USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 906 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 123 TYR OH : rot -120:sc= 0.208 USER MOD Set 1.2: A 127 ASN : amide:sc= -0.266 X(o=-0.058,f=0) USER MOD Set 2.1: A 75 TYR OH : rot 150:sc= -0.814 USER MOD Set 2.2: A 79 MET CE :methyl -179:sc= -0.676 (180deg=-0.677) USER MOD Set 3.1: A 60 TYR OH : rot 165:sc= -0.198 USER MOD Set 3.2: A 68 ASN : amide:sc= 0 X(o=-0.2,f=-0.2) USER MOD Set 4.1: A 37 CYS SG : rot 43:sc= 0.441 USER MOD Set 4.2: A 41 MET CE :methyl -145:sc= -0.0905 (180deg=-0.381) USER MOD Set 5.1: A 15 LYS NZ :NH3+ -130:sc= 0.673 (180deg=0.265) USER MOD Set 5.2: A 16 GLN : amide:sc= -0.784 K(o=-0.039,f=-2.2) USER MOD Set 5.3: A 25 HIS : no HE2:sc= 0.0715 K(o=-0.039,f=-3.1!) USER MOD Set 6.1: A 10 GLN :FLIP amide:sc= -2.01 F(o=-3.2!,f=-1.5) USER MOD Set 6.2: A 83 ASN : amide:sc= 0.509 K(o=-1.5,f=-2.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.252 USER MOD Single : A 11 MET CE :methyl -167:sc= 0 (180deg=-0.273) USER MOD Single : A 12 GLN : amide:sc= 0.687 K(o=0.69,f=-0.22) USER MOD Single : A 17 SER OG : rot 68:sc= 1.19 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.15 F(o=-2.1!,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 1.83 (180deg=1.01) USER MOD Single : A 36 SER OG : rot 179:sc= 1.16 USER MOD Single : A 39 SER OG : rot 100:sc= 1.24 USER MOD Single : A 40 SER OG : rot -23:sc= 0.266 USER MOD Single : A 49 THR OG1 : rot 44:sc= 0.206 USER MOD Single : A 55 GLN : amide:sc= 0.899 K(o=0.9,f=-0.75) USER MOD Single : A 56 TYR OH : rot 55:sc= -0.789 USER MOD Single : A 61 ASN : amide:sc= 0.948 K(o=0.95,f=-0.0075) USER MOD Single : A 62 ASN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 64 THR OG1 : rot 18:sc= 0.254 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= -1.7! (180deg=-2.04!) USER MOD Single : A 71 SER OG : rot -133:sc= 0.491 USER MOD Single : A 74 ASN : amide:sc= -6.17! C(o=-6.2!,f=-10!) USER MOD Single : A 77 GLN : amide:sc= 1.06 K(o=1.1,f=-0.62) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.0996 (180deg=-0.494) USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= 1.12 (180deg=-0.0206) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 97 SER OG : rot -85:sc= 1.17 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 2.28 (180deg=2.2) USER MOD Single : A 105 SER OG : rot 93:sc= 1.23 USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 111 MET CE :methyl -156:sc= -1.74 (180deg=-2.76!) USER MOD Single : A 112 GLN : amide:sc= -0.0438 X(o=-0.044,f=-0.21) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 0.871 (180deg=0.709) USER MOD Single : A 116 MET CE :methyl 162:sc= -0.0932 (180deg=-0.464) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.0717 K(o=0.072,f=-2) USER MOD Single : A 125 LYS NZ :NH3+ 167:sc= 2.27 (180deg=1.89) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 135 TYR OH : rot 90:sc= -0.378 USER MOD Single : A 137 TYR OH : rot 25:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -8.234 13.165 3.134 1.00 53.12 N ATOM 41 CA GLY A 5 -7.574 12.244 4.006 1.00 33.34 C ATOM 42 C GLY A 5 -6.923 11.183 3.177 1.00 73.23 C ATOM 43 O GLY A 5 -6.015 10.489 3.619 1.00 14.15 O ATOM 0 HA2 GLY A 5 -6.829 12.762 4.610 1.00 33.34 H new ATOM 0 HA3 GLY A 5 -8.290 11.798 4.697 1.00 33.34 H new ATOM 47 N VAL A 6 -7.419 11.041 1.963 1.00 21.21 N ATOM 48 CA VAL A 6 -6.842 10.143 1.013 1.00 33.34 C ATOM 49 C VAL A 6 -6.186 10.955 -0.088 1.00 51.45 C ATOM 50 O VAL A 6 -6.517 12.129 -0.300 1.00 23.53 O ATOM 51 CB VAL A 6 -7.886 9.145 0.418 1.00 20.51 C ATOM 52 CG1 VAL A 6 -8.933 9.831 -0.425 1.00 21.34 C ATOM 53 CG2 VAL A 6 -7.229 8.031 -0.361 1.00 53.11 C ATOM 0 H VAL A 6 -8.233 11.550 1.619 1.00 21.21 H new ATOM 0 HA VAL A 6 -6.099 9.533 1.526 1.00 33.34 H new ATOM 0 HB VAL A 6 -8.393 8.705 1.277 1.00 20.51 H new ATOM 0 HG11 VAL A 6 -9.632 9.089 -0.812 1.00 21.34 H new ATOM 0 HG12 VAL A 6 -9.474 10.555 0.184 1.00 21.34 H new ATOM 0 HG13 VAL A 6 -8.451 10.345 -1.257 1.00 21.34 H new ATOM 0 HG21 VAL A 6 -7.994 7.362 -0.755 1.00 53.11 H new ATOM 0 HG22 VAL A 6 -6.656 8.453 -1.186 1.00 53.11 H new ATOM 0 HG23 VAL A 6 -6.562 7.472 0.296 1.00 53.11 H new ATOM 63 N THR A 7 -5.265 10.344 -0.742 1.00 51.43 N ATOM 64 CA THR A 7 -4.541 10.934 -1.803 1.00 30.44 C ATOM 65 C THR A 7 -5.359 10.938 -3.110 1.00 43.42 C ATOM 66 O THR A 7 -6.181 10.012 -3.391 1.00 12.34 O ATOM 67 CB THR A 7 -3.177 10.198 -1.996 1.00 12.24 C ATOM 68 OG1 THR A 7 -2.507 10.655 -3.179 1.00 62.13 O ATOM 69 CG2 THR A 7 -3.358 8.675 -2.041 1.00 14.45 C ATOM 0 H THR A 7 -4.986 9.383 -0.543 1.00 51.43 H new ATOM 0 HA THR A 7 -4.342 11.974 -1.544 1.00 30.44 H new ATOM 0 HB THR A 7 -2.557 10.438 -1.132 1.00 12.24 H new ATOM 0 HG1 THR A 7 -1.655 10.180 -3.276 1.00 62.13 H new ATOM 0 HG21 THR A 7 -2.388 8.197 -2.176 1.00 14.45 H new ATOM 0 HG22 THR A 7 -3.803 8.334 -1.107 1.00 14.45 H new ATOM 0 HG23 THR A 7 -4.012 8.411 -2.872 1.00 14.45 H new ATOM 77 N ALA A 8 -5.115 11.964 -3.916 1.00 31.31 N ATOM 78 CA ALA A 8 -5.740 12.107 -5.216 1.00 11.53 C ATOM 79 C ALA A 8 -5.309 10.963 -6.118 1.00 5.23 C ATOM 80 O ALA A 8 -5.998 10.618 -7.062 1.00 34.21 O ATOM 81 CB ALA A 8 -5.370 13.448 -5.836 1.00 61.41 C ATOM 0 H ALA A 8 -4.474 12.722 -3.681 1.00 31.31 H new ATOM 0 HA ALA A 8 -6.823 12.074 -5.098 1.00 11.53 H new ATOM 0 HB1 ALA A 8 -5.846 13.541 -6.812 1.00 61.41 H new ATOM 0 HB2 ALA A 8 -5.710 14.255 -5.187 1.00 61.41 H new ATOM 0 HB3 ALA A 8 -4.288 13.509 -5.953 1.00 61.41 H new ATOM 87 N GLU A 9 -4.170 10.359 -5.779 1.00 30.50 N ATOM 88 CA GLU A 9 -3.677 9.215 -6.501 1.00 62.14 C ATOM 89 C GLU A 9 -4.615 8.031 -6.265 1.00 23.13 C ATOM 90 O GLU A 9 -4.968 7.323 -7.192 1.00 72.44 O ATOM 91 CB GLU A 9 -2.244 8.874 -6.075 1.00 51.25 C ATOM 92 CG GLU A 9 -1.591 7.809 -6.940 1.00 3.43 C ATOM 93 CD GLU A 9 -1.530 8.227 -8.396 1.00 72.05 C ATOM 94 OE1 GLU A 9 -2.517 7.989 -9.128 1.00 62.22 O ATOM 95 OE2 GLU A 9 -0.516 8.816 -8.804 1.00 44.21 O ATOM 0 H GLU A 9 -3.578 10.655 -5.003 1.00 30.50 H new ATOM 0 HA GLU A 9 -3.653 9.446 -7.566 1.00 62.14 H new ATOM 0 HB2 GLU A 9 -1.638 9.780 -6.109 1.00 51.25 H new ATOM 0 HB3 GLU A 9 -2.252 8.534 -5.039 1.00 51.25 H new ATOM 0 HG2 GLU A 9 -0.583 7.612 -6.576 1.00 3.43 H new ATOM 0 HG3 GLU A 9 -2.149 6.877 -6.852 1.00 3.43 H new ATOM 102 N GLN A 10 -5.118 7.878 -5.018 1.00 40.14 N ATOM 103 CA GLN A 10 -6.046 6.785 -4.757 1.00 30.50 C ATOM 104 C GLN A 10 -7.285 7.074 -5.457 1.00 51.22 C ATOM 105 O GLN A 10 -7.945 6.183 -5.959 1.00 