USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot -130:sc= 1.11 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 0.938 USER MOD Set 2.1: A 67 TYR OH : rot 0:sc= 0.597 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -122:sc= 0.63 (180deg=-0.0994) USER MOD Set 3.1: A 54 SER OG : rot -100:sc= 0.0027 USER MOD Set 3.2: A 65 SER OG : rot -149:sc= -0.449 USER MOD Set 4.1: A 53 TYR OH : rot -45:sc= 0.498 USER MOD Set 4.2: A 60 SER OG : rot 180:sc= 0.0107 USER MOD Set 4.3: A 61 HIS : no HD1:sc= -0.987 K(o=-0.48,f=-1.6) USER MOD Set 5.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 170:sc= 0.791 (180deg=0.722) USER MOD Single : A 8 GLN : amide:sc= -0.193 K(o=-0.19,f=-2) USER MOD Single : A 9 ASN : amide:sc= 1.45 K(o=1.5,f=-1.4) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00441 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -77:sc= 0.759 USER MOD Single : A 34 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc=-0.00466 X(o=-0.0047,f=-0.0047) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 130:sc= -0.292 USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.11) USER MOD Single : A 71 SER OG : rot -33:sc= 0.104 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -140:sc= 0 USER MOD Single : A 93 THR OG1 : rot -14:sc= 0.686 USER MOD Single : A 94 CYS SG : rot -36:sc= -0.339 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 115 LYS NZ :NH3+ -158:sc= 0.852 (180deg=0.227) USER MOD Single : A 116 SER OG : rot 112:sc= 0.421 USER MOD Single : A 117 ASN : amide:sc= 0.213 K(o=0.21,f=-4.2!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0088) USER MOD Single : A 126 MET CE :methyl 164:sc= -0.0299 (180deg=-0.415) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD Single : B 162 TYR OH : rot -1:sc= 0.674 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -3.684 -3.481 19.573 1.00 0.00 N ATOM 79 CA ASP A 6 -3.260 -2.185 19.071 1.00 0.00 C ATOM 80 C ASP A 6 -2.351 -2.360 17.848 1.00 0.00 C ATOM 81 O ASP A 6 -2.452 -3.351 17.125 1.00 0.00 O ATOM 82 CB ASP A 6 -2.555 -1.441 20.207 1.00 0.00 C ATOM 83 CG ASP A 6 -3.486 -1.260 21.404 1.00 0.00 C ATOM 84 OD1 ASP A 6 -4.258 -0.274 21.392 1.00 0.00 O ATOM 85 OD2 ASP A 6 -3.417 -2.109 22.321 1.00 0.00 O ATOM 0 HA ASP A 6 -4.119 -1.599 18.743 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.667 -1.994 20.513 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.217 -0.467 19.854 1.00 0.00 H new ATOM 90 N PHE A 7 -1.458 -1.391 17.618 1.00 0.00 N ATOM 91 CA PHE A 7 -0.524 -1.395 16.501 1.00 0.00 C ATOM 92 C PHE A 7 0.308 -2.682 16.454 1.00 0.00 C ATOM 93 O PHE A 7 0.935 -2.974 15.438 1.00 0.00 O ATOM 94 CB PHE A 7 0.385 -0.172 16.651 1.00 0.00 C ATOM 95 CG PHE A 7 1.303 0.120 15.482 1.00 0.00 C ATOM 96 CD1 PHE A 7 0.821 0.071 14.164 1.00 0.00 C ATOM 97 CD2 PHE A 7 2.645 0.450 15.720 1.00 0.00 C ATOM 98 CE1 PHE A 7 1.681 0.348 13.090 1.00 0.00 C ATOM 99 CE2 PHE A 7 3.503 0.733 14.645 1.00 0.00 C ATOM 100 CZ PHE A 7 3.020 0.680 13.330 1.00 0.00 C ATOM 0 H PHE A 7 -1.367 -0.570 18.217 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.080 -1.352 15.564 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.242 0.703 16.823 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.997 -0.306 17.543 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.213 -0.180 13.977 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.019 0.487 16.732 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.309 0.305 12.077 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.535 0.991 14.831 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.680 0.895 12.503 1.00 0.00 H new ATOM 110 N GLN A 8 0.314 -3.452 17.549 1.00 0.00 N ATOM 111 CA GLN A 8 1.017 -4.721 17.625 1.00 0.00 C ATOM 112 C GLN A 8 0.573 -5.662 16.513 1.00 0.00 C ATOM 113 O GLN A 8 1.414 -6.327 15.919 1.00 0.00 O ATOM 114 CB GLN A 8 0.731 -5.340 18.999 1.00 0.00 C ATOM 115 CG GLN A 8 1.290 -6.760 19.137 1.00 0.00 C ATOM 116 CD GLN A 8 2.815 -6.818 19.078 1.00 0.00 C ATOM 117 OE1 GLN A 8 3.495 -5.795 19.039 1.00 0.00 O ATOM 118 NE2 GLN A 8 3.369 -8.027 19.071 1.00 0.00 N ATOM 0 H GLN A 8 -0.175 -3.203 18.409 1.00 0.00 H new ATOM 0 HA GLN A 8 2.087 -4.556 17.499 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.163 -4.707 19.775 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.346 -5.360 19.167 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.954 -7.185 20.083 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.879 -7.384 18.343 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.779 -8.858 19.104 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.384 -8.123 19.033 1.00 0.00 H new ATOM 127 N ASN A 9 -0.726 -5.731 16.214 1.00 0.00 N ATOM 128 CA ASN A 9 -1.199 -6.621 15.164 1.00 0.00 C ATOM 129 C ASN A 9 -0.666 -6.177 13.807 1.00 0.00 C ATOM 130 O ASN A 9 -0.312 -7.017 12.981 1.00 0.00 O ATOM 131 CB ASN A 9 -2.730 -6.669 15.178 1.00 0.00 C ATOM 132 CG ASN A 9 -3.248 -7.357 16.437 1.00 0.00 C ATOM 133 OD1 ASN A 9 -2.486 -7.951 17.197 1.00 0.00 O ATOM 134 ND2 ASN A 9 -4.553 -7.282 16.673 1.00 0.00 N ATOM 0 H ASN A 9 -1.455 -5.189 16.678 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.824 -7.628 15.349 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.129 -5.656 15.123 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.088 -7.200 14.296 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.947 -7.724 17.503 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.161 -6.782 16.024 1.00 0.00 H new ATOM 141 N PHE A 10 -0.605 -4.864 13.564 1.00 0.00 N ATOM 142 CA PHE A 10 -0.106 -4.350 12.302 1.00 0.00 C ATOM 143 C PHE A 10 1.368 -4.706 12.133 1.00 0.00 C ATOM 144 O PHE A 10 1.758 -5.315 11.136 1.00 0.00 O ATOM 145 CB PHE A 10 -0.311 -2.835 12.261 1.00 0.00 C ATOM 146 CG PHE A 10 0.017 -2.216 10.923 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.350 -2.003 10.544 1.00 0.00 C ATOM 148 CD2 PHE A 10 -1.023 -1.856 10.057 1.00 0.00 C ATOM 149 CE1 PHE A 10 1.645 -1.440 9.293 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.730 -1.295 8.810 1.00 0.00 C ATOM 151 CZ PHE A 10 0.602 -1.087 8.427 1.00 0.00 C ATOM 0 H PHE A 10 -0.896 -4.146 14.228 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.656 -4.804 11.478 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.348 -2.610 12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.310 -2.372 13.028 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.151 -2.273 11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.050 -2.011 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.672 -1.280 8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.532 -1.021 8.141 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.825 -0.654 7.463 1.00 0.00 H new ATOM 161 N VAL A 11 2.187 -4.322 13.116 1.00 0.00 N ATOM 162 CA VAL A 11 3.620 -4.573 13.075 1.00 0.00 C ATOM 163 C VAL A 11 3.864 -6.073 12.974 1.00 0.00 C ATOM 164 O VAL A 11 4.553 -6.528 12.067 1.00 0.00 O ATOM 165 CB VAL A 11 4.295 -3.990 14.320 1.00 0.00 C ATOM 166 CG1 VAL A 11 5.793 -4.277 14.305 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.102 -2.478 14.380 1.00 0.00 C ATOM 0 H VAL A 11 1.873 -3.833 13.954 1.00 0.00 H new ATOM 0 HA VAL A 11 4.053 -4.086 12.201 1.00 0.00 H new ATOM 0 HB VAL A 11 3.835 -4.459 15.190 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.253 -3.854 15.198 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.957 -5.354 14.288 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.241 -3.828 13.419 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.589 -2.084 15.272 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.542 -2.020 13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.037 -2.248 14.417 1.00 0.00 H new ATOM 177 N ALA A 12 3.298 -6.842 13.907 1.00 0.00 N ATOM 178 CA ALA A 12 3.494 -8.278 13.971 1.00 0.00 C ATOM 179 C ALA A 12 3.051 -8.976 12.686 1.00 0.00 C ATOM 180 O ALA A 12 3.636 -9.991 12.313 1.00 0.00 O ATOM 181 CB ALA A 12 2.723 -8.808 15.179 1.00 0.00 C ATOM 0 H ALA A 12 2.689 -6.477 14.639 1.00 0.00 H new ATOM 0 HA ALA A 12 4.558 -8.491 14.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.854 -9.888 15.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.100 -8.337 16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.664 -8.578 15.064 1.00 0.00 H new ATOM 187 N THR A 13 2.026 -8.454 11.996 1.00 0.00 N ATOM 188 CA THR A 13 1.602 -9.047 10.737 1.00 0.00 C ATOM 189 C THR A 13 2.613 -8.755 9.637 1.00 0.00 C ATOM 190 O THR A 13 2.955 -9.654 8.871 1.00 0.00 O ATOM 191 CB THR A 13 0.216 -8.544 10.338 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.727 -8.968 11.290 1.00 0.00 O ATOM 193 CG2 THR A 13 -0.190 -9.115 8.983 1.00 0.00 C ATOM 0 H THR A 13 1.489 -7.637 12.288 1.00 0.00 H new ATOM 0 HA THR A 13 1.546 -10.127 10.875 1.00 0.00 H new ATOM 0 HB THR A 13 0.248 -7.456 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.622 -8.443 12.111 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.180 -8.746 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.531 -8.804 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.211 -10.203 9.038 1.00 0.00 H new ATOM 201 N LEU A 14 3.102 -7.513 9.537 1.00 0.00 N ATOM 202 CA LEU A 14 4.059 -7.182 8.492 1.00 0.00 C ATOM 203 C LEU A 14 5.386 -7.909 8.751 1.00 0.00 C ATOM 204 O LEU A 14 6.095 -8.302 7.823 1.00 0.00 O ATOM 205 CB LEU A 14 4.263 -5.663 8.453 1.00 0.00 C ATOM 206 CG LEU A 14 4.898 -5.183 7.142 1.00 0.00 C ATOM 207 CD1 LEU A 14 3.991 -5.432 5.936 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.123 -3.679 7.255 1.00 0.00 C ATOM 0 H LEU A 14 2.854 -6.741 10.155 1.00 0.00 H new ATOM 0 HA LEU A 14 3.677 -7.507 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.301 -5.168 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.896 -5.364 9.289 1.00 0.00 H new ATOM 0 HG LEU A 14 5.826 -5.734 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.483 -5.076 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.792 -6.500 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.050 -4.898 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.575 -3.309 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.168 -3.179 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.787 -3.473 8.094 1.00 0.00 H new ATOM 220 N GLU A 15 5.719 -8.088 10.034 1.00 0.00 N ATOM 221 CA GLU A 15 6.905 -8.813 10.471 1.00 0.00 C ATOM 222 C GLU A 15 6.775 -10.274 10.069 1.00 0.00 C ATOM 223 O GLU A 15 7.720 -10.864 9.548 1.00 0.00 O ATOM 224 CB GLU A 15 7.016 -8.726 11.993 1.00 0.00 C ATOM 225 CG GLU A 15 7.371 -7.320 12.472 1.00 0.00 C ATOM 226 CD GLU A 15 8.881 -7.094 12.483 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.522 -7.531 13.463 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.384 -6.488 11.510 1.00 0.00 O ATOM 0 H GLU A 15 5.160 -7.725 10.806 1.00 0.00 H new ATOM 0 HA GLU A 15 7.791 -8.378 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.071 -9.032 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.775 -9.427 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.897 -6.584 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.972 -7.165 13.474 1.00 0.00 H new ATOM 235 N SER A 16 5.598 -10.855 10.312 1.00 0.00 N ATOM 236 CA SER A 16 5.313 -12.223 9.898 1.00 0.00 C ATOM 237 C SER A 16 5.401 -12.327 8.379 1.00 0.00 C ATOM 238 O SER A 16 5.783 -13.369 7.850 1.00 0.00 O ATOM 239 CB SER A 16 3.925 -12.619 10.395 1.00 0.00 C ATOM 240 OG SER A 16 3.641 -13.953 10.033 1.00 0.00 O ATOM 0 H SER A 16 4.827 -10.394 10.795 1.00 0.00 H new ATOM 0 HA SER A 16 6.045 -12.905 10.329 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.873 -12.509 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.175 -11.952 9.971 1.00 0.00 H new ATOM 0 HG SER A 16 2.749 -14.197 10.358 1.00 0.00 H new ATOM 246 N PHE A 17 5.051 -11.247 7.671 1.00 0.00 N ATOM 247 CA PHE A 17 5.159 -11.200 6.222 1.00 0.00 C ATOM 248 C PHE A 17 6.619 -11.374 5.808 1.00 0.00 C ATOM 249 O PHE A 17 6.926 -12.198 4.949 1.00 0.00 O ATOM 250 CB PHE A 17 4.601 -9.863 5.721 1.00 0.00 C ATOM 251 CG PHE A 17 3.948 -9.920 4.356 1.00 0.00 C ATOM 252 CD1 PHE A 17 4.619 -10.486 3.263 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.658 -9.400 4.187 1.00 0.00 C ATOM 254 CE1 PHE A 17 3.999 -10.540 2.007 1.00 0.00 C ATOM 255 CE2 PHE A 17 2.033 -9.457 2.931 1.00 0.00 C ATOM 256 CZ PHE A 17 2.706 -10.027 1.841 1.00 0.00 C ATOM 0 H PHE A 17 4.688 -10.391 8.090 1.00 0.00 H new ATOM 0 HA PHE A 17 4.581 -12.010 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.871 -9.497 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.412 -9.135 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.616 -10.881 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.143 -8.954 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.518 -10.977 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.036 -9.062 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.228 -10.071 0.874 1.00 0.00 H new ATOM 266 N LYS A 18 7.520 -10.596 6.421 1.00 0.00 N ATOM 267 CA LYS A 18 8.946 -10.673 6.116 1.00 0.00 C ATOM 268 C LYS A 18 9.565 -11.995 6.565 1.00 0.00 C ATOM 269 O LYS A 18 10.440 -12.520 5.880 1.00 0.00 O ATOM 270 CB LYS A 18 9.680 -9.520 6.805 1.00 0.00 C ATOM 271 CG LYS A 18 9.258 -8.167 6.232 1.00 0.00 C ATOM 272 CD LYS A 18 10.042 -7.029 6.888 1.00 0.00 C ATOM 273 CE LYS A 18 9.694 -6.951 8.373 1.00 0.00 C ATOM 274 NZ LYS A 18 10.405 -5.841 9.037 1.00 0.00 N ATOM 0 H LYS A 18 7.281 -9.905 7.133 1.00 0.00 H new ATOM 0 HA LYS A 18 9.050 -10.605 5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.474 -9.544 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.756 -9.648 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.425 -8.156 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.190 -8.017 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.112 -7.194 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.806 -6.084 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.619 -6.817 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.952 -7.892 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.108 -5.784 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.430 -6.009 8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.178 -4.947 8.557 1.00 0.00 H new ATOM 359 N ILE A 24 1.404 -13.230 -1.645 1.00 0.00 N ATOM 360 CA ILE A 24 0.591 -12.040 -1.446 1.00 0.00 C ATOM 361 C ILE A 24 -0.757 -12.404 -0.815 1.00 0.00 C ATOM 362 O ILE A 24 -1.783 -11.806 -1.137 1.00 0.00 O ATOM 363 CB ILE A 24 0.435 -11.247 -2.757 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.680 -11.291 -3.653 1.00 0.00 C ATOM 365 CG2 ILE A 24 0.093 -9.789 -2.424 1.00 0.00 C ATOM 366 CD1 ILE A 24 2.924 -10.684 -2.999 1.00 0.00 C ATOM 0 HA ILE A 24 1.105 -11.382 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.368 -11.721 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.889 -12.327 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.470 -10.758 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.019 -9.221 -3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.840 -9.754 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.894 -9.355 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.766 -10.749 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.734 -9.639 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.159 -11.232 -2.086 1.00 0.00 H new ATOM 378 N SER A 25 -0.766 -13.390 0.091 1.00 0.00 N ATOM 379 CA SER A 25 -1.997 -13.818 0.746 1.00 0.00 C ATOM 380 C SER A 25 -2.682 -12.629 1.410 1.00 0.00 C ATOM 381 O SER A 25 -2.061 -11.887 2.170 1.00 0.00 O ATOM 382 CB SER A 25 -1.694 -14.900 1.782 1.00 0.00 C ATOM 383 OG SER A 25 -1.215 -16.066 1.149 1.00 0.00 O ATOM 0 H SER A 25 0.066 -13.902 0.383 1.00 0.00 H new ATOM 0 HA SER A 25 -2.668 -14.232 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.953 -14.534 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.595 -15.131 2.350 1.00 0.00 H new ATOM 0 HG SER A 25 -1.023 -16.750 1.824 1.00 0.00 H new ATOM 389 N GLY A 26 -3.973 -12.457 1.110 1.00 0.00 N ATOM 390 CA GLY A 26 -4.739 -11.307 1.560 1.00 0.00 C ATOM 391 C GLY A 26 -4.929 -11.249 3.070 1.00 0.00 C ATOM 392 O GLY A 26 -5.304 -10.200 3.586 1.00 0.00 O ATOM 0 H GLY A 26 -4.511 -13.116 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.238 -10.397 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.718 -11.323 1.080 1.00 0.00 H new ATOM 396 N SER A 27 -4.683 -12.342 3.800 1.00 0.00 N ATOM 397 CA SER A 27 -4.895 -12.347 5.243 1.00 0.00 C ATOM 398 C SER A 27 -3.983 -11.333 5.929 1.00 0.00 C ATOM 399 O SER A 27 -4.404 -10.646 6.861 1.00 0.00 O ATOM 400 CB SER A 27 -4.655 -13.751 5.791 1.00 0.00 C ATOM 401 OG SER A 27 -3.377 -14.216 5.416 1.00 0.00 O ATOM 0 H SER A 27 -4.341 -13.223 3.417 1.00 0.00 H new ATOM 0 HA SER A 27 -5.925 -12.058 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.741 -13.743 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.420 -14.430 5.415 1.00 0.00 H new ATOM 0 HG SER A 27 -3.238 -15.117 5.776 1.00 0.00 H new ATOM 407 N ARG A 28 -2.733 -11.233 5.473 1.00 0.00 N ATOM 408 CA ARG A 28 -1.788 -10.288 6.039 1.00 0.00 C ATOM 409 C ARG A 28 -2.240 -8.876 5.692 1.00 0.00 C ATOM 410 O ARG A 28 -2.199 -7.988 6.539 1.00 0.00 O ATOM 411 CB ARG A 28 -0.375 -10.557 5.506 1.00 0.00 C ATOM 412 CG ARG A 28 0.293 -11.801 6.107 1.00 0.00 C ATOM 413 CD ARG A 28 -0.498 -13.080 5.827 1.00 0.00 C ATOM 414 NE ARG A 28 0.254 -14.276 6.227 1.00 0.00 N ATOM 415 CZ ARG A 28 0.023 -15.493 5.726 1.00 0.00 C ATOM 416 NH1 ARG A 28 -0.939 -15.686 4.827 1.00 0.00 N ATOM 417 NH2 ARG A 28 0.755 -16.532 6.123 1.00 0.00 N ATOM 0 H ARG A 28 -2.358 -11.799 4.712 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.758 -10.401 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.422 -10.670 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.250 -9.688 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.299 -11.903 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.397 -11.670 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.446 -13.048 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.736 -13.137 4.765 1.00 0.00 H new ATOM 0 HE ARG A 28 0.992 -14.172 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.509 -14.900 4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.106 -16.619 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.495 -16.401 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.575 -17.459 5.738 1.00 0.00 H new ATOM 431 N ILE A 29 -2.675 -8.666 4.446 1.00 0.00 N ATOM 432 CA ILE A 29 -3.147 -7.363 4.007 1.00 0.00 C ATOM 433 C ILE A 29 -4.397 -6.978 4.798 1.00 0.00 C ATOM 434 O ILE A 29 -4.593 -5.808 5.122 1.00 0.00 O ATOM 435 CB ILE A 29 -3.432 -7.395 2.499 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.183 -7.860 1.738 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.851 -6.000 2.031 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.430 -7.939 0.229 1.00 0.00 C ATOM 0 H ILE A 29 -2.707 -9.388 3.727 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.380 -6.611 4.191 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.241 -8.097 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.361 -7.173 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.876 -8.839 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.054 -6.021 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.750 -5.692 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.048 -5.292 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.521 -8.272 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.235 -8.647 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.711 -6.955 -0.146 1.00 0.00 H new ATOM 450 N LYS A 30 -5.243 -7.961 5.114 1.00 0.00 N ATOM 451 CA LYS A 30 -6.458 -7.727 5.879 1.00 0.00 C ATOM 452 C LYS A 30 -6.128 -7.296 7.304 1.00 0.00 C ATOM 453 O LYS A 30 -6.776 -6.385 7.810 1.00 0.00 O ATOM 454 CB LYS A 30 -7.345 -8.976 5.845 1.00 0.00 C ATOM 455 CG LYS A 30 -8.076 -9.059 4.501 1.00 0.00 C ATOM 456 CD LYS A 30 -9.208 -8.034 4.425 1.00 0.00 C ATOM 457 CE LYS A 30 -9.696 -7.952 2.982 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.845 -7.033 2.852 1.00 0.00 N ATOM 0 H LYS A 30 -5.101 -8.935 4.846 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.016 -6.909 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.737 -9.869 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.067 -8.942 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.370 -8.887 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.480 -10.062 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.026 -8.324 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.858 -7.058 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.883 -7.613 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.982 -8.945 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.152 -7.000 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.629 -7.371 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.564 -6.080 3.159 1.00 0.00 H new ATOM 472 N LYS A 31 -5.142 -7.919 7.964 1.00 0.00 N ATOM 473 CA LYS A 31 -4.739 -7.466 9.299 1.00 0.00 C ATOM 474 C LYS A 31 -4.140 -6.063 9.244 1.00 0.00 C ATOM 475 O LYS A 31 -4.426 -5.235 10.106 1.00 0.00 O ATOM 476 CB LYS A 31 -3.735 -8.436 9.928 1.00 0.00 C ATOM 477 CG LYS A 31 -4.327 -9.096 11.172 1.00 0.00 C ATOM 478 CD LYS A 31 -5.462 -10.062 10.831 1.00 0.00 C ATOM 479 CE LYS A 31 -4.937 -11.240 10.007 1.00 0.00 C ATOM 480 NZ LYS A 31 -6.015 -12.207 9.716 1.00 0.00 N ATOM 0 H LYS A 31 -4.621 -8.719 7.605 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.635 -7.439 9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.457 -9.200 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.823 -7.901 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.542 -9.634 11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.699 -8.326 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.922 -10.429 11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.238 -9.538 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.511 -10.873 9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.134 -11.738 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.632 -12.996 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.404 -12.573 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.769 -11.735 9.178 1.00 0.00 H new ATOM 494 N LEU A 32 -3.309 -5.792 8.235 1.00 0.00 N ATOM 495 CA LEU A 32 -2.677 -4.491 8.097 1.00 0.00 C ATOM 496 C LEU A 32 -3.725 -3.391 7.911 1.00 0.00 C ATOM 497 O LEU A 32 -3.767 -2.440 8.693 1.00 0.00 O ATOM 498 CB LEU A 32 -1.676 -4.534 6.938 1.00 0.00 C ATOM 499 CG LEU A 32 -0.467 -5.431 7.244 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.381 -5.582 5.983 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.395 -4.838 8.353 1.00 0.00 C ATOM 0 H LEU A 32 -3.062 -6.460 7.505 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.133 -4.252 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.178 -4.898 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.330 -3.523 6.722 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.837 -6.401 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.240 -6.218 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.219 -6.035 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.728 -4.601 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.242 -5.496 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.759 -3.858 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.200 -4.736 9.261 1.00 0.00 H new ATOM 513 N THR A 33 -4.574 -3.506 6.884 1.00 0.00 N ATOM 514 CA THR A 33 -5.642 -2.537 6.667 1.00 0.00 C ATOM 515 C THR A 33 -6.534 -2.400 7.894 1.00 0.00 C ATOM 516 O THR A 33 -6.882 -1.285 8.277 1.00 0.00 O ATOM 517 CB THR A 33 -6.503 -2.970 5.483 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.976 -4.287 5.665 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.691 -2.932 4.199 1.00 0.00 C ATOM 0 H THR A 33 -4.539 -4.258 6.196 1.00 0.00 H new ATOM 0 HA THR A 33 -5.174 -1.574 6.466 1.00 0.00 H new ATOM 0 HB THR A 33 -7.345 -2.281 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.255 -4.923 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.317 -3.243 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.332 -1.918 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.840 -3.608 4.286 1.00 0.00 H new ATOM 527 N THR A 34 -6.905 -3.523 8.511 1.00 0.00 N ATOM 528 CA THR A 34 -7.774 -3.521 9.671 1.00 0.00 C ATOM 529 C THR A 34 -7.205 -2.639 10.770 1.00 0.00 C ATOM 530 O THR A 34 -7.861 -1.691 11.192 1.00 0.00 O ATOM 531 CB THR A 34 -7.956 -4.961 10.159 1.00 0.00 C ATOM 532 OG1 THR A 34 -8.841 -5.642 9.296 1.00 0.00 O ATOM 533 CG2 THR A 34 -8.534 -5.008 11.564 1.00 0.00 C ATOM 0 H THR A 34 -6.608 -4.453 8.216 1.00 0.00 H new ATOM 0 HA THR A 34 -8.746 -3.110 9.397 1.00 0.00 H new ATOM 0 HB THR A 34 -6.974 -5.433 10.165 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.327 -6.191 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.649 -6.046 11.876 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.861 -4.495 12.251 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.507 -4.517 11.574 1.00 0.00 H new ATOM 541 N TYR A 35 -5.993 -2.933 11.243 1.00 0.00 N ATOM 542 CA TYR A 35 -5.467 -2.231 12.402 1.00 0.00 C ATOM 543 C TYR A 35 -4.929 -0.840 12.072 1.00 0.00 C ATOM 544 O TYR A 35 -4.712 -0.044 12.984 1.00 0.00 O ATOM 545 CB TYR A 35 -4.513 -3.141 13.165 1.00 0.00 C ATOM 546 CG TYR A 35 -5.286 -4.284 13.787 1.00 0.00 C ATOM 547 CD1 TYR A 35 -6.115 -4.024 14.888 1.00 0.00 C ATOM 548 CD2 TYR A 35 -5.197 -5.583 13.268 1.00 0.00 C ATOM 549 CE1 TYR A 35 -6.891 -5.050 15.449 1.00 0.00 C ATOM 550 CE2 TYR A 35 -5.968 -6.616 13.824 1.00 0.00 C ATOM 551 CZ TYR A 35 -6.824 -6.350 14.913 1.00 0.00 C ATOM 552 OH TYR A 35 -7.583 -7.346 15.449 1.00 0.00 O ATOM 0 H TYR A 35 -5.372 -3.639 10.847 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.287 -2.005 13.084 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.749 -3.530 12.