USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= 0.193 K(o=-0.59,f=-2.5!) USER MOD Set 1.2: A 22 HIS : no HD1:sc= -0.779 K(o=-0.59,f=-3.4) USER MOD Set 1.3: A 45 MET CE :methyl -133:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 MET CE :methyl 143:sc= -4.14 (180deg=-8.23!) USER MOD Set 2.2: A 40 HIS : no HD1:sc= -1.37 K(o=-5.5,f=-8.2) USER MOD Single : A 3 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.37) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= -1.27 (180deg=-1.34) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= -0.213 (180deg=-0.984) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 50 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 52:sc= 0.387 USER MOD Single : A 67 THR OG1 : rot -111:sc= 0.59 USER MOD Single : A 70 ASN : amide:sc= 1.06 K(o=1.1,f=-4.6!) USER MOD Single : A 72 THR OG1 : rot 74:sc= 0.251 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 149:sc= 0.00728 USER MOD Single : A 91 SER OG : rot -98:sc= 0.722 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.317 9.237 5.013 1.00 0.00 N ATOM 21 CA VAL A 2 -8.907 9.576 4.809 1.00 0.00 C ATOM 22 C VAL A 2 -8.483 9.328 3.364 1.00 0.00 C ATOM 23 O VAL A 2 -8.602 8.212 2.857 1.00 0.00 O ATOM 24 CB VAL A 2 -7.970 8.786 5.754 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.048 9.336 7.170 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.294 7.296 5.734 1.00 0.00 C ATOM 0 HA VAL A 2 -8.814 10.637 5.040 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.949 8.909 5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.382 8.767 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.747 10.384 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.071 9.252 7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.619 6.768 6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.323 7.143 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.171 6.911 4.722 1.00 0.00 H new ATOM 36 N ASN A 3 -7.988 10.376 2.706 1.00 0.00 N ATOM 37 CA ASN A 3 -7.546 10.277 1.317 1.00 0.00 C ATOM 38 C ASN A 3 -6.034 10.067 1.242 1.00 0.00 C ATOM 39 O ASN A 3 -5.257 11.012 1.400 1.00 0.00 O ATOM 40 CB ASN A 3 -7.933 11.541 0.541 1.00 0.00 C ATOM 41 CG ASN A 3 -9.432 11.782 0.516 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.038 12.100 1.539 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.040 11.633 -0.658 1.00 0.00 N ATOM 0 H ASN A 3 -7.883 11.305 3.114 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.041 9.417 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.439 12.403 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.566 11.460 -0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.046 11.783 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.500 11.368 -1.482 1.00 0.00 H new ATOM 50 N VAL A 4 -5.621 8.824 1.005 1.00 0.00 N ATOM 51 CA VAL A 4 -4.201 8.490 0.914 1.00 0.00 C ATOM 52 C VAL A 4 -3.741 8.414 -0.544 1.00 0.00 C ATOM 53 O VAL A 4 -4.341 7.706 -1.355 1.00 0.00 O ATOM 54 CB VAL A 4 -3.897 7.149 1.614 1.00 0.00 C ATOM 55 CG1 VAL A 4 -2.397 6.903 1.681 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.515 7.114 3.007 1.00 0.00 C ATOM 0 H VAL A 4 -6.249 8.031 0.872 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.654 9.287 1.418 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.345 6.349 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.206 5.952 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.988 6.873 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.921 7.708 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.288 6.159 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.104 7.925 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.596 7.232 2.929 1.00 0.00 H new ATOM 66 N LYS A 5 -2.672 9.145 -0.868 1.00 0.00 N ATOM 67 CA LYS A 5 -2.130 9.159 -2.226 1.00 0.00 C ATOM 68 C LYS A 5 -0.961 8.181 -2.362 1.00 0.00 C ATOM 69 O LYS A 5 0.127 8.425 -1.837 1.00 0.00 O ATOM 70 CB LYS A 5 -1.671 10.571 -2.607 1.00 0.00 C ATOM 71 CG LYS A 5 -1.545 10.786 -4.109 1.00 0.00 C ATOM 72 CD LYS A 5 -0.236 11.476 -4.471 1.00 0.00 C ATOM 73 CE LYS A 5 0.966 10.575 -4.222 1.00 0.00 C ATOM 74 NZ LYS A 5 0.964 9.372 -5.103 1.00 0.00 N ATOM 0 H LYS A 5 -2.165 9.735 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.924 8.847 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.378 11.295 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.707 10.770 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.604 9.825 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.383 11.387 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.258 11.770 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.133 12.390 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.882 11.142 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.970 10.259 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.818 8.807 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.120 8.798 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.953 9.671 -6.099 1.00 0.00 H new ATOM 88 N VAL A 6 -1.194 7.079 -3.075 1.00 0.00 N ATOM 89 CA VAL A 6 -0.161 6.064 -3.288 1.00 0.00 C ATOM 90 C VAL A 6 0.228 5.974 -4.764 1.00 0.00 C ATOM 91 O VAL A 6 -0.611 6.166 -5.645 1.00 0.00 O ATOM 92 CB VAL A 6 -0.620 4.671 -2.803 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.847 4.673 -1.298 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.877 4.228 -3.541 1.00 0.00 C ATOM 0 H VAL A 6 -2.089 6.866 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 6 0.705 6.373 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 6 0.171 3.955 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.170 3.682 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.082 4.934 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.616 5.404 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.182 3.245 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.678 4.945 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.672 4.177 -4.610 1.00 0.00 H new ATOM 104 N GLU A 7 1.501 5.680 -5.027 1.00 0.00 N ATOM 105 CA GLU A 7 1.994 5.561 -6.399 1.00 0.00 C ATOM 106 C GLU A 7 2.610 4.183 -6.641 1.00 0.00 C ATOM 107 O GLU A 7 3.443 3.722 -5.863 1.00 0.00 O ATOM 108 CB GLU A 7 3.014 6.663 -6.705 1.00 0.00 C ATOM 109 CG GLU A 7 4.281 6.581 -5.866 1.00 0.00 C ATOM 110 CD GLU A 7 5.284 7.669 -6.200 1.00 0.00 C ATOM 111 OE1 GLU A 7 5.527 7.911 -7.401 1.00 0.00 O ATOM 112 OE2 GLU A 7 5.831 8.278 -5.256 1.00 0.00 O ATOM 0 H GLU A 7 2.208 5.520 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 7 1.145 5.678 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.284 6.611 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.545 7.634 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.017 6.650 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.747 5.607 -6.015 1.00 0.00 H new ATOM 119 N PHE A 8 2.186 3.530 -7.722 1.00 0.00 N ATOM 120 CA PHE A 8 2.688 2.201 -8.065 1.00 0.00 C ATOM 121 C PHE A 8 3.572 2.250 -9.307 1.00 0.00 C ATOM 122 O PHE A 8 3.195 2.827 -10.329 1.00 0.00 O ATOM 123 CB PHE A 8 1.522 1.235 -8.281 1.00 0.00 C ATOM 124 CG PHE A 8 0.736 0.971 -7.028 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.130 -0.020 -6.147 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.390 1.723 -6.729 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.417 -0.261 -4.989 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.107 1.487 -5.572 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.703 0.495 -4.701 1.00 0.00 C ATOM 0 H PHE A 8 1.496 3.900 -8.375 1.00 0.00 H new ATOM 0 HA PHE A 8 3.295 1.843 -7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.856 1.643 -9.041 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.907 0.291 -8.667 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.006 -0.612 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.709 2.501 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.734 -1.039 -4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.983 2.078 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.262 0.310 -3.795 1.00 0.00 H new ATOM 139 N LEU A 9 4.756 1.647 -9.203 1.00 0.00 N ATOM 140 CA LEU A 9 5.710 1.622 -10.311 1.00 0.00 C ATOM 141 C LEU A 9 6.428 0.276 -10.394 1.00 0.00 C ATOM 142 O LEU A 9 6.386 -0.520 -9.455 1.00 0.00 O ATOM 143 CB LEU A 9 6.737 2.747 -10.140 1.00 0.00 C ATOM 144 CG LEU A 9 6.150 4.161 -10.101 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.943 4.615 -8.663 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.052 5.136 -10.845 1.00 0.00 C ATOM 0 H LEU A 9 5.078 1.169 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 9 5.156 1.770 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.291 2.575 -9.217 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.455 2.691 -10.958 1.00 0.00 H new ATOM 0 HG LEU A 9 5.180 4.143 -10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.525 5.622 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.256 3.933 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.899 4.615 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.618 6.135 -10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.037 5.150 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.148 4.822 -11.884 1.00 0.00 H new ATOM 158 N GLY A 10 7.096 0.031 -11.523 1.00 0.00 N ATOM 159 CA GLY A 10 7.825 -1.215 -11.706 1.00 0.00 C ATOM 160 C GLY A 10 7.010 -2.305 -12.391 1.00 0.00 C ATOM 161 O GLY A 10 7.580 -3.247 -12.947 1.00 0.00 O ATOM 0 H GLY A 10 7.145 0.674 -12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.721 -1.019 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.156 -1.578 -10.733 1.00 0.00 H new ATOM 165 N GLY A 11 5.680 -2.188 -12.347 1.00 0.00 N ATOM 166 CA GLY A 11 4.820 -3.186 -12.968 1.00 0.00 C ATOM 167 C GLY A 11 3.508 -3.385 -12.223 1.00 0.00 C ATOM 168 O GLY A 11 2.509 -3.790 -12.818 1.00 0.00 O ATOM 0 H GLY A 11 5.185 -1.421 -11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.607 -2.887 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.352 -4.136 -13.017 1.00 0.00 H new ATOM 172 N LEU A 12 3.509 -3.102 -10.917 1.00 0.00 N ATOM 173 CA LEU A 12 2.311 -3.250 -10.089 1.00 0.00 C ATOM 174 C LEU A 12 1.126 -2.473 -10.666 1.00 0.00 C ATOM 175 O LEU A 12 -0.014 -2.938 -10.613 1.00 0.00 O ATOM 176 CB LEU A 12 2.599 -2.778 -8.666 1.00 0.00 C ATOM 177 CG LEU A 12 3.248 -3.823 -7.758 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.034 -3.149 -6.641 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.189 -4.760 -7.192 1.00 0.00 C ATOM 0 H LEU A 12 4.329 -2.768 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 12 2.043 -4.307 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.250 -1.905 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.663 -2.453 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 12 3.947 -4.414 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.488 -3.909 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.815 -2.523 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.362 -2.532 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.664 -5.499 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.466 -4.185 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.677 -5.267 -8.010 1.00 0.00 H new ATOM 191 N ASP A 13 1.402 -1.290 -11.218 1.00 0.00 N ATOM 192 CA ASP A 13 0.359 -0.450 -11.813 1.00 0.00 C ATOM 193 C ASP A 13 -0.400 -1.202 -12.909 1.00 0.00 C ATOM 194 O ASP A 13 -1.590 -0.964 -13.117 1.00 0.00 O ATOM 195 CB ASP A 13 0.965 0.834 -12.390 1.00 0.00 C ATOM 196 CG ASP A 13 2.074 0.564 -13.390 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.160 0.112 -12.967 1.00 0.00 O ATOM 198 OD2 ASP A 13 1.857 0.804 -14.597 1.00 0.00 O ATOM 0 H ASP A 13 2.340 -0.891 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.345 -0.189 -11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.180 1.415 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.357 1.443 -11.575 1.00 0.00 H new ATOM 203 N ALA A 14 0.289 -2.113 -13.601 1.00 0.00 N ATOM 204 CA ALA A 14 -0.334 -2.898 -14.665 1.00 0.00 C ATOM 205 C ALA A 14 -1.412 -3.819 -14.100 1.00 0.00 C ATOM 206 O ALA A 14 -2.430 -4.067 -14.745 1.00 0.00 O ATOM 207 CB ALA A 14 0.712 -3.711 -15.416 1.00 0.00 C ATOM 0 H ALA A 14 1.275 -2.323 -13.443 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.804 -2.205 -15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.228 -4.288 -16.