117 13.782 -0.981 28.296 1.00 0.00 H new ATOM 0 HB THR A 117 12.259 -0.807 30.131 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.716 1.861 29.243 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.511 1.188 31.203 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.615 0.205 30.213 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.965 1.732 29.571 1.00 0.00 H new ATOM 1789 N ASP A 118 11.254 -2.134 28.145 1.00 0.00 N ATOM 1790 CA ASP A 118 10.036 -2.754 27.724 1.00 0.00 C ATOM 1791 C ASP A 118 8.823 -1.934 27.996 1.00 0.00 C ATOM 1792 O ASP A 118 7.837 -2.012 27.265 1.00 0.00 O ATOM 1793 CB ASP A 118 9.791 -4.138 28.348 1.00 0.00 C ATOM 1794 CG ASP A 118 10.870 -5.099 27.869 1.00 0.00 C ATOM 1795 OD1 ASP A 118 12.067 -4.767 28.083 1.00 0.00 O ATOM 1796 OD2 ASP A 118 10.576 -6.194 27.320 1.00 0.00 O ATOM 0 H ASP A 118 11.752 -2.660 28.863 1.00 0.00 H new ATOM 0 HA ASP A 118 10.185 -2.857 26.649 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.806 -4.068 29.436 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.805 -4.508 28.066 1.00 0.00 H new ATOM 1801 N GLU A 119 8.738 -1.182 29.108 1.00 0.00 N ATOM 1802 CA GLU A 119 7.753 -0.206 29.458 1.00 0.00 C ATOM 1803 C GLU A 119 7.590 0.916 28.491 1.00 0.00 C ATOM 1804 O GLU A 119 6.522 1.432 28.164 1.00 0.00 O ATOM 1805 CB GLU A 119 7.966 0.311 30.891 1.00 0.00 C ATOM 1806 CG GLU A 119 6.829 1.195 31.406 1.00 0.00 C ATOM 1807 CD GLU A 119 7.102 1.861 32.747 1.00 0.00 C ATOM 1808 OE1 GLU A 119 7.430 1.196 33.765 1.00 0.00 O ATOM 1809 OE2 GLU A 119 6.875 3.095 32.871 1.00 0.00 O ATOM 0 H GLU A 119 9.440 -1.271 29.842 1.00 0.00 H new ATOM 0 HA GLU A 119 6.806 -0.743 29.408 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.083 -0.541 31.561 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.898 0.876 30.928 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.624 1.969 30.666 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.927 0.590 31.493 1.00 0.00 H new ATOM 1816 N GLU A 120 8.684 1.430 27.901 1.00 0.00 N ATOM 1817 CA GLU A 120 8.728 2.443 26.893 1.00 0.00 C ATOM 1818 C GLU A 120 8.147 2.054 25.577 1.00 0.00 C ATOM 1819 O GLU A 120 7.283 2.707 24.993 1.00 0.00 O ATOM 1820 CB GLU A 120 10.126 3.053 26.696 1.00 0.00 C ATOM 1821 CG GLU A 120 10.681 3.953 27.802 1.00 0.00 C ATOM 1822 CD GLU A 120 12.188 4.159 27.858 1.00 0.00 C ATOM 1823 OE1 GLU A 120 12.907 3.224 28.299 1.00 0.00 O ATOM 1824 OE2 GLU A 120 12.656 5.295 27.579 1.00 0.00 O ATOM 0 H GLU A 120 9.618 1.107 28.153 1.00 0.00 H new ATOM 0 HA GLU A 120 8.073 3.211 27.304 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.830 2.234 26.548 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.111 3.631 25.772 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.212 4.932 27.704 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.363 3.542 28.760 1.00 0.00 H new ATOM 1831 N VAL A 121 8.538 0.902 25.004 1.00 0.00 N ATOM 1832 CA VAL A 121 7.985 0.177 23.902 1.00 0.00 C ATOM 1833 C VAL A 121 6.508 -0.018 23.950 1.00 0.00 C ATOM 1834 O VAL A 121 5.763 0.366 23.050 1.00 0.00 O ATOM 1835 CB VAL A 121 8.681 -1.122 23.620 1.00 0.00 C ATOM 1836 CG1 VAL A 121 8.138 -1.860 22.385 1.00 0.00 C ATOM 1837 CG2 VAL A 121 10.185 -0.813 23.541 1.00 0.00 C ATOM 0 H VAL A 121 9.357 0.416 25.369 1.00 0.00 H new ATOM 0 HA VAL A 121 8.177 0.846 23.063 1.00 0.00 H new ATOM 0 HB VAL A 121 8.486 -1.831 24.425 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.690 -2.789 22.245 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.081 -2.084 22.530 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.258 -1.231 21.503 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.735 -1.732 23.337 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.367 -0.095 22.741 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.520 -0.393 24.489 1.00 0.00 H new ATOM 1847 N ASP A 122 6.052 -0.566 25.090 1.00 0.00 N ATOM 1848 CA ASP A 122 4.678 -0.710 25.458 1.00 0.00 C ATOM 1849 C ASP A 122 3.916 0.549 25.694 1.00 0.00 C ATOM 1850 O ASP A 122 2.725 0.610 25.394 1.00 0.00 O ATOM 1851 CB ASP A 122 4.629 -1.510 26.771 1.00 0.00 C ATOM 1852 CG ASP A 122 3.255 -2.051 27.137 1.00 0.00 C ATOM 1853 OD1 ASP A 122 2.617 -2.799 26.349 1.00 0.00 O ATOM 1854 OD2 ASP A 122 2.755 -1.740 28.251 1.00 0.00 O ATOM 0 H ASP A 122 6.685 -0.932 25.801 1.00 0.00 H new ATOM 0 HA ASP A 122 4.204 -1.192 24.603 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.325 -2.345 26.697 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.981 -0.872 27.582 1.00 0.00 H new ATOM 1859 N GLU A 123 4.579 1.697 25.924 1.00 0.00 N ATOM 1860 CA GLU A 123 3.979 2.991 26.013 1.00 0.00 C ATOM 1861 C GLU A 123 3.774 3.465 24.615 1.00 0.00 C ATOM 1862 O GLU A 123 2.708 3.951 24.239 1.00 0.00 O ATOM 1863 CB GLU A 123 4.781 4.025 26.821 1.00 0.00 C ATOM 1864 CG GLU A 123 4.132 5.403 26.967 1.00 0.00 C ATOM 1865 CD GLU A 123 4.761 6.218 28.088 1.00 0.00 C ATOM 1866 OE1 GLU A 123 5.962 6.596 28.034 1.00 0.00 O ATOM 1867 OE2 GLU A 123 4.002 6.563 29.033 1.00 0.00 O ATOM 0 H GLU A 123 5.590 1.722 26.055 1.00 0.00 H new ATOM 0 HA GLU A 123 3.044 2.892 26.565 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.960 3.621 27.817 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.755 4.151 26.349 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.225 5.948 26.028 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.066 5.282 27.162 1.00 0.00 H new ATOM 1874 N MET A 124 4.800 3.364 23.752 1.00 0.00 N ATOM 1875 CA MET A 124 4.699 3.632 22.351 1.00 0.00 C ATOM 1876 C MET A 124 3.661 2.902 21.569 1.00 0.00 C ATOM 1877 O MET A 124 2.963 3.526 20.773 1.00 0.00 O ATOM 1878 CB MET A 124 6.080 3.447 21.701 1.00 0.00 C ATOM 1879 CG MET A 124 7.124 4.437 22.221 1.00 0.00 C ATOM 1880 SD MET A 124 8.819 3.975 21.757 1.00 0.00 S ATOM 1881 CE MET A 124 9.528 5.646 21.719 1.00 0.00 C ATOM 0 H MET A 124 5.737 3.085 24.041 1.00 0.00 H new ATOM 0 HA MET A 124 4.347 4.663 22.309 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.428 2.431 21.885 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.985 3.561 20.621 1.00 0.00 H new ATOM 0 HG2 MET A 124 6.903 5.431 21.831 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.052 4.498 23.307 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.583 5.588 21.450 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.998 6.249 20.982 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.430 6.105 22.703 1.00 0.00 H new ATOM 1891 N ILE A 125 3.483 1.591 21.814 1.00 0.00 N ATOM 1892 CA ILE A 125 2.370 0.875 21.274 1.00 0.00 C ATOM 1893 C ILE A 125 1.030 1.283 21.783 1.00 0.00 C ATOM 1894 O ILE A 125 0.124 1.599 21.014 1.00 0.00 O ATOM 1895 CB ILE A 125 2.450 -0.615 21.428 1.00 0.00 C ATOM 1896 CG1 ILE A 125 3.702 -1.237 20.786 1.00 0.00 C ATOM 1897 CG2 ILE A 125 1.250 -1.306 20.758 1.00 0.00 C ATOM 1898 CD1 ILE A 125 3.809 -1.037 19.275 1.00 0.00 C ATOM 0 H ILE A 125 4.111 1.027 22.387 1.00 0.00 H new ATOM 0 HA ILE A 125 2.456 1.154 20.224 1.00 0.00 H new ATOM 0 HB ILE A 125 2.472 -0.773 22.506 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.587 -0.811 21.259 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.710 -2.306 20.999 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.334 -2.385 20.885 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.326 -0.957 21.218 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.239 -1.066 19.695 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.721 -1.508 18.909 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.946 -1.489 18.786 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.836 