73.54 O ATOM 106 CB GLN A 10 -6.453 6.575 -3.329 1.00 33.15 C ATOM 107 CG GLN A 10 -7.193 5.259 -3.215 1.00 14.33 C ATOM 108 CD GLN A 10 -7.787 4.999 -1.867 1.00 5.23 C ATOM 109 OE1 GLN A 10 -7.092 4.284 -1.064 1.00 12.13 O flip ATOM 110 NE2 GLN A 10 -8.913 5.392 -1.580 1.00 4.12 N flip ATOM 0 H GLN A 10 -4.902 8.474 -4.219 1.00 40.14 H new ATOM 0 HA GLN A 10 -5.508 5.893 -5.078 1.00 30.50 H new ATOM 0 HB2 GLN A 10 -5.574 6.570 -2.684 1.00 33.15 H new ATOM 0 HB3 GLN A 10 -7.089 7.395 -2.994 1.00 33.15 H new ATOM 0 HG2 GLN A 10 -7.989 5.238 -3.959 1.00 14.33 H new ATOM 0 HG3 GLN A 10 -6.507 4.448 -3.459 1.00 14.33 H new ATOM 0 HE21 GLN A 10 -9.439 5.960 -2.244 1.00 4.12 H new ATOM 0 HE22 GLN A 10 -9.323 5.151 -0.678 1.00 4.12 H new ATOM 119 N MET A 11 -7.621 8.341 -5.496 1.00 63.02 N ATOM 120 CA MET A 11 -8.807 8.753 -6.194 1.00 44.43 C ATOM 121 C MET A 11 -8.756 8.318 -7.681 1.00 52.34 C ATOM 122 O MET A 11 -9.771 8.277 -8.340 1.00 55.35 O ATOM 123 CB MET A 11 -9.089 10.247 -6.046 1.00 64.23 C ATOM 124 CG MET A 11 -9.366 10.676 -4.620 1.00 75.31 C ATOM 125 SD MET A 11 -9.674 12.447 -4.460 1.00 31.04 S ATOM 126 CE MET A 11 -9.974 12.538 -2.712 1.00 21.14 C ATOM 0 H MET A 11 -7.094 9.095 -5.056 1.00 63.02 H new ATOM 0 HA MET A 11 -9.647 8.241 -5.725 1.00 44.43 H new ATOM 0 HB2 MET A 11 -8.235 10.808 -6.426 1.00 64.23 H new ATOM 0 HB3 MET A 11 -9.945 10.510 -6.668 1.00 64.23 H new ATOM 0 HG2 MET A 11 -10.229 10.128 -4.243 1.00 75.31 H new ATOM 0 HG3 MET A 11 -8.517 10.403 -3.993 1.00 75.31 H new ATOM 0 HE1 MET A 11 -10.406 13.508 -2.467 1.00 21.14 H new ATOM 0 HE2 MET A 11 -10.667 11.749 -2.420 1.00 21.14 H new ATOM 0 HE3 MET A 11 -9.034 12.413 -2.175 1.00 21.14 H new ATOM 136 N GLN A 12 -7.548 8.018 -8.186 1.00 33.24 N ATOM 137 CA GLN A 12 -7.376 7.428 -9.495 1.00 2.43 C ATOM 138 C GLN A 12 -7.362 5.878 -9.362 1.00 3.23 C ATOM 139 O GLN A 12 -8.026 5.180 -10.143 1.00 14.03 O ATOM 140 CB GLN A 12 -6.079 7.930 -10.164 1.00 34.14 C ATOM 141 CG GLN A 12 -5.874 7.394 -11.578 1.00 3.10 C ATOM 142 CD GLN A 12 -4.627 7.928 -12.280 1.00 31.11 C ATOM 143 OE1 GLN A 12 -4.618 8.073 -13.502 1.00 51.12 O ATOM 144 NE2 GLN A 12 -3.566 8.180 -11.554 1.00 15.13 N ATOM 0 H GLN A 12 -6.673 8.183 -7.688 1.00 33.24 H new ATOM 0 HA GLN A 12 -8.209 7.728 -10.131 1.00 2.43 H new ATOM 0 HB2 GLN A 12 -6.095 9.019 -10.196 1.00 34.14 H new ATOM 0 HB3 GLN A 12 -5.227 7.642 -9.548 1.00 34.14 H new ATOM 0 HG2 GLN A 12 -5.815 6.306 -11.536 1.00 3.10 H new ATOM 0 HG3 GLN A 12 -6.749 7.643 -12.178 1.00 3.10 H new ATOM 0 HE21 GLN A 12 -3.598 8.052 -10.543 1.00 15.13 H new ATOM 0 HE22 GLN A 12 -2.708 8.504 -12.000 1.00 15.13 H new ATOM 153 N GLU A 13 -6.653 5.357 -8.320 1.00 21.31 N ATOM 154 CA GLU A 13 -6.529 3.905 -8.065 1.00 2.41 C ATOM 155 C GLU A 13 -7.914 3.285 -7.900 1.00 33.42 C ATOM 156 O GLU A 13 -8.428 2.545 -8.778 1.00 70.03 O ATOM 157 CB GLU A 13 -5.767 3.631 -6.733 1.00 71.13 C ATOM 158 CG GLU A 13 -4.334 4.133 -6.618 1.00 51.14 C ATOM 159 CD GLU A 13 -3.775 3.920 -5.200 1.00 54.51 C ATOM 160 OE1 GLU A 13 -3.426 2.770 -4.849 1.00 10.21 O ATOM 161 OE2 GLU A 13 -3.732 4.896 -4.412 1.00 74.34 O ATOM 0 H GLU A 13 -6.157 5.934 -7.641 1.00 21.31 H new ATOM 0 HA GLU A 13 -5.991 3.477 -8.911 1.00 2.41 H new ATOM 0 HB2 GLU A 13 -6.343 4.074 -5.921 1.00 71.13 H new ATOM 0 HB3 GLU A 13 -5.759 2.554 -6.568 1.00 71.13 H new ATOM 0 HG2 GLU A 13 -3.706 3.612 -7.340 1.00 51.14 H new ATOM 0 HG3 GLU A 13 -4.297 5.193 -6.870 1.00 51.14 H new ATOM 168 N PHE A 14 -8.552 3.691 -6.818 1.00 50.31 N ATOM 169 CA PHE A 14 -9.786 3.143 -6.349 1.00 52.45 C ATOM 170 C PHE A 14 -10.881 3.361 -7.349 1.00 21.12 C ATOM 171 O PHE A 14 -11.743 2.506 -7.526 1.00 61.25 O ATOM 172 CB PHE A 14 -10.096 3.691 -4.947 1.00 74.41 C ATOM 173 CG PHE A 14 -11.011 4.801 -4.860 1.00 21.00 C ATOM 174 CD1 PHE A 14 -12.321 4.544 -4.905 1.00 40.10 C ATOM 175 CD2 PHE A 14 -10.585 6.071 -4.710 1.00 41.13 C ATOM 176 CE1 PHE A 14 -13.210 5.490 -4.810 1.00 45.13 C ATOM 177 CE2 PHE A 14 -11.470 7.073 -4.615 1.00 34.33 C ATOM 178 CZ PHE A 14 -12.806 6.794 -4.663 1.00 43.53 C ATOM 0 H PHE A 14 -8.200 4.443 -6.226 1.00 50.31 H new ATOM 0 HA PHE A 14 -9.702 2.061 -6.247 1.00 52.45 H new ATOM 0 HB2 PHE A 14 -10.498 2.875 -4.347 1.00 74.41 H new ATOM 0 HB3 PHE A 14 -9.155 3.992 -4.487 1.00 74.41 H new ATOM 0 HD1 PHE A 14 -12.652 3.523 -5.024 1.00 40.10 H new ATOM 0 HD2 PHE A 14 -9.527 6.282 -4.666 1.00 41.13 H new ATOM 0 HE1 PHE A 14 -14.262 5.250 -4.847 1.00 45.13 H new ATOM 0 HE2 PHE A 14 -11.130 8.092 -4.502 1.00 34.33 H new ATOM 0 HZ PHE A 14 -13.534 7.588 -4.586 1.00 43.53 H new ATOM 188 N LYS A 15 -10.789 4.472 -8.046 1.00 30.43 N ATOM 189 CA LYS A 15 -11.711 4.818 -9.090 1.00 41.24 C ATOM 190 C LYS A 15 -11.747 3.756 -10.158 1.00 21.10 C ATOM 191 O LYS A 15 -12.813 3.369 -10.588 1.00 63.34 O ATOM 192 CB LYS A 15 -11.337 6.179 -9.683 1.00 35.44 C ATOM 193 CG LYS A 15 -11.904 6.501 -11.077 1.00 1.12 C ATOM 194 CD LYS A 15 -13.422 6.618 -11.086 1.00 62.41 C ATOM 195 CE LYS A 15 -13.958 6.798 -12.501 1.00 44.32 C ATOM 196 NZ LYS A 15 -13.694 5.614 -13.359 1.00 3.12 N ATOM 0 H LYS A 15 -10.058 5.167 -7.896 1.00 30.43 H new ATOM 0 HA LYS A 15 -12.711 4.884 -8.662 1.00 41.24 H new ATOM 0 HB2 LYS A 15 -11.669 6.954 -8.993 1.00 35.44 H new ATOM 0 HB3 LYS A 15 -10.250 6.242 -9.734 1.00 35.44 H new ATOM 0 HG2 LYS A 15 -11.470 7.435 -11.433 1.00 1.12 H new ATOM 0 HG3 LYS A 15 -11.600 5.722 -11.776 1.00 1.12 H new ATOM 0 HD2 LYS A 15 -13.860 5.725 -10.640 1.00 62.41 H new ATOM 0 HD3 LYS A 15 -13.727 7.464 -10.470 1.00 62.41 H new ATOM 0 HE2 LYS A 15 -15.032 6.982 -12.460 1.00 44.32 H new ATOM 0 HE3 LYS A 15 -13.501 7.679 -12.951 1.00 44.32 H new ATOM 0 HZ1 LYS A 15 -13.262 5.923 -14.253 1.00 3.12 H new ATOM 0 HZ2 LYS A 15 -13.046 4.966 -12.867 1.00 3.12 H new ATOM 0 HZ3 LYS A 15 -14.589 5.123 -13.558 1.00 3.12 H new ATOM 210 N GLN A 16 -10.606 3.250 -10.562 1.00 13.32 N ATOM 211 CA GLN A 16 -10.643 2.308 -11.632 1.00 31.34 C ATOM 212 C GLN A 16 -10.785 0.895 -11.083 1.00 73.32 C ATOM 213 O GLN A 16 -11.255 -0.025 -11.776 1.00 42.23 O ATOM 214 CB GLN A 16 -9.460 2.476 -12.585 1.00 51.23 C ATOM 215 CG GLN A 16 -9.789 1.985 -13.989 1.00 53.21 C ATOM 216 CD GLN A 16 -11.054 2.665 -14.542 1.00 2.32 C ATOM 217 OE1 GLN A 16 -11.363 3.836 -14.219 1.00 24.11 O ATOM 218 NE2 GLN A 16 -11.813 1.941 -15.323 1.00 64.31 N ATOM 0 H GLN A 16 -9.685 3.467 -10.181 1.00 13.32 H new ATOM 0 HA GLN A 16 -11.526 2.505 -12.241 1.00 31.34 H new ATOM 0 HB2 GLN