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.447 -3.038 -15.858 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.211 -4.389 -14.724 1.00 0.00 H new ATOM 213 N ILE A 15 -1.177 -4.323 -12.888 1.00 0.00 N ATOM 214 CA ILE A 15 -2.124 -5.215 -12.228 1.00 0.00 C ATOM 215 C ILE A 15 -3.268 -4.430 -11.580 1.00 0.00 C ATOM 216 O ILE A 15 -4.409 -4.893 -11.552 1.00 0.00 O ATOM 217 CB ILE A 15 -1.427 -6.078 -11.152 1.00 0.00 C ATOM 218 CG1 ILE A 15 -0.162 -6.731 -11.719 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.379 -7.136 -10.621 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.780 -7.261 -10.657 1.00 0.00 C ATOM 0 H ILE A 15 -0.336 -4.127 -12.345 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.532 -5.869 -12.999 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.137 -5.428 -10.326 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.451 -7.550 -12.377 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.369 -6.002 -12.332 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.872 -7.735 -9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.250 -6.653 -10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.699 -7.781 -11.439 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.652 -7.708 -11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.100 -6.442 -10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.267 -8.014 -10.059 1.00 0.00 H new ATOM 232 N PHE A 16 -2.957 -3.243 -11.057 1.00 0.00 N ATOM 233 CA PHE A 16 -3.962 -2.403 -10.408 1.00 0.00 C ATOM 234 C PHE A 16 -4.989 -1.886 -11.417 1.00 0.00 C ATOM 235 O PHE A 16 -6.122 -2.368 -11.461 1.00 0.00 O ATOM 236 CB PHE A 16 -3.291 -1.228 -9.689 1.00 0.00 C ATOM 237 CG PHE A 16 -2.986 -1.503 -8.244 1.00 0.00 C ATOM 238 CD1 PHE A 16 -1.798 -2.115 -7.876 1.00 0.00 C ATOM 239 CD2 PHE A 16 -3.888 -1.150 -7.254 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.516 -2.369 -6.547 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.612 -1.401 -5.924 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.425 -2.011 -5.570 1.00 0.00 C ATOM 0 H PHE A 16 -2.019 -2.843 -11.071 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.487 -3.016 -9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.365 -0.978 -10.206 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.939 -0.354 -9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.085 -2.397 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.818 -0.673 -7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.587 -2.846 -6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.324 -1.120 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.207 -2.208 -4.531 1.00 0.00 H new ATOM 252 N GLY A 17 -4.587 -0.902 -12.223 1.00 0.00 N ATOM 253 CA GLY A 17 -5.485 -0.334 -13.220 1.00 0.00 C ATOM 254 C GLY A 17 -4.778 0.616 -14.173 1.00 0.00 C ATOM 255 O GLY A 17 -5.340 1.639 -14.569 1.00 0.00 O ATOM 0 H GLY A 17 -3.655 -0.488 -12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.944 -1.141 -13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.292 0.198 -12.715 1.00 0.00 H new ATOM 259 N LYS A 18 -3.542 0.272 -14.541 1.00 0.00 N ATOM 260 CA LYS A 18 -2.739 1.087 -15.453 1.00 0.00 C ATOM 261 C LYS A 18 -2.669 2.546 -14.989 1.00 0.00 C ATOM 262 O LYS A 18 -2.622 3.466 -15.810 1.00 0.00 O ATOM 263 CB LYS A 18 -3.305 1.004 -16.876 1.00 0.00 C ATOM 264 CG LYS A 18 -3.016 -0.320 -17.571 1.00 0.00 C ATOM 265 CD LYS A 18 -3.043 -0.180 -19.085 1.00 0.00 C ATOM 266 CE LYS A 18 -1.755 0.433 -19.616 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.906 0.927 -21.014 1.00 0.00 N ATOM 0 H LYS A 18 -3.073 -0.574 -14.217 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.724 0.690 -15.451 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.384 1.157 -16.839 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.888 1.816 -17.472 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.040 -0.690 -17.257 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.752 -1.062 -17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.194 -1.160 -19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.890 0.441 -19.378 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.453 1.258 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.958 -0.309 -19.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.006 1.337 -21.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.169 0.136 -21.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.649 1.654 -21.047 1.00 0.00 H new ATOM 281 N GLN A 19 -2.655 2.753 -13.670 1.00 0.00 N ATOM 282 CA GLN A 19 -2.584 4.097 -13.103 1.00 0.00 C ATOM 283 C GLN A 19 -1.410 4.214 -12.137 1.00 0.00 C ATOM 284 O GLN A 19 -1.323 3.465 -11.163 1.00 0.00 O ATOM 285 CB GLN A 19 -3.889 4.445 -12.379 1.00 0.00 C ATOM 286 CG GLN A 19 -4.913 5.139 -13.263 1.00 0.00 C ATOM 287 CD GLN A 19 -6.330 5.021 -12.725 1.00 0.00 C ATOM 288 OE1 GLN A 19 -6.664 4.061 -12.029 1.00 0.00 O ATOM 289 NE2 GLN A 19 -7.172 5.998 -13.046 1.00 0.00 N ATOM 0 H GLN A 19 -2.692 2.006 -12.977 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.435 4.801 -13.922 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.327 3.530 -11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.662 5.087 -11.528 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.651 6.193 -13.357 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.872 4.710 -14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.854 6.775 -13.625 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.136 5.970 -12.713 1.00 0.00 H new ATOM 298 N ARG A 20 -0.514 5.162 -12.411 1.00 0.00 N ATOM 299 CA ARG A 20 0.654 5.386 -11.564 1.00 0.00 C ATOM 300 C ARG A 20 0.229 5.790 -10.152 1.00 0.00 C ATOM 301 O ARG A 20 0.690 5.212 -9.169 1.00 0.00 O ATOM 302 CB ARG A 20 1.555 6.468 -12.171 1.00 0.00 C ATOM 303 CG ARG A 20 3.040 6.162 -12.058 1.00 0.00 C ATOM 304 CD ARG A 20 3.869 7.046 -12.981 1.00 0.00 C ATOM 305 NE ARG A 20 4.785 6.267 -13.814 1.00 0.00 N ATOM 306 CZ ARG A 20 4.418 5.611 -14.920 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.151 5.631 -15.327 1.00 0.00 N ATOM 308 NH2 ARG A 20 5.321 4.934 -15.621 1.00 0.00 N ATOM 0 H ARG A 20 -0.576 5.787 -13.214 1.00 0.00 H new ATOM 0 HA ARG A 20 1.214 4.453 -11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.298 6.594 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.350 7.418 -11.677 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.364 6.307 -11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.215 5.114 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.204 7.626 -13.620 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.439 7.758 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 20 5.765 6.221 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.452 6.149 -14.794 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.879 5.128 -16.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.294 4.915 -15.316 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.041 4.434 -16.465 1.00 0.00 H new ATOM 322 N VAL A 21 -0.657 6.784 -10.062 1.00 0.00 N ATOM 323 CA VAL A 21 -1.148 7.264 -8.771 1.00 0.00 C ATOM 324 C VAL A 21 -2.533 6.693 -8.461 1.00 0.00 C ATOM 325 O VAL A 21 -3.396 6.623 -9.337 1.00 0.00 O ATOM 326 CB VAL A 21 -1.218 8.806 -8.726 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.592 9.289 -7.332 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.102 9.421 -9.169 1.00 0.00 C ATOM 0 H VAL A 21 -1.048 7.271 -10.868 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.438 6.921 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.994 9.129 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.635 10.378 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.566 8.885 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.843 8.950 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.029 10.508 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.900 9.087 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.324 9.110 -10.190 1.00 0.00 H new ATOM 338 N HIS A 22 -2.734 6.292 -7.206 1.00 0.00 N ATOM 339 CA HIS A 22 -4.009 5.730 -6.764 1.00 0.00 C ATOM 340 C HIS A 22 -4.439 6.339 -5.427 1.00 0.00 C ATOM 341 O HIS A 22 -3.605 6.826 -4.659 1.00 0.00 O ATOM 342 CB HIS A 22 -3.900 4.206 -6.637 1.00 0.00 C ATOM 343 CG HIS A 22 -4.509 3.456 -7.785 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.724 2.093 -7.764 1.00 0.00 N ATOM 345 CD2 HIS A 22 -4.949 3.883 -8.995 1.00 0.00 C ATOM 346 CE1 HIS A 22 -5.268 1.716 -8.909 1.00 0.00 C ATOM 347 NE2 HIS A 22 -5.415 2.783 -9.671 1.00 0.00 N ATOM 0 H HIS A 22 -2.026 6.347 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.765 5.972 -7.511 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.848 3.932 -6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.385 3.892 -5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.935 4.900 -9.359 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.545 0.707 -9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.811 2.789 -10.611 1.00 0.00 H new ATOM 356 N LYS A 23 -5.746 6.310 -5.156 1.00 0.00 N ATOM 357 CA LYS A 23 -6.289 6.860 -3.914 1.00 0.00 C ATOM 358 C LYS A 23 -7.070 5.802 -3.132 1.00 0.00 C ATOM 359 O LYS A 23 -7.703 4.923 -3.721 1.00 0.00 O ATOM 360 CB LYS A 23 -7.196 8.057 -4.216 1.00 0.00 C ATOM 361 CG LYS A 23 -6.478 9.399 -4.167 1.00 0.00 C ATOM 362 CD LYS A 23 -7.459 10.554 -4.034 1.00 0.00 C ATOM 363 CE LYS A 23 -6.740 11.893 -3.967 1.00 0.00 C ATOM 364 NZ LYS A 23 -7.668 13.011 -3.630 1.00 0.00 N ATOM 0 H LYS A 23 -6.447 5.911 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.450 7.188 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.637 7.927 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.018 8.068 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.785 9.411 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.884 9.528 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.144 10.550 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.062 10.419 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.948 11.842 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.262 12.096 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.137 13.904 