0.029 19.050 1.00 0.00 H new ATOM 1910 N ARG A 126 0.740 1.204 23.094 1.00 0.00 N ATOM 1911 CA ARG A 126 -0.516 1.560 23.678 1.00 0.00 C ATOM 1912 C ARG A 126 -0.972 2.954 23.416 1.00 0.00 C ATOM 1913 O ARG A 126 -2.172 3.112 23.195 1.00 0.00 O ATOM 1914 CB ARG A 126 -0.320 1.370 25.191 1.00 0.00 C ATOM 1915 CG ARG A 126 -1.643 1.333 25.958 1.00 0.00 C ATOM 1916 CD ARG A 126 -1.508 1.528 27.469 1.00 0.00 C ATOM 1917 NE ARG A 126 -1.236 2.990 27.552 1.00 0.00 N ATOM 1918 CZ ARG A 126 -0.205 3.648 28.160 1.00 0.00 C ATOM 1919 NH1 ARG A 126 0.734 3.005 28.913 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -0.091 5.007 28.105 1.00 0.00 N ATOM 0 H ARG A 126 1.417 0.875 23.782 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.292 0.936 23.235 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.224 0.443 25.369 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.297 2.181 25.578 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.299 2.108 25.562 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.130 0.376 25.770 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.416 1.248 28.002 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.696 0.934 27.889 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.920 3.587 27.087 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.682 1.994 29.039 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.488 3.535 29.350 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.786 5.557 27.601 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.689 5.472 28.568 1.00 0.00 H new ATOM 1934 N GLU A 127 -0.080 3.959 23.358 1.00 0.00 N ATOM 1935 CA GLU A 127 -0.353 5.318 23.009 1.00 0.00 C ATOM 1936 C GLU A 127 -0.750 5.495 21.583 1.00 0.00 C ATOM 1937 O GLU A 127 -1.538 6.386 21.272 1.00 0.00 O ATOM 1938 CB GLU A 127 0.762 6.332 23.311 1.00 0.00 C ATOM 1939 CG GLU A 127 0.966 6.676 24.788 1.00 0.00 C ATOM 1940 CD GLU A 127 -0.231 7.499 25.244 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.472 8.669 24.843 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -0.869 6.957 26.185 1.00 0.00 O ATOM 0 H GLU A 127 0.906 3.808 23.572 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.189 5.540 23.672 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.700 5.941 22.915 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.546 7.253 22.769 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.054 5.767 25.383 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.890 7.237 24.925 1.00 0.00 H new ATOM 1949 N ALA A 128 -0.093 4.761 20.667 1.00 0.00 N ATOM 1950 CA ALA A 128 -0.486 4.632 19.298 1.00 0.00 C ATOM 1951 C ALA A 128 -1.713 3.859 18.953 1.00 0.00 C ATOM 1952 O ALA A 128 -2.431 4.119 17.989 1.00 0.00 O ATOM 1953 CB ALA A 128 0.759 4.229 18.490 1.00 0.00 C ATOM 0 H ALA A 128 0.751 4.233 20.891 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.858 5.616 19.012 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.492 4.122 17.439 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.525 4.998 18.593 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.144 3.281 18.864 1.00 0.00 H new ATOM 1959 N ASP A 129 -2.014 2.812 19.741 1.00 0.00 N ATOM 1960 CA ASP A 129 -3.091 1.883 19.599 1.00 0.00 C ATOM 1961 C ASP A 129 -4.328 2.487 20.171 1.00 0.00 C ATOM 1962 O ASP A 129 -4.407 2.937 21.313 1.00 0.00 O ATOM 1963 CB ASP A 129 -2.725 0.550 20.274 1.00 0.00 C ATOM 1964 CG ASP A 129 -3.869 -0.438 20.452 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -4.653 -0.636 19.486 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -4.050 -0.962 21.584 1.00 0.00 O ATOM 0 H ASP A 129 -1.444 2.597 20.559 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.275 1.668 18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -1.943 0.069 19.686 