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.996 -2.575 13.940 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.156 -3.029 15.306 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.535 -5.789 12.440 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.537 -4.843 16.289 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.906 -7.615 13.418 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.419 -8.180 14.962 1.00 0.00 H new ATOM 562 N ALA A 36 -4.711 -0.525 10.791 1.00 0.00 N ATOM 563 CA ALA A 36 -4.477 0.856 10.407 1.00 0.00 C ATOM 564 C ALA A 36 -5.778 1.644 10.552 1.00 0.00 C ATOM 565 O ALA A 36 -5.838 2.628 11.288 1.00 0.00 O ATOM 566 CB ALA A 36 -3.956 0.905 8.970 1.00 0.00 C ATOM 0 H ALA A 36 -4.693 -1.196 10.023 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.726 1.307 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.780 1.941 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.023 0.346 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.693 0.462 8.300 1.00 0.00 H new ATOM 572 N LEU A 37 -6.817 1.203 9.838 1.00 0.00 N ATOM 573 CA LEU A 37 -8.112 1.869 9.791 1.00 0.00 C ATOM 574 C LEU A 37 -8.826 1.847 11.146 1.00 0.00 C ATOM 575 O LEU A 37 -9.714 2.662 11.385 1.00 0.00 O ATOM 576 CB LEU A 37 -8.955 1.195 8.703 1.00 0.00 C ATOM 577 CG LEU A 37 -8.281 1.290 7.326 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.968 0.356 6.333 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.332 2.715 6.774 1.00 0.00 C ATOM 0 H LEU A 37 -6.776 0.358 9.268 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.965 2.922 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.112 0.148 8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.938 1.664 8.661 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.239 0.998 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.479 0.434 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.899 -0.671 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.017 0.637 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.846 2.745 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.371 3.029 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.815 3.389 7.458 1.00 0.00 H new ATOM 591 N ASP A 38 -8.446 0.924 12.031 1.00 0.00 N ATOM 592 CA ASP A 38 -9.054 0.799 13.349 1.00 0.00 C ATOM 593 C ASP A 38 -8.652 1.924 14.306 1.00 0.00 C ATOM 594 O ASP A 38 -9.298 2.090 15.340 1.00 0.00 O ATOM 595 CB ASP A 38 -8.685 -0.562 13.941 1.00 0.00 C ATOM 596 CG ASP A 38 -9.440 -0.846 15.240 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.687 -0.732 15.224 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.767 -1.175 16.241 1.00 0.00 O ATOM 0 H ASP A 38 -7.708 0.244 11.851 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.134 0.880 13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.905 -1.345 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.612 -0.596 14.131 1.00 0.00 H new ATOM 603 N HIS A 39 -7.606 2.699 13.994 1.00 0.00 N ATOM 604 CA HIS A 39 -7.141 3.738 14.911 1.00 0.00 C ATOM 605 C HIS A 39 -6.879 5.068 14.218 1.00 0.00 C ATOM 606 O HIS A 39 -7.305 6.103 14.724 1.00 0.00 O ATOM 607 CB HIS A 39 -5.871 3.265 15.623 1.00 0.00 C ATOM 608 CG HIS A 39 -6.079 2.052 16.496 1.00 0.00 C ATOM 609 ND1 HIS A 39 -6.727 2.042 17.732 1.00 0.00 N ATOM 610 CD2 HIS A 39 -5.660 0.787 16.201 1.00 0.00 C ATOM 611 CE1 HIS A 39 -6.683 0.766 18.149 1.00 0.00 C ATOM 612 NE2 HIS A 39 -6.050 -0.008 17.251 1.00 0.00 N ATOM 0 H HIS A 39 -7.075 2.626 13.126 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.940 3.909 15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.110 3.038 14.876 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.484 4.080 16.235 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.127 0.473 15.316 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.100 0.410 19.080 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.887 -1.011 17.335 1.00 0.00 H new ATOM 620 N ILE A 40 -6.189 5.041 13.076 1.00 0.00 N ATOM 621 CA ILE A 40 -5.767 6.241 12.368 1.00 0.00 C ATOM 622 C ILE A 40 -5.281 7.324 13.337 1.00 0.00 C ATOM 623 O ILE A 40 -5.880 8.388 13.488 1.00 0.00 O ATOM 624 CB ILE A 40 -6.842 6.723 11.391 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.276 5.590 10.455 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.258 7.871 10.561 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.128 5.077 9.583 1.00 0.00 C ATOM 0 H ILE A 40 -5.907 4.175 12.616 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.903 5.988 11.753 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.715 7.056 11.952 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.674 4.766 11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.085 5.942 9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.009 8.230 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.963 8.685 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.386 7.516 10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.490 4.275 8.939 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.746 5.892 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.329 4.698 10.220 1.00 0.00 H new ATOM 639 N ASP A 41 -4.164 7.021 13.998 1.00 0.00 N ATOM 640 CA ASP A 41 -3.500 7.901 14.949 1.00 0.00 C ATOM 641 C ASP A 41 -1.998 7.602 14.927 1.00 0.00 C ATOM 642 O ASP A 41 -1.267 7.898 15.871 1.00 0.00 O ATOM 643 CB ASP A 41 -4.092 7.680 16.345 1.00 0.00 C ATOM 644 CG ASP A 41 -3.561 8.693 17.361 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.582 9.903 17.038 1.00 0.00 O ATOM 646 OD2 ASP A 41 -3.139 8.249 18.453 1.00 0.00 O ATOM 0 H ASP A 41 -3.685 6.128 13.880 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.653 8.946 14.679 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.178 7.754 16.294 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.857 6.671 16.683 1.00 0.00 H new ATOM 651 N ILE A 42 -1.550 7.004 13.819 1.00 0.00 N ATOM 652 CA ILE A 42 -0.214 6.450 13.649 1.00 0.00 C ATOM 653 C ILE A 42 0.194 6.574 12.185 1.00 0.00 C ATOM 654 O ILE A 42 0.870 5.710 11.636 1.00 0.00 O ATOM 655 CB ILE A 42 -0.156 4.990 14.142 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.526 4.311 14.075 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.411 4.926 15.559 1.00 0.00 C ATOM 658 CD1 ILE A 42 -1.392 2.805 14.300 1.00 0.00 C ATOM 0 H ILE A 42 -2.133 6.891 12.989 1.00 0.00 H new ATOM 0 HA ILE A 42 0.496 7.012 14.256 1.00 0.00 H new ATOM 0 HB ILE A 42 0.509 4.444 13.474 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.187 4.739 14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.984 4.500 13.104 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.445 3.888 15.891 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.418 5.342 15.567 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.225 5.502 16.232 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.377 2.340 14.249 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.749 2.378 13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.955 2.621 15.281 1.00 0.00 H new ATOM 670 N GLU A 43 -0.226 7.664 11.544 1.00 0.00 N ATOM 671 CA GLU A 43 -0.018 7.891 10.126 1.00 0.00 C ATOM 672 C GLU A 43 1.438 7.716 9.682 1.00 0.00 C ATOM 673 O GLU A 43 1.708 6.964 8.747 1.00 0.00 O ATOM 674 CB GLU A 43 -0.543 9.287 9.767 1.00 0.00 C ATOM 675 CG GLU A 43 0.186 10.456 10.445 1.00 0.00 C ATOM 676 CD GLU A 43 0.122 10.395 11.970 1.00 0.00 C ATOM 677 OE1 GLU A 43 -0.963 10.703 12.508 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.154 10.042 12.586 1.00 0.00 O ATOM 0 H GLU A 43 -0.727 8.422 12.008 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.574 7.126 9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.476 9.416 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.600 9.338 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.230 10.458 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.251 11.395 10.106 1.00 0.00 H new ATOM 685 N SER A 44 2.374 8.398 10.342 1.00 0.00 N ATOM 686 CA SER A 44 3.761 8.416 9.905 1.00 0.00 C ATOM 687 C SER A 44 4.490 7.128 10.253 1.00 0.00 C ATOM 688 O SER A 44 5.475 6.793 9.603 1.00 0.00 O ATOM 689 CB SER A 44 4.467 9.624 10.516 1.00 0.00 C ATOM 690 OG SER A 44 4.440 9.537 11.922 1.00 0.00 O ATOM 0 H SER A 44 2.191 8.945 11.183 1.00 0.00 H new ATOM 0 HA SER A 44 3.775 8.496 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.498 9.669 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.980 10.543 10.191 1.00 0.00 H new ATOM 0 HG SER A 44 4.896 10.314 12.307 1.00 0.00 H new ATOM 696 N LYS A 45 4.018 6.403 11.270 1.00 0.00 N ATOM 697 CA LYS A 45 4.640 5.161 11.695 1.00 0.00 C ATOM 698 C LYS A 45 4.092 4.004 10.872 1.00 0.00 C ATOM 699 O LYS A 45 4.860 3.136 10.467 1.00 0.00 O ATOM 700 CB LYS A 45 4.520 4.967 13.216 1.00 0.00 C ATOM 701 CG LYS A 45 3.293 5.587 13.880 1.00 0.00 C ATOM 702 CD LYS A 45 3.262 7.123 13.809 1.00 0.00 C ATOM 703 CE LYS A 45 2.777 7.743 15.113 1.00 0.00 C ATOM 704 NZ LYS A 45 2.659 9.208 14.973 1.00 0.00 N ATOM 0 H LYS A 45 3.197 6.665 11.816 1.00 0.00 H new ATOM 0 HA LYS A 45 5.712 5.200 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.519 3.897 13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.411 5.384 13.686 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.395 5.192 13.405 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.262 5.280 14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.260 7.496 13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.609 7.436 12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.811 7.319 15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.472 7.503 15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.171 9.598 15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.608 9.627 14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.115 9.432 14.115 1.00 0.00 H new ATOM 718 N ILE A 46 2.780 3.976 10.614 1.00 0.00 N ATOM 719 CA ILE A 46 2.204 3.020 9.680 1.00 0.00 C ATOM 720 C ILE A 46 2.885 3.153 8.315 1.00 0.00 C ATOM 721 O ILE A 46 3.367 2.166 7.757 1.00 0.00 O ATOM 722 CB ILE A 46 0.691 3.269 9.556 1.00 0.00 C ATOM 723 CG1 ILE A 46 -0.011 2.760 10.820 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.086 2.573 8.331 1.00 0.00 C ATOM 725 CD1 ILE A 46 -1.505 3.092 10.808 1.00 0.00 C ATOM 0 H ILE A 46 2.102 4.607 11.042 1.00 0.00 H new ATOM 0 HA ILE A 46 2.364 2.007 10.049 1.00 0.00 H new ATOM 0 HB ILE A 46 0.543 4.342 9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.122 1.681 10.901 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.454 3.205 11.699 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.984 2.779 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.565 2.947 7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.246 1.498 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.969 2.716 11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.637 4.173 10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.975 2.625 9.942 1.00 0.00 H new ATOM 737 N ILE A 47 2.926 4.376 7.776 1.00 0.00 N ATOM 738 CA ILE A 47 3.497 4.610 6.457 1.00 0.00 C ATOM 739 C ILE A 47 4.999 4.362 6.445 1.00 0.00 C ATOM 740 O ILE A 47 5.485 3.670 5.553 1.00 0.00 O ATOM 741 CB ILE A 47 3.142 6.022 5.985 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.647 6.126 5.658 1.00 0.00 C ATOM 743 CG2 ILE A 47 3.951 6.394 4.744 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.138 5.028 4.726 1.00 0.00 C ATOM 0 H ILE A 47 2.570 5.214 8.236 1.00 0.00 H new ATOM 0 HA ILE A 47 3.065 3.897 5.755 1.00 0.00 H new ATOM 0 HB ILE A 47 3.382 6.712 6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.079 6.092 6.588 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.452 7.096 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.684 7.401 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.015 6.358 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.732 5.689 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.073 5.171 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.678 5.074 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.299 4.054 5.189 1.00 0.00 H new ATOM 756 N SER A 48 5.746 4.909 7.410 1.00 0.00 N ATOM 757 CA SER A 48 7.180 4.660 7.450 1.00 0.00 C ATOM 758 C SER A 48 7.441 3.156 7.487 1.00 0.00 C ATOM 759 O SER A 48 8.393 2.680 6.866 1.00 0.00 O ATOM 760 CB SER A 48 7.789 5.337 8.676 1.00 0.00 C ATOM 761 OG SER A 48 9.178 5.090 8.726 1.00 0.00 O ATOM 0 H SER A 48 5.389 5.510 8.152 1.00 0.00 H new ATOM 0 HA SER A 48 7.645 5.075 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.604 6.410 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.312 4.963 9.582 1.00 0.00 H new ATOM 0 HG SER A 48 9.560 5.529 9.514 1.00 0.00 H new ATOM 767 N LEU A 49 6.600 2.405 8.209 1.00 0.00 N ATOM 768 CA LEU A 49 6.788 0.975 8.349 1.00 0.00 C ATOM 769 C LEU A 49 6.531 0.218 7.046 1.00 0.00 C ATOM 770 O LEU A 49 7.309 -0.680 6.724 1.00 0.00 O ATOM 771 CB LEU A 49 5.909 0.463 9.495 1.00 0.00 C ATOM 772 CG LEU A 49 6.072 -1.040 9.728 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.522 -1.410 10.039 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.214 -1.451 10.920 1.00 0.00 C ATOM 0 H LEU A 49 5.786 2.774 8.701 1.00 0.00 H new ATOM 0 HA LEU A 49 7.834 0.786 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.161 0.999 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.864 0.683 9.274 1.00 0.00 H new ATOM 0 HG LEU A 49 5.766 -1.555 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.597 -2.486 10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.158 -1.122 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.846 -0.887 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.323 -2.521 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.536 -0.904 11.806 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.169 -1.222 10.712 1.00 0.00 H new ATOM 786 N ILE A 50 5.477 0.535 6.283 1.00 0.00 N ATOM 787 CA ILE A 50 5.244 -0.199 5.039 1.00 0.00 C ATOM 788 C ILE A 50 6.262 0.178 3.957 1.00 0.00 C ATOM 789 O ILE A 50 6.669 -0.677 3.170 1.00 0.00 O ATOM 790 CB ILE A 50 3.805 -0.037 4.535 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.509 1.414 4.136 1.00 0.00 C ATOM 792 CG2 ILE A 50 2.835 -0.534 5.606 1.00 0.00 C ATOM 793 CD1 ILE A 50 2.091 1.570 3.587 1.00 0.00 C ATOM 0 H ILE A 50 4.798 1.266 6.495 1.00 0.00 H new ATOM 0 HA ILE A 50 5.386 -1.255 5.267 1.00 0.00 H new ATOM 0 HB ILE A 50 3.676 -0.639 3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.638 2.063 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.228 1.739 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.811 -0.420 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.032 -1.586 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.970 0.049 6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.919 2.611 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.971 0.940 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.371 1.270 4.348 1.00 0.00 H new ATOM 805 N ILE A 51 6.681 1.443 3.906 1.00 0.00 N ATOM 806 CA ILE A 51 7.679 1.868 2.932 1.00 0.00 C ATOM 807 C ILE A 51 8.994 1.154 3.216 1.00 0.00 C ATOM 808 O ILE A 51 9.619 0.576 2.327 1.00 0.00 O ATOM 809 CB ILE A 51 7.876 3.382 3.032 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.588 4.116 2.652 1.00 0.00 C ATOM 811 CG2 ILE A 51 9.026 3.821 2.119 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.686 5.589 3.048 1.00 0.00 C ATOM 0 H ILE A 51 6.347 2.183 4.523 1.00 0.00 H new ATOM 0 HA ILE A 51 7.343 1.617 1.926 1.00 0.00 H new ATOM 0 HB ILE A 51 8.125 3.635 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.415 4.031 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.736 3.653 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.160 4.900 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.944 3.319 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.793 3.557 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.764 6.102 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.837 