A 16 -9.173 3.527 -12.626 1.00 51.23 H new ATOM 0 HB3 GLN A 16 -8.602 1.926 -12.199 1.00 51.23 H new ATOM 0 HG2 GLN A 16 -8.947 2.185 -14.652 1.00 53.21 H new ATOM 0 HG3 GLN A 16 -9.933 0.905 -13.974 1.00 53.21 H new ATOM 0 HE21 GLN A 16 -11.534 0.991 -15.568 1.00 64.31 H new ATOM 0 HE22 GLN A 16 -12.684 2.326 -15.688 1.00 64.31 H new ATOM 227 N SER A 17 -10.437 0.746 -9.816 1.00 62.43 N ATOM 228 CA SER A 17 -10.556 -0.517 -9.134 1.00 34.22 C ATOM 229 C SER A 17 -12.029 -0.892 -8.943 1.00 41.24 C ATOM 230 O SER A 17 -12.394 -2.059 -9.090 1.00 71.55 O ATOM 231 CB SER A 17 -9.833 -0.474 -7.800 1.00 71.14 C ATOM 232 OG SER A 17 -8.477 -0.087 -7.975 1.00 42.54 O ATOM 0 H SER A 17 -10.065 1.500 -9.238 1.00 62.43 H new ATOM 0 HA SER A 17 -10.088 -1.285 -9.750 1.00 34.22 H new ATOM 0 HB2 SER A 17 -10.333 0.228 -7.132 1.00 71.14 H new ATOM 0 HB3 SER A 17 -9.878 -1.454 -7.325 1.00 71.14 H new ATOM 0 HG SER A 17 -8.438 0.849 -8.263 1.00 42.54 H new ATOM 238 N PHE A 18 -12.886 0.092 -8.615 1.00 12.42 N ATOM 239 CA PHE A 18 -14.300 -0.216 -8.538 1.00 22.43 C ATOM 240 C PHE A 18 -14.840 -0.408 -9.922 1.00 42.51 C ATOM 241 O PHE A 18 -15.506 -1.365 -10.190 1.00 24.34 O ATOM 242 CB PHE A 18 -15.169 0.838 -7.753 1.00 1.24 C ATOM 243 CG PHE A 18 -15.301 2.266 -8.261 1.00 14.14 C ATOM 244 CD1 PHE A 18 -16.007 2.580 -9.438 1.00 72.24 C ATOM 245 CD2 PHE A 18 -14.770 3.300 -7.530 1.00 64.21 C ATOM 246 CE1 PHE A 18 -16.135 3.873 -9.848 1.00 72.54 C ATOM 247 CE2 PHE A 18 -14.912 4.597 -7.945 1.00 2.01 C ATOM 248 CZ PHE A 18 -15.592 4.876 -9.109 1.00 3.33 C ATOM 0 H PHE A 18 -12.629 1.058 -8.410 1.00 12.42 H new ATOM 0 HA PHE A 18 -14.378 -1.134 -7.955 1.00 22.43 H new ATOM 0 HB2 PHE A 18 -16.177 0.430 -7.676 1.00 1.24 H new ATOM 0 HB3 PHE A 18 -14.770 0.893 -6.740 1.00 1.24 H new ATOM 0 HD1 PHE A 18 -16.452 1.788 -10.022 1.00 72.24 H new ATOM 0 HD2 PHE A 18 -14.234 3.088 -6.617 1.00 64.21 H new ATOM 0 HE1 PHE A 18 -16.668 4.101 -10.760 1.00 72.54 H new ATOM 0 HE2 PHE A 18 -14.491 5.401 -7.359 1.00 2.01 H new ATOM 0 HZ PHE A 18 -15.695 5.900 -9.437 1.00 3.33 H new ATOM 258 N ASP A 19 -14.392 0.477 -10.798 1.00 33.10 N ATOM 259 CA ASP A 19 -14.877 0.662 -12.172 1.00 43.13 C ATOM 260 C ASP A 19 -14.838 -0.609 -12.961 1.00 5.31 C ATOM 261 O ASP A 19 -15.770 -0.929 -13.668 1.00 60.23 O ATOM 262 CB ASP A 19 -13.985 1.671 -12.829 1.00 31.33 C ATOM 263 CG ASP A 19 -14.692 2.633 -13.715 1.00 72.05 C ATOM 264 OD1 ASP A 19 -15.273 3.589 -13.176 1.00 22.15 O ATOM 265 OD2 ASP A 19 -14.598 2.531 -14.955 1.00 30.45 O ATOM 0 H ASP A 19 -13.639 1.125 -10.565 1.00 33.10 H new ATOM 0 HA ASP A 19 -15.915 0.992 -12.139 1.00 43.13 H new ATOM 0 HB2 ASP A 19 -13.457 2.229 -12.056 1.00 31.33 H new ATOM 0 HB3 ASP A 19 -13.231 1.145 -13.414 1.00 31.33 H new ATOM 270 N ALA A 20 -13.741 -1.334 -12.828 1.00 72.22 N ATOM 271 CA ALA A 20 -13.575 -2.606 -13.510 1.00 44.11 C ATOM 272 C ALA A 20 -14.698 -3.589 -13.137 1.00 25.34 C ATOM 273 O ALA A 20 -15.168 -4.360 -13.965 1.00 65.42 O ATOM 274 CB ALA A 20 -12.217 -3.199 -13.153 1.00 25.14 C ATOM 0 H ALA A 20 -12.946 -1.061 -12.250 1.00 72.22 H new ATOM 0 HA ALA A 20 -13.628 -2.433 -14.585 1.00 44.11 H new ATOM 0 HB1 ALA A 20 -12.091 -4.154 -13.664 1.00 25.14 H new ATOM 0 HB2 ALA A 20 -11.428 -2.514 -13.464 1.00 25.14 H new ATOM 0 HB3 ALA A 20 -12.160 -3.354 -12.076 1.00 25.14 H new ATOM 280 N PHE A 21 -15.081 -3.564 -11.883 1.00 71.31 N ATOM 281 CA PHE A 21 -16.088 -4.457 -11.350 1.00 73.00 C ATOM 282 C PHE A 21 -17.451 -3.763 -11.155 1.00 71.34 C ATOM 283 O PHE A 21 -18.351 -4.333 -10.548 1.00 21.23 O ATOM 284 CB PHE A 21 -15.588 -5.046 -10.036 1.00 13.42 C ATOM 285 CG PHE A 21 -14.267 -5.765 -10.170 1.00 30.04 C ATOM 286 CD1 PHE A 21 -14.193 -6.999 -10.786 1.00 52.20 C ATOM 287 CD2 PHE A 21 -13.099 -5.194 -9.690 1.00 25.11 C ATOM 288 CE1 PHE A 21 -12.982 -7.649 -10.920 1.00 53.33 C ATOM 289 CE2 PHE A 21 -11.886 -5.839 -9.822 1.00 73.04 C ATOM 290 CZ PHE A 21 -11.829 -7.068 -10.437 1.00 65.54 C ATOM 0 H PHE A 21 -14.699 -2.916 -11.194 1.00 71.31 H new ATOM 0 HA PHE A 21 -16.251 -5.253 -12.076 1.00 73.00 H new ATOM 0 HB2 PHE A 21 -15.486 -4.246 -9.302 1.00 13.42 H new ATOM 0 HB3 PHE A 21 -16.334 -5.740 -9.649 1.00 13.42 H new ATOM 0 HD1 PHE A 21 -15.092 -7.461 -11.167 1.00 52.20 H new ATOM 0 HD2 PHE A 21 -13.139 -4.230 -9.205 1.00 25.11 H new ATOM 0 HE1 PHE A 21 -12.938 -8.614 -11.404 1.00 53.33 H new ATOM 0 HE2 PHE A 21 -10.984 -5.380 -9.444 1.00 73.04 H new ATOM 0 HZ PHE A 21 -10.882 -7.577 -10.541 1.00 65.54 H new ATOM 300 N ASP A 22 -17.597 -2.559 -11.666 1.00 45.54 N ATOM 301 CA ASP A 22 -18.806 -1.767 -11.426 1.00 43.54 C ATOM 302 C ASP A 22 -19.451 -1.317 -12.721 1.00 21.14 C ATOM 303 O ASP A 22 -18.788 -1.164 -13.740 1.00 10.21 O ATOM 304 CB ASP A 22 -18.508 -0.555 -10.518 1.00 44.34 C ATOM 305 CG ASP A 22 -19.692 0.373 -10.366 1.00 40.05 C ATOM 306 OD1 ASP A 22 -20.692 -0.021 -9.757 1.00 5.15 O ATOM 307 OD2 ASP A 22 -19.648 1.489 -10.903 1.00 54.41 O ATOM 0 H ASP A 22 -16.900 -2.099 -12.251 1.00 45.54 H new ATOM 0 HA ASP A 22 -19.515 -2.415 -10.911 1.00 43.54 H new ATOM 0 HB2 ASP A 22 -18.204 -0.911 -9.534 1.00 44.34 H new ATOM 0 HB3 ASP A 22 -17.667 0.002 -10.930 1.00 44.34 H new ATOM 312 N GLY A 23 -20.751 -1.140 -12.682 1.00 63.53 N ATOM 313 CA GLY A 23 -21.467 -0.745 -13.852 1.00 10.31 C ATOM 314 C GLY A 23 -22.025 0.665 -13.782 1.00 45.00 C ATOM 315 O GLY A 23 -22.804 1.050 -14.654 1.00 34.45 O ATOM 0 H GLY A 23 -21.326 -1.265 -11.849 1.00 63.53 H new ATOM 0 HA2 GLY A 23 -20.805 -0.821 -14.715 1.00 10.31 H new ATOM 0 HA3 GLY A 23 -22.288 -1.443 -14.017 1.00 10.31 H new ATOM 319 N ASN A 24 -21.661 1.448 -12.772 1.00 61.14 N ATOM 320 CA ASN A 24 -22.250 2.777 -12.669 1.00 41.11 C ATOM 321 C ASN A 24 -21.176 3.865 -12.834 1.00 53.55 C ATOM 322 O ASN A 24 -21.497 4.969 -13.285 1.00 42.42 O ATOM 323 CB ASN A 24 -22.972 2.896 -11.294 1.00 34.54 C ATOM 324 CG ASN A 24 -23.932 4.101 -11.102 1.00 2.30 C ATOM 325 OD1 ASN A 24 -23.652 5.244 -11.687 1.00 23.22 O flip ATOM 326 ND2 ASN A 24 -24.931 3.982 -10.399 1.00 34.55 N flip ATOM 0 H ASN A 24 -20.991 1.201 -12.043 1.00 61.14 H new ATOM 0 HA ASN A 24 -22.976 2.922 -13.469 1.00 41.11 H new ATOM 0 HB2 ASN A 24 -23.541 1.981 -11.130 1.00 34.54 H new ATOM 0 HB3 ASN A 24 -22.211 2.942 -10.515 1.00 34.54 H new ATOM 0 HD21 ASN A 24 -25.136 3.089 -9.951 1.00 34.55 H new ATOM 0 HD22 ASN A 24 -25.556 4.776 -10.263 1.00 34.55 H new ATOM 333 N HIS A 25 -19.895 3.532 -12.540 1.00 53.24 N ATOM 334 CA HIS