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.300 0.765 21.254 1.00 0.00 H new ATOM 1971 N ILE A 130 -5.377 2.593 19.335 1.00 0.00 N ATOM 1972 CA ILE A 130 -6.676 3.107 19.636 1.00 0.00 C ATOM 1973 C ILE A 130 -7.685 2.099 20.068 1.00 0.00 C ATOM 1974 O ILE A 130 -8.318 2.287 21.106 1.00 0.00 O ATOM 1975 CB ILE A 130 -7.183 4.048 18.584 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -6.141 5.109 18.192 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -8.557 4.719 18.748 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -6.323 5.631 16.767 1.00 0.00 C ATOM 0 H ILE A 130 -5.307 2.292 18.363 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.522 3.699 20.538 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.359 3.328 17.785 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -6.202 5.945 18.889 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -5.143 4.683 18.292 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.752 5.363 17.891 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -9.331 3.954 18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.564 5.316 19.660 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -5.557 6.376 16.552 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.233 4.804 16.062 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.309 6.085 16.669 1.00 0.00 H new ATOM 1990 N ASP A 131 -7.900 1.043 19.263 1.00 0.00 N ATOM 1991 CA ASP A 131 -8.858 0.041 19.614 1.00 0.00 C ATOM 1992 C ASP A 131 -8.637 -0.918 20.733 1.00 0.00 C ATOM 1993 O ASP A 131 -9.532 -1.618 21.204 1.00 0.00 O ATOM 1994 CB ASP A 131 -9.336 -0.643 18.323 1.00 0.00 C ATOM 1995 CG ASP A 131 -8.159 -1.317 17.632 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -7.424 -2.083 18.311 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -7.793 -0.986 16.473 1.00 0.00 O ATOM 0 H ASP A 131 -7.417 0.884 18.379 1.00 0.00 H new ATOM 0 HA ASP A 131 -9.625 0.627 20.120 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -10.105 -1.380 18.554 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -9.789 0.092 17.657 1.00 0.00 H new ATOM 2002 N GLY A 132 -7.429 -0.941 21.324 1.00 0.00 N ATOM 2003 CA GLY A 132 -7.096 -1.526 22.586 1.00 0.00 C ATOM 2004 C GLY A 132 -6.574 -2.916 22.461 1.00 0.00 C ATOM 2005 O GLY A 132 -6.395 -3.497 23.530 1.00 0.00 O ATOM 0 H GLY A 132 -6.617 -0.513 20.879 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -6.349 -0.906 23.082 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -7.980 -1.531 23.223 1.00 0.00 H new ATOM 2009 N ASP A 133 -6.336 -3.380 21.221 1.00 0.00 N ATOM 2010 CA ASP A 133 -5.800 -4.700 21.097 1.00 0.00 C ATOM 2011 C ASP A 133 -4.364 -4.968 21.391 1.00 0.00 C ATOM 2012 O ASP A 133 -3.926 -6.084 21.666 1.00 0.00 O ATOM 2013 CB ASP A 133 -6.131 -5.228 19.692 1.00 0.00 C ATOM 2014 CG ASP A 133 -5.163 -4.839 18.584 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -4.831 -3.642 18.370 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -4.527 -5.743 17.979 1.00 0.00 O ATOM 0 H ASP A 133 -6.503 -2.876 20.350 1.00 0.00 H new ATOM 0 HA ASP A 133 -6.288 -5.222 21.920 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -6.181 -6.316 19.738 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.125 -4.875 19.418 1.00 0.00 H new ATOM 2021 N GLY A 134 -3.598 -3.872 21.251 1.00 0.00 N ATOM 2022 CA GLY A 134 -2.184 -3.866 21.468 1.00 0.00 C ATOM 2023 C GLY A 134 -1.397 -3.802 20.205 1.00 0.00 C ATOM 2024 O GLY A 134 -0.182 -3.957 20.313 1.00 0.00 O ATOM 0 H GLY A 134 -3.973 -2.963 20.979 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.923 -3.013 22.095 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.904 -4.764 22.018 1.00 0.00 H new ATOM 2028 N GLN A 135 -1.968 -3.714 18.990 1.00 0.00 N ATOM 2029 CA GLN A 135 -1.235 -3.633 17.765 1.00 0.00 C ATOM 2030 