5.667 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.526 6.050 2.529 1.00 0.00 H new ATOM 824 N ASP A 52 9.409 1.203 4.483 1.00 0.00 N ATOM 825 CA ASP A 52 10.614 0.541 4.943 1.00 0.00 C ATOM 826 C ASP A 52 10.542 -0.959 4.658 1.00 0.00 C ATOM 827 O ASP A 52 11.525 -1.565 4.228 1.00 0.00 O ATOM 828 CB ASP A 52 10.740 0.807 6.438 1.00 0.00 C ATOM 829 CG ASP A 52 12.069 0.306 6.994 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.117 0.739 6.465 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.021 -0.507 7.945 1.00 0.00 O ATOM 0 H ASP A 52 8.911 1.707 5.216 1.00 0.00 H new ATOM 0 HA ASP A 52 11.488 0.926 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.648 1.877 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.919 0.319 6.964 1.00 0.00 H new ATOM 836 N TYR A 53 9.375 -1.562 4.896 1.00 0.00 N ATOM 837 CA TYR A 53 9.150 -2.963 4.589 1.00 0.00 C ATOM 838 C TYR A 53 9.433 -3.226 3.111 1.00 0.00 C ATOM 839 O TYR A 53 10.030 -4.244 2.763 1.00 0.00 O ATOM 840 CB TYR A 53 7.704 -3.323 4.928 1.00 0.00 C ATOM 841 CG TYR A 53 7.121 -4.448 4.102 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.315 -5.783 4.478 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.374 -4.147 2.952 1.00 0.00 C ATOM 844 CE1 TYR A 53 6.772 -6.821 3.706 1.00 0.00 C ATOM 845 CE2 TYR A 53 5.826 -5.177 2.177 1.00 0.00 C ATOM 846 CZ TYR A 53 6.021 -6.520 2.551 1.00 0.00 C ATOM 847 OH TYR A 53 5.484 -7.520 1.792 1.00 0.00 O ATOM 0 H TYR A 53 8.568 -1.090 5.305 1.00 0.00 H new ATOM 0 HA TYR A 53 9.823 -3.582 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.650 -3.599 5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.083 -2.436 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.885 -6.014 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.221 -3.117 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.929 -7.849 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.254 -4.941 1.292 1.00 0.00 H new ATOM 0 HH TYR A 53 6.151 -8.226 1.661 1.00 0.00 H new ATOM 857 N SER A 54 9.006 -2.306 2.241 1.00 0.00 N ATOM 858 CA SER A 54 9.207 -2.461 0.810 1.00 0.00 C ATOM 859 C SER A 54 10.681 -2.406 0.428 1.00 0.00 C ATOM 860 O SER A 54 11.152 -3.266 -0.313 1.00 0.00 O ATOM 861 CB SER A 54 8.451 -1.366 0.066 1.00 0.00 C ATOM 862 OG SER A 54 8.444 -1.674 -1.316 1.00 0.00 O ATOM 0 H SER A 54 8.520 -1.450 2.509 1.00 0.00 H new ATOM 0 HA SER A 54 8.827 -3.443 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.430 -1.291 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.925 -0.399 0.235 1.00 0.00 H new ATOM 0 HG SER A 54 9.133 -1.148 -1.772 1.00 0.00 H new ATOM 868 N ARG A 55 11.421 -1.407 0.920 1.00 0.00 N ATOM 869 CA ARG A 55 12.811 -1.228 0.519 1.00 0.00 C ATOM 870 C ARG A 55 13.744 -2.272 1.128 1.00 0.00 C ATOM 871 O ARG A 55 14.809 -2.534 0.570 1.00 0.00 O ATOM 872 CB ARG A 55 13.244 0.217 0.796 1.00 0.00 C ATOM 873 CG ARG A 55 13.369 0.573 2.280 1.00 0.00 C ATOM 874 CD ARG A 55 14.745 0.209 2.842 1.00 0.00 C ATOM 875 NE ARG A 55 14.832 0.557 4.264 1.00 0.00 N ATOM 876 CZ ARG A 55 15.963 0.838 4.916 1.00 0.00 C ATOM 877 NH1 ARG A 55 17.140 0.829 4.291 1.00 0.00 N ATOM 878 NH2 ARG A 55 15.902 1.130 6.211 1.00 0.00 N ATOM 0 H ARG A 55 11.080 -0.718 1.590 1.00 0.00 H new ATOM 0 HA ARG A 55 12.887 -1.398 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.204 0.394 0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.525 0.893 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.194 1.641 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.597 0.051 2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.926 -0.858 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.521 0.734 2.286 1.00 0.00 H new ATOM 0 HE ARG A 55 13.962 0.587 4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.188 0.605 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.993 1.046 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.002 1.137 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.755 1.347 6.726 1.00 0.00 H new ATOM 892 N LEU A 56 13.365 -2.871 2.258 1.00 0.00 N ATOM 893 CA LEU A 56 14.163 -3.908 2.902 1.00 0.00 C ATOM 894 C LEU A 56 13.997 -5.294 2.273 1.00 0.00 C ATOM 895 O LEU A 56 14.811 -6.178 2.543 1.00 0.00 O ATOM 896 CB LEU A 56 13.772 -3.991 4.377 1.00 0.00 C ATOM 897 CG LEU A 56 14.300 -2.817 5.206 1.00 0.00 C ATOM 898 CD1 LEU A 56 13.832 -2.994 6.648 1.00 0.00 C ATOM 899 CD2 LEU A 56 15.825 -2.765 5.195 1.00 0.00 C ATOM 0 H LEU A 56 12.499 -2.650 2.749 1.00 0.00 H new ATOM 0 HA LEU A 56 15.207 -3.623 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.685 -4.025 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.152 -4.923 4.795 1.00 0.00 H new ATOM 0 HG LEU A 56 13.920 -1.891 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.199 -2.166 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.743 -3.010 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.220 -3.933 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.165 -1.920 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.224 -3.689 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.178 -2.649 4.170 1.00 0.00 H new ATOM 911 N CYS A 57 12.966 -5.502 1.451 1.00 0.00 N ATOM 912 CA CYS A 57 12.625 -6.830 0.954 1.00 0.00 C ATOM 913 C CYS A 57 12.681 -6.930 -0.578 1.00 0.00 C ATOM 914 O CYS A 57 12.575 -5.918 -1.269 1.00 0.00 O ATOM 915 CB CYS A 57 11.255 -7.204 1.517 1.00 0.00 C ATOM 916 SG CYS A 57 11.364 -7.297 3.324 1.00 0.00 S ATOM 0 H CYS A 57 12.351 -4.760 1.116 1.00 0.00 H new ATOM 0 HA CYS A 57 13.372 -7.546 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.512 -6.463 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.929 -8.161 1.110 1.00 0.00 H new ATOM 0 HG CYS A 57 10.404 -6.598 3.853 1.00 0.00 H new ATOM 922 N PRO A 58 12.849 -8.154 -1.109 1.00 0.00 N ATOM 923 CA PRO A 58 12.994 -8.437 -2.534 1.00 0.00 C ATOM 924 C PRO A 58 11.690 -8.282 -3.328 1.00 0.00 C ATOM 925 O PRO A 58 10.685 -7.790 -2.820 1.00 0.00 O ATOM 926 CB PRO A 58 13.523 -9.872 -2.586 1.00 0.00 C ATOM 927 CG PRO A 58 12.888 -10.518 -1.362 1.00 0.00 C ATOM 928 CD PRO A 58 12.931 -9.385 -0.342 1.00 0.00 C ATOM 0 HA PRO A 58 13.666 -7.721 -3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.229 -10.377 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.612 -9.902 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.869 -10.850 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.448 -11.391 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.103 -9.462 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.850 -9.420 0.242 1.00 0.00 H new ATOM 936 N ASP A 59 11.729 -8.714 -4.594 1.00 0.00 N ATOM 937 CA ASP A 59 10.703 -8.507 -5.613 1.00 0.00 C ATOM 938 C ASP A 59 9.286 -8.888 -5.173 1.00 0.00 C ATOM 939 O ASP A 59 8.335 -8.139 -5.418 1.00 0.00 O ATOM 940 CB ASP A 59 11.081 -9.354 -6.834 1.00 0.00 C ATOM 941 CG ASP A 59 12.451 -8.983 -7.404 1.00 0.00 C ATOM 942 OD1 ASP A 59 12.818 -7.790 -7.311 1.00 0.00 O ATOM 943 OD2 ASP A 59 13.119 -9.899 -7.929 1.00 0.00 O ATOM 0 H ASP A 59 12.523 -9.246 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 59 10.676 -7.438 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.081 -10.408 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.323 -9.229 -7.608 1.00 0.00 H new ATOM 948 N SER A 60 9.133 -10.047 -4.525 1.00 0.00 N ATOM 949 CA SER A 60 7.829 -10.505 -4.074 1.00 0.00 C ATOM 950 C SER A 60 7.229 -9.503 -3.101 1.00 0.00 C ATOM 951 O SER A 60 6.010 -9.347 -3.038 1.00 0.00 O ATOM 952 CB SER A 60 7.965 -11.865 -3.391 1.00 0.00 C ATOM 953 OG SER A 60 9.045 -11.847 -2.478 1.00 0.00 O ATOM 0 H SER A 60 9.901 -10.681 -4.304 1.00 0.00 H new ATOM 0 HA SER A 60 7.171 -10.599 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.041 -12.111 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.125 -12.642 -4.139 1.00 0.00 H new ATOM 0 HG SER A 60 9.122 -12.723 -2.045 1.00 0.00 H new ATOM 959 N HIS A 61 8.087 -8.821 -2.343 1.00 0.00 N ATOM 960 CA HIS A 61 7.633 -7.829 -1.390 1.00 0.00 C ATOM 961 C HIS A 61 7.462 -6.466 -2.054 1.00 0.00 C ATOM 962 O HIS A 61 6.831 -5.594 -1.465 1.00 0.00 O ATOM 963 CB HIS A 61 8.582 -7.771 -0.198 1.00 0.00 C ATOM 964 CG HIS A 61 8.656 -9.075 0.554 1.00 0.00 C ATOM 965 ND1 HIS A 61 8.008 -9.355 1.761 1.00 0.00 N ATOM 966 CD2 HIS A 61 9.372 -10.172 0.167 1.00 0.00 C ATOM 967 CE1 HIS A 61 8.357 -10.616 2.070 1.00 0.00 C ATOM 968 NE2 HIS A 61 9.172 -11.130 1.134 1.00 0.00 N ATOM 0 H HIS A 61 9.099 -8.943 -2.376 1.00 0.00 H new ATOM 0 HA HIS A 61 6.651 -8.123 -1.019 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.579 -7.501 -0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.257 -6.983 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.976 -10.268 -0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.027 -11.145 2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.573 -12.068 1.139 1.00 0.00 H new ATOM 976 N LYS A 62 8.002 -6.252 -3.265 1.00 0.00 N ATOM 977 CA LYS A 62 7.703 -5.039 -4.012 1.00 0.00 C ATOM 978 C LYS A 62 6.249 -5.129 -4.456 1.00 0.00 C ATOM 979 O LYS A 62 5.501 -4.155 -4.366 1.00 0.00 O ATOM 980 CB LYS A 62 8.622 -4.901 -5.232 1.00 0.00 C ATOM 981 CG LYS A 62 10.110 -4.925 -4.875 1.00 0.00 C ATOM 982 CD LYS A 62 10.497 -3.808 -3.909 1.00 0.00 C ATOM 983 CE LYS A 62 12.008 -3.882 -3.689 1.00 0.00 C ATOM 984 NZ LYS A 62 12.466 -2.843 -2.753 1.00 0.00 N ATOM 0 H LYS A 62 8.637 -6.898 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 62 7.867 -4.162 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.410 -5.710 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.394 -3.967 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.358 -5.888 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.701 -4.834 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.218 -2.837 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.967 -3.921 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.273 -4.866 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.522 -3.767 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.504 -2.865 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.160 -1.909 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.058 -3.019 -1.812 1.00 0.00 H new ATOM 998 N LEU A 63 5.846 -6.310 -4.938 1.00 0.00 N ATOM 999 CA LEU A 63 4.461 -6.531 -5.334 1.00 0.00 C ATOM 1000 C LEU A 63 3.552 -6.471 -4.104 1.00 0.00 C ATOM 1001 O LEU A 63 2.532 -5.780 -4.111 1.00 0.00 O ATOM 1002 CB LEU A 63 4.350 -7.884 -6.038 1.00 0.00 C ATOM 1003 CG LEU A 63 2.923 -8.165 -6.522 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.451 -7.115 -7.526 1.00 0.00 C ATOM 1005 CD2 LEU A 63 2.891 -9.535 -7.197 1.00 0.00 C ATOM 0 H LEU A 63 6.457 -7.117 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 63 4.142 -5.751 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.032 -7.907 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.664 -8.674 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 63 2.260 -8.136 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.435 -7.348 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.467 -6.131 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.113 -7.116 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.880 -9.745 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.575 -9.539 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.195 -10.300 -6.482 1.00 0.00 H new ATOM 1017 N GLY A 64 3.921 -7.197 -3.045 1.00 0.00 N ATOM 1018 CA GLY A 64 3.149 -7.200 -1.812 1.00 0.00 C ATOM 1019 C GLY A 64 3.049 -5.796 -1.236 1.00 0.00 C ATOM 1020 O GLY A 64 2.008 -5.411 -0.712 1.00 0.00 O ATOM 0 H GLY A 64 4.751 -7.789 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.150 -7.592 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.618 -7.864 -1.085 1.00 0.00 H new ATOM 1024 N SER A 65 4.135 -5.024 -1.333 1.00 0.00 N ATOM 1025 CA SER A 65 4.147 -3.650 -0.869 1.00 0.00 C ATOM 1026 C SER A 65 3.118 -2.839 -1.631 1.00 0.00 C ATOM 1027 O SER A 65 2.306 -2.159 -1.011 1.00 0.00 O ATOM 1028 CB SER A 65 5.534 -3.043 -1.057 1.00 0.00 C ATOM 1029 OG SER A 65 5.463 -1.665 -0.781 1.00 0.00 O ATOM 0 H SER A 65 5.019 -5.338 -1.733 1.00 0.00 H new ATOM 0 HA SER A 65 3.898 -3.634 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.251 -3.525 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.884 -3.207 -2.076 1.00 0.00 H new ATOM 0 HG SER A 65 6.121 -1.187 -1.328 1.00 0.00 H new ATOM 1035 N LEU A 66 3.132 -2.896 -2.967 1.00 0.00 N ATOM 1036 CA LEU A 66 2.157 -2.147 -3.739 1.00 0.00 C ATOM 1037 C LEU A 66 0.727 -2.547 -3.379 1.00 0.00 C ATOM 1038 O LEU A 66 -0.148 -1.686 -3.393 1.00 0.00 O ATOM 1039 CB LEU A 66 2.405 -2.329 -5.237 1.00 0.00 C ATOM 1040 CG LEU A 66 3.674 -1.619 -5.720 1.00 0.00 C ATOM 1041 CD1 LEU A 66 3.786 -1.817 -7.229 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.626 -0.116 -5.440 1.00 0.00 C ATOM 0 H LEU A 66 3.794 -3.442 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 66 2.277 -1.093 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.482 -3.393 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.548 -1.948 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 66 4.527 -2.041 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.684 -1.319 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.845 -2.882 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.910 -1.391 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.544 0.350 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.772 0.323 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.528 0.051 -4.367 1.00 0.00 H new ATOM 1054 N TYR A 67 0.463 -3.816 -3.055 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.886 -4.208 -2.658 1.00 0.00 C ATOM 1056 C TYR A 67 -1.242 -3.687 -1.259 1.00 0.00 C ATOM 1057 O TYR A 67 -2.403 -3.365 -1.006 1.00 0.00 O ATOM 1058 CB TYR A 67 -1.060 -5.727 -2.766 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.435 -6.190 -4.163 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.648 -5.820 -5.264 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.574 -6.988 -4.357 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -1.012 -6.217 -6.557 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.945 -7.392 -5.647 1.00 0.00 C ATOM 1064 CZ TYR A 67 -2.170 -6.995 -6.754 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.534 -7.364 -8.013 1.00 0.00 O ATOM 0 H TYR A 67 1.149 -4.571 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.589 -3.743 -3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.132 -6.214 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.830 -6.048 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.242 -5.227 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.168 -7.292 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.406 -5.927 -7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.822 -8.006 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.888 -7.007 -8.658 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.271 -3.598 -0.342 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.518 -3.075 0.999 1.00 0.00 C ATOM 1077 C ILE A 68 -0.647 -1.548 0.961 1.00 0.00 C ATOM 1078 O ILE A 68 -1.498 -0.972 1.638 1.00 0.00 O ATOM 1079 CB ILE A 68 0.602 -3.551 1.939 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.493 -5.074 2.085 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.490 -2.888 3.317 1.00 0.00 C ATOM 1082 CD1 ILE A 68 1.777 -5.685 2.642 1.00 0.00 C ATOM 0 H ILE A 68 0.694 -3.883 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.463 -3.457 1.385 1.00 0.00 H new ATOM 0 HB ILE A 68 1.567 -3.273 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.341 -5.317 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.271 -5.517 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.296 -3.245 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.565 -1.806 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.471 -3.141 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.658 -6.765 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.606 -5.465 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.985 -5.262 3.625 1.00 0.00 H new ATOM 1094 N ILE A 69 0.199 -0.893 0.163 1.00 0.00 N ATOM 1095 CA ILE A 69 0.122 0.541 -0.066 1.00 0.00 C ATOM 1096 C ILE A 69 -1.199 0.859 -0.755 1.00 0.00 C ATOM 1097 O ILE A 69 -1.810 1.888 -0.484 1.00 0.00 O ATOM 1098 CB ILE A 69 1.304 0.970 -0.940 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.611 0.839 -0.145 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.125 2.417 -1.411 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.818 0.927 -1.079 1.00 0.00 C ATOM 0 H ILE A 69 0.958 -1.350 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 69 0.168 1.083 0.878 1.00 0.00 H new ATOM 0 HB ILE A 69 1.346 0.321 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.667 1.627 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.625 -0.111 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.974 2.706 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.207 2.499 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.067 3.077 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.735 0.832 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.769 0.123 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.811 1.889 -1.592 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.642 -0.026 -1.651 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.900 0.146 -2.353 1.00 0.00 C ATOM 1115 C ASP A 70 -4.083 0.016 -1.398 1.00 0.00 C ATOM 1116 O ASP A 70 -5.007 0.817 -1.484 1.00 0.00 O ATOM 1117 CB ASP A 70 -3.006 -0.888 -3.474 1.00 0.00 C ATOM 1118 CG ASP A 70 -4.396 -0.882 -4.103 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.666 0.039 -4.907 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -5.169 -1.803 -3.768 1.00 0.00 O ATOM 0 H ASP A 70 -1.136 -0.875 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.926 1.148 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.258 -0.677 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.787 -1.880 -3.079 1.00 0.00 H new ATOM 1125 N SER A 71 -4.073 -0.973 -0.495 1.00 0.00 N ATOM 1126 CA SER A 71 -5.190 -1.193 0.406 1.00 0.00 C ATOM 1127 C SER A 71 -5.334 -0.048 1.397 1.00 0.00 C ATOM 1128 O SER A 71 -6.389 0.583 1.474 1.00 0.00 O ATOM 1129 CB SER A 71 -5.002 -2.534 1.116 1.00 0.00 C ATOM 1130 OG SER A 71 -3.832 -2.535 1.902 1.00 0.00 O ATOM 0 H SER A 71 -3.300 -1.628 -0.376 1.00 0.00 H new ATOM 0 HA SER A 71 -6.116 -1.225 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.867 -2.739 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.948 -3.335 0.378 1.00 0.00 H new ATOM 0 HG SER A 71 -3.147 -1.983 1.470 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.277 0.229 2.162 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.294 1.322 3.115 1.00 0.00 C ATOM 1138 C ILE A 72 -4.421 2.648 2.357 1.00 0.00 C ATOM 1139 O ILE A 72 -4.995 3.604 2.875 1.00 0.00 O ATOM 1140 CB ILE A 72 -3.027 1.246 3.978 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.960 -0.126 4.662 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -3.028 2.349 5.038 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.731 -0.266 5.556 1.00 0.00 C ATOM 0 H ILE A 72 -3.401 -0.293 2.135 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.151 1.252 3.785 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.156 1.383 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.860 -0.277 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.946 -0.908 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.121 2.277 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.063 3.323 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.900 2.234 5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.728 -1.253 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.829 -0.143 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.757 0.498 6.333 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.889 2.712 1.132 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.947 3.911 0.309 1.00 0.00 C ATOM 1157 C GLY A 73 -5.368 4.249 -0.133 1.00 0.00 C ATOM 1158 O GLY A 73 -5.832 5.361 0.100 1.00 0.00 O ATOM 0 H GLY A 73 -3.407 1.930 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.534 4.751 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.319 3.774 -0.571 1.00 0.00 H new ATOM 1162 N ARG A 74 -6.074 3.304 -0.772 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.436 3.550 -1.233 1.00 0.00 C ATOM 1164 C ARG A 74 -8.380 3.743 -0.051 1.00 0.00 C ATOM 1165 O ARG A 74 -9.326 4.525 -0.132 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.893 2.420 -2.166 1.00 0.00 C ATOM 1167 CG ARG A 74 -8.072 1.071 -1.473 1.00 0.00 C ATOM 1168 CD ARG A 74 -8.223 0.046 -2.593 1.00 0.00 C ATOM 1169 NE ARG A 74 -8.343 -1.361 -2.175 1.00 0.00 N ATOM 1170 CZ ARG A 74 -8.637 -1.885 -0.979 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -8.809 -1.150 0.119 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -8.762 -3.205 -0.883 1.00 0.00 N ATOM 0 H ARG A 74 -5.721 2.369 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.456 4.476 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.837 2.706 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.164 2.310 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.214 0.838 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.950 1.077 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.105 0.306 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.363 0.134 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.176 -2.044 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.718 -0.135 0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.032 -1.602 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.634 -3.791 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.986 -3.632 0.016 1.00 0.00 H new ATOM 1186 N ALA A 75 -8.123 3.032 1.050 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.929 3.180 2.246 1.00 0.00 C ATOM 1188 C ALA A 75 -8.735 4.575 2.849 1.00 0.00 C ATOM 1189 O ALA A 75 -9.710 5.230 3.213 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.548 2.074 3.222 1.00 0.00 C ATOM 0 H ALA A 75 -7.365 2.354 1.130 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.989 3.086 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.144 2.168 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.736 1.103 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.490 2.158 3.472 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.483 5.032 2.959 1.00 0.00 N ATOM 1197 CA TYR A 76 -7.186 6.366 3.461 1.00 0.00 C ATOM 1198 C TYR A 76 -7.760 7.419 2.528 1.00 0.00 C ATOM 1199 O TYR A 76 -8.397 8.365 2.989 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.673 6.568 3.572 1.00 0.00 C ATOM 1201 CG TYR A 76 -4.999 5.951 4.778 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.637 4.969 5.554 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.708 6.380 5.118 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.988 4.426 6.672 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -3.060 5.852 6.243 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.704 4.879 7.030 1.00 0.00 C ATOM 1207 OH TYR A 76 -3.077 4.382 8.135 1.00 0.00 O ATOM 0 H TYR A 76 -6.658 4.489 2.704 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.639 6.468 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.207 6.161 2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.471 7.639 3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.628 4.632 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.211 7.121 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.473 3.660 7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.069 6.191 6.505 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.198 4.805 8.231 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.538 7.254 1.222 1.00 0.00 N ATOM 1218 CA LEU A 77 -7.986 8.203 0.224 1.00 0.00 C ATOM 1219 C LEU A 77 -9.489 8.421 0.332 1.00 0.00 C ATOM 1220 O LEU A 77 -9.945 9.561 0.295 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.587 7.687 -1.161 1.00 0.00 C ATOM 1222 CG LEU A 77 -8.071 8.603 -2.288 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.507 10.014 -2.140 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.616 8.025 -3.625 1.00 0.00 C ATOM 0 H LEU A 77 -7.040 6.453 0.835 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.511 9.170 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.502 7.595 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.999 6.688 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.158 8.662 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.870 10.638 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.829 10.437 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.418 9.976 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.956 8.670 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.528 7.963 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.039 7.029 -3.753 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.267 7.341 0.468 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.709 7.475 0.606 1.00 0.00 C ATOM 1238 C ASP A 78 -12.067 8.139 1.931 1.00 0.00 C ATOM 1239 O ASP A 78 -12.889 9.057 1.963 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.363 6.100 0.514 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.879 6.233 0.410 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.371 6.388 -0.731 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.538 6.180 1.470 1.00 0.00 O ATOM 0 H ASP A 78 -9.923 6.381 0.485 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.080 8.106 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.979 5.566 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.104 5.508 1.392 1.00 0.00 H new ATOM 1248 N GLU A 79 -11.457 7.678 3.027 1.00 0.00 N ATOM 1249 CA GLU A 79 -11.789 8.168 4.357 1.00 0.00 C ATOM 1250 C GLU A 79 -11.445 9.648 4.544 1.00 0.00 C ATOM 1251 O GLU A 79 -12.056 10.305 5.385 1.00 0.00 O ATOM 1252 CB GLU A 79 -11.062 7.320 5.406 1.00 0.00 C ATOM 1253 CG GLU A 79 -11.706 5.938 5.555 1.00 0.00 C ATOM 1254 CD GLU A 79 -13.088 6.042 6.200 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -13.137 6.219 7.437 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -14.088 5.945 5.454 1.00 0.00 O ATOM 0 H GLU A 79 -10.729 6.964 3.013 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.868 8.079 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.016 7.206 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.078 7.835 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.793 5.466 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.065 5.298 6.162 1.00 0.00 H new ATOM 1263 N THR A 80 -10.486 10.188 3.783 1.00 0.00 N ATOM 1264 CA THR A 80 -10.136 11.599 3.905 1.00 0.00 C ATOM 1265 C THR A 80 -10.794 12.454 2.822 1.00 0.00 C ATOM 1266 O THR A 80 -11.042 13.639 3.041 1.00 0.00 O ATOM 1267 CB THR A 80 -8.611 11.765 3.934 1.00 0.00 C ATOM 1268 OG1 THR A 80 -8.287 13.075 4.337 1.00 0.00 O ATOM 1269 CG2 THR A 80 -7.966 11.508 2.575 1.00 0.00 C ATOM 0 H THR A 80 -9.947 9.673 3.086 1.00 0.00 H new ATOM 0 HA THR A 80 -10.532 11.966 4.852 1.00 0.00 H new ATOM 0 HB THR A 80 -8.226 11.027 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.531 13.403 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.887 11.639 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.185 10.489 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.365 12.212 1.844 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.085 11.874 1.651 1.00 0.00 N ATOM 1278 CA ARG A 81 -11.705 12.616 0.559 1.00 0.00 C ATOM 1279 C ARG A 81 -13.228 12.677 0.703 1.00 0.00 C ATOM 1280 O ARG A 81 -13.864 13.531 0.087 1.00 0.00 O ATOM 1281 CB ARG A 81 -11.271 11.999 -0.769 1.00 0.00 C ATOM 1282 CG ARG A 81 -11.708 12.861 -1.957 1.00 0.00 C ATOM 1283 CD ARG A 81 -11.082 12.355 -3.255 1.00 0.00 C ATOM 1284 NE ARG A 81 -11.506 10.984 -3.563 1.00 0.00 N ATOM 1285 CZ ARG