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.410 13.077 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.106 12.832 -2.704 1.00 0.00 H new ATOM 378 N ILE A 24 -7.021 5.897 -1.802 1.00 0.00 N ATOM 379 CA ILE A 24 -7.721 4.954 -0.930 1.00 0.00 C ATOM 380 C ILE A 24 -8.465 5.691 0.186 1.00 0.00 C ATOM 381 O ILE A 24 -8.010 6.734 0.659 1.00 0.00 O ATOM 382 CB ILE A 24 -6.745 3.932 -0.301 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.821 3.336 -1.369 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.513 2.825 0.411 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.552 4.133 -1.589 1.00 0.00 C ATOM 0 H ILE A 24 -6.502 6.620 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.439 4.418 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.132 4.456 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.555 2.319 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.365 3.268 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.809 2.116 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.127 3.258 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.153 2.308 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.948 3.651 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.808 5.143 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.985 4.179 -0.659 1.00 0.00 H new ATOM 397 N LYS A 25 -9.611 5.143 0.600 1.00 0.00 N ATOM 398 CA LYS A 25 -10.423 5.747 1.658 1.00 0.00 C ATOM 399 C LYS A 25 -10.877 4.695 2.675 1.00 0.00 C ATOM 400 O LYS A 25 -11.572 3.740 2.323 1.00 0.00 O ATOM 401 CB LYS A 25 -11.644 6.452 1.052 1.00 0.00 C ATOM 402 CG LYS A 25 -12.436 5.584 0.084 1.00 0.00 C ATOM 403 CD LYS A 25 -13.757 6.229 -0.304 1.00 0.00 C ATOM 404 CE LYS A 25 -14.521 5.367 -1.298 1.00 0.00 C ATOM 405 NZ LYS A 25 -15.446 6.170 -2.147 1.00 0.00 N ATOM 0 H LYS A 25 -9.997 4.280 0.217 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.807 6.481 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.303 6.775 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.312 7.351 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.842 5.405 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.626 4.612 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.364 6.385 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.571 7.211 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.813 4.837 -1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.091 4.611 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.944 5.541 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.139 6.656 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.901 6.875 -2.684 1.00 0.00 H new ATOM 419 N MET A 26 -10.482 4.877 3.938 1.00 0.00 N ATOM 420 CA MET A 26 -10.853 3.944 5.004 1.00 0.00 C ATOM 421 C MET A 26 -11.850 4.582 5.971 1.00 0.00 C ATOM 422 O MET A 26 -11.649 5.709 6.429 1.00 0.00 O ATOM 423 CB MET A 26 -9.608 3.480 5.769 1.00 0.00 C ATOM 424 CG MET A 26 -9.155 2.077 5.399 1.00 0.00 C ATOM 425 SD MET A 26 -10.311 0.806 5.949 1.00 0.00 S ATOM 426 CE MET A 26 -9.244 -0.632 5.991 1.00 0.00 C ATOM 0 H MET A 26 -9.906 5.661 4.246 1.00 0.00 H new ATOM 0 HA MET A 26 -11.328 3.080 4.540 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.793 4.178 5.578 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.814 3.516 6.839 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.036 2.011 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.176 1.887 5.839 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.514 -1.261 6.839 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.361 -1.199 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.207 -0.313 6.092 1.00 0.00 H new ATOM 436 N ASP A 27 -12.925 3.851 6.275 1.00 0.00 N ATOM 437 CA ASP A 27 -13.959 4.336 7.187 1.00 0.00 C ATOM 438 C ASP A 27 -14.156 3.367 8.353 1.00 0.00 C ATOM 439 O ASP A 27 -14.851 2.357 8.227 1.00 0.00 O ATOM 440 CB ASP A 27 -15.278 4.533 6.433 1.00 0.00 C ATOM 441 CG ASP A 27 -15.608 5.996 6.189 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.673 6.825 6.157 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.803 6.313 6.024 1.00 0.00 O ATOM 0 H ASP A 27 -13.101 2.919 5.901 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.636 5.295 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.225 4.014 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.087 4.073 7.001 1.00 0.00 H new ATOM 448 N LYS A 28 -13.534 3.684 9.489 1.00 0.00 N ATOM 449 CA LYS A 28 -13.633 2.844 10.684 1.00 0.00 C ATOM 450 C LYS A 28 -13.379 3.659 11.950 1.00 0.00 C ATOM 451 O LYS A 28 -14.155 3.596 12.906 1.00 0.00 O ATOM 452 CB LYS A 28 -12.644 1.675 10.596 1.00 0.00 C ATOM 453 CG LYS A 28 -12.931 0.546 11.577 1.00 0.00 C ATOM 454 CD LYS A 28 -14.101 -0.315 11.121 1.00 0.00 C ATOM 455 CE LYS A 28 -15.411 0.138 11.750 1.00 0.00 C ATOM 456 NZ LYS A 28 -16.402 0.585 10.729 1.00 0.00 N ATOM 0 H LYS A 28 -12.956 4.516 9.607 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.646 2.446 10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.660 1.275 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.636 2.051 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.042 -0.076 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.149 0.965 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.184 -0.271 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.912 -1.356 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.835 -0.681 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.215 0.954 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.040 1.291 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.902 1.008 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.957 -0.232 10.403 1.00 0.00 H new ATOM 470 N GLU A 29 -12.290 4.424 11.946 1.00 0.00 N ATOM 471 CA GLU A 29 -11.923 5.260 13.089 1.00 0.00 C ATOM 472 C GLU A 29 -10.936 6.351 12.674 1.00 0.00 C ATOM 473 O GLU A 29 -10.603 6.484 11.495 1.00 0.00 O ATOM 474 CB GLU A 29 -11.317 4.402 14.205 1.00 0.00 C ATOM 475 CG GLU A 29 -10.291 3.389 13.711 1.00 0.00 C ATOM 476 CD GLU A 29 -9.293 2.981 14.781 1.00 0.00 C ATOM 477 OE1 GLU A 29 -9.694 2.856 15.956 1.00 0.00 O ATOM 478 OE2 GLU A 29 -8.108 2.785 14.441 1.00 0.00 O ATOM 0 H GLU A 29 -11.643 4.483 11.160 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.829 5.739 13.461 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.845 5.056 14.938 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.119 3.872 14.720 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.810 2.501 13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.753 3.811 12.862 1.00 0.00 H new ATOM 485 N ASP A 30 -10.472 7.135 13.650 1.00 0.00 N ATOM 486 CA ASP A 30 -9.525 8.214 13.380 1.00 0.00 C ATOM 487 C ASP A 30 -8.085 7.695 13.316 1.00 0.00 C ATOM 488 O ASP A 30 -7.413 7.861 12.297 1.00 0.00 O ATOM 489 CB ASP A 30 -9.642 9.311 14.442 1.00 0.00 C ATOM 490 CG ASP A 30 -10.581 10.426 14.022 1.00 0.00 C ATOM 491 OD1 ASP A 30 -10.210 11.205 13.119 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.687 10.517 14.594 1.00 0.00 O ATOM 0 H ASP A 30 -10.737 7.042 14.631 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.776 8.634 12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.997 8.873 15.375 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.654 9.727 14.641 1.00 0.00 H new ATOM 497 N PRO A 31 -7.585 7.062 14.402 1.00 0.00 N ATOM 498 CA PRO A 31 -6.216 6.529 14.446 1.00 0.00 C ATOM 499 C PRO A 31 -6.054 5.245 13.628 1.00 0.00 C ATOM 500 O PRO A 31 -5.628 4.211 14.149 1.00 0.00 O ATOM 501 CB PRO A 31 -6.004 6.251 15.936 1.00 0.00 C ATOM 502 CG PRO A 31 -7.366 5.948 16.455 1.00 0.00 C ATOM 503 CD PRO A 31 -8.310 6.817 15.669 1.00 0.00 C ATOM 0 HA PRO A 31 -5.493 7.221 14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.325 5.413 16.091 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.568 7.112 16.443 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.607 4.893 16.326 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.434 6.162 17.522 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.263 6.318 15.495 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.528 7.748 16.193 1.00 0.00 H new ATOM 511 N VAL A 32 -6.392 5.319 12.341 1.00 0.00 N ATOM 512 CA VAL A 32 -6.282 4.166 11.453 1.00 0.00 C ATOM 513 C VAL A 32 -4.819 3.836 11.166 1.00 0.00 C ATOM 514 O VAL A 32 -4.054 4.698 10.731 1.00 0.00 O ATOM 515 CB VAL A 32 -7.010 4.402 10.112 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.055 3.117 9.301 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.414 4.941 10.344 1.00 0.00 C ATOM 0 H VAL A 32 -6.744 6.165 11.892 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.755 3.330 11.968 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.452 5.149 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.571 3.299 8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.039 2.779 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.587 2.350 9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.906 5.099 9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.987 4.224 10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.356 5.887 10.882 1.00 0.00 H new ATOM 527 N THR A 33 -4.438 2.582 11.408 1.00 0.00 N ATOM 528 CA THR A 33 -3.066 2.134 11.170 1.00 0.00 C ATOM 529 C THR A 33 -2.835 1.869 9.685 1.00 0.00 C ATOM 530 O THR A 33 -3.765 1.522 8.956 1.00 0.00 O ATOM 531 CB THR A 33 -2.763 0.870 11.983 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.841 -0.048 11.915 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.493 1.149 13.448 1.00 0.00 C ATOM 0 H THR A 33 -5.060 1.858 11.769 1.00 0.00 H new ATOM 0 HA THR A 33 -2.391 2.927 11.491 1.00 0.00 H new ATOM 0 HB THR A 33 -1.862 0.453 11.534 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.624 -0.847 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.286 0.212 13.965 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.632 1.812 13.540 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.366 1.624 13.895 1.00 0.00 H new ATOM 541 N VAL A 34 -1.591 2.040 9.245 1.00 0.00 N ATOM 542 CA VAL A 34 -1.234 1.824 7.844 1.00 0.00 C ATOM 543 C VAL A 34 -1.606 0.416 7.377 1.00 0.00 C ATOM 544 O VAL A 34 -1.966 0.218 6.214 1.00 0.00 O ATOM 545 CB VAL A 34 0.265 2.076 7.605 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.118 1.056 8.339 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.585 2.081 6.117 1.00 0.00 C ATOM 0 H VAL A 34 -0.812 2.328 9.838 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.808 2.542 7.258 1.00 0.00 H new ATOM 0 HB VAL A 34 0.504 3.061 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.172 1.260 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.921 1.120 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.873 0.055 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.651 2.261 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.319 1.117 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.015 2.869 5.625 1.00 0.00 H new ATOM 557 N GLY A 35 -1.542 -0.554 8.294 1.00 0.00 N ATOM 558 CA GLY A 35 -1.903 -1.919 7.955 1.00 0.00 C ATOM 559 C GLY A 35 -3.323 -2.009 7.419 1.00 0.00 C ATOM 560 O GLY A 35 -3.640 -2.900 6.630 1.00 0.00 O ATOM 0 H GLY A 35 -1.247 -0.416 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.208 -2.305 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.807 -2.551 8.838 1.00 0.00 H new ATOM 564 N ASP A 36 -4.172 -1.064 7.839 1.00 0.00 N ATOM 565 CA ASP A 36 -5.561 -1.018 7.389 1.00 0.00 C ATOM 566 C ASP A 36 -5.633 -0.573 5.930 1.00 0.00 C ATOM 567 O ASP A 36 -6.395 -1.130 5.139 1.00 0.00 O ATOM 568 CB ASP A 36 -6.384 -0.071 8.275 1.00 0.00 C ATOM 569 CG ASP A 36 -7.671 -0.703 8.781 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.707 -1.942 8.943 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.643 0.044 9.018 1.00 0.00 O ATOM 0 H ASP A 36 -3.918 -0.322 8.491 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.982 -2.020 7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.779 0.240 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.625 0.829 7.710 1.00 0.00 H new ATOM 576 N LEU A 37 -4.817 0.424 5.579 1.00 0.00 N ATOM 577 CA LEU A 37 -4.764 0.938 4.211 1.00 0.00 C ATOM 578 C LEU A 37 -4.514 -0.203 3.229 1.00 0.00 C ATOM 579 O LEU A 37 -5.258 -0.376 2.262 1.00 0.00 O ATOM 580 CB LEU A 37 -3.653 1.992 4.087 1.00 0.00 C ATOM 581 CG LEU A 37 -3.814 3.003 2.944 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.736 2.312 1.591 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.124 3.767 3.083 1.00 0.00 C ATOM 0 H LEU A 37 -4.183 0.892 6.227 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.721 1.403 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.593 2.541 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.702 1.476 3.