A 25 -18.723 4.434 -12.784 1.00 62.03 C ATOM 335 C HIS A 25 -18.926 5.829 -12.082 1.00 22.13 C ATOM 336 O HIS A 25 -18.252 6.810 -12.375 1.00 2.53 O ATOM 337 CB HIS A 25 -18.544 4.511 -14.339 1.00 5.23 C ATOM 338 CG HIS A 25 -17.395 5.318 -14.944 1.00 1.11 C ATOM 339 ND1 HIS A 25 -16.279 4.740 -15.518 1.00 4.24 N ATOM 340 CD2 HIS A 25 -17.268 6.649 -15.178 1.00 3.32 C ATOM 341 CE1 HIS A 25 -15.547 5.691 -16.073 1.00 51.40 C ATOM 342 NE2 HIS A 25 -16.090 6.877 -15.896 1.00 60.32 N ATOM 0 H HIS A 25 -19.637 2.635 -12.128 1.00 53.24 H new ATOM 0 HA HIS A 25 -17.804 4.050 -12.341 1.00 62.03 H new ATOM 0 HB2 HIS A 25 -18.447 3.488 -14.704 1.00 5.23 H new ATOM 0 HB3 HIS A 25 -19.471 4.910 -14.751 1.00 5.23 H new ATOM 0 HD1 HIS A 25 -16.057 3.745 -15.514 1.00 4.24 H new ATOM 0 HD2 HIS A 25 -17.965 7.410 -14.860 1.00 3.32 H new ATOM 0 HE1 HIS A 25 -14.622 5.517 -16.603 1.00 51.40 H new ATOM 350 N ASP A 26 -19.783 5.825 -11.065 1.00 21.14 N ATOM 351 CA ASP A 26 -20.267 7.049 -10.368 1.00 61.43 C ATOM 352 C ASP A 26 -19.234 7.654 -9.419 1.00 70.22 C ATOM 353 O ASP A 26 -19.181 8.862 -9.216 1.00 30.31 O ATOM 354 CB ASP A 26 -21.539 6.692 -9.585 1.00 65.35 C ATOM 355 CG ASP A 26 -22.137 7.853 -8.814 1.00 15.25 C ATOM 356 OD1 ASP A 26 -22.974 8.580 -9.390 1.00 23.30 O ATOM 357 OD2 ASP A 26 -21.794 8.009 -7.623 1.00 50.24 O ATOM 0 H ASP A 26 -20.177 4.965 -10.683 1.00 21.14 H new ATOM 0 HA ASP A 26 -20.465 7.804 -11.129 1.00 61.43 H new ATOM 0 HB2 ASP A 26 -22.286 6.309 -10.281 1.00 65.35 H new ATOM 0 HB3 ASP A 26 -21.310 5.886 -8.888 1.00 65.35 H new ATOM 362 N GLY A 27 -18.352 6.834 -8.935 1.00 44.12 N ATOM 363 CA GLY A 27 -17.441 7.267 -7.899 1.00 13.42 C ATOM 364 C GLY A 27 -17.744 6.546 -6.625 1.00 21.11 C ATOM 365 O GLY A 27 -16.909 6.474 -5.720 1.00 51.20 O ATOM 0 H GLY A 27 -18.237 5.865 -9.233 1.00 44.12 H new ATOM 0 HA2 GLY A 27 -16.412 7.072 -8.202 1.00 13.42 H new ATOM 0 HA3 GLY A 27 -17.531 8.343 -7.749 1.00 13.42 H new ATOM 369 N ILE A 28 -18.923 5.990 -6.555 1.00 32.34 N ATOM 370 CA ILE A 28 -19.297 5.165 -5.442 1.00 1.11 C ATOM 371 C ILE A 28 -19.597 3.762 -5.983 1.00 14.23 C ATOM 372 O ILE A 28 -19.740 3.586 -7.195 1.00 65.45 O ATOM 373 CB ILE A 28 -20.570 5.701 -4.695 1.00 43.33 C ATOM 374 CG1 ILE A 28 -21.831 5.533 -5.577 1.00 45.11 C ATOM 375 CG2 ILE A 28 -20.388 7.181 -4.360 1.00 14.25 C ATOM 376 CD1 ILE A 28 -23.127 5.941 -4.898 1.00 43.05 C ATOM 0 H ILE A 28 -19.647 6.096 -7.265 1.00 32.34 H new ATOM 0 HA ILE A 28 -18.477 5.164 -4.724 1.00 1.11 H new ATOM 0 HB ILE A 28 -20.698 5.126 -3.778 1.00 43.33 H new ATOM 0 HG12 ILE A 28 -21.707 6.125 -6.484 1.00 45.11 H new ATOM 0 HG13 ILE A 28 -21.908 4.490 -5.885 1.00 45.11 H new ATOM 0 HG21 ILE A 28 -21.274 7.548 -3.842 1.00 14.25 H new ATOM 0 HG22 ILE A 28 -19.515 7.304 -3.719 1.00 14.25 H new ATOM 0 HG23 ILE A 28 -20.245 7.747 -5.280 1.00 14.25 H new ATOM 0 HD11 ILE A 28 -23.960 5.792 -5.585 1.00 43.05 H new ATOM 0 HD12 ILE A 28 -23.278 5.332 -4.007 1.00 43.05 H new ATOM 0 HD13 ILE A 28 -23.074 6.992 -4.615 1.00 43.05 H new ATOM 388 N LEU A 29 -19.674 2.787 -5.111 1.00 35.00 N ATOM 389 CA LEU A 29 -20.031 1.456 -5.503 1.00 54.02 C ATOM 390 C LEU A 29 -21.142 0.928 -4.570 1.00 40.51 C ATOM 391 O LEU A 29 -21.172 1.236 -3.348 1.00 21.11 O ATOM 392 CB LEU A 29 -18.796 0.535 -5.468 1.00 32.14 C ATOM 393 CG LEU A 29 -18.644 -0.445 -6.654 1.00 1.35 C ATOM 394 CD1 LEU A 29 -17.438 -1.326 -6.486 1.00 3.54 C ATOM 395 CD2 LEU A 29 -19.855 -1.308 -6.814 1.00 51.24 C ATOM 0 H LEU A 29 -19.491 2.898 -4.114 1.00 35.00 H new ATOM 0 HA LEU A 29 -20.407 1.468 -6.526 1.00 54.02 H new ATOM 0 HB2 LEU A 29 -17.904 1.159 -5.422 1.00 32.14 H new ATOM 0 HB3 LEU A 29 -18.827 -0.045 -4.546 1.00 32.14 H new ATOM 0 HG LEU A 29 -18.522 0.168 -7.547 1.00 1.35 H new ATOM 0 HD11 LEU A 29 -17.361 -2.003 -7.337 1.00 3.54 H new ATOM 0 HD12 LEU A 29 -16.541 -0.709 -6.431 1.00 3.54 H new ATOM 0 HD13 LEU A 29 -17.536 -1.906 -5.569 1.00 3.54 H new ATOM 0 HD21 LEU A 29 -19.711 -1.984 -7.657 1.00 51.24 H new ATOM 0 HD22 LEU A 29 -20.010 -1.890 -5.905 1.00 51.24 H new ATOM 0 HD23 LEU A 29 -20.727 -0.681 -6.996 1.00 51.24 H new ATOM 407 N ASP A 30 -22.051 0.181 -5.147 1.00 71.43 N ATOM 408 CA ASP A 30 -23.137 -0.474 -4.425 1.00 74.55 C ATOM 409 C ASP A 30 -22.614 -1.703 -3.654 1.00 71.50 C ATOM 410 O ASP A 30 -21.530 -2.213 -3.952 1.00 52.32 O ATOM 411 CB ASP A 30 -24.250 -0.893 -5.415 1.00 51.21 C ATOM 412 CG ASP A 30 -25.279 -1.797 -4.775 1.00 20.14 C ATOM 413 OD1 ASP A 30 -25.979 -1.347 -3.868 1.00 35.14 O ATOM 414 OD2 ASP A 30 -25.274 -2.999 -5.084 1.00 73.32 O ATOM 0 H ASP A 30 -22.065 0.002 -6.151 1.00 71.43 H new ATOM 0 HA ASP A 30 -23.551 0.230 -3.703 1.00 74.55 H new ATOM 0 HB2 ASP A 30 -24.744 -0.001 -5.801 1.00 51.21 H new ATOM 0 HB3 ASP A 30 -23.801 -1.404 -6.267 1.00 51.21 H new ATOM 419 N LYS A 31 -23.401 -2.173 -2.691 1.00 3.12 N ATOM 420 CA LYS A 31 -23.080 -3.316 -1.854 1.00 22.32 C ATOM 421 C LYS A 31 -22.859 -4.559 -2.718 1.00 34.33 C ATOM 422 O LYS A 31 -21.802 -5.209 -2.649 1.00 63.13 O ATOM 423 CB LYS A 31 -24.268 -3.592 -0.918 1.00 13.21 C ATOM 424 CG LYS A 31 -24.047 -4.696 0.114 1.00 63.12 C ATOM 425 CD LYS A 31 -25.362 -5.070 0.795 1.00 21.34 C ATOM 426 CE LYS A 31 -25.149 -5.799 2.122 1.00 31.23 C ATOM 427 NZ LYS A 31 -24.360 -7.043 2.026 1.00 44.01 N ATOM 0 H LYS A 31 -24.304 -1.755 -2.468 1.00 3.12 H new ATOM 0 HA LYS A 31 -22.175 -3.097 -1.287 1.00 22.32 H new ATOM 0 HB2 LYS A 31 -24.515 -2.670 -0.391 1.00 13.21 H new ATOM 0 HB3 LYS A 31 -25.134 -3.854 -1.526 1.00 13.21 H new ATOM 0 HG2 LYS A 31 -23.620 -5.574 -0.371 1.00 63.12 H new ATOM 0 HG3 LYS A 31 -23.327 -4.363 0.861 1.00 63.12 H new ATOM 0 HD2 LYS A 31 -25.946 -4.167 0.970 1.00 21.34 H new ATOM 0 HD3 LYS A 31 -25.946 -5.703 0.127 1.00 21.34 H new ATOM 0 HE2 LYS A 31 -24.651 -5.122 2.816 1.00 31.23 H new ATOM 0 HE3 LYS A 31 -26.123 -6.035 2.551 1.00 31.23 H new ATOM 0 HZ1 LYS A 31 -23.951 -7.267 2.956 1.00 44.01 H new ATOM 0 HZ2 LYS A 31 -24.977 -7.823 1.722 1.00 44.01 H new ATOM 0 HZ3 LYS A 31 -23.595 -6.916 1.333 1.00 44.01 H new ATOM 441 N LEU A 32 -23.827 -4.832 -3.580 1.00 12.22 N ATOM 442 CA LEU A 32 -23.842 -6.053 -4.345 1.00 42.11 C ATOM 443 C LEU A 32 -22.687 -6.130 -5.297 1.00 23.50 C ATOM 444 O LEU A 32 -22.050 -7.164 -5.413 1.00 4.54 O ATOM 445 CB LEU A 32 -25.183 -6.289 -5.089 1.00 4.15 C ATOM 446 CG LEU A 32 -26.437 -6.633 -4.240 1.00 52.11 C ATOM 447 CD1 LEU A 32 -26.190 -7.838 -3.342 1.00 41.32 C ATOM 448 CD2 LEU A 32 -26.939 -5.440 -3.432 1.00 21.33 C ATOM 0 H LEU A 32 -24.616 -4.212 -3.763 1.00 12.22 H new ATOM 0 HA LEU A 32 -23.738 -6.857 -3.616 1.00 42.11 H new ATOM 0 HB2 LEU A 32 -25.407 -5.392 -5.667 1.00 4.15 H new ATOM 0 HB3 LEU A 32 -25.031 -7.098 -5.803 1.00 4.15 H new ATOM 0 HG LEU A 32 -27.226 -6.894 -4.945 1.00 52.11 H new ATOM 0 HD11 LEU A 32 -27.088 -8.050 -2.762 1.00 41.32 H new ATOM 0 HD12 LEU A 32 -25.941 -8.704 -3.955 1.00 41.32 H new ATOM 0 HD13 LEU A 32 -25.363 -7.624 -2.665 1.00 41.32 H new ATOM 0 HD21 LEU A 32 -27.817 -5.734 -2.856 1.00 21.33 H new ATOM 0 HD22 LEU A 32 -26.155 -5.105 -2.753 1.00 21.33 H new ATOM 0 HD23 LEU A 32 -27.204 -4.628 -4.109 1.00 21.33 H new ATOM 460 N GLU A 33 -22.362 -5.067 -5.940 1.00 62.34 N ATOM 461 CA GLU A 33 -21.296 -5.176 -6.876 1.00 12.45 C ATOM 462 C GLU A 33 -19.911 -4.947 -6.293 1.00 1.14 C ATOM 463 O GLU A 33 -18.933 -5.494 -6.795 1.00 61.12 O ATOM 464 CB GLU A 33 -21.587 -4.510 -8.202 1.00 54.54 C ATOM 465 CG GLU A 33 -22.793 -5.179 -8.895 1.00 50.05 C ATOM 466 CD GLU A 33 -22.716 -6.727 -8.844 1.00 44.45 C ATOM 467 OE1 GLU A 33 -21.857 -7.310 -9.521 1.00 52.44 O ATOM 468 OE2 GLU A 33 -23.490 -7.367 -8.060 1.00 44.45 O ATOM 0 H GLU A 33 -22.794 -4.148 -5.846 1.00 62.34 H new ATOM 0 HA GLU A 33 -21.248 -6.233 -7.136 1.00 12.45 H new ATOM 0 HB2 GLU A 33 -21.793 -3.451 -8.045 1.00 54.54 H new ATOM 0 HB3 GLU A 33 -20.710 -4.573 -8.846 1.00 54.54 H new ATOM 0 HG2 GLU A 33 -23.714 -4.847 -8.416 1.00 50.05 H new ATOM 0 HG3 GLU A 33 -22.839 -4.854 -9.934 1.00 50.05 H new ATOM 475 N PHE A 34 -19.817 -4.229 -5.164 1.00 72.42 N ATOM 476 CA PHE A 34 -18.522 -4.106 -4.461 1.00 72.12 C ATOM 477 C PHE A 34 -18.159 -5.486 -3.948 1.00 0.33 C ATOM 478 O PHE A 34 -16.989 -5.869 -3.860 1.00 51.23 O ATOM 479 CB PHE A 34 -18.602 -3.079 -3.318 1.00 54.43 C ATOM 480 CG PHE A 34 -17.294 -2.774 -2.606 1.00 22.40 C ATOM 481 CD1 PHE A 34 -16.208 -2.270 -3.301 1.00 22.21 C ATOM 482 CD2 PHE A 34 -17.170 -2.971 -1.239 1.00 24.01 C ATOM 483 CE1 PHE A 34 -15.030 -1.970 -2.661 1.00 51.14 C ATOM 484 CE2 PHE A 34 -15.996 -2.667 -0.581 1.00 23.11 C ATOM 485 CZ PHE A 34 -14.922 -2.166 -1.289 1.00 21.04 C ATOM 0 H PHE A 34 -20.595 -3.736 -4.725 1.00 72.42 H new ATOM 0 HA PHE A 34 -17.751 -3.741 -5.139 1.00 72.12 H new ATOM 0 HB2 PHE A 34 -19.000 -2.147 -3.720 1.00 54.43 H new ATOM 0 HB3 PHE A 34 -19.319 -3.440 -2.581 1.00 54.43 H new ATOM 0 HD1 PHE A 34 -16.288 -2.110 -4.366 1.00 22.21 H new ATOM 0 HD2 PHE A 34 -18.005 -3.368 -0.681 1.00 24.01 H new ATOM 0 HE1 PHE A 34 -14.191 -1.584 -3.221 1.00 51.14 H new ATOM 0 HE2 PHE A 34 -15.917 -2.821 0.485 1.00 23.11 H new ATOM 0 HZ PHE A 34 -14.001 -1.927 -0.779 1.00 21.04 H new ATOM 495 N ARG A 35 -19.190 -6.234 -3.663 1.00 54.31 N ATOM 496 CA ARG A 35 -19.095 -7.624 -3.334 1.00 12.34 C ATOM 497 C ARG A 35 -18.438 -8.400 -4.485 1.00 42.04 C ATOM 498 O ARG A 35 -17.534 -9.206 -4.257 1.00 24.41 O ATOM 499 CB ARG A 35 -20.493 -8.107 -3.080 1.00 65.34 C ATOM 500 CG ARG A 35 -20.679 -9.570 -2.850 1.00 43.43 C ATOM 501 CD ARG A 35 -22.140 -9.883 -3.017 1.00 64.30 C ATOM 502 NE ARG A 35 -22.588 -9.539 -4.399 1.00 74.12 N ATOM 503 CZ ARG A 35 -23.511 -10.145 -5.132 1.00 31.42 C ATOM 504 NH1 ARG A 35 -24.088 -11.269 -4.690 1.00 54.11 N ATOM 505 NH2 ARG A 35 -23.838 -9.629 -6.346 1.00 14.13 N ATOM 0 H ARG A 35 -20.146 -5.879 -3.654 1.00 54.31 H new ATOM 0 HA ARG A 35 -18.474 -7.781 -2.452 1.00 12.34 H new ATOM 0 HB2 ARG A 35 -20.881 -7.577 -2.210 1.00 65.34 H new ATOM 0 HB3 ARG A 35 -21.110 -7.818 -3.931 1.00 65.34 H new ATOM 0 HG2 ARG A 35 -20.082 -10.146 -3.557 1.00 43.43 H new ATOM 0 HG3 ARG A 35 -20.342 -9.845 -1.851 1.00 43.43 H new ATOM 0 HD2 ARG A 35 -22.317 -10.941 -2.823 1.00 64.30 H new ATOM 0 HD3 ARG A 35 -22.725 -9.323 -2.288 1.00 64.30 H new ATOM 0 HE ARG A 35 -22.127 -8.739 -4.832 1.00 74.12 H new ATOM 0 HH11 ARG A 35 -23.818 -11.660 -3.788 1.00 54.11 H new ATOM 0 HH12 ARG A 35 -24.798 -11.734 -5.255 1.00 54.11 H new ATOM 0 HH21 ARG A 35 -23.375 -8.785 -6.683 1.00 14.13 H new ATOM 0 HH22 ARG A 35 -24.547 -10.086 -6.920 1.00 14.13 H new ATOM 519 N SER A 36 -18.825 -8.089 -5.718 1.00 31.44 N ATOM 520 CA SER A 36 -18.300 -8.782 -6.874 1.00 24.24 C ATOM 521 C SER A 36 -16.858 -8.341 -7.113 1.00 11.23 C ATOM 522 O SER A 36 -16.007 -9.137 -7.537 1.00 51.53 O ATOM 523 CB SER A 36 -19.183 -8.497 -8.084 1.00 3.24 C ATOM 524 OG SER A 36 -20.528 -8.818 -7.779 1.00 74.32 O ATOM 0 H SER A 36 -19.503 -7.358 -5.936 1.00 31.44 H new ATOM 0 HA SER A 36 -18.303 -9.859 -6.704 1.00 24.24 H new ATOM 0 HB2 SER A 36 -19.104 -7.447 -8.365 1.00 3.24 H new ATOM 0 HB3 SER A 36 -18.844 -9.082 -8.939 1.00 3.24 H new ATOM 0 HG SER A 36 -21.097 -8.612 -8.550 1.00 74.32 H new ATOM 530 N CYS A 37 -16.593 -7.082 -6.779 1.00 43.21 N ATOM 531 CA CYS A 37 -15.275 -6.496 -6.849 1.00 51.35 C ATOM 532 C CYS A 37 -14.298 -7.306 -5.993 1.00 72.13 C ATOM 533 O CYS A 37 -13.350 -7.874 -6.512 1.00 71.01 O ATOM 534 CB CYS A 37 -15.335 -5.020 -6.393 1.00 10.02 C ATOM 535 SG CYS A 37 -13.766 -4.121 -6.450 1.00 72.14 S ATOM 0 H CYS A 37 -17.308 -6.435 -6.447 1.00 43.21 H new ATOM 0 HA CYS A 37 -14.918 -6.519 -7.879 1.00 51.35 H new ATOM 0 HB2 CYS A 37 -16.057 -4.494 -7.017 1.00 10.02 H new ATOM 0 HB3 CYS A 37 -15.714 -4.989 -5.372 1.00 10.02 H new ATOM 0 HG CYS A 37 -13.139 -4.412 -7.551 1.00 72.14 H new ATOM 541 N LEU A 38 -14.592 -7.432 -4.701 1.00 12.22 N ATOM 542 CA LEU A 38 -13.721 -8.171 -3.768 1.00 0.34 C ATOM 543 C LEU A 38 -13.620 -9.658 -4.112 1.00 71.50 C ATOM 544 O LEU A 38 -12.589 -10.310 -3.844 1.00 11.44 O ATOM 545 CB LEU A 38 -14.145 -7.973 -2.294 1.00 43.44 C ATOM 546 CG LEU A 38 -13.728 -6.652 -1.604 1.00 23.44 C ATOM 547 CD1 LEU A 38 -14.253 -5.438 -2.318 1.00 20.24 C ATOM 548 CD2 LEU A 38 -14.172 -6.639 -0.152 1.00 50.14 C ATOM 0 H LEU A 38 -15.426 -7.034 -4.269 1.00 12.22 H new ATOM 0 HA LEU A 38 -12.725 -7.743 -3.887 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -15.231 -8.052 -2.242 1.00 43.44 H new ATOM 0 HB3 LEU A 38 -13.738 -8.800 -1.712 1.00 43.44 H new ATOM 0 HG LEU A 38 -12.640 -6.607 -1.646 1.00 23.44 H new ATOM 0 HD11 LEU A 38 -13.931 -4.539 -1.792 1.00 20.24 H new ATOM 0 HD12 LEU A 38 -13.867 -5.420 -3.337 1.00 20.24 H new ATOM 0 HD13 LEU A 38 -15.342 -5.473 -2.343 1.00 20.24 H new ATOM 0 HD21 LEU A 38 -13.868 -5.701 0.313 1.00 50.14 H new ATOM 0 HD22 LEU A 38 -15.257 -6.734 -0.102 1.00 50.14 H new ATOM 0 HD23 LEU A 38 -13.710 -7.473 0.377 1.00 50.14 H new ATOM 560 N SER A 39 -14.664 -10.192 -4.704 