A 81 -11.215 10.355 -4.704 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -10.498 10.954 -5.654 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -11.638 9.112 -4.907 1.00 0.00 N ATOM 0 H ARG A 81 -10.899 10.893 1.441 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.366 13.652 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -10.187 11.884 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.699 11.001 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.795 12.846 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -11.416 13.897 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.362 13.016 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.996 12.390 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.055 10.483 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.163 11.907 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.284 10.459 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.186 8.636 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.415 8.633 -5.780 1.00 0.00 H new ATOM 1441 N THR A 93 -2.445 12.781 10.184 1.00 0.00 N ATOM 1442 CA THR A 93 -3.271 11.609 9.925 1.00 0.00 C ATOM 1443 C THR A 93 -3.164 11.072 8.493 1.00 0.00 C ATOM 1444 O THR A 93 -2.206 11.367 7.783 1.00 0.00 O ATOM 1445 CB THR A 93 -4.714 11.854 10.385 1.00 0.00 C ATOM 1446 OG1 THR A 93 -4.967 13.214 10.663 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.904 11.048 11.669 1.00 0.00 C ATOM 0 HA THR A 93 -2.869 10.796 10.530 1.00 0.00 H new ATOM 0 HB THR A 93 -5.399 11.556 9.591 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.117 13.698 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.919 11.188 12.040 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.736 9.991 11.463 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.193 11.389 12.421 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.154 10.279 8.069 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.156 9.588 6.787 1.00 0.00 C ATOM 1457 C CYS A 94 -3.919 10.516 5.591 1.00 0.00 C ATOM 1458 O CYS A 94 -3.387 10.070 4.575 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.493 8.857 6.646 1.00 0.00 C ATOM 1460 SG CYS A 94 -6.868 10.025 6.842 1.00 0.00 S ATOM 0 H CYS A 94 -4.991 10.100 8.623 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.321 8.887 6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.551 8.375 5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.566 8.069 7.395 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.557 10.916 7.736 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.297 11.793 5.680 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.018 12.729 4.602 1.00 0.00 C ATOM 1468 C ALA A 95 -2.508 12.896 4.434 1.00 0.00 C ATOM 1469 O ALA A 95 -1.978 12.860 3.321 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.688 14.065 4.922 1.00 0.00 C ATOM 0 H ALA A 95 -4.790 12.194 6.478 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.418 12.349 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.485 14.775 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.764 13.919 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.293 14.455 5.860 1.00 0.00 H new ATOM 1476 N HIS A 96 -1.804 13.079 5.553 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.356 13.212 5.528 1.00 0.00 C ATOM 1478 C HIS A 96 0.298 11.862 5.269 1.00 0.00 C ATOM 1479 O HIS A 96 1.434 11.811 4.810 1.00 0.00 O ATOM 1480 CB HIS A 96 0.140 13.813 6.842 1.00 0.00 C ATOM 1481 CG HIS A 96 -0.064 15.304 6.921 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -1.224 15.988 6.545 1.00 0.00 N ATOM 1483 CD2 HIS A 96 0.861 16.203 7.371 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -0.966 17.284 6.781 1.00 0.00 C ATOM 1485 NE2 HIS A 96 0.274 17.443 7.276 1.00 0.00 N ATOM 0 H HIS A 96 -2.217 13.138 6.484 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.079 13.884 4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.380 13.336 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.200 13.590 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.856 15.983 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.661 18.090 6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.705 18.330 7.536 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.405 10.764 5.555 1.00 0.00 N ATOM 1494 CA ALA A 97 0.102 9.437 5.254 1.00 0.00 C ATOM 1495 C ALA A 97 0.206 9.265 3.741 1.00 0.00 C ATOM 1496 O ALA A 97 1.222 8.788 3.240 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.843 8.404 5.855 1.00 0.00 C ATOM 0 H ALA A 97 -1.326 10.775 5.994 1.00 0.00 H new ATOM 0 HA ALA A 97 1.095 9.301 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.474 7.402 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.895 8.544 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.837 8.526 5.425 1.00 0.00 H new ATOM 1503 N ILE A 98 -0.846 9.653 3.010 1.00 0.00 N ATOM 1504 CA ILE A 98 -0.814 9.618 1.556 1.00 0.00 C ATOM 1505 C ILE A 98 0.266 10.578 1.062 1.00 0.00 C ATOM 1506 O ILE A 98 1.011 10.257 0.135 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.193 9.998 0.994 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.244 8.968 1.428 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.145 10.072 -0.532 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.661 9.467 1.144 1.00 0.00 C ATOM 0 H ILE A 98 -1.723 9.992 3.406 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.577 8.612 1.209 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.467 10.977 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.075 8.029 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.136 8.761 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.129 10.342 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.418 10.825 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.853 9.102 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.382 8.715 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.837 10.393 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.775 9.649 0.075 1.00 0.00 H new ATOM 1522 N ASN A 99 0.357 11.759 1.681 1.00 0.00 N ATOM 1523 CA ASN A 99 1.364 12.734 1.288 1.00 0.00 C ATOM 1524 C ASN A 99 2.784 12.215 1.528 1.00 0.00 C ATOM 1525 O ASN A 99 3.698 12.532 0.767 1.00 0.00 O ATOM 1526 CB ASN A 99 1.131 14.031 2.060 1.00 0.00 C ATOM 1527 CG ASN A 99 1.986 15.158 1.500 1.00 0.00 C ATOM 1528 OD1 ASN A 99 2.912 15.629 2.155 1.00 0.00 O ATOM 1529 ND2 ASN A 99 1.680 15.594 0.282 1.00 0.00 N ATOM 0 H ASN A 99 -0.249 12.055 2.446 1.00 0.00 H new ATOM 0 HA ASN A 99 1.268 12.917 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.078 14.307 2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.367 13.879 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.223 16.347 -0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.903 15.176 -0.229 1.00 0.00 H new ATOM 1536 N THR A 100 2.976 11.418 2.582 1.00 0.00 N ATOM 1537 CA THR A 100 4.281 10.853 2.898 1.00 0.00 C ATOM 1538 C THR A 100 4.641 9.745 1.912 1.00 0.00 C ATOM 1539 O THR A 100 5.792 9.645 1.500 1.00 0.00 O ATOM 1540 CB THR A 100 4.310 10.342 4.338 1.00 0.00 C ATOM 1541 OG1 THR A 100 4.041 11.398 5.233 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.697 9.791 4.663 1.00 0.00 C ATOM 0 H THR A 100 2.237 11.151 3.232 1.00 0.00 H new ATOM 0 HA THR A 100 5.030 11.639 2.805 1.00 0.00 H new ATOM 0 HB THR A 100 3.556 9.562 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.089 11.626 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.713 9.428 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.931 8.970 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.439 10.581 4.546 1.00 0.00 H new ATOM 1550 N LEU A 101 3.681 8.903 1.517 1.00 0.00 N ATOM 1551 CA LEU A 101 3.952 7.933 0.470 1.00 0.00 C ATOM 1552 C LEU A 101 4.293 8.686 -0.817 1.00 0.00 C ATOM 1553 O LEU A 101 5.079 8.205 -1.627 1.00 0.00 O ATOM 1554 CB LEU A 101 2.722 7.059 0.231 1.00 0.00 C ATOM 1555 CG LEU A 101 2.468 6.055 1.354 1.00 0.00 C ATOM 1556 CD1 LEU A 101 1.034 5.535 1.221 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.436 4.882 1.225 1.00 0.00 C ATOM 0 H LEU A 101 2.736 8.877 1.899 1.00 0.00 H new ATOM 0 HA LEU A 101 4.784 7.296 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.846 7.698 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.845 6.520 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 101 2.613 6.536 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.833 4.816 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.336 6.368 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.911 5.050 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.252 4.168 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.288 4.392 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.461 5.247 1.292 1.00 0.00 H new ATOM 1569 N GLY A 102 3.701 9.870 -1.001 1.00 0.00 N ATOM 1570 CA GLY A 102 3.940 10.707 -2.167 1.00 0.00 C ATOM 1571 C GLY A 102 5.409 11.096 -2.347 1.00 0.00 C ATOM 1572 O GLY A 102 5.777 11.549 -3.428 1.00 0.00 O ATOM 0 H GLY A 102 3.039 10.272 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.600 10.180 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.340 11.613 -2.083 1.00 0.00 H new ATOM 1576 N GLU A 103 6.259 10.934 -1.325 1.00 0.00 N ATOM 1577 CA GLU A 103 7.667 11.301 -1.443 1.00 0.00 C ATOM 1578 C GLU A 103 8.554 10.081 -1.702 1.00 0.00 C ATOM 1579 O GLU A 103 9.756 10.232 -1.913 1.00 0.00 O ATOM 1580 CB GLU A 103 8.114 12.116 -0.224 1.00 0.00 C ATOM 1581 CG GLU A 103 8.651 11.256 0.919 1.00 0.00 C ATOM 1582 CD GLU A 103 9.005 12.122 2.126 1.00 0.00 C ATOM 1583 OE1 GLU A 103 8.068 12.509 2.863 1.00 0.00 O ATOM 1584 OE2 GLU A 103 10.215 12.392 2.308 1.00 0.00 O ATOM 0 H GLU A 103 5.995 10.554 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 103 7.783 11.941 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.886 12.821 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.271 12.704 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.905 10.514 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.533 10.709 0.586 1.00 0.00 H new ATOM 1591 N VAL A 104 7.968 8.878 -1.687 1.00 0.00 N ATOM 1592 CA VAL A 104 8.704 7.637 -1.904 1.00 0.00 C ATOM 1593 C VAL A 104 8.114 6.813 -3.050 1.00 0.00 C ATOM 1594 O VAL A 104 8.804 5.960 -3.607 1.00 0.00 O ATOM 1595 CB VAL A 104 8.712 6.796 -0.627 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.448 7.524 0.496 1.00 0.00 C ATOM 1597 CG2 VAL A 104 7.289 6.473 -0.190 1.00 0.00 C ATOM 0 H VAL A 104 6.970 8.743 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 104 9.724 7.911 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 104 9.235 5.864 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.441 6.907 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.478 7.713 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.951 8.472 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.315 5.874 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.748 7.400 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.784 5.914 -0.978 1.00 0.00 H new ATOM 1607 N ILE A 105 6.850 7.055 -3.408 1.00 0.00 N ATOM 1608 CA ILE A 105 6.148 6.292 -4.425 1.00 0.00 C ATOM 1609 C ILE A 105 6.908 6.259 -5.750 1.00 0.00 C ATOM 1610 O ILE A 105 6.703 5.347 -6.548 1.00 0.00 O ATOM 1611 CB ILE A 105 4.741 6.886 -4.569 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.810 5.995 -5.388 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.792 8.283 -5.186 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.658 4.641 -4.695 1.00 0.00 C ATOM 0 H ILE A 105 6.286 7.795 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 105 6.074 5.248 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 105 4.335 6.953 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.836 6.471 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.211 5.858 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.780 8.678 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.383 8.941 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.249 8.228 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.993 4.005 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.634 4.164 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.238 4.787 -3.700 1.00 0.00 H new ATOM 1626 N GLN A 106 7.781 7.241 -5.991 1.00 0.00 N ATOM 1627 CA GLN A 106 8.591 7.291 -7.197 1.00 0.00 C ATOM 1628 C GLN A 106 9.479 6.052 -7.331 1.00 0.00 C ATOM 1629 O GLN A 106 9.441 5.379 -8.360 1.00 0.00 O ATOM 1630 CB GLN A 106 9.387 8.602 -7.236 1.00 0.00 C ATOM 1631 CG GLN A 106 10.244 8.827 -5.984 1.00 0.00 C ATOM 1632 CD GLN A 106 10.943 10.184 -6.000 1.00 0.00 C ATOM 1633 OE1 GLN A 106 10.902 10.909 -6.990 1.00 0.00 O ATOM 1634 NE2 GLN A 106 11.591 10.537 -4.894 1.00 0.00 N ATOM 0 H GLN A 106 7.941 8.020 -5.352 1.00 0.00 H new ATOM 0 HA GLN A 106 7.934 7.278 -8.066 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.032 8.602 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.695 9.436 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.614 8.755 -5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.991 8.036 -5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.605 9.910 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.074 11.434 -4.850 1.00 0.00 H new ATOM 1643 N GLU A 107 10.276 5.747 -6.305 1.00 0.00 N ATOM 1644 CA GLU A 107 11.184 4.614 -6.370 1.00 0.00 C ATOM 1645 C GLU A 107 10.435 3.305 -6.134 1.00 0.00 C ATOM 1646 O GLU A 107 10.841 2.267 -6.650 1.00 0.00 O ATOM 1647 CB GLU A 107 12.339 4.804 -5.385 1.00 0.00 C ATOM 1648 CG GLU A 107 11.871 4.947 -3.936 1.00 0.00 C ATOM 1649 CD GLU A 107 13.061 5.100 -2.993 1.00 0.00 C ATOM 1650 OE1 GLU A 107 13.498 6.255 -2.797 1.00 0.00 O ATOM 1651 OE2 GLU A 107 13.525 4.060 -2.474 1.00 0.00 O ATOM 0 H GLU A 107 10.307 6.268 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 107 11.612 4.559 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.017 3.954 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.907 5.690 