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.992 3.717 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.853 3.051 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.769 1.820 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.530 1.569 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.219 4.479 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.959 3.066 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.133 4.303 4.032 1.00 0.00 H new ATOM 595 N ILE A 38 -3.468 -0.988 3.494 1.00 0.00 N ATOM 596 CA ILE A 38 -3.127 -2.125 2.641 1.00 0.00 C ATOM 597 C ILE A 38 -4.258 -3.153 2.637 1.00 0.00 C ATOM 598 O ILE A 38 -4.570 -3.741 1.599 1.00 0.00 O ATOM 599 CB ILE A 38 -1.812 -2.810 3.086 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.688 -1.777 3.249 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.404 -3.885 2.084 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.337 -1.049 1.968 1.00 0.00 C ATOM 0 H ILE A 38 -2.845 -0.857 4.291 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.983 -1.734 1.634 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.985 -3.283 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.985 -1.046 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.203 -2.279 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.478 -4.356 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.190 -4.637 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.253 -3.431 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.464 -0.336 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.008 -1.769 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.214 -0.517 1.600 1.00 0.00 H new ATOM 614 N ASP A 39 -4.874 -3.358 3.803 1.00 0.00 N ATOM 615 CA ASP A 39 -5.977 -4.307 3.935 1.00 0.00 C ATOM 616 C ASP A 39 -7.163 -3.892 3.070 1.00 0.00 C ATOM 617 O ASP A 39 -7.743 -4.719 2.369 1.00 0.00 O ATOM 618 CB ASP A 39 -6.417 -4.423 5.397 1.00 0.00 C ATOM 619 CG ASP A 39 -7.165 -5.713 5.672 1.00 0.00 C ATOM 620 OD1 ASP A 39 -8.364 -5.790 5.329 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.551 -6.648 6.227 1.00 0.00 O ATOM 0 H ASP A 39 -4.626 -2.879 4.669 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.621 -5.279 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.541 -4.369 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.053 -3.575 5.651 1.00 0.00 H new ATOM 626 N HIS A 40 -7.520 -2.609 3.124 1.00 0.00 N ATOM 627 CA HIS A 40 -8.641 -2.090 2.342 1.00 0.00 C ATOM 628 C HIS A 40 -8.431 -2.340 0.849 1.00 0.00 C ATOM 629 O HIS A 40 -9.363 -2.729 0.144 1.00 0.00 O ATOM 630 CB HIS A 40 -8.828 -0.592 2.597 1.00 0.00 C ATOM 631 CG HIS A 40 -10.264 -0.166 2.684 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.219 -0.868 3.389 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.903 0.909 2.161 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.381 -0.244 3.296 1.00 0.00 C ATOM 635 NE2 HIS A 40 -12.217 0.838 2.557 1.00 0.00 N ATOM 0 H HIS A 40 -7.050 -1.911 3.700 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.540 -2.619 2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.323 -0.325 3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.341 -0.034 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.461 1.679 1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.308 -0.565 3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.946 1.511 2.319 1.00 0.00 H new ATOM 644 N ILE A 41 -7.203 -2.122 0.377 1.00 0.00 N ATOM 645 CA ILE A 41 -6.876 -2.335 -1.031 1.00 0.00 C ATOM 646 C ILE A 41 -6.991 -3.815 -1.397 1.00 0.00 C ATOM 647 O ILE A 41 -7.333 -4.157 -2.526 1.00 0.00 O ATOM 648 CB ILE A 41 -5.453 -1.838 -1.375 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.252 -0.398 -0.894 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.204 -1.933 -2.875 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.805 -0.045 -0.615 1.00 0.00 C ATOM 0 H ILE A 41 -6.422 -1.799 0.948 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.594 -1.756 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.735 -2.477 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.645 0.285 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.836 -0.242 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.198 -1.579 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.304 -2.970 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.932 -1.318 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.741 0.990 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.413 -0.703 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.219 -0.167 -1.526 1.00 0.00 H new ATOM 663 N VAL A 42 -6.704 -4.689 -0.432 1.00 0.00 N ATOM 664 CA VAL A 42 -6.778 -6.132 -0.653 1.00 0.00 C ATOM 665 C VAL A 42 -8.154 -6.701 -0.270 1.00 0.00 C ATOM 666 O VAL A 42 -8.403 -7.895 -0.438 1.00 0.00 O ATOM 667 CB VAL A 42 -5.680 -6.867 0.148 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.689 -8.361 -0.154 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.311 -6.270 -0.148 1.00 0.00 C ATOM 0 H VAL A 42 -6.418 -4.422 0.510 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.623 -6.296 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.893 -6.736 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.906 -8.854 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.658 -8.781 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.509 -8.518 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.551 -6.801 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.095 -6.365 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.306 -5.216 0.131 1.00 0.00 H new ATOM 679 N SER A 43 -9.042 -5.850 0.250 1.00 0.00 N ATOM 680 CA SER A 43 -10.377 -6.290 0.654 1.00 0.00 C ATOM 681 C SER A 43 -11.392 -6.110 -0.477 1.00 0.00 C ATOM 682 O SER A 43 -11.803 -7.083 -1.109 1.00 0.00 O ATOM 683 CB SER A 43 -10.834 -5.534 1.906 1.00 0.00 C ATOM 684 OG SER A 43 -10.808 -6.377 3.046 1.00 0.00 O ATOM 0 H SER A 43 -8.861 -4.858 0.400 1.00 0.00 H new ATOM 0 HA SER A 43 -10.320 -7.354 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.187 -4.672 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.843 -5.151 1.756 1.00 0.00 H new ATOM 0 HG SER A 43 -11.102 -5.872 3.833 1.00 0.00 H new ATOM 690 N THR A 44 -11.799 -4.864 -0.723 1.00 0.00 N ATOM 691 CA THR A 44 -12.774 -4.569 -1.776 1.00 0.00 C ATOM 692 C THR A 44 -12.081 -4.159 -3.075 1.00 0.00 C ATOM 693 O THR A 44 -12.476 -4.591 -4.159 1.00 0.00 O ATOM 694 CB THR A 44 -13.733 -3.463 -1.324 1.00 0.00 C ATOM 695 OG1 THR A 44 -14.130 -3.656 0.024 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.989 -3.378 -2.166 1.00 0.00 C ATOM 0 H THR A 44 -11.471 -4.045 -0.210 1.00 0.00 H new ATOM 0 HA THR A 44 -13.343 -5.479 -1.965 1.00 0.00 H new ATOM 0 HB THR A 44 -13.174 -2.535 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.740 -2.937 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.624 -2.575 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.719 -3.175 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.529 -4.323 -2.110 1.00 0.00 H new ATOM 704 N MET A 45 -11.050 -3.323 -2.958 1.00 0.00 N ATOM 705 CA MET A 45 -10.299 -2.852 -4.121 1.00 0.00 C ATOM 706 C MET A 45 -9.753 -4.026 -4.940 1.00 0.00 C ATOM 707 O MET A 45 -9.814 -4.015 -6.170 1.00 0.00 O ATOM 708 CB MET A 45 -9.150 -1.940 -3.675 1.00 0.00 C ATOM 709 CG MET A 45 -9.031 -0.659 -4.484 1.00 0.00 C ATOM 710 SD MET A 45 -7.753 -0.758 -5.751 1.00 0.00 S ATOM 711 CE MET A 45 -7.498 0.977 -6.113 1.00 0.00 C ATOM 0 H MET A 45 -10.715 -2.957 -2.067 1.00 0.00 H new ATOM 0 HA MET A 45 -10.980 -2.284 -4.755 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.290 -1.683 -2.625 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.213 -2.492 -3.746 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.989 -0.441 -4.956 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.809 0.171 -3.813 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.489 1.126 -7.193 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.305 1.563 -5.672 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.545 1.300 -5.695 1.00 0.00 H new ATOM 721 N ILE A 46 -9.223 -5.037 -4.248 1.00 0.00 N ATOM 722 CA ILE A 46 -8.671 -6.221 -4.904 1.00 0.00 C ATOM 723 C ILE A 46 -9.202 -7.495 -4.253 1.00 0.00 C ATOM 724 O ILE A 46 -9.182 -7.629 -3.030 1.00 0.00 O ATOM 725 CB ILE A 46 -7.127 -6.240 -4.846 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.546 -4.910 -5.329 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.577 -7.389 -5.679 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.083 -4.732 -4.985 1.00 0.00 C ATOM 0 H ILE A 46 -9.165 -5.058 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.984 -6.179 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.829 -6.386 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.668 -4.840 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.117 -4.092 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.488 -7.388 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.958 -8.334 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.891 -7.269 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.736 -3.768 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.956 -4.770 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.501 -5.530 -5.447 1.00 0.00 H new ATOM 740 N ASN A 47 -9.673 -8.433 -5.075 1.00 0.00 N ATOM 741 CA ASN A 47 -10.204 -9.697 -4.569 1.00 0.00 C ATOM 742 C ASN A 47 -10.265 -10.745 -5.679 1.00 0.00 C ATOM 743 O ASN A 47 -11.338 -11.056 -6.201 1.00 0.00 O ATOM 744 CB ASN A 47 -11.595 -9.486 -3.961 1.00 0.00 C ATOM 745 CG ASN A 47 -11.877 -10.429 -2.805 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.042 -11.259 -2.443 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.062 -10.306 -2.217 1.00 