1.00 32.45 N ATOM 561 CA SER A 39 -14.670 -11.580 -5.105 1.00 43.54 C ATOM 562 C SER A 39 -13.720 -11.795 -6.289 1.00 71.43 C ATOM 563 O SER A 39 -12.751 -12.539 -6.193 1.00 13.34 O ATOM 564 CB SER A 39 -16.092 -12.023 -5.461 1.00 45.54 C ATOM 565 OG SER A 39 -16.981 -11.793 -4.380 1.00 1.05 O ATOM 0 H SER A 39 -15.522 -9.684 -4.919 1.00 32.45 H new ATOM 0 HA SER A 39 -14.321 -12.189 -4.271 1.00 43.54 H new ATOM 0 HB2 SER A 39 -16.436 -11.480 -6.341 1.00 45.54 H new ATOM 0 HB3 SER A 39 -16.093 -13.082 -5.719 1.00 45.54 H new ATOM 0 HG SER A 39 -17.482 -10.966 -4.539 1.00 1.05 H new ATOM 571 N SER A 40 -13.941 -11.060 -7.367 1.00 32.53 N ATOM 572 CA SER A 40 -13.168 -11.246 -8.573 1.00 73.44 C ATOM 573 C SER A 40 -11.773 -10.595 -8.468 1.00 14.14 C ATOM 574 O SER A 40 -10.933 -10.780 -9.341 1.00 21.41 O ATOM 575 CB SER A 40 -13.956 -10.733 -9.788 1.00 30.13 C ATOM 576 OG SER A 40 -13.290 -11.014 -11.007 1.00 14.11 O ATOM 0 H SER A 40 -14.651 -10.330 -7.426 1.00 32.53 H new ATOM 0 HA SER A 40 -12.994 -12.314 -8.708 1.00 73.44 H new ATOM 0 HB2 SER A 40 -14.944 -11.193 -9.800 1.00 30.13 H new ATOM 0 HB3 SER A 40 -14.106 -9.657 -9.696 1.00 30.13 H new ATOM 0 HG SER A 40 -12.333 -11.137 -10.836 1.00 14.11 H new ATOM 582 N MET A 41 -11.551 -9.818 -7.410 1.00 2.12 N ATOM 583 CA MET A 41 -10.232 -9.241 -7.143 1.00 2.04 C ATOM 584 C MET A 41 -9.325 -10.315 -6.541 1.00 11.51 C ATOM 585 O MET A 41 -8.105 -10.214 -6.589 1.00 1.31 O ATOM 586 CB MET A 41 -10.347 -8.059 -6.164 1.00 15.40 C ATOM 587 CG MET A 41 -9.044 -7.304 -5.911 1.00 71.03 C ATOM 588 SD MET A 41 -9.207 -6.006 -4.658 1.00 14.33 S ATOM 589 CE MET A 41 -10.466 -4.949 -5.379 1.00 50.14 C ATOM 0 H MET A 41 -12.265 -9.573 -6.724 1.00 2.12 H new ATOM 0 HA MET A 41 -9.809 -8.878 -8.080 1.00 2.04 H new ATOM 0 HB2 MET A 41 -11.087 -7.358 -6.549 1.00 15.40 H new ATOM 0 HB3 MET A 41 -10.725 -8.430 -5.212 1.00 15.40 H new ATOM 0 HG2 MET A 41 -8.277 -8.011 -5.596 1.00 71.03 H new ATOM 0 HG3 MET A 41 -8.702 -6.858 -6.845 1.00 71.03 H new ATOM 0 HE1 MET A 41 -10.255 -3.909 -5.129 1.00 50.14 H new ATOM 0 HE2 MET A 41 -10.465 -5.069 -6.462 1.00 50.14 H new ATOM 0 HE3 MET A 41 -11.443 -5.226 -4.984 1.00 50.14 H new ATOM 599 N GLY A 42 -9.942 -11.348 -5.991 1.00 31.44 N ATOM 600 CA GLY A 42 -9.189 -12.412 -5.376 1.00 74.14 C ATOM 601 C GLY A 42 -9.075 -12.238 -3.881 1.00 64.14 C ATOM 602 O GLY A 42 -8.184 -12.794 -3.255 1.00 2.01 O ATOM 0 H GLY A 42 -10.955 -11.466 -5.961 1.00 31.44 H new ATOM 0 HA2 GLY A 42 -9.668 -13.367 -5.594 1.00 74.14 H new ATOM 0 HA3 GLY A 42 -8.191 -12.449 -5.813 1.00 74.14 H new ATOM 606 N LEU A 43 -9.976 -11.462 -3.308 1.00 5.31 N ATOM 607 CA LEU A 43 -9.975 -11.250 -1.875 1.00 42.32 C ATOM 608 C LEU A 43 -10.848 -12.241 -1.202 1.00 53.24 C ATOM 609 O LEU A 43 -10.425 -12.975 -0.316 1.00 21.02 O ATOM 610 CB LEU A 43 -10.469 -9.852 -1.520 1.00 3.54 C ATOM 611 CG LEU A 43 -9.467 -8.703 -1.700 1.00 30.44 C ATOM 612 CD1 LEU A 43 -10.116 -7.371 -1.397 1.00 23.25 C ATOM 613 CD2 LEU A 43 -8.236 -8.903 -0.820 1.00 34.51 C ATOM 0 H LEU A 43 -10.714 -10.970 -3.811 1.00 5.31 H new ATOM 0 HA LEU A 43 -8.946 -11.365 -1.534 1.00 42.32 H new ATOM 0 HB2 LEU A 43 -11.348 -9.636 -2.128 1.00 3.54 H new ATOM 0 HB3 LEU A 43 -10.795 -9.860 -0.480 1.00 3.54 H new ATOM 0 HG LEU A 43 -9.146 -8.704 -2.742 1.00 30.44 H new ATOM 0 HD11 LEU A 43 -9.387 -6.572 -1.531 1.00 23.25 H new ATOM 0 HD12 LEU A 43 -10.956 -7.213 -2.074 1.00 23.25 H new ATOM 0 HD13 LEU A 43 -10.474 -7.366 -0.367 1.00 23.25 H new ATOM 0 HD21 LEU A 43 -7.544 -8.074 -0.969 1.00 34.51 H new ATOM 0 HD22 LEU A 43 -8.539 -8.940 0.226 1.00 34.51 H new ATOM 0 HD23 LEU A 43 -7.745 -9.838 -1.089 1.00 34.51 H new ATOM 625 N ILE A 44 -12.071 -12.257 -1.608 1.00 44.14 N ATOM 626 CA ILE A 44 -13.015 -13.104 -0.992 1.00 4.33 C ATOM 627 C ILE A 44 -13.429 -14.213 -1.955 1.00 44.23 C ATOM 628 O ILE A 44 -13.966 -13.955 -3.030 1.00 72.01 O ATOM 629 CB ILE A 44 -14.229 -12.289 -0.432 1.00 33.23 C ATOM 630 CG1 ILE A 44 -15.000 -11.562 -1.545 1.00 35.23 C ATOM 631 CG2 ILE A 44 -13.768 -11.305 0.648 1.00 23.23 C ATOM 632 CD1 ILE A 44 -16.164 -10.721 -1.071 1.00 24.22 C ATOM 0 H ILE A 44 -12.436 -11.686 -2.370 1.00 44.14 H new ATOM 0 HA ILE A 44 -12.556 -13.584 -0.128 1.00 4.33 H new ATOM 0 HB ILE A 44 -14.918 -13.002 0.020 1.00 33.23 H new ATOM 0 HG12 ILE A 44 -14.306 -10.921 -2.089 1.00 35.23 H new ATOM 0 HG13 ILE A 44 -15.371 -12.303 -2.253 1.00 35.23 H new ATOM 0 HG21 ILE A 44 -14.627 -10.749 1.024 1.00 23.23 H new ATOM 0 HG22 ILE A 44 -13.305 -11.855 1.467 1.00 23.23 H new ATOM 0 HG23 ILE A 44 -13.044 -10.610 0.222 1.00 23.23 H new ATOM 0 HD11 ILE A 44 -16.644 -10.249 -1.928 1.00 24.22 H new ATOM 0 HD12 ILE A 44 -16.885 -11.355 -0.555 1.00 24.22 H new ATOM 0 HD13 ILE A 44 -15.803 -9.952 -0.388 1.00 24.22 H new ATOM 644 N ASP A 45 -13.089 -15.427 -1.599 1.00 50.21 N ATOM 645 CA ASP A 45 -13.403 -16.590 -2.420 1.00 43.10 C ATOM 646 C ASP A 45 -14.526 -17.385 -1.763 1.00 4.34 C ATOM 647 O ASP A 45 -14.762 -17.253 -0.556 1.00 2.52 O ATOM 648 CB ASP A 45 -12.143 -17.461 -2.645 1.00 24.23 C ATOM 649 CG ASP A 45 -12.397 -18.682 -3.528 1.00 22.10 C ATOM 650 OD1 ASP A 45 -13.270 -18.598 -4.428 1.00 72.40 O ATOM 651 OD2 ASP A 45 -11.742 -19.705 -3.325 1.00 14.14 O ATOM 0 H ASP A 45 -12.589 -15.646 -0.737 1.00 50.21 H new ATOM 0 HA ASP A 45 -13.742 -16.259 -3.402 1.00 43.10 H new ATOM 0 HB2 ASP A 45 -11.364 -16.849 -3.100 1.00 24.23 H new ATOM 0 HB3 ASP A 45 -11.763 -17.794 -1.679 1.00 24.23 H new ATOM 656 N ILE A 46 -15.153 -18.255 -2.521 1.00 62.11 N ATOM 657 CA ILE A 46 -16.353 -18.995 -2.107 1.00 10.21 C ATOM 658 C ILE A 46 -15.973 -20.186 -1.160 1.00 52.54 C ATOM 659 O ILE A 46 -16.752 -21.118 -0.950 1.00 32.03 O ATOM 660 CB ILE A 46 -17.128 -19.511 -3.383 1.00 2.21 C ATOM 661 CG1 ILE A 46 -17.229 -18.395 -4.455 1.00 52.35 C ATOM 662 CG2 ILE A 46 -18.544 -19.994 -3.029 1.00 31.12 C ATOM 663 CD1 ILE A 46 -17.968 -17.137 -4.010 1.00 63.22 C ATOM 0 H ILE A 46 -14.846 -18.483 -3.467 1.00 62.11 H new ATOM 0 HA ILE A 46 -17.007 -18.325 -1.548 1.00 10.21 H new ATOM 0 HB ILE A 46 -16.559 -20.351 -3.781 1.00 2.21 H new ATOM 0 HG12 ILE A 46 -16.221 -18.116 -4.763 1.00 52.35 H new ATOM 0 HG13 ILE A 46 -17.730 -18.801 -5.334 1.00 52.35 H new ATOM 0 HG21 ILE A 46 -19.046 -20.341 -3.932 1.00 31.12 H new ATOM 0 HG22 ILE A 46 -18.481 -20.812 -2.311 1.00 31.12 H new ATOM 0 HG23 ILE A 46 -19.110 -19.171 -2.592 1.00 31.12 H new ATOM 0 HD11 ILE A 46 -17.985 -16.417 -4.828 1.00 63.22 