C GLN A 135 -1.536 -2.338 17.093 1.00 0.00 C ATOM 2031 O GLN A 135 -2.675 -1.876 17.153 1.00 0.00 O ATOM 2032 CB GLN A 135 -1.488 -4.794 16.787 1.00 0.00 C ATOM 2033 CG GLN A 135 -0.819 -6.120 17.152 1.00 0.00 C ATOM 2034 CD GLN A 135 -0.980 -7.227 16.120 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -0.060 -7.827 15.566 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -2.266 -7.415 15.717 1.00 0.00 N ATOM 0 H GLN A 135 -2.979 -3.699 18.856 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.183 -3.703 18.040 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.563 -4.957 16.715 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.144 -4.494 15.797 1.00 0.00 H new ATOM 0 HG2 GLN A 135 0.245 -5.942 17.309 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -1.227 -6.467 18.101 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.024 -6.914 16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -2.472 -8.057 14.951 1.00 0.00 H new ATOM 2045 N VAL A 136 -0.558 -1.726 16.401 1.00 0.00 N ATOM 2046 CA VAL A 136 -0.773 -0.439 15.815 1.00 0.00 C ATOM 2047 C VAL A 136 -1.099 -0.728 14.390 1.00 0.00 C ATOM 2048 O VAL A 136 -0.313 -1.361 13.688 1.00 0.00 O ATOM 2049 CB VAL A 136 0.430 0.452 15.913 1.00 0.00 C ATOM 2050 CG1 VAL A 136 0.016 1.831 15.374 1.00 0.00 C ATOM 2051 CG2 VAL A 136 0.699 0.551 17.424 1.00 0.00 C ATOM 0 H VAL A 136 0.372 -2.117 16.248 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.565 0.101 16.335 1.00 0.00 H new ATOM 0 HB VAL A 136 1.301 0.095 15.363 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.865 2.512 15.427 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.307 1.734 14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.804 2.225 15.974 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.567 1.187 17.598 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.171 0.980 17.921 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.892 -0.444 17.825 1.00 0.00 H new ATOM 2061 N ASN A 137 -2.249 -0.212 13.920 1.00 0.00 N ATOM 2062 CA ASN A 137 -2.659 -0.371 12.559 1.00 0.00 C ATOM 2063 C ASN A 137 -2.262 0.881 11.854 1.00 0.00 C ATOM 2064 O ASN A 137 -1.608 1.765 12.405 1.00 0.00 O ATOM 2065 CB ASN A 137 -3.993 -1.103 12.337 1.00 0.00 C ATOM 2066 CG ASN A 137 -5.136 -0.110 12.491 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -5.259 0.972 11.919 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -6.117 -0.676 13.243 1.00 0.00 N ATOM 0 H ASN A 137 -2.903 0.323 14.492 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.140 -1.155 12.007 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.015 -1.551 11.344 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.101 -1.915 13.056 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.012 -0.200 13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.958 -1.577 13.695 1.00 0.00 H new ATOM 2075 N TYR A 138 -2.532 0.970 10.540 1.00 0.00 N ATOM 2076 CA TYR A 138 -2.243 2.107 9.722 1.00 0.00 C ATOM 2077 C TYR A 138 -2.933 3.325 10.233 1.00 0.00 C ATOM 2078 O TYR A 138 -2.287 4.367 10.337 1.00 0.00 O ATOM 2079 CB TYR A 138 -2.451 1.821 8.225 1.00 0.00 C ATOM 2080 CG TYR A 138 -1.598 2.745 7.425 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -0.233 2.604 7.329 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -2.217 3.766 6.745 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.561 3.475 6.621 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -1.442 4.688 6.081 1.00 0.00 C ATOM 2085 CZ TYR A 138 -0.081 4.517 5.993 1.00 0.00 C ATOM 2086 OH TYR A 138 0.633 5.296 5.058 1.00 0.00 O ATOM 0 H TYR A 138 -2.974 0.211 10.022 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.178 2.325 9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -2.195 0.785 8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.500 