0.00 N ATOM 0 H ASN A 47 -9.697 -8.341 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.532 -10.061 -3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.684 -8.456 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.350 -9.629 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.309 -10.912 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.725 -9.605 -2.548 1.00 0.00 H new ATOM 754 N ASN A 48 -9.102 -11.283 -6.039 1.00 0.00 N ATOM 755 CA ASN A 48 -9.014 -12.293 -7.089 1.00 0.00 C ATOM 756 C ASN A 48 -7.690 -13.045 -7.001 1.00 0.00 C ATOM 757 O ASN A 48 -6.625 -12.435 -7.085 1.00 0.00 O ATOM 758 CB ASN A 48 -9.141 -11.636 -8.467 1.00 0.00 C ATOM 759 CG ASN A 48 -10.086 -12.388 -9.384 1.00 0.00 C ATOM 760 OD1 ASN A 48 -9.956 -13.599 -9.570 1.00 0.00 O ATOM 761 ND2 ASN A 48 -11.044 -11.674 -9.966 1.00 0.00 N ATOM 0 H ASN A 48 -8.207 -11.035 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.831 -13.001 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.495 -10.612 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.157 -11.580 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.707 -12.127 -10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.116 -10.673 -9.784 1.00 0.00 H new ATOM 768 N PRO A 49 -7.730 -14.382 -6.827 1.00 0.00 N ATOM 769 CA PRO A 49 -6.514 -15.201 -6.731 1.00 0.00 C ATOM 770 C PRO A 49 -5.673 -15.130 -8.004 1.00 0.00 C ATOM 771 O PRO A 49 -5.712 -16.032 -8.845 1.00 0.00 O ATOM 772 CB PRO A 49 -7.044 -16.624 -6.513 1.00 0.00 C ATOM 773 CG PRO A 49 -8.441 -16.443 -6.030 1.00 0.00 C ATOM 774 CD PRO A 49 -8.946 -15.201 -6.706 1.00 0.00 C ATOM 0 HA PRO A 49 -5.856 -14.859 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.017 -17.201 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.440 -17.163 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.058 -17.305 -6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.470 -16.338 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.385 -15.420 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.713 -14.702 -6.115 1.00 0.00 H new ATOM 782 N ASN A 50 -4.914 -14.044 -8.134 1.00 0.00 N ATOM 783 CA ASN A 50 -4.057 -13.829 -9.295 1.00 0.00 C ATOM 784 C ASN A 50 -3.173 -12.596 -9.099 1.00 0.00 C ATOM 785 O ASN A 50 -1.955 -12.672 -9.259 1.00 0.00 O ATOM 786 CB ASN A 50 -4.893 -13.685 -10.572 1.00 0.00 C ATOM 787 CG ASN A 50 -4.254 -14.394 -11.753 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.774 -15.520 -11.626 1.00 0.00 O ATOM 789 ND2 ASN A 50 -4.241 -13.741 -12.909 1.00 0.00 N ATOM 0 H ASN A 50 -4.876 -13.295 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.413 -14.702 -9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.890 -14.092 -10.401 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.016 -12.628 -10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.822 -14.172 -13.733 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.650 -12.809 -12.973 1.00 0.00 H new ATOM 796 N ASP A 51 -3.791 -11.465 -8.737 1.00 0.00 N ATOM 797 CA ASP A 51 -3.054 -10.224 -8.504 1.00 0.00 C ATOM 798 C ASP A 51 -2.568 -10.151 -7.058 1.00 0.00 C ATOM 799 O ASP A 51 -1.433 -9.748 -6.797 1.00 0.00 O ATOM 800 CB ASP A 51 -3.914 -8.990 -8.843 1.00 0.00 C ATOM 801 CG ASP A 51 -5.384 -9.113 -8.457 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.709 -9.897 -7.547 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.213 -8.411 -9.070 1.00 0.00 O ATOM 0 H ASP A 51 -4.799 -11.387 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.188 -10.223 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.492 -8.120 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.848 -8.801 -9.915 1.00 0.00 H new ATOM 808 N VAL A 52 -3.427 -10.551 -6.118 1.00 0.00 N ATOM 809 CA VAL A 52 -3.072 -10.534 -4.711 1.00 0.00 C ATOM 810 C VAL A 52 -2.175 -11.716 -4.357 1.00 0.00 C ATOM 811 O VAL A 52 -1.281 -11.592 -3.528 1.00 0.00 O ATOM 812 CB VAL A 52 -4.307 -10.557 -3.783 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.084 -9.609 -2.629 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.593 -10.200 -4.516 1.00 0.00 C ATOM 0 H VAL A 52 -4.370 -10.889 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.539 -9.597 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.426 -11.576 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.954 -9.624 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.202 -9.919 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.935 -8.599 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.430 -10.231 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.507 -9.197 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.764 -10.916 -5.320 1.00 0.00 H new ATOM 824 N SER A 53 -2.419 -12.862 -4.995 1.00 0.00 N ATOM 825 CA SER A 53 -1.624 -14.065 -4.744 1.00 0.00 C ATOM 826 C SER A 53 -0.128 -13.791 -4.921 1.00 0.00 C ATOM 827 O SER A 53 0.704 -14.403 -4.250 1.00 0.00 O ATOM 828 CB SER A 53 -2.066 -15.199 -5.677 1.00 0.00 C ATOM 829 OG SER A 53 -1.142 -16.276 -5.656 1.00 0.00 O ATOM 0 H SER A 53 -3.158 -12.982 -5.687 1.00 0.00 H new ATOM 0 HA SER A 53 -1.792 -14.367 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.051 -15.557 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.161 -14.819 -6.694 1.00 0.00 H new ATOM 0 HG SER A 53 -1.451 -16.984 -6.259 1.00 0.00 H new ATOM 835 N ILE A 54 0.208 -12.870 -5.827 1.00 0.00 N ATOM 836 CA ILE A 54 1.604 -12.524 -6.086 1.00 0.00 C ATOM 837 C ILE A 54 2.072 -11.370 -5.192 1.00 0.00 C ATOM 838 O ILE A 54 3.167 -11.418 -4.632 1.00 0.00 O ATOM 839 CB ILE A 54 1.831 -12.144 -7.568 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.220 -13.200 -8.496 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.319 -11.987 -7.853 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.980 -12.702 -9.904 1.00 0.00 C ATOM 0 H ILE A 54 -0.466 -12.353 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 54 2.191 -13.413 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 54 1.337 -11.191 -7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.882 -14.065 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.274 -13.540 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.463 -11.720 -8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.730 -11.202 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.830 -12.927 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.547 -13.502 -10.504 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.294 -11.855 -9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.926 -12.389 -10.346 1.00 0.00 H new ATOM 854 N PHE A 55 1.240 -10.334 -5.067 1.00 0.00 N ATOM 855 CA PHE A 55 1.573 -9.168 -4.246 1.00 0.00 C ATOM 856 C PHE A 55 1.490 -9.492 -2.753 1.00 0.00 C ATOM 857 O PHE A 55 2.443 -9.264 -2.005 1.00 0.00 O ATOM 858 CB PHE A 55 0.634 -8.006 -4.580 1.00 0.00 C ATOM 859 CG PHE A 55 1.067 -6.687 -4.004 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.252 -6.096 -4.408 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.286 -6.036 -3.060 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.652 -4.883 -3.884 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.682 -4.822 -2.533 1.00 0.00 C ATOM 864 CZ PHE A 55 1.867 -4.245 -2.945 1.00 0.00 C ATOM 0 H PHE A 55 0.330 -10.279 -5.524 1.00 0.00 H new ATOM 0 HA PHE A 55 2.600 -8.882 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.560 -7.911 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.365 -8.242 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.871 -6.590 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.641 -6.483 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.579 -4.433 -4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.065 -4.324 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.179 -3.296 -2.533 1.00 0.00 H new ATOM 874 N ILE A 56 0.344 -10.018 -2.330 1.00 0.00 N ATOM 875 CA ILE A 56 0.125 -10.372 -0.930 1.00 0.00 C ATOM 876 C ILE A 56 0.316 -11.869 -0.700 1.00 0.00 C ATOM 877 O ILE A 56 -0.462 -12.688 -1.196 1.00 0.00 O ATOM 878 CB ILE A 56 -1.294 -9.966 -0.462 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.519 -8.467 -0.681 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.517 -10.336 1.002 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.632 -7.586 0.173 1.00 0.00 C ATOM 0 H ILE A 56 -0.451 -10.209 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 56 0.865 -9.823 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.019 -10.518 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.345 -8.232 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.562 -8.231 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.522 -10.039 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.404 -11.413 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.785 -9.820 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.849 -6.539 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.822 -7.791 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.414 -7.793 -0.055 1.00 0.00 H new ATOM 893 N GLU A 57 1.347 -12.218 0.069 1.00 0.00 N ATOM 894 CA GLU A 57 1.638 -13.615 0.388 1.00 0.00 C ATOM 895 C GLU A 57 0.598 -14.171 1.367 1.00 0.00 C ATOM 896 O GLU A 57 -0.479 -13.594 1.530 1.00 0.00 O ATOM 897 CB GLU A 57 3.050 -13.744 0.976 1.00 0.00 C ATOM 898 CG GLU A 57 3.879 -14.853 0.340 1.00 0.00 C ATOM 899 CD GLU A 57 4.303 -15.926 1.329 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.671 -15.576 2.470 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.273 -17.119 0.957 1.00 0.00 O ATOM 0 H GLU A 57 1.997 -11.550 0.484 1.00 0.00 H new ATOM 0 HA GLU A 57 1.590 -14.197 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.573 -12.796 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.972 -13.929 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.302 -15.314 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.768 -14.417 -0.116 1.00 0.00 H new ATOM 908 N ASP A 58 0.920 -15.294 2.012 1.00 0.00 N ATOM 909 CA ASP A 58 0.008 -15.921 2.967 1.00 0.00 C ATOM 910 C ASP A 58 -0.229 -15.014 4.178 1.00 0.00 C ATOM 911 O ASP A 58 0.462 -15.120 5.193 1.00 0.00 O ATOM 912 CB ASP A 58 0.560 -17.279 3.414 1.00 0.00 C ATOM 913 CG ASP A 58 -0.530 -18.243 3.845 1.00 0.00 C ATOM 914 OD1 ASP A 58 -1.498 -18.432 3.077 1.00 0.00 O ATOM 915 OD2 ASP A 58 -0.413 -18.813 4.950 1.00 0.00 O ATOM 0 H ASP A 58 1.805 -15.786 1.890 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.950 -16.077 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.128 -17.722 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.255 -17.130 4.241 1.00 0.00 H new ATOM 920 N ASP A 59 -1.215 -14.120 4.051 1.00 0.00 N ATOM 921 CA ASP A 59 -1.570 -13.176 5.115 1.00 0.00 C ATOM 922 C ASP A 59 -0.392 -12.261 5.469 1.00 0.00 C ATOM 923 O ASP A 59 -0.120 -12.006 6.644 1.00 0.00 O ATOM 924 CB ASP A 59 -2.061 -13.925 6.361 1.00 0.00 C ATOM 925 CG ASP A 59 -3.491 -14.416 6.219 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.385 -13.582 5.959 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.716 -15.634 6.371 1.00 0.00 O ATOM 0 H ASP A 59 -1.787 -14.031 3.211 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.380 -12.548 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.406 -14.775 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.990 -13.267 