H new ATOM 0 HD12 ILE A 46 -18.990 -17.395 -3.731 1.00 63.22 H new ATOM 0 HD13 ILE A 46 -17.457 -16.699 -3.152 1.00 63.22 H new ATOM 675 N ASP A 47 -14.801 -20.088 -0.570 1.00 4.04 N ATOM 676 CA ASP A 47 -14.283 -21.090 0.381 1.00 1.22 C ATOM 677 C ASP A 47 -15.062 -20.993 1.677 1.00 32.30 C ATOM 678 O ASP A 47 -15.720 -21.946 2.119 1.00 12.05 O ATOM 679 CB ASP A 47 -12.785 -20.833 0.652 1.00 44.45 C ATOM 680 CG ASP A 47 -12.223 -21.648 1.817 1.00 63.33 C ATOM 681 OD1 ASP A 47 -11.868 -22.828 1.615 1.00 14.52 O ATOM 682 OD2 ASP A 47 -12.108 -21.081 2.936 1.00 63.13 O ATOM 0 H ASP A 47 -14.163 -19.308 -0.728 1.00 4.04 H new ATOM 0 HA ASP A 47 -14.398 -22.088 -0.043 1.00 1.22 H new ATOM 0 HB2 ASP A 47 -12.217 -21.064 -0.249 1.00 44.45 H new ATOM 0 HB3 ASP A 47 -12.639 -19.773 0.858 1.00 44.45 H new ATOM 687 N PHE A 48 -15.033 -19.815 2.246 1.00 60.00 N ATOM 688 CA PHE A 48 -15.730 -19.542 3.464 1.00 50.35 C ATOM 689 C PHE A 48 -17.218 -19.479 3.182 1.00 23.12 C ATOM 690 O PHE A 48 -17.651 -18.786 2.252 1.00 52.32 O ATOM 691 CB PHE A 48 -15.246 -18.222 4.076 1.00 41.41 C ATOM 692 CG PHE A 48 -13.781 -18.201 4.417 1.00 1.43 C ATOM 693 CD1 PHE A 48 -13.328 -18.724 5.616 1.00 11.21 C ATOM 694 CD2 PHE A 48 -12.856 -17.660 3.535 1.00 2.51 C ATOM 695 CE1 PHE A 48 -11.983 -18.709 5.933 1.00 54.23 C ATOM 696 CE2 PHE A 48 -11.510 -17.641 3.845 1.00 65.55 C ATOM 697 CZ PHE A 48 -11.073 -18.167 5.046 1.00 61.31 C ATOM 0 H PHE A 48 -14.520 -19.017 1.870 1.00 60.00 H new ATOM 0 HA PHE A 48 -15.530 -20.339 4.180 1.00 50.35 H new ATOM 0 HB2 PHE A 48 -15.457 -17.412 3.378 1.00 41.41 H new ATOM 0 HB3 PHE A 48 -15.821 -18.021 4.980 1.00 41.41 H new ATOM 0 HD1 PHE A 48 -14.035 -19.149 6.313 1.00 11.21 H new ATOM 0 HD2 PHE A 48 -13.193 -17.249 2.595 1.00 2.51 H new ATOM 0 HE1 PHE A 48 -11.644 -19.120 6.872 1.00 54.23 H new ATOM 0 HE2 PHE A 48 -10.801 -17.216 3.150 1.00 65.55 H new ATOM 0 HZ PHE A 48 -10.021 -18.154 5.291 1.00 61.31 H new ATOM 707 N THR A 49 -17.987 -20.218 3.961 1.00 3.50 N ATOM 708 CA THR A 49 -19.424 -20.281 3.821 1.00 64.45 C ATOM 709 C THR A 49 -20.058 -18.896 3.961 1.00 25.04 C ATOM 710 O THR A 49 -20.129 -18.335 5.067 1.00 61.05 O ATOM 711 CB THR A 49 -20.010 -21.257 4.855 1.00 33.40 C ATOM 712 OG1 THR A 49 -19.460 -20.957 6.148 1.00 20.30 O ATOM 713 CG2 THR A 49 -19.687 -22.701 4.484 1.00 4.44 C ATOM 0 H THR A 49 -17.623 -20.797 4.717 1.00 3.50 H new ATOM 0 HA THR A 49 -19.655 -20.646 2.820 1.00 64.45 H new ATOM 0 HB THR A 49 -21.094 -21.142 4.872 1.00 33.40 H new ATOM 0 HG1 THR A 49 -19.466 -19.987 6.289 1.00 20.30 H new ATOM 0 HG21 THR A 49 -20.112 -23.372 5.230 1.00 4.44 H new ATOM 0 HG22 THR A 49 -20.112 -22.929 3.507 1.00 4.44 H new ATOM 0 HG23 THR A 49 -18.606 -22.835 4.450 1.00 4.44 H new ATOM 721 N GLY A 50 -20.445 -18.346 2.846 1.00 4.32 N ATOM 722 CA GLY A 50 -21.020 -17.036 2.801 1.00 74.21 C ATOM 723 C GLY A 50 -20.401 -16.255 1.671 1.00 4.03 C ATOM 724 O GLY A 50 -19.978 -15.114 1.841 1.00 63.15 O ATOM 0 H GLY A 50 -20.369 -18.800 1.936 1.00 4.32 H new ATOM 0 HA2 GLY A 50 -22.099 -17.105 2.661 1.00 74.21 H new ATOM 0 HA3 GLY A 50 -20.853 -16.521 3.747 1.00 74.21 H new ATOM 728 N GLY A 51 -20.378 -16.866 0.514 1.00 64.10 N ATOM 729 CA GLY A 51 -19.704 -16.292 -0.629 1.00 75.12 C ATOM 730 C GLY A 51 -20.629 -15.485 -1.477 1.00 51.10 C ATOM 731 O GLY A 51 -20.209 -14.700 -2.315 1.00 31.21 O ATOM 0 H GLY A 51 -20.821 -17.767 0.335 1.00 64.10 H new ATOM 0 HA2 GLY A 51 -18.883 -15.662 -0.287 1.00 75.12 H new ATOM 0 HA3 GLY A 51 -19.265 -17.089 -1.229 1.00 75.12 H new ATOM 735 N GLU A 52 -21.882 -15.691 -1.249 1.00 21.33 N ATOM 736 CA GLU A 52 -22.941 -15.036 -1.960 1.00 44.43 C ATOM 737 C GLU A 52 -23.021 -13.558 -1.573 1.00 61.33 C ATOM 738 O GLU A 52 -23.316 -12.711 -2.435 1.00 44.41 O ATOM 739 CB GLU A 52 -24.290 -15.777 -1.730 1.00 32.42 C ATOM 740 CG GLU A 52 -24.835 -15.777 -0.284 1.00 42.31 C ATOM 741 CD GLU A 52 -23.817 -16.193 0.744 1.00 23.21 C ATOM 742 OE1 GLU A 52 -23.369 -17.350 0.714 1.00 51.33 O ATOM 743 OE2 GLU A 52 -23.364 -15.322 1.512 1.00 72.45 O ATOM 0 H GLU A 52 -22.215 -16.342 -0.538 1.00 21.33 H new ATOM 0 HA GLU A 52 -22.726 -15.075 -3.028 1.00 44.43 H new ATOM 0 HB2 GLU A 52 -25.042 -15.327 -2.379 1.00 32.42 H new ATOM 0 HB3 GLU A 52 -24.170 -16.812 -2.050 1.00 32.42 H new ATOM 0 HG2 GLU A 52 -25.197 -14.778 -0.041 1.00 42.31 H new ATOM 0 HG3 GLU A 52 -25.692 -16.449 -0.227 1.00 42.31 H new ATOM 750 N ASP A 53 -22.757 -13.264 -0.283 1.00 2.11 N ATOM 751 CA ASP A 53 -22.744 -11.886 0.243 1.00 3.41 C ATOM 752 C ASP A 53 -22.329 -11.834 1.731 1.00 15.33 C ATOM 753 O ASP A 53 -21.728 -10.873 2.161 1.00 71.13 O ATOM 754 CB ASP A 53 -24.121 -11.200 0.045 1.00 15.02 C ATOM 755 CG ASP A 53 -24.181 -9.756 0.533 1.00 32.02 C ATOM 756 OD1 ASP A 53 -23.392 -8.898 0.054 1.00 72.21 O ATOM 757 OD2 ASP A 53 -25.057 -9.435 1.356 1.00 72.14 O ATOM 0 H ASP A 53 -22.548 -13.973 0.420 1.00 2.11 H new ATOM 0 HA ASP A 53 -21.994 -11.339 -0.328 1.00 3.41 H new ATOM 0 HB2 ASP A 53 -24.376 -11.224 -1.014 1.00 15.02 H new ATOM 0 HB3 ASP A 53 -24.881 -11.780 0.569 1.00 15.02 H new ATOM 762 N ALA A 54 -22.576 -12.904 2.484 1.00 31.52 N ATOM 763 CA ALA A 54 -22.363 -12.913 3.954 1.00 31.13 C ATOM 764 C ALA A 54 -20.921 -12.615 4.435 1.00 24.12 C ATOM 765 O ALA A 54 -20.726 -11.763 5.315 1.00 62.20 O ATOM 766 CB ALA A 54 -22.856 -14.198 4.557 1.00 11.24 C ATOM 0 H ALA A 54 -22.926 -13.786 2.110 1.00 31.52 H new ATOM 0 HA ALA A 54 -22.953 -12.069 4.311 1.00 31.13 H new ATOM 0 HB1 ALA A 54 -22.690 -14.182 5.634 1.00 11.24 H new ATOM 0 HB2 ALA A 54 -23.922 -14.309 4.356 1.00 11.24 H new ATOM 0 HB3 ALA A 54 -22.315 -15.037 4.119 1.00 11.24 H new ATOM 772 N GLN A 55 -19.914 -13.301 3.884 1.00 40.03 N ATOM 773 CA GLN A 55 -18.515 -13.076 4.320 1.00 22.25 C ATOM 774 C GLN A 55 -18.072 -11.689 3.940 1.00 65.20 C ATOM 775 O GLN A 55 -17.256 -11.065 4.608 1.00 32.04 O ATOM 776 CB GLN A 55 -17.552 -14.120 3.749 1.00 63.52 C ATOM 777 CG GLN A 55 -17.809 -15.529 4.248 1.00 74.33 C ATOM 778 CD GLN A 55 -17.676 -15.659 5.757 1.00 11.32 C ATOM 779 OE1 GLN A 55 -16.904 -14.959 6.391 1.00 2.35 O ATOM 780 NE2 GLN A 55 -18.437 -16.543 6.342 1.00 62.40 N ATOM 0 H GLN A 55 -20.027 -14.002 3.152 1.00 40.03 H new ATOM 0 HA GLN A 55 -18.491 -13.180 5.405 1.00 22.25 H new ATOM 0 HB2 GLN A 55 -17.625 -14.111 2.661 1.00 63.52 H new ATOM 0 HB3 GLN A 55 -16.531 -13.836 4.003 1.00 63.52 H new ATOM 0 HG2 GLN A 55 -18.811 -15.837 3.949 1.00 74.33 H new ATOM 0 HG3 GLN