1.954 7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.236 1.772 7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.294 3.843 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 138 1.632 3.348 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.905 5.551 5.626 1.00 0.00 H new ATOM 0 HH TYR A 138 0.046 5.993 4.697 1.00 0.00 H new ATOM 2096 N GLU A 139 -4.249 3.360 10.505 1.00 0.00 N ATOM 2097 CA GLU A 139 -4.905 4.568 10.900 1.00 0.00 C ATOM 2098 C GLU A 139 -4.497 4.986 12.271 1.00 0.00 C ATOM 2099 O GLU A 139 -4.440 6.191 12.510 1.00 0.00 O ATOM 2100 CB GLU A 139 -6.419 4.452 10.651 1.00 0.00 C ATOM 2101 CG GLU A 139 -7.292 3.915 11.787 1.00 0.00 C ATOM 2102 CD GLU A 139 -8.774 4.060 11.474 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -9.244 3.383 10.521 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -9.470 4.895 12.112 1.00 0.00 O ATOM 0 H GLU A 139 -4.862 2.547 10.451 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.578 5.398 10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.791 5.441 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.567 3.809 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.058 2.865 11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.060 4.450 12.708 1.00 0.00 H new ATOM 2111 N GLU A 140 -4.124 4.040 13.151 1.00 0.00 N ATOM 2112 CA GLU A 140 -3.650 4.326 14.470 1.00 0.00 C ATOM 2113 C GLU A 140 -2.299 4.953 14.488 1.00 0.00 C ATOM 2114 O GLU A 140 -1.914 5.848 15.240 1.00 0.00 O ATOM 2115 CB GLU A 140 -3.586 2.919 15.087 1.00 0.00 C ATOM 2116 CG GLU A 140 -4.954 2.234 15.057 1.00 0.00 C ATOM 2117 CD GLU A 140 -4.956 0.977 15.915 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -4.197 0.011 15.634 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -5.741 0.894 16.897 1.00 0.00 O ATOM 0 H GLU A 140 -4.153 3.043 12.938 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.285 5.040 14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.862 2.313 14.542 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.234 2.987 16.116 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.718 2.924 15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.213 1.977 14.030 1.00 0.00 H new ATOM 2126 N PHE A 141 -1.392 4.434 13.641 1.00 0.00 N ATOM 2127 CA PHE A 141 -0.072 4.974 13.532 1.00 0.00 C ATOM 2128 C PHE A 141 -0.104 6.354 12.972 1.00 0.00 C ATOM 2129 O PHE A 141 0.581 7.319 13.308 1.00 0.00 O ATOM 2130 CB PHE A 141 0.793 4.026 12.685 1.00 0.00 C ATOM 2131 CG PHE A 141 2.190 4.438 12.372 1.00 0.00 C ATOM 2132 CD1 PHE A 141 3.178 4.239 13.308 1.00 0.00 C ATOM 2133 CD2 PHE A 141 2.469 5.090 11.194 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.490 4.525 13.012 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.779 5.399 10.916 1.00 0.00 C ATOM 2136 CZ PHE A 141 4.793 5.053 11.779 1.00 0.00 C ATOM 0 H PHE A 141 -1.574 3.638 13.030 1.00 0.00 H new ATOM 0 HA PHE A 141 0.373 5.053 14.524 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.836 3.066 13.199 1.00 0.00 H new ATOM 0 HB3 PHE A 141 0.276 3.858 11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.921 3.855 14.284 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.680 5.352 10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.269 4.338 13.736 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.017 5.924 10.002 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.824 5.196 11.489 1.00 0.00 H new ATOM 2146 N VAL A 142 -0.939 6.522 11.931 1.00 0.00 N ATOM 2147 CA VAL A 142 -1.194 7.740 11.225 1.00 0.00 C ATOM 2148 C VAL A 142 -1.573 8.878 12.109 1.00 0.00 C ATOM 2149 O VAL A 142 -0.941 9.932 12.057 1.00 0.00 O ATOM 2150 CB VAL A 142 -2.116 7.480 10.072 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -2.716 8.769 9.485 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -1.246 