7.227 1.00 0.00 H new ATOM 932 N SER A 60 0.297 -11.762 4.439 1.00 0.00 N ATOM 933 CA SER A 60 1.441 -10.869 4.631 1.00 0.00 C ATOM 934 C SER A 60 1.915 -10.293 3.294 1.00 0.00 C ATOM 935 O SER A 60 1.394 -10.650 2.238 1.00 0.00 O ATOM 936 CB SER A 60 2.591 -11.620 5.312 1.00 0.00 C ATOM 937 OG SER A 60 2.676 -11.286 6.687 1.00 0.00 O ATOM 0 H SER A 60 0.081 -11.962 3.462 1.00 0.00 H new ATOM 0 HA SER A 60 1.124 -10.044 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.442 -12.694 5.204 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.531 -11.377 4.817 1.00 0.00 H new ATOM 0 HG SER A 60 1.800 -11.411 7.109 1.00 0.00 H new ATOM 943 N ILE A 61 2.910 -9.405 3.343 1.00 0.00 N ATOM 944 CA ILE A 61 3.452 -8.793 2.130 1.00 0.00 C ATOM 945 C ILE A 61 4.622 -9.612 1.585 1.00 0.00 C ATOM 946 O ILE A 61 5.347 -10.257 2.345 1.00 0.00 O ATOM 947 CB ILE A 61 3.922 -7.342 2.381 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.788 -6.508 2.982 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.414 -6.706 1.087 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.129 -5.889 4.322 1.00 0.00 C ATOM 0 H ILE A 61 3.355 -9.095 4.207 1.00 0.00 H new ATOM 0 HA ILE A 61 2.645 -8.775 1.397 1.00 0.00 H new ATOM 0 HB ILE A 61 4.749 -7.369 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.523 -5.715 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.907 -7.139 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.740 -5.685 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.249 -7.284 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.605 -6.693 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.277 -5.313 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.365 -6.677 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.990 -5.231 4.210 1.00 0.00 H new ATOM 962 N ARG A 62 4.802 -9.579 0.265 1.00 0.00 N ATOM 963 CA ARG A 62 5.886 -10.318 -0.381 1.00 0.00 C ATOM 964 C ARG A 62 7.103 -9.421 -0.616 1.00 0.00 C ATOM 965 O ARG A 62 6.962 -8.215 -0.833 1.00 0.00 O ATOM 966 CB ARG A 62 5.412 -10.908 -1.714 1.00 0.00 C ATOM 967 CG ARG A 62 5.333 -12.426 -1.715 1.00 0.00 C ATOM 968 CD ARG A 62 6.300 -13.038 -2.720 1.00 0.00 C ATOM 969 NE ARG A 62 6.757 -14.365 -2.306 1.00 0.00 N ATOM 970 CZ ARG A 62 7.855 -14.962 -2.782 1.00 0.00 C ATOM 971 NH1 ARG A 62 8.613 -14.359 -3.694 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.194 -16.170 -2.345 1.00 0.00 N ATOM 0 H ARG A 62 4.212 -9.049 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 62 6.179 -11.129 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.429 -10.501 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.090 -10.587 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.558 -12.803 -0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.316 -12.738 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.814 -13.110 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.161 -12.380 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 62 6.204 -14.866 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.359 -13.433 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.448 -14.823 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.617 -16.641 -1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.031 -16.627 -2.707 1.00 0.00 H new ATOM 986 N PRO A 63 8.321 -10.004 -0.581 1.00 0.00 N ATOM 987 CA PRO A 63 9.566 -9.253 -0.799 1.00 0.00 C ATOM 988 C PRO A 63 9.661 -8.688 -2.215 1.00 0.00 C ATOM 989 O PRO A 63 8.988 -9.168 -3.129 1.00 0.00 O ATOM 990 CB PRO A 63 10.665 -10.296 -0.569 1.00 0.00 C ATOM 991 CG PRO A 63 10.001 -11.611 -0.787 1.00 0.00 C ATOM 992 CD PRO A 63 8.579 -11.436 -0.335 1.00 0.00 C ATOM 0 HA PRO A 63 9.637 -8.389 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.495 -10.154 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.074 -10.223 0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.044 -11.901 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.497 -12.398 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.896 -12.071 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.456 -11.692 0.717 1.00 0.00 H new ATOM 1000 N GLY A 64 10.497 -7.665 -2.388 1.00 0.00 N ATOM 1001 CA GLY A 64 10.660 -7.051 -3.696 1.00 0.00 C ATOM 1002 C GLY A 64 9.833 -5.785 -3.860 1.00 0.00 C ATOM 1003 O GLY A 64 10.162 -4.930 -4.686 1.00 0.00 O ATOM 0 H GLY A 64 11.063 -7.251 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.712 -6.815 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.376 -7.768 -4.467 1.00 0.00 H new ATOM 1007 N ILE A 65 8.758 -5.661 -3.077 1.00 0.00 N ATOM 1008 CA ILE A 65 7.890 -4.489 -3.146 1.00 0.00 C ATOM 1009 C ILE A 65 8.453 -3.346 -2.310 1.00 0.00 C ATOM 1010 O ILE A 65 8.344 -3.344 -1.082 1.00 0.00 O ATOM 1011 CB ILE A 65 6.455 -4.808 -2.669 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.909 -6.058 -3.373 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.537 -3.616 -2.904 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.831 -5.930 -4.880 1.00 0.00 C ATOM 0 H ILE A 65 8.471 -6.358 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 65 7.849 -4.189 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 65 6.490 -5.011 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.542 -6.909 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.914 -6.276 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.531 -3.859 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.910 -2.754 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.512 -3.380 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.436 -6.853 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.174 -5.101 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.827 -5.744 -5.281 1.00 0.00 H new ATOM 1026 N ILE A 66 9.058 -2.377 -2.989 1.00 0.00 N ATOM 1027 CA ILE A 66 9.647 -1.222 -2.329 1.00 0.00 C ATOM 1028 C ILE A 66 8.601 -0.135 -2.079 1.00 0.00 C ATOM 1029 O ILE A 66 7.935 0.324 -3.009 1.00 0.00 O ATOM 1030 CB ILE A 66 10.800 -0.645 -3.173 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.909 -1.688 -3.335 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.351 0.629 -2.541 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.899 -2.378 -4.682 1.00 0.00 C ATOM 0 H ILE A 66 9.153 -2.371 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 66 10.038 -1.556 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 66 10.411 -0.391 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.875 -1.204 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.808 -2.438 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.164 1.018 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.558 1.374 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.725 0.407 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.712 -3.103 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.947 -2.891 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.031 -1.638 -5.471 1.00 0.00 H new ATOM 1045 N THR A 67 8.465 0.270 -0.817 1.00 0.00 N ATOM 1046 CA THR A 67 7.501 1.301 -0.436 1.00 0.00 C ATOM 1047 C THR A 67 8.202 2.500 0.205 1.00 0.00 C ATOM 1048 O THR A 67 9.151 2.336 0.971 1.00 0.00 O ATOM 1049 CB THR A 67 6.465 0.720 0.534 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.990 -0.533 0.072 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.263 1.616 0.743 1.00 0.00 C ATOM 0 H THR A 67 9.011 -0.101 -0.040 1.00 0.00 H new ATOM 0 HA THR A 67 6.996 1.644 -1.339 1.00 0.00 H new ATOM 0 HB THR A 67 6.990 0.620 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.052 -0.447 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.572 1.142 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.589 2.573 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.761 1.779 -0.210 1.00 0.00 H new ATOM 1059 N LEU A 68 7.725 3.707 -0.109 1.00 0.00 N ATOM 1060 CA LEU A 68 8.308 4.929 0.444 1.00 0.00 C ATOM 1061 C LEU A 68 7.223 5.905 0.899 1.00 0.00 C ATOM 1062 O LEU A 68 6.455 6.420 0.084 1.00 0.00 O ATOM 1063 CB LEU A 68 9.218 5.608 -0.583 1.00 0.00 C ATOM 1064 CG LEU A 68 10.535 4.880 -0.873 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.383 5.687 -1.844 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.304 4.622 0.417 1.00 0.00 C ATOM 0 H LEU A 68 6.940 3.863 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 68 8.902 4.644 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.667 5.715 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.448 6.614 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 68 10.302 3.918 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.315 5.157 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.838 5.821 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.604 6.662 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.235 4.104 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.527 5.571 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.701 4.005 1.083 1.00 0.00 H new ATOM 1078 N ILE A 69 7.173 6.157 2.206 1.00 0.00 N ATOM 1079 CA ILE A 69 6.193 7.074 2.784 1.00 0.00 C ATOM 1080 C ILE A 69 6.810 8.457 2.999 1.00 0.00 C ATOM 1081 O ILE A 69 7.605 8.654 3.920 1.00 0.00 O ATOM 1082 CB ILE A 69 5.647 6.545 4.132 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.232 5.074 4.008 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.472 7.391 4.606 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.908 4.421 5.336 1.00 0.00 C ATOM 0 H ILE A 69 7.804 5.736 2.888 1.00 0.00 H new ATOM 0 HA ILE A 69 5.366 7.149 2.078 1.00 0.00 H new ATOM 0 HB ILE A 69 6.443 6.617 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.361 5.005 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.036 4.518 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.103 7.002 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.797 8.423 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.674 7.354 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.623 3.382 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.784 4.458 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.083 4.952 5.811 1.00 0.00 H new ATOM 1097 N ASN A 70 6.441 9.407 2.135 1.00 0.00 N ATOM 1098 CA ASN A 70 6.954 10.778 2.212 1.00 0.00 C ATOM 1099 C ASN A 70 8.483 10.794 2.127 1.00 0.00 C ATOM 1100 O ASN A 70 9.158 11.375 2.978 1.00 0.00 O ATOM 1101 CB ASN A 70 6.480 11.459 3.504 1.00 0.00 C ATOM 1102 CG ASN A 70 5.137 12.148 3.340 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.199 11.577 2.788 1.00 0.00 O ATOM 1104 ND2 ASN A 70 5.036 13.385 3.820 1.00 0.00 N ATOM 0 H ASN A 70 5.785 9.250 1.370 1.00 0.00 H new ATOM 0 HA ASN A 70 6.560 11.336 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.408 10.715 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.224 12.191 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.156 13.894 3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.838 13.824 4.272 1.00 0.00 H new ATOM 1111 N ASP A 71 9.020 10.145 1.090 1.00 0.00 N ATOM 1112 CA ASP A 71 10.467 10.068 0.877 1.00 0.00 C ATOM 1113 C ASP A 71 11.167 9.397 2.063 1.00 0.00 C ATOM 1114 O ASP A 71 12.307 9.729 2.396 1.00 0.00 O ATOM 1115 CB ASP A 71 11.052 11.466 0.635 1.00 0.00 C ATOM 1116 CG ASP A 71 10.289 12.249 -0.418 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.132 11.736 -1.547 1.00 0.00 O ATOM 