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.216 5.813 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.285 4.073 -3.651 1.00 0.00 H new ATOM 1658 N LEU A 108 9.344 3.342 -5.361 1.00 0.00 N ATOM 1659 CA LEU A 108 8.563 2.143 -5.101 1.00 0.00 C ATOM 1660 C LEU A 108 7.973 1.621 -6.408 1.00 0.00 C ATOM 1661 O LEU A 108 8.139 0.448 -6.733 1.00 0.00 O ATOM 1662 CB LEU A 108 7.465 2.435 -4.074 1.00 0.00 C ATOM 1663 CG LEU A 108 8.036 2.859 -2.714 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.885 3.162 -1.758 1.00 0.00 C ATOM 1665 CD2 LEU A 108 8.898 1.763 -2.096 1.00 0.00 C ATOM 0 H LEU A 108 8.989 4.186 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 108 9.211 1.373 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.815 3.223 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.846 1.547 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 108 8.657 3.740 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.286 3.464 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.276 3.969 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.270 2.270 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.283 2.102 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.296 0.866 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.731 1.537 -2.761 1.00 0.00 H new ATOM 1677 N LEU A 109 7.286 2.489 -7.160 1.00 0.00 N ATOM 1678 CA LEU A 109 6.742 2.122 -8.459 1.00 0.00 C ATOM 1679 C LEU A 109 7.862 1.807 -9.430 1.00 0.00 C ATOM 1680 O LEU A 109 7.905 0.688 -9.930 1.00 0.00 O ATOM 1681 CB LEU A 109 5.839 3.239 -8.988 1.00 0.00 C ATOM 1682 CG LEU A 109 4.500 3.308 -8.241 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.694 4.498 -8.758 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.672 2.044 -8.465 1.00 0.00 C ATOM 0 H LEU A 109 7.097 3.452 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 109 6.135 1.223 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.354 4.195 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.652 3.080 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 109 4.716 3.410 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.742 4.550 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.254 5.418 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.510 4.377 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.730 2.125 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.469 1.926 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.226 1.178 -8.103 1.00 0.00 H new ATOM 1696 N SER A 110 8.764 2.752 -9.712 1.00 0.00 N ATOM 1697 CA SER A 110 9.743 2.502 -10.760 1.00 0.00 C ATOM 1698 C SER A 110 10.491 1.178 -10.540 1.00 0.00 C ATOM 1699 O SER A 110 10.703 0.439 -11.501 1.00 0.00 O ATOM 1700 CB SER A 110 10.712 3.676 -10.878 1.00 0.00 C ATOM 1701 OG SER A 110 11.517 3.771 -9.723 1.00 0.00 O ATOM 0 H SER A 110 8.833 3.658 -9.249 1.00 0.00 H new ATOM 0 HA SER A 110 9.204 2.407 -11.703 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.342 3.548 -11.758 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.155 4.602 -11.017 1.00 0.00 H new ATOM 0 HG SER A 110 12.133 4.527 -9.815 1.00 0.00 H new ATOM 1707 N ASP A 111 10.898 0.856 -9.306 1.00 0.00 N ATOM 1708 CA ASP A 111 11.574 -0.413 -9.061 1.00 0.00 C ATOM 1709 C ASP A 111 10.612 -1.590 -9.217 1.00 0.00 C ATOM 1710 O ASP A 111 10.945 -2.565 -9.883 1.00 0.00 O ATOM 1711 CB ASP A 111 12.224 -0.436 -7.674 1.00 0.00 C ATOM 1712 CG ASP A 111 13.393 0.539 -7.554 1.00 0.00 C ATOM 1713 OD1 ASP A 111 13.983 0.882 -8.603 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.693 0.936 -6.405 1.00 0.00 O ATOM 0 H ASP A 111 10.773 1.445 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 111 12.361 -0.513 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.474 -0.192 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.575 -1.445 -7.458 1.00 0.00 H new ATOM 1719 N ALA A 112 9.423 -1.512 -8.612 1.00 0.00 N ATOM 1720 CA ALA A 112 8.409 -2.556 -8.693 1.00 0.00 C ATOM 1721 C ALA A 112 8.037 -2.892 -10.134 1.00 0.00 C ATOM 1722 O ALA A 112 7.750 -4.051 -10.426 1.00 0.00 O ATOM 1723 CB ALA A 112 7.157 -2.089 -7.957 1.00 0.00 C ATOM 0 H ALA A 112 9.139 -0.712 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 112 8.823 -3.456 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.392 -2.864 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.401 -1.893 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.782 -1.176 -8.420 1.00 0.00 H new ATOM 1729 N ILE A 113 8.027 -1.922 -11.054 1.00 0.00 N ATOM 1730 CA ILE A 113 7.760 -2.254 -12.450 1.00 0.00 C ATOM 1731 C ILE A 113 9.006 -2.767 -13.165 1.00 0.00 C ATOM 1732 O ILE A 113 8.915 -3.701 -13.959 1.00 0.00 O ATOM 1733 CB ILE A 113 7.159 -1.083 -13.239 1.00 0.00 C ATOM 1734 CG1 ILE A 113 6.630 0.026 -12.332 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.097 -1.670 -14.164 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.445 0.822 -12.850 1.00 0.00 C ATOM 0 H ILE A 113 8.195 -0.934 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 113 7.018 -3.052 -12.418 1.00 0.00 H new ATOM 0 HB ILE A 113 7.927 -0.585 -13.831 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.350 -0.419 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.446 0.721 -12.132 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.640 -0.870 -14.747 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.560 -2.392 -14.837 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.331 -2.168 -13.569 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.165 1.577 -12.116 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.716 1.309 -13.787 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.603 0.151 -13.020 1.00 0.00 H new ATOM 1748 N ALA A 114 10.170 -2.171 -12.894 1.00 0.00 N ATOM 1749 CA ALA A 114 11.388 -2.583 -13.569 1.00 0.00 C ATOM 1750 C ALA A 114 11.832 -3.975 -13.116 1.00 0.00 C ATOM 1751 O ALA A 114 12.513 -4.685 -13.856 1.00 0.00 O ATOM 1752 CB ALA A 114 12.482 -1.548 -13.311 1.00 0.00 C ATOM 0 H ALA A 114 10.288 -1.413 -12.221 1.00 0.00 H new ATOM 0 HA ALA A 114 11.195 -2.642 -14.640 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.398 -1.854 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.163 -0.578 -13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.666 -1.473 -12.239 1.00 0.00 H new ATOM 1758 N LYS A 115 11.446 -4.362 -11.896 1.00 0.00 N ATOM 1759 CA LYS A 115 11.760 -5.670 -11.336 1.00 0.00 C ATOM 1760 C LYS A 115 10.773 -6.728 -11.842 1.00 0.00 C ATOM 1761 O LYS A 115 11.046 -7.923 -11.748 1.00 0.00 O ATOM 1762 CB LYS A 115 11.761 -5.541 -9.806 1.00 0.00 C ATOM 1763 CG LYS A 115 10.351 -5.409 -9.233 1.00 0.00 C ATOM 1764 CD LYS A 115 9.706 -6.747 -8.870 1.00 0.00 C ATOM 1765 CE LYS A 115 8.217 -6.545 -8.602 1.00 0.00 C ATOM 1766 NZ LYS A 115 7.567 -7.808 -8.210 1.00 0.00 N ATOM 0 H LYS A 115 10.903 -3.768 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 115 12.746 -6.005 -11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.247 -6.414 -9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.351 -4.671 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.388 -4.780 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.720 -4.897 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.846 -7.461 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.190 -7.168 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.085 -5.805 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.735 -6.148 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.545 -7.744 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.970 -8.592 -8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.727 -7.981 -7.197 1.00 0.00 H new ATOM 1780 N SER A 116 9.629 -6.285 -12.375 1.00 0.00 N ATOM 1781 CA SER A 116 8.539 -7.157 -12.794 1.00 0.00 C ATOM 1782 C SER A 116 8.748 -7.789 -14.167 1.00 0.00 C ATOM 1783 O SER A 116 9.543 -7.321 -14.978 1.00 0.00 O ATOM 1784 CB SER A 116 7.235 -6.361 -12.824 1.00 0.00 C ATOM 1785 OG SER A 116 6.740 -6.192 -11.515 1.00 0.00 O ATOM 0 H SER A 116 9.437 -5.295 -12.527 1.00 0.00 H new ATOM 0 HA SER A 116 8.503 -7.968 -12.067 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.404 -5.388 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.497 -6.880 -13.436 1.00 0.00 H new ATOM 0 HG SER A 116 6.801 -5.247 -11.262 1.00 0.00 H new ATOM 1791 N ASN A 117 7.999 -8.871 -14.402 1.00 0.00 N ATOM 1792 CA ASN A 117 7.874 -9.521 -15.698 1.00 0.00 C ATOM 1793 C ASN A 117 6.604 -8.986 -16.370 1.00 0.00 C ATOM 1794 O ASN A 117 5.922 -8.141 -15.794 1.00 0.00 O ATOM 1795 CB ASN A 117 7.833 -11.039 -15.477 1.00 0.00 C ATOM 1796 CG ASN A 117 7.998 -11.842 -16.763 1.00 0.00 C ATOM 1797 OD1 ASN A 117 8.307 -11.299 -17.819 1.00 0.00 O ATOM 1798 ND2 ASN A 117 7.791 -13.152 -16.679 1.00 0.00 N ATOM 0 H ASN A 117 7.451 -9.326 -13.672 1.00 0.00 H new ATOM 0 HA ASN A 117 8.719 -9.308 -16.353 1.00 0.00 H new ATOM 0 HB2 ASN A 117 8.622 -11.319 -14.779 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.885 -11.305 -15.010 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.888 -13.738 -17.508 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.535 -13.572 -15.785 1.00 0.00 H new ATOM 1805 N GLN A 118 6.266 -9.451 -17.573 1.00 0.00 N ATOM 1806 CA GLN A 118 5.101 -8.949 -18.293 1.00 0.00 C ATOM 1807 C GLN A 118 3.820 -9.071 -17.460 1.00 0.00 C ATOM 1808 O GLN A 118 3.009 -8.148 -17.422 1.00 0.00 O ATOM 1809 CB GLN A 118 4.970 -9.722 -19.610 1.00 0.00 C ATOM 1810 CG GLN A 118 3.801 -9.191 -20.444 1.00 0.00 C ATOM 1811 CD GLN A 118 3.682 -9.932 -21.770 1.00 0.00 C ATOM 1812 OE1 GLN A 118 4.053 -9.411 -22.818 1.00 0.00 O ATOM 1813 NE2 GLN A 118 3.163 -11.159 -21.739 1.00 0.00 N ATOM 0 H GLN A 118 6.785 -10.176 -18.068 1.00 0.00 H new ATOM 0 HA GLN A 118 5.241 -7.887 -18.496 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.896 -9.637 -20.179 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.821 -10.781 -19.401 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.873 -9.297 -19.882 1.00 0.00 H new ATOM 0 HG3 GLN A 118 3.940 -8.126 -20.632 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.864 -11.564 -20.852 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.065 -11.693 -22.602 1.00 0.00 H new ATOM 1822 N ASP A 119 3.619 -10.205 -16.787 1.00 0.00 N ATOM 1823 CA ASP A 119 2.416 -10.399 -15.995 1.00 0.00 C ATOM 1824 C ASP A 119 2.408 -9.481 -14.777 1.00 0.00 C ATOM 1825 O ASP A 119 1.379 -8.906 -14.429 1.00 0.00 O ATOM 1826 CB ASP A 119 2.324 -11.864 -15.567 1.00 0.00 C ATOM 1827 CG ASP A 119 2.255 -12.792 -16.777 1.00 0.00 C ATOM 1828 OD1 ASP A 119 1.133 -12.977 -17.298 1.00 0.00 O ATOM 1829 OD2 ASP A 119 3.328 -13.308 -17.167 1.00 0.00 O ATOM 0 H ASP A 119 4.269 -10.991 -16.777 1.00 0.00 H new ATOM 0 HA ASP A 119 1.548 -10.145 -16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.190 -12.122 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.441 -12.008 -14.944 1.00 0.00 H new ATOM 1834 N HIS A 120 3.560 -9.336 -14.119 1.00 0.00 N ATOM 1835 CA HIS A 120 3.646 -8.526 -12.917 1.00 0.00 C ATOM 1836 C HIS A 120 3.547 -7.039 -13.246 1.00 0.00 C ATOM 1837 O HIS A 120 2.920 -6.294 -12.493 1.00 0.00 O ATOM 1838 CB HIS A 120 4.932 -8.872 -12.170 1.00 0.00 C ATOM 1839 CG HIS A 120 5.012 -10.323 -11.782 1.00 0.00 C ATOM 1840 ND1 HIS A 120 5.924 -11.242 -12.303 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.215 -10.949 -10.867 1.00 0.00 C ATOM 1842 CE1 HIS A 120 5.650 -12.403 -11.688 1.00 0.00 C ATOM 1843 NE2 HIS A 120 4.631 -12.257 -10.822 1.00 0.00 N ATOM 0 H HIS A 120 4.439 -9.769 -14.402 1.00 0.00 H new ATOM 0 HA HIS A 120 2.801 -8.749 -12.265 1.00 0.00 H new ATOM 0 HB2 HIS A 120 5.788 -8.621 -12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.002 -8.257 -11.273 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.416 -10.504 -10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 120 6.176 -13.329 -11.865 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.236 -12.991 -10.234 1.00 0.00 H new ATOM 1851 N LYS A 121 4.147 -6.584 -14.354 1.00 0.00 N ATOM 1852 CA LYS A 121 4.024 -5.188 -14.736 1.00 0.00 C ATOM 1853 C LYS A 121 2.577 -4.910 -15.111 1.00 0.00 C ATOM 1854 O LYS A 121 2.073 -3.821 -14.853 1.00 0.00 O ATOM 1855 CB LYS A 121 5.012 -4.825 -15.857 1.00 0.00 C ATOM 1856 CG LYS A 121 4.523 -5.191 -17.261 1.00 0.00 C ATOM 1857 CD LYS A 121 3.624 -4.098 -17.865 1.00 0.00 C ATOM 1858 CE LYS A 121 2.715 -4.664 -18.957 1.00 0.00 C ATOM 1859 NZ LYS A 121 3.498 -5.133 -20.115 1.00 0.00 N ATOM 0 H LYS A 121 4.709 -7.156 -14.984 1.00 0.00 H new ATOM 0 HA LYS A 121 4.289 -4.548 -13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.210 -3.754 -15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.959 -5.331 -15.670 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.382 -5.354 -17.912 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.972 -6.130 -17.219 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.016 -3.650 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.244 -3.304 -18.281 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.128 -5.489 -18.553 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.009 -3.898 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.852 -5.449 -20.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.090 -4.356 -20.