6.802 9.000 1.00 0.00 C ATOM 0 H VAL A 142 -1.478 5.743 11.554 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.257 8.094 10.795 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.958 6.872 10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.375 8.518 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.286 9.289 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.913 9.415 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.855 6.581 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.431 7.469 8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.834 5.875 9.399 1.00 0.00 H new ATOM 2162 N GLN A 143 -2.695 8.729 12.835 1.00 0.00 N ATOM 2163 CA GLN A 143 -3.158 9.686 13.792 1.00 0.00 C ATOM 2164 C GLN A 143 -2.126 9.868 14.851 1.00 0.00 C ATOM 2165 O GLN A 143 -2.078 10.984 15.367 1.00 0.00 O ATOM 2166 CB GLN A 143 -4.518 9.115 14.227 1.00 0.00 C ATOM 2167 CG GLN A 143 -5.217 9.855 15.370 1.00 0.00 C ATOM 2168 CD GLN A 143 -6.537 9.210 15.765 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -6.723 9.011 16.965 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -7.446 8.897 14.804 1.00 0.00 N ATOM 0 H GLN A 143 -3.302 7.913 12.753 1.00 0.00 H new ATOM 0 HA GLN A 143 -3.304 10.704 13.432 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.182 9.111 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.376 8.076 14.525 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -4.557 9.883 16.237 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.397 10.888 15.073 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.237 9.085 13.824 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.337 8.474 15.063 1.00 0.00 H new ATOM 2179 N MET A 144 -1.215 8.954 15.231 1.00 0.00 N ATOM 2180 CA MET A 144 -0.149 9.254 16.135 1.00 0.00 C ATOM 2181 C MET A 144 0.886 10.183 15.601 1.00 0.00 C ATOM 2182 O MET A 144 1.388 11.078 16.280 1.00 0.00 O ATOM 2183 CB MET A 144 0.451 7.929 16.635 1.00 0.00 C ATOM 2184 CG MET A 144 1.436 8.011 17.803 1.00 0.00 C ATOM 2185 SD MET A 144 3.089 8.505 17.231 1.00 0.00 S ATOM 2186 CE MET A 144 3.568 7.003 16.330 1.00 0.00 C ATOM 0 H MET A 144 -1.219 7.988 14.904 1.00 0.00 H new ATOM 0 HA MET A 144 -0.573 9.814 16.968 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.370 7.275 16.929 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.957 7.449 15.798 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.073 8.728 18.539 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.494 7.044 18.302 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.527 6.645 16.704 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.811 6.233 16.477 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.654 7.228 15.267 1.00 0.00 H new ATOM 2196 N MET A 145 1.302 10.030 14.331 1.00 0.00 N ATOM 2197 CA MET A 145 2.240 10.815 13.591 1.00 0.00 C ATOM 2198 C MET A 145 1.755 12.202 13.342 1.00 0.00 C ATOM 2199 O MET A 145 2.558 13.131 13.405 1.00 0.00 O ATOM 2200 CB MET A 145 2.772 10.074 12.353 1.00 0.00 C ATOM 2201 CG MET A 145 3.642 8.906 12.819 1.00 0.00 C ATOM 2202 SD MET A 145 4.850 8.471 11.532 1.00 0.00 S ATOM 2203 CE MET A 145 6.128 8.226 12.799 1.00 0.00 C ATOM 0 H MET A 145 0.936 9.267 13.761 1.00 0.00 H new ATOM 0 HA MET A 145 3.119 10.954 14.220 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.944 9.710 11.745 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.352 10.752 11.727 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.161 9.174 13.739 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.015 8.044 13.046 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.036 7.847 12.331 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.342 9.176 13.289 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.774 7.508 13.539 1.00 0.00 H new