1118 OD2 ASP A 71 9.846 13.377 -0.113 1.00 0.00 O ATOM 0 H ASP A 71 8.469 9.662 0.380 1.00 0.00 H new ATOM 0 HA ASP A 71 10.641 9.457 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.046 12.024 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.093 11.371 0.327 1.00 0.00 H new ATOM 1123 N THR A 72 10.476 8.447 2.694 1.00 0.00 N ATOM 1124 CA THR A 72 11.025 7.721 3.838 1.00 0.00 C ATOM 1125 C THR A 72 10.559 6.264 3.819 1.00 0.00 C ATOM 1126 O THR A 72 9.673 5.900 3.045 1.00 0.00 O ATOM 1127 CB THR A 72 10.606 8.393 5.156 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.466 9.794 4.994 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.590 8.170 6.282 1.00 0.00 C ATOM 0 H THR A 72 9.533 8.162 2.431 1.00 0.00 H new ATOM 0 HA THR A 72 12.112 7.742 3.767 1.00 0.00 H new ATOM 0 HB THR A 72 9.656 7.927 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.648 9.985 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.233 8.671 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.686 7.102 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.562 8.576 6.002 1.00 0.00 H new ATOM 1137 N ASP A 73 11.157 5.436 4.675 1.00 0.00 N ATOM 1138 CA ASP A 73 10.795 4.018 4.753 1.00 0.00 C ATOM 1139 C ASP A 73 9.518 3.820 5.572 1.00 0.00 C ATOM 1140 O ASP A 73 9.016 4.756 6.195 1.00 0.00 O ATOM 1141 CB ASP A 73 11.940 3.206 5.370 1.00 0.00 C ATOM 1142 CG ASP A 73 12.687 2.368 4.346 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.749 2.775 3.166 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.213 1.302 4.729 1.00 0.00 O ATOM 0 H ASP A 73 11.892 5.720 5.323 1.00 0.00 H new ATOM 0 HA ASP A 73 10.613 3.664 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.640 3.885 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.539 2.552 6.145 1.00 0.00 H new ATOM 1149 N TRP A 74 8.999 2.590 5.562 1.00 0.00 N ATOM 1150 CA TRP A 74 7.781 2.259 6.302 1.00 0.00 C ATOM 1151 C TRP A 74 8.113 1.544 7.611 1.00 0.00 C ATOM 1152 O TRP A 74 7.602 1.908 8.670 1.00 0.00 O ATOM 1153 CB TRP A 74 6.836 1.397 5.446 1.00 0.00 C ATOM 1154 CG TRP A 74 7.362 0.022 5.146 1.00 0.00 C ATOM 1155 CD1 TRP A 74 7.041 -1.139 5.792 1.00 0.00 C ATOM 1156 CD2 TRP A 74 8.302 -0.335 4.124 1.00 0.00 C ATOM 1157 NE1 TRP A 74 7.727 -2.194 5.239 1.00 0.00 N ATOM 1158 CE2 TRP A 74 8.505 -1.726 4.210 1.00 0.00 C ATOM 1159 CE3 TRP A 74 8.991 0.384 3.146 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 9.367 -2.407 3.354 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 9.845 -0.292 2.297 1.00 0.00 C ATOM 1162 CH2 TRP A 74 10.027 -1.676 2.406 1.00 0.00 C ATOM 0 H TRP A 74 9.404 1.807 5.049 1.00 0.00 H new ATOM 0 HA TRP A 74 7.273 3.193 6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 74 5.880 1.304 5.961 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.643 1.913 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.349 -1.216 6.617 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.668 -3.166 5.544 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.858 1.452 3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.509 -3.474 3.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.381 0.256 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 74 10.702 -2.176 1.728 1.00 0.00 H new ATOM 1173 N GLU A 75 8.977 0.532 7.531 1.00 0.00 N ATOM 1174 CA GLU A 75 9.381 -0.233 8.711 1.00 0.00 C ATOM 1175 C GLU A 75 10.366 0.559 9.571 1.00 0.00 C ATOM 1176 O GLU A 75 10.442 0.356 10.783 1.00 0.00 O ATOM 1177 CB GLU A 75 10.004 -1.567 8.294 1.00 0.00 C ATOM 1178 CG GLU A 75 9.613 -2.732 9.192 1.00 0.00 C ATOM 1179 CD GLU A 75 10.794 -3.315 9.946 1.00 0.00 C ATOM 1180 OE1 GLU A 75 11.776 -3.721 9.289 1.00 0.00 O ATOM 1181 OE2 GLU A 75 10.735 -3.367 11.192 1.00 0.00 O ATOM 0 H GLU A 75 9.411 0.223 6.661 1.00 0.00 H new ATOM 0 HA GLU A 75 8.488 -0.428 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.706 -1.793 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.089 -1.467 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.861 -2.398 9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.153 -3.513 8.587 1.00 0.00 H new ATOM 1188 N LEU A 76 11.115 1.466 8.937 1.00 0.00 N ATOM 1189 CA LEU A 76 12.091 2.296 9.644 1.00 0.00 C ATOM 1190 C LEU A 76 11.433 3.075 10.789 1.00 0.00 C ATOM 1191 O LEU A 76 12.089 3.409 11.777 1.00 0.00 O ATOM 1192 CB LEU A 76 12.760 3.268 8.667 1.00 0.00 C ATOM 1193 CG LEU A 76 14.175 3.717 9.052 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.114 3.616 7.858 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.159 5.139 9.599 1.00 0.00 C ATOM 0 H LEU A 76 11.063 1.643 7.934 1.00 0.00 H new ATOM 0 HA LEU A 76 12.846 1.637 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.801 2.798 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.130 4.152 8.572 1.00 0.00 H new ATOM 0 HG LEU A 76 14.541 3.053 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.113 3.939 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.154 2.583 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.749 4.254 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.173 5.438 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.769 5.817 8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.524 5.181 10.484 1.00 0.00 H new ATOM 1207 N GLU A 77 10.135 3.364 10.649 1.00 0.00 N ATOM 1208 CA GLU A 77 9.397 4.103 11.672 1.00 0.00 C ATOM 1209 C GLU A 77 8.213 3.290 12.204 1.00 0.00 C ATOM 1210 O GLU A 77 8.054 3.141 13.417 1.00 0.00 O ATOM 1211 CB GLU A 77 8.909 5.450 11.119 1.00 0.00 C ATOM 1212 CG GLU A 77 8.301 5.371 9.724 1.00 0.00 C ATOM 1213 CD GLU A 77 8.167 6.732 9.070 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.199 7.285 8.633 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.031 7.247 8.995 1.00 0.00 O ATOM 0 H GLU A 77 9.577 3.097 9.838 1.00 0.00 H new ATOM 0 HA GLU A 77 10.079 4.288 12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.168 5.863 11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.747 6.146 11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.921 4.730 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.319 4.903 9.786 1.00 0.00 H new ATOM 1222 N GLY A 78 7.384 2.769 11.297 1.00 0.00 N ATOM 1223 CA GLY A 78 6.230 1.984 11.708 1.00 0.00 C ATOM 1224 C GLY A 78 5.581 1.245 10.551 1.00 0.00 C ATOM 1225 O GLY A 78 4.727 1.798 9.858 1.00 0.00 O ATOM 0 H GLY A 78 7.492 2.877 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.537 1.264 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.495 2.642 12.172 1.00 0.00 H new ATOM 1229 N GLU A 79 5.993 -0.009 10.343 1.00 0.00 N ATOM 1230 CA GLU A 79 5.452 -0.833 9.258 1.00 0.00 C ATOM 1231 C GLU A 79 3.927 -0.924 9.331 1.00 0.00 C ATOM 1232 O GLU A 79 3.248 -0.810 8.311 1.00 0.00 O ATOM 1233 CB GLU A 79 6.067 -2.239 9.286 1.00 0.00 C ATOM 1234 CG GLU A 79 6.080 -2.888 10.665 1.00 0.00 C ATOM 1235 CD GLU A 79 5.255 -4.162 10.730 1.00 0.00 C ATOM 1236 OE1 GLU A 79 4.124 -4.172 10.197 1.00 0.00 O ATOM 1237 OE2 GLU A 79 5.741 -5.152 11.317 1.00 0.00 O ATOM 0 H GLU A 79 6.699 -0.476 10.912 1.00 0.00 H new ATOM 0 HA GLU A 79 5.717 -0.351 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.512 -2.880 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.090 -2.183 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.109 -3.114 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.699 -2.177 11.398 1.00 0.00 H new ATOM 1244 N LYS A 80 3.394 -1.124 10.539 1.00 0.00 N ATOM 1245 CA LYS A 80 1.949 -1.219 10.737 1.00 0.00 C ATOM 1246 C LYS A 80 1.471 -0.202 11.775 1.00 0.00 C ATOM 1247 O LYS A 80 0.417 0.415 11.603 1.00 0.00 O ATOM 1248 CB LYS A 80 1.561 -2.636 11.168 1.00 0.00 C ATOM 1249 CG LYS A 80 0.076 -2.799 11.464 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.465 -4.120 10.932 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.657 -5.139 12.046 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.133 -6.452 11.525 1.00 0.00 N ATOM 0 H LYS A 80 3.943 -1.223 11.393 1.00 0.00 H new ATOM 0 HA LYS A 80 1.462 -0.994 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.845 -3.336 10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.132 -2.905 12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.088 -2.746 12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.477 -1.973 11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.416 -3.947 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.222 -4.521 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.285 -5.279 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.375 -4.754 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.251 -7.117 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.045 -6.324 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.436 -6.832 10.854 1.00 0.00 H new ATOM 1266 N ASP A 81 2.250 -0.026 12.846 1.00 0.00 N ATOM 1267 CA ASP A 81 1.907 0.922 13.906 1.00 0.00 C ATOM 1268 C ASP A 81 2.226 2.359 13.480 1.00 0.00 C ATOM 1269 O ASP A 81 2.972 3.074 14.153 1.00 0.00 O ATOM 1270 CB ASP A 81 2.653 0.567 15.200 1.00 0.00 C ATOM 1271 CG ASP A 81 1.880 -0.409 16.070 1.00 0.00 C ATOM 1272 OD1 ASP A 81 0.643 -0.262 16.183 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.513 -1.321 16.640 1.00 0.00 O ATOM 0 H ASP A 81 3.124 -0.529 13.001 1.00 0.00 H new ATOM 0 HA ASP A 81 0.835 0.854 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.622 0.136 14.950 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.846 1.478 15.766 1.00 0.00 H new ATOM 1278 N TYR A 82 1.644 2.771 12.355 1.00 0.00 N ATOM 1279 CA TYR A 82 1.838 4.113 11.820 1.00 0.00 C ATOM 1280 C TYR A 82 0.485 4.759 11.542 1.00 0.00 C ATOM 1281 O TYR A 82 -0.217 4.369 10.606 1.00 0.00 O ATOM 1282 CB TYR A 82 2.675 4.058 10.535 1.00 0.00 C ATOM 1283 CG TYR A 82 2.742 5.373 9.785 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.609 6.382 10.185 1.00 0.00 C ATOM 1285 CD2 TYR A 82 1.938 5.600 8.675 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.672 7.580 9.501 1.00 0.00 C ATOM 1287 CE2 TYR A 82 1.996 6.795 7.986 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.864 7.782 8.402 1.00 0.00 C ATOM 1289 OH TYR A 82 2.927 8.972 7.717 1.00 0.00 O ATOM 0 H TYR A 82 1.027 2.185 11.792 1.00 0.00 H new ATOM 0 HA TYR A 82 2.373 4.713 12.556 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.688 3.743 10.787 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.259 3.296 9.875 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.244 6.227 11.045 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.257 4.829 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.351 8.355 9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.364 6.956 7.125 1.00 0.00 H new ATOM 0 HH TYR A 82 2.720 8.817 6.772 1.00 0.00 H new ATOM 1299 N ILE A 83 0.119 5.740 12.366 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.157 6.433 12.212 1.00 0.00 C ATOM 1301 C ILE A 83 -1.248 7.106 10.844 1.00 0.00 C ATOM 1302 O ILE A 83 -0.348 7.849 10.448 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.370 7.496 13.316 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.150 6.888 14.708 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.767 8.092 13.211 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.167 7.664 15.560 1.00 0.00 C ATOM 0 H ILE A 83 0.688 6.071 13.145 