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.105 -5.926 -19.825 1.00 0.00 H new ATOM 1873 N GLU A 122 1.902 -5.890 -15.719 1.00 0.00 N ATOM 1874 CA GLU A 122 0.505 -5.734 -16.079 1.00 0.00 C ATOM 1875 C GLU A 122 -0.345 -5.547 -14.823 1.00 0.00 C ATOM 1876 O GLU A 122 -1.240 -4.704 -14.806 1.00 0.00 O ATOM 1877 CB GLU A 122 0.045 -6.946 -16.889 1.00 0.00 C ATOM 1878 CG GLU A 122 -1.385 -6.701 -17.358 1.00 0.00 C ATOM 1879 CD GLU A 122 -1.889 -7.879 -18.191 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -1.689 -7.846 -19.428 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -2.475 -8.804 -17.584 1.00 0.00 O ATOM 0 H GLU A 122 2.305 -6.793 -15.968 1.00 0.00 H new ATOM 0 HA GLU A 122 0.384 -4.844 -16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.703 -7.102 -17.744 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.094 -7.849 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.036 -6.554 -16.496 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.428 -5.786 -17.949 1.00 0.00 H new ATOM 1888 N LYS A 123 -0.072 -6.325 -13.772 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.773 -6.159 -12.505 1.00 0.00 C ATOM 1890 C LYS A 123 -0.515 -4.767 -11.927 1.00 0.00 C ATOM 1891 O LYS A 123 -1.437 -4.120 -11.431 1.00 0.00 O ATOM 1892 CB LYS A 123 -0.334 -7.241 -11.511 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.830 -8.622 -11.947 1.00 0.00 C ATOM 1894 CD LYS A 123 -0.217 -9.730 -11.087 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.643 -9.625 -9.619 1.00 0.00 C ATOM 1896 NZ LYS A 123 -2.088 -9.871 -9.457 1.00 0.00 N ATOM 0 H LYS A 123 0.625 -7.070 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.843 -6.263 -12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.753 -7.249 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.722 -7.008 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.917 -8.660 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.576 -8.788 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.515 -10.701 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 123 0.870 -9.680 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.081 -10.345 -9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.396 -8.634 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.533 -9.045 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.519 -10.032 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.232 -10.710 -8.859 1.00 0.00 H new ATOM 1910 N ILE A 124 0.734 -4.295 -11.986 1.00 0.00 N ATOM 1911 CA ILE A 124 1.062 -2.965 -11.486 1.00 0.00 C ATOM 1912 C ILE A 124 0.370 -1.903 -12.341 1.00 0.00 C ATOM 1913 O ILE A 124 -0.089 -0.889 -11.818 1.00 0.00 O ATOM 1914 CB ILE A 124 2.585 -2.797 -11.467 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.172 -3.760 -10.430 1.00 0.00 C ATOM 1916 CG2 ILE A 124 2.971 -1.360 -11.106 1.00 0.00 C ATOM 1917 CD1 ILE A 124 4.699 -3.783 -10.485 1.00 0.00 C ATOM 0 H ILE A 124 1.525 -4.811 -12.372 1.00 0.00 H new ATOM 0 HA ILE A 124 0.699 -2.841 -10.466 1.00 0.00 H new ATOM 0 HB ILE A 124 2.980 -3.018 -12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.848 -3.463 -9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.786 -4.764 -10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.057 -1.266 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.552 -0.675 -11.843 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.579 -1.115 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.080 -4.477 -9.736 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.023 -4.105 -11.475 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.085 -2.784 -10.284 1.00 0.00 H new ATOM 1929 N ARG A 125 0.290 -2.125 -13.658 1.00 0.00 N ATOM 1930 CA ARG A 125 -0.416 -1.222 -14.555 1.00 0.00 C ATOM 1931 C ARG A 125 -1.899 -1.186 -14.203 1.00 0.00 C ATOM 1932 O ARG A 125 -2.536 -0.146 -14.352 1.00 0.00 O ATOM 1933 CB ARG A 125 -0.203 -1.681 -15.999 1.00 0.00 C ATOM 1934 CG ARG A 125 -0.793 -0.674 -16.989 1.00 0.00 C ATOM 1935 CD ARG A 125 -0.529 -1.146 -18.416 1.00 0.00 C ATOM 1936 NE ARG A 125 -1.097 -0.214 -19.399 1.00 0.00 N ATOM 1937 CZ ARG A 125 -0.545 0.062 -20.585 1.00 0.00 C ATOM 1938 NH1 ARG A 125 0.608 -0.488 -20.956 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -1.155 0.903 -21.417 1.00 0.00 N ATOM 0 H ARG A 125 0.711 -2.930 -14.122 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.023 -0.211 -14.446 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.863 -1.804 -16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.668 -2.656 -16.146 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.865 -0.570 -16.822 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.349 0.309 -16.832 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.545 -1.239 -18.578 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.960 -2.137 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.971 0.254 -19.161 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.089 -1.135 -20.331 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.011 -0.263 -21.866 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.040 1.334 -21.149 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.738 1.117 -22.323 1.00 0.00 H new ATOM 1953 N MET A 126 -2.455 -2.309 -13.735 1.00 0.00 N ATOM 1954 CA MET A 126 -3.840 -2.346 -13.293 1.00 0.00 C ATOM 1955 C MET A 126 -4.008 -1.510 -12.024 1.00 0.00 C ATOM 1956 O MET A 126 -4.994 -0.787 -11.900 1.00 0.00 O ATOM 1957 CB MET A 126 -4.271 -3.796 -13.062 1.00 0.00 C ATOM 1958 CG MET A 126 -5.756 -3.853 -12.701 1.00 0.00 C ATOM 1959 SD MET A 126 -6.374 -5.523 -12.365 1.00 0.00 S ATOM 1960 CE MET A 126 -5.451 -5.889 -10.848 1.00 0.00 C ATOM 0 H MET A 126 -1.963 -3.199 -13.655 1.00 0.00 H new ATOM 0 HA MET A 126 -4.479 -1.918 -14.065 1.00 0.00 H new ATOM 0 HB2 MET A 126 -4.084 -4.386 -13.959 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.677 -4.237 -12.261 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.929 -3.230 -11.824 1.00 0.00 H new ATOM 0 HG3 MET A 126 -6.334 -3.421 -13.518 1.00 0.00 H new ATOM 0 HE1 MET A 126 -5.904 -6.743 -10.344 1.00 0.00 H new ATOM 0 HE2 MET A 126 -4.416 -6.123 -11.099 1.00 0.00 H new ATOM 0 HE3 MET A 126 -5.477 -5.022 -10.188 1.00 0.00 H new ATOM 1970 N LEU A 127 -3.061 -1.593 -11.082 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.127 -0.758 -9.891 1.00 0.00 C ATOM 1972 C LEU A 127 -3.135 0.715 -10.281 1.00 0.00 C ATOM 1973 O LEU A 127 -3.933 1.492 -9.759 1.00 0.00 O ATOM 1974 CB LEU A 127 -1.932 -1.037 -8.967 1.00 0.00 C ATOM 1975 CG LEU A 127 -1.901 -2.459 -8.403 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -0.669 -2.602 -7.515 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -3.149 -2.752 -7.567 1.00 0.00 C ATOM 0 H LEU A 127 -2.257 -2.219 -11.124 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.048 -0.996 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.009 -0.855 -9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.953 -0.329 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.870 -3.164 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.632 -3.611 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.228 -2.417 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.722 -1.880 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.097 -3.770 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.203 -2.050 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.037 -2.645 -8.190 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.250 1.108 -11.202 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.159 2.493 -11.639 1.00 0.00 C ATOM 1991 C LEU A 128 -3.407 2.922 -12.411 1.00 0.00 C ATOM 1992 O LEU A 128 -3.829 4.073 -12.300 1.00 0.00 O ATOM 1993 CB LEU A 128 -0.907 2.675 -12.502 1.00 0.00 C ATOM 1994 CG LEU A 128 0.382 2.423 -11.712 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.568 2.507 -12.671 1.00 0.00 C ATOM 1996 CD2 LEU A 128 0.568 3.463 -10.608 1.00 0.00 C ATOM 0 H LEU A 128 -1.587 0.480 -11.657 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.089 3.128 -10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.950 1.992 -13.351 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.891 3.687 -12.907 1.00 0.00 H new ATOM 0 HG LEU A 128 0.319 1.437 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.493 2.330 -12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.459 1.754 -13.451 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.600 3.498 -13.125 1.00 0.00 H new ATOM 0 HD21 LEU A 128 1.491 3.257 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.621 4.458 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.275 3.417 -9.919 1.00 0.00 H new ATOM 2008 N ASP A 129 -4.004 2.017 -13.190 1.00 0.00 N ATOM 2009 CA ASP A 129 -5.218 2.333 -13.931 1.00 0.00 C ATOM 2010 C ASP A 129 -6.374 2.591 -12.964 1.00 0.00 C ATOM 2011 O ASP A 129 -7.204 3.466 -13.207 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.545 1.180 -14.882 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.788 1.489 -15.710 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -6.672 2.330 -16.630 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.844 0.883 -15.419 1.00 0.00 O ATOM 0 H ASP A 129 -3.665 1.064 -13.321 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.064 3.239 -14.518 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.698 0.999 -15.544 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.703 0.266 -14.310 1.00 0.00 H new ATOM 2512 N PRO B 160 -6.972 -15.269 2.317 1.00 0.00 N ATOM 2513 CA PRO B 160 -7.917 -15.197 1.212 1.00 0.00 C ATOM 2514 C PRO B 160 -7.366 -14.308 0.098 1.00 0.00 C ATOM 2515 O PRO B 160 -6.255 -13.789 0.201 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.164 -14.552 1.823 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.567 -13.599 2.859 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.407 -14.419 3.408 1.00 0.00 C ATOM 0 HA PRO B 160 -8.117 -16.174 0.772 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -9.754 -14.022 1.076 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -9.820 -15.291 2.282 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.230 -12.665 2.409 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.286 -13.337 3.635 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -6.597 -13.773 3.747 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -7.720 -15.014 4.266 1.00 0.00 H new ATOM 2526 N SER B 161 -8.146 -14.132 -0.972 1.00 0.00 N ATOM 2527 CA SER B 161 -7.772 -13.259 -2.076 1.00 0.00 C ATOM 2528 C SER B 161 -7.975 -11.791 -1.703 1.00 0.00 C ATOM 2529 O SER B 161 -8.668 -11.476 -0.735 1.00 0.00 O ATOM 2530 CB SER B 161 -8.586 -13.619 -3.320 1.00 0.00 C ATOM 2531 OG SER B 161 -8.395 -14.983 -3.635 1.00 0.00 O ATOM 0 H SER B 161 -9.049 -14.590 -1.093 1.00 0.00 H new ATOM 0 HA SER B 161 -6.714 -13.403 -2.293 1.00 0.00 H new ATOM 0 HB2 SER B 161 -9.643 -13.421 -3.145 1.00 0.00 H new ATOM 0 HB3 SER B 161 -8.280 -12.995 -4.160 1.00 0.00 H new ATOM 0 HG SER B 161 -8.919 -15.211 -4.431 1.00 0.00 H new ATOM 2537 N TYR B 162 -7.367 -10.888 -2.478 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.471 -9.455 -2.259 1.00 0.00 C ATOM 2539 C TYR B 162 -7.522 -8.717 -3.595 1.00 0.00 C ATOM 2540 O TYR B 162 -6.783 -9.052 -4.523 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.267 -8.969 -1.454 1.00 0.00 C ATOM 2542 CG TYR B 162 -6.151 -7.462 -1.476 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.583 -6.832 -2.594 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -6.610 -6.695 -0.395 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -5.520 -5.435 -2.664 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -6.544 -5.297 -0.455 1.00 0.00 C ATOM 2547 CZ TYR B 162 -6.021 -4.661 -1.600 1.00 0.00 C ATOM 2548 OH TYR B 162 -6.005 -3.304 -1.681 1.00 0.00 O ATOM 0 H TYR B 162 -6.787 -11.139 -3.278 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.388 -9.250 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -6.356 -9.312 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.356 -9.410 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -5.192 -7.428 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -7.013 -7.181 0.481 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -5.089 -4.954 -3.530 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -6.894 -4.705 0.377 1.00 0.00 H new ATOM 0 HH TYR B 162 -5.606 -3.032 -2.534 1.00 0.00 H new ATOM 2558 N SER B 163 -8.394 -7.709 -3.684 1.00 0.00 N ATOM 2559 CA SER B 163 -8.531 -6.884 -4.873 1.00 0.00 C ATOM 2560 C SER B 163 -8.361 -5.401 -4.547 1.00 0.00 C ATOM 2561 O SER B 163 -8.808 -4.931 -3.499 1.00 0.00 O ATOM 2562 CB SER B 163 -9.896 -7.118 -5.513 1.00 0.00 C ATOM 2563 OG SER B 163 -10.054 -6.241 -6.609 1.00 0.00 O ATOM 0 H SER B 163 -9.025 -7.446 -2.926 1.00 0.00 H new ATOM 0 HA SER B 163 -7.744 -7.169 -5.571 1.00 0.00 H new ATOM 0 HB2 SER B 163 -9.982 -8.153 -5.845 1.00 0.00 H new ATOM 0 HB3 SER B 163 -10.687 -6.951 -4.782 1.00 0.00 H new ATOM 0 HG SER B 163 -10.915 -5.779 -6.537 1.00 0.00 H new ATOM 2569 N PRO B 164 -7.715 -4.645 -5.441 1.00 0.00 N ATOM 2570 CA PRO B 164 -7.554 -3.210 -5.305 1.00 0.00 C ATOM 2571 C PRO B 164 -8.893 -2.482 -5.421 1.00 0.00 C ATOM 2572 O PRO B 164 -8.951 -1.271 -5.219 1.00 0.00 O ATOM 2573 CB PRO B 164 -6.606 -2.805 -6.433 1.00 0.00 C ATOM 2574 CG PRO B 164 -6.866 -3.865 -7.499 1.00 0.00 C ATOM 2575 CD PRO B 164 -7.091 -5.115 -6.662 1.00 0.00 C ATOM 0 HA PRO B 164 -7.158 -2.942 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.822 -1.802 -6.801 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.566 -2.808 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -7.735 -3.623 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -6.020 -3.976 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -7.731 -5.828 -7.182 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -6.150 -5.624 -6.453 1.00 0.00 H new ATOM 2583 N THR B 165 -9.971 -3.206 -5.743 1.00 0.00 N ATOM 2584 CA THR B 165 -11.300 -2.627 -5.874 1.00 0.00 C ATOM 2585 C THR B 165 -12.117 -2.797 -4.595 1.00 0.00 C ATOM 2586 O THR B 165 -13.345 -2.808 -4.654 1.00 0.00 O ATOM 2587 CB THR B 165 -12.032 -3.204 -7.093 1.00 0.00 C ATOM 2588 OG1 THR B 165 -12.233 -4.592 -6.936 1.00 0.00 O ATOM 2589 CG2 THR B 165 -11.227 -2.967 -8.369 1.00 0.00 C ATOM 0 H THR B 165 -9.940 -4.210 -5.919 1.00 0.00 H new ATOM 0 HA THR B 165 -11.180 -1.556 -6.035 1.00 0.00 H new ATOM 0 HB THR B 165 -12.995 -2.699 -7.171 1.00 0.00 H new ATOM 0 HG1 THR B 165 -12.702 -4.945 -7.720 1.00 0.00 H new ATOM 0 HG21 THR B 165 -11.764 -3.384 -9.221 1.00 0.00 H new ATOM 0 HG22 THR B 165 -11.087 -1.896 -8.517 1.00 0.00 H new ATOM 0 HG23 THR B 165 -10.255 -3.451 -8.281 1.00 0.00 H new