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.939 5.679 12.301 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.638 8.291 13.173 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.107 6.836 15.228 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.792 5.865 14.596 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.904 8.838 13.993 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.890 8.562 12.235 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.509 7.302 13.329 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.061 7.176 16.529 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.802 7.694 15.061 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.533 8.681 15.703 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.338 6.837 10.124 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.544 7.414 8.801 1.00 0.00 C ATOM 1320 C LEU A 84 -2.684 8.936 8.887 1.00 0.00 C ATOM 1321 O LEU A 84 -2.707 9.506 9.981 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.784 6.799 8.142 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.611 5.367 7.611 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.862 4.917 6.866 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.389 5.268 6.707 1.00 0.00 C ATOM 0 H LEU A 84 -3.090 6.223 10.437 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.672 7.187 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.598 6.803 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.090 7.440 7.315 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.459 4.706 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.720 3.901 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.717 4.942 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.045 5.586 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.287 4.245 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.507 5.944 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.497 5.544 7.270 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.775 9.588 7.729 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.904 11.038 7.668 1.00 0.00 C ATOM 1339 C GLU A 85 -3.333 11.477 6.273 1.00 0.00 C ATOM 1340 O GLU A 85 -2.516 11.537 5.353 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.579 11.713 8.039 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.683 12.657 9.227 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.741 14.116 8.813 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -2.620 14.469 7.997 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.909 14.907 9.307 1.00 0.00 O ATOM 0 H GLU A 85 -2.761 9.130 6.818 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.667 11.341 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.840 10.944 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.211 12.268 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.575 12.412 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.827 12.504 9.884 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.620 11.775 6.126 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.173 12.210 4.842 1.00 0.00 C ATOM 1354 C ASP A 86 -4.309 13.306 4.221 1.00 0.00 C ATOM 1355 O ASP A 86 -4.181 14.400 4.775 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.615 12.711 5.002 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.787 13.666 6.169 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.823 13.193 7.325 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -6.888 14.886 5.926 1.00 0.00 O ATOM 0 H ASP A 86 -5.304 11.724 6.881 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.177 11.346 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.924 13.210 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.277 11.856 5.139 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.713 12.994 3.071 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.856 13.947 2.386 1.00 0.00 C ATOM 1366 C GLY A 87 -1.385 13.565 2.450 1.00 0.00 C ATOM 1367 O GLY A 87 -0.511 14.425 2.313 1.00 0.00 O ATOM 0 H GLY A 87 -3.810 12.094 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.163 14.021 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.990 14.934 2.829 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.107 12.274 2.657 1.00 0.00 N ATOM 1372 CA ASP A 88 0.268 11.788 2.738 1.00 0.00 C ATOM 1373 C ASP A 88 0.726 11.209 1.399 1.00 0.00 C ATOM 1374 O ASP A 88 -0.081 11.015 0.487 1.00 0.00 O ATOM 1375 CB ASP A 88 0.391 10.730 3.840 1.00 0.00 C ATOM 1376 CG ASP A 88 1.687 10.848 4.621 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.947 11.934 5.182 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.442 9.854 4.673 1.00 0.00 O ATOM 0 H ASP A 88 -1.817 11.550 2.771 1.00 0.00 H new ATOM 0 HA ASP A 88 0.912 12.633 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.452 10.825 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.329 9.737 3.394 1.00 0.00 H new ATOM 1383 N ILE A 89 2.028 10.941 1.287 1.00 0.00 N ATOM 1384 CA ILE A 89 2.599 10.391 0.060 1.00 0.00 C ATOM 1385 C ILE A 89 3.163 8.988 0.289 1.00 0.00 C ATOM 1386 O ILE A 89 3.956 8.771 1.205 1.00 0.00 O ATOM 1387 CB ILE A 89 3.721 11.298 -0.493 1.00 0.00 C ATOM 1388 CG1 ILE A 89 3.257 12.757 -0.562 1.00 0.00 C ATOM 1389 CG2 ILE A 89 4.170 10.818 -1.868 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.080 12.982 -1.491 1.00 0.00 C ATOM 0 H ILE A 89 2.706 11.097 2.033 1.00 0.00 H new ATOM 0 HA ILE A 89 1.789 10.338 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 89 4.570 11.240 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.986 13.090 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.090 13.378 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.960 11.469 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.546 9.798 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.325 10.843 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.810 14.038 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.352 12.681 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.231 12.389 -1.152 1.00 0.00 H new ATOM 1402 N ILE A 90 2.746 8.042 -0.555 1.00 0.00 N ATOM 1403 CA ILE A 90 3.206 6.655 -0.456 1.00 0.00 C ATOM 1404 C ILE A 90 3.548 6.095 -1.838 1.00 0.00 C ATOM 1405 O ILE A 90 2.906 6.443 -2.831 1.00 0.00 O ATOM 1406 CB ILE A 90 2.139 5.755 0.206 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.658 6.376 1.520 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.686 4.353 0.449 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.615 5.547 2.238 1.00 0.00 C ATOM 0 H ILE A 90 2.089 8.212 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 90 4.101 6.657 0.166 1.00 0.00 H new ATOM 0 HB ILE A 90 1.291 5.676 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.514 6.518 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.246 7.364 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.917 3.738 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.980 3.907 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.553 4.410 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.322 6.050 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.258 5.427 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.029 4.567 2.475 1.00 0.00 H new ATOM 1421 N SER A 91 4.562 5.231 -1.899 1.00 0.00 N ATOM 1422 CA SER A 91 4.984 4.631 -3.165 1.00 0.00 C ATOM 1423 C SER A 91 5.073 3.108 -3.057 1.00 0.00 C ATOM 1424 O SER A 91 5.250 2.564 -1.968 1.00 0.00 O ATOM 1425 CB SER A 91 6.338 5.198 -3.605 1.00 0.00 C ATOM 1426 OG SER A 91 6.553 6.498 -3.079 1.00 0.00 O ATOM 0 H SER A 91 5.105 4.932 -1.089 1.00 0.00 H new ATOM 0 HA SER A 91 4.231 4.880 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.137 4.534 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.383 5.233 -4.694 1.00 0.00 H new ATOM 0 HG SER A 91 6.331 7.167 -3.760 1.00 0.00 H new ATOM 1432 N PHE A 92 4.946 2.430 -4.198 1.00 0.00 N ATOM 1433 CA PHE A 92 5.011 0.969 -4.249 1.00 0.00 C ATOM 1434 C PHE A 92 5.713 0.503 -5.526 1.00 0.00 C ATOM 1435 O PHE A 92 5.064 0.155 -6.516 1.00 0.00 O ATOM 1436 CB PHE A 92 3.604 0.370 -4.168 1.00 0.00 C ATOM 1437 CG PHE A 92 3.059 0.298 -2.770 1.00 0.00 C ATOM 1438 CD1 PHE A 92 2.337 1.354 -2.239 1.00 0.00 C ATOM 1439 CD2 PHE A 92 3.271 -0.826 -1.987 1.00 0.00 C ATOM 1440 CE1 PHE A 92 1.837 1.293 -0.952 1.00 0.00 C ATOM 1441 CE2 PHE A 92 2.774 -0.893 -0.701 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.056 0.167 -0.183 1.00 0.00 C ATOM 0 H PHE A 92 4.797 2.873 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 92 5.589 0.622 -3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.929 0.966 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.620 -0.633 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.163 2.236 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.831 -1.658 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.277 2.124 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.946 -1.774 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.666 0.115 0.823 1.00 0.00 H new ATOM 1452 N THR A 93 7.045 0.507 -5.494 1.00 0.00 N ATOM 1453 CA THR A 93 7.851 0.091 -6.640 1.00 0.00 C ATOM 1454 C THR A 93 8.080 -1.421 -6.633 1.00 0.00 C ATOM 1455 O THR A 93 8.297 -2.019 -5.578 1.00 0.00 O ATOM 1456 CB THR A 93 9.198 0.820 -6.635 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.021 2.204 -6.389 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.962 0.680 -7.935 1.00 0.00 C ATOM 0 H THR A 93 7.591 0.795 -4.682 1.00 0.00 H new ATOM 0 HA THR A 93 7.304 0.352 -7.546 1.00 0.00 H new ATOM 0 HB THR A 93 9.776 0.348 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.893 2.650 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.906 1.220 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.161 -0.374 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.370 1.093 -8.751 1.00 0.00 H new ATOM 1466 N SER A 94 8.034 -2.031 -7.817 1.00 0.00 N ATOM 1467 CA SER A 94 8.240 -3.471 -7.946 1.00 0.00 C ATOM 1468 C SER A 94 9.645 -3.776 -8.464 1.00 0.00 C ATOM 1469 O SER A 94 9.924 -3.631 -9.656 1.00 0.00 O ATOM 1470 CB SER A 94 7.190 -4.080 -8.881 1.00 0.00 C ATOM 1471 OG SER A 94 6.990 -5.457 -8.600 1.00 0.00 O ATOM 0 H SER A 94 7.856 -1.550 -8.699 1.00 0.00 H new ATOM 0 HA SER A 94 8.133 -3.918 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.248 -3.543 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.508 -3.960 -9.917 1.00 0.00 H new ATOM 0 HG SER A 94 6.314 -5.820 -9.210 1.00 0.00 H new ATOM 1477 N THR A 95 10.524 -4.203 -7.558 1.00 0.00 N ATOM 1478 CA THR A 95 11.900 -4.536 -7.913 1.00 0.00 C ATOM 1479 C THR A 95 12.420 -5.666 -7.024 1.00 0.00 C ATOM 1480 O THR A 95 13.005 -5.424 -5.965 1.00 0.00 O ATOM 1481 CB THR A 95 12.813 -3.304 -7.797 1.00 0.00 C ATOM 1482 OG1 THR A 95 12.060 -2.100 -7.795 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.827 -3.207 -8.916 1.00 0.00 C ATOM 0 H THR A 95 10.305 -4.326 -6.569 1.00 0.00 H new ATOM 0 HA THR A 95 11.910 -4.870 -8.950 1.00 0.00 H new ATOM 0 HB THR A 95 13.340 -3.433 -6.852 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.667 -1.335 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.440 -2.316 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.464 -4.091 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.308 -3.143 -9.873 1.00 0.00 H new