A 55 -17.109 -16.212 3.767 1.00 74.33 H new ATOM 0 HE21 GLN A 55 -19.074 -17.115 5.787 1.00 62.40 H new ATOM 0 HE22 GLN A 55 -18.395 -16.662 7.354 1.00 62.40 H new ATOM 789 N TYR A 56 -18.640 -11.210 2.868 1.00 4.23 N ATOM 790 CA TYR A 56 -18.425 -9.869 2.433 1.00 24.22 C ATOM 791 C TYR A 56 -19.069 -8.929 3.394 1.00 63.13 C ATOM 792 O TYR A 56 -18.483 -7.909 3.746 1.00 1.43 O ATOM 793 CB TYR A 56 -19.042 -9.664 1.064 1.00 21.31 C ATOM 794 CG TYR A 56 -19.240 -8.211 0.652 1.00 22.14 C ATOM 795 CD1 TYR A 56 -20.410 -7.504 0.999 1.00 73.11 C ATOM 796 CD2 TYR A 56 -18.301 -7.562 -0.109 1.00 71.21 C ATOM 797 CE1 TYR A 56 -20.607 -6.236 0.586 1.00 61.31 C ATOM 798 CE2 TYR A 56 -18.508 -6.270 -0.527 1.00 73.52 C ATOM 799 CZ TYR A 56 -19.668 -5.618 -0.187 1.00 30.51 C ATOM 800 OH TYR A 56 -19.875 -4.328 -0.594 1.00 32.51 O ATOM 0 H TYR A 56 -19.269 -11.748 2.271 1.00 4.23 H new ATOM 0 HA TYR A 56 -17.353 -9.680 2.383 1.00 24.22 H new ATOM 0 HB2 TYR A 56 -18.410 -10.152 0.322 1.00 21.31 H new ATOM 0 HB3 TYR A 56 -20.009 -10.167 1.040 1.00 21.31 H new ATOM 0 HD1 TYR A 56 -21.161 -7.987 1.606 1.00 73.11 H new ATOM 0 HD2 TYR A 56 -17.389 -8.072 -0.382 1.00 71.21 H new ATOM 0 HE1 TYR A 56 -21.507 -5.710 0.867 1.00 61.31 H new ATOM 0 HE2 TYR A 56 -17.760 -5.768 -1.122 1.00 73.52 H new ATOM 0 HH TYR A 56 -20.043 -3.761 0.188 1.00 32.51 H new ATOM 810 N ASP A 57 -20.296 -9.259 3.785 1.00 63.15 N ATOM 811 CA ASP A 57 -21.081 -8.406 4.622 1.00 64.01 C ATOM 812 C ASP A 57 -20.381 -8.140 5.893 1.00 33.33 C ATOM 813 O ASP A 57 -20.257 -7.040 6.258 1.00 1.40 O ATOM 814 CB ASP A 57 -22.490 -8.911 4.880 1.00 21.20 C ATOM 815 CG ASP A 57 -23.361 -7.787 5.419 1.00 63.41 C ATOM 816 OD1 ASP A 57 -23.817 -6.965 4.596 1.00 71.25 O ATOM 817 OD2 ASP A 57 -23.564 -7.689 6.633 1.00 10.01 O ATOM 0 H ASP A 57 -20.760 -10.129 3.522 1.00 63.15 H new ATOM 0 HA ASP A 57 -21.200 -7.475 4.067 1.00 64.01 H new ATOM 0 HB2 ASP A 57 -22.918 -9.302 3.957 1.00 21.20 H new ATOM 0 HB3 ASP A 57 -22.464 -9.735 5.594 1.00 21.20 H new ATOM 822 N ALA A 58 -19.810 -9.164 6.496 1.00 61.42 N ATOM 823 CA ALA A 58 -19.051 -9.001 7.752 1.00 31.11 C ATOM 824 C ALA A 58 -17.913 -7.947 7.626 1.00 41.11 C ATOM 825 O ALA A 58 -17.504 -7.331 8.607 1.00 73.42 O ATOM 826 CB ALA A 58 -18.496 -10.335 8.198 1.00 42.31 C ATOM 0 H ALA A 58 -19.849 -10.122 6.149 1.00 61.42 H new ATOM 0 HA ALA A 58 -19.743 -8.627 8.506 1.00 31.11 H new ATOM 0 HB1 ALA A 58 -17.938 -10.205 9.125 1.00 42.31 H new ATOM 0 HB2 ALA A 58 -19.316 -11.033 8.363 1.00 42.31 H new ATOM 0 HB3 ALA A 58 -17.833 -10.729 7.428 1.00 42.31 H new ATOM 832 N ILE A 59 -17.437 -7.746 6.412 1.00 41.52 N ATOM 833 CA ILE A 59 -16.413 -6.759 6.116 1.00 50.22 C ATOM 834 C ILE A 59 -17.091 -5.402 5.808 1.00 53.15 C ATOM 835 O ILE A 59 -16.874 -4.394 6.496 1.00 40.12 O ATOM 836 CB ILE A 59 -15.582 -7.213 4.876 1.00 1.14 C ATOM 837 CG1 ILE A 59 -14.943 -8.591 5.135 1.00 2.32 C ATOM 838 CG2 ILE A 59 -14.518 -6.176 4.519 1.00 74.51 C ATOM 839 CD1 ILE A 59 -14.246 -9.199 3.929 1.00 54.25 C ATOM 0 H ILE A 59 -17.753 -8.268 5.594 1.00 41.52 H new ATOM 0 HA ILE A 59 -15.750 -6.657 6.975 1.00 50.22 H new ATOM 0 HB ILE A 59 -16.257 -7.301 4.025 1.00 1.14 H new ATOM 0 HG12 ILE A 59 -14.221 -8.496 5.946 1.00 2.32 H new ATOM 0 HG13 ILE A 59 -15.717 -9.278 5.476 1.00 2.32 H new ATOM 0 HG21 ILE A 59 -13.954 -6.518 3.651 1.00 74.51 H new ATOM 0 HG22 ILE A 59 -14.999 -5.226 4.288 1.00 74.51 H new ATOM 0 HG23 ILE A 59 -13.841 -6.044 5.363 1.00 74.51 H new ATOM 0 HD11 ILE A 59 -13.826 -10.167 4.201 1.00 54.25 H new ATOM 0 HD12 ILE A 59 -14.966 -9.330 3.121 1.00 54.25 H new ATOM 0 HD13 ILE A 59 -13.446 -8.536 3.599 1.00 54.25 H new ATOM 851 N TYR A 60 -17.941 -5.418 4.790 1.00 0.41 N ATOM 852 CA TYR A 60 -18.666 -4.246 4.308 1.00 33.13 C ATOM 853 C TYR A 60 -19.492 -3.609 5.389 1.00 4.53 C ATOM 854 O TYR A 60 -19.441 -2.403 5.555 1.00 41.12 O ATOM 855 CB TYR A 60 -19.550 -4.643 3.150 1.00 53.42 C ATOM 856 CG TYR A 60 -20.655 -3.661 2.817 1.00 12.23 C ATOM 857 CD1 TYR A 60 -20.422 -2.520 2.062 1.00 33.23 C ATOM 858 CD2 TYR A 60 -21.943 -3.892 3.279 1.00 1.04 C ATOM 859 CE1 TYR A 60 -21.453 -1.645 1.782 1.00 23.53 C ATOM 860 CE2 TYR A 60 -22.959 -3.031 3.008 1.00 25.02 C ATOM 861 CZ TYR A 60 -22.720 -1.918 2.265 1.00 55.21 C ATOM 862 OH TYR A 60 -23.751 -1.076 2.006 1.00 33.30 O ATOM 0 H TYR A 60 -18.152 -6.265 4.263 1.00 0.41 H new ATOM 0 HA TYR A 60 -17.932 -3.509 3.983 1.00 33.13 H new ATOM 0 HB2 TYR A 60 -18.926 -4.777 2.266 1.00 53.42 H new ATOM 0 HB3 TYR A 60 -20.000 -5.611 3.372 1.00 53.42 H new ATOM 0 HD1 TYR A 60 -19.429 -2.315 1.691 1.00 33.23 H new ATOM 0 HD2 TYR A 60 -22.142 -4.776 3.867 1.00 1.04 H new ATOM 0 HE1 TYR A 60 -21.272 -0.758 1.193 1.00 23.53 H new ATOM 0 HE2 TYR A 60 -23.953 -3.230 3.382 1.00 25.02 H new ATOM 0 HH TYR A 60 -24.599 -1.525 2.206 1.00 33.30 H new ATOM 872 N ASN A 61 -20.291 -4.434 6.055 1.00 1.31 N ATOM 873 CA ASN A 61 -21.128 -4.010 7.235 1.00 13.41 C ATOM 874 C ASN A 61 -20.303 -3.084 8.137 1.00 10.31 C ATOM 875 O ASN A 61 -20.717 -1.980 8.469 1.00 51.33 O ATOM 876 CB ASN A 61 -21.514 -5.237 8.097 1.00 14.13 C ATOM 877 CG ASN A 61 -22.774 -5.045 8.920 1.00 61.42 C ATOM 878 OD1 ASN A 61 -22.749 -4.468 10.003 1.00 33.42 O ATOM 879 ND2 ASN A 61 -23.857 -5.632 8.469 1.00 64.35 N ATOM 0 H ASN A 61 -20.396 -5.420 5.814 1.00 1.31 H new ATOM 0 HA ASN A 61 -22.020 -3.514 6.852 1.00 13.41 H new ATOM 0 HB2 ASN A 61 -21.648 -6.099 7.443 1.00 14.13 H new ATOM 0 HB3 ASN A 61 -20.687 -5.471 8.768 1.00 14.13 H new ATOM 0 HD21 ASN A 61 -24.713 -5.618 9.023 1.00 64.35 H new ATOM 0 HD22 ASN A 61 -23.843 -6.103 7.564 1.00 64.35 H new ATOM 886 N ASN A 62 -19.089 -3.547 8.450 1.00 11.41 N ATOM 887 CA ASN A 62 -18.145 -2.838 9.316 1.00 25.12 C ATOM 888 C ASN A 62 -17.606 -1.559 8.665 1.00 65.11 C ATOM 889 O ASN A 62 -17.386 -0.564 9.353 1.00 2.42 O ATOM 890 CB ASN A 62 -16.975 -3.773 9.703 1.00 61.25 C ATOM 891 CG ASN A 62 -15.903 -3.108 10.574 1.00 1.11 C ATOM 892 OD1 ASN A 62 -15.993 -3.108 11.795 1.00 30.24 O ATOM 893 ND2 ASN A 62 -14.867 -2.576 9.954 1.00 42.25 N ATOM 0 H ASN A 62 -18.731 -4.437 8.104 1.00 11.41 H new ATOM 0 HA ASN A 62 -18.688 -2.540 10.213 1.00 25.12 H new ATOM 0 HB2 ASN A 62 -17.375 -4.637 10.234 1.00 61.25 H new ATOM 0 HB3 ASN A 62 -16.507 -4.147 8.793 1.00 61.25 H new ATOM 0 HD21 ASN A 62 -14.113 -2.150 10.493 1.00 42.25 H new ATOM 0 HD22 ASN A 62 -14.820 -2.591 8.935 1.00 42.25 H new ATOM 900 N VAL A 63 -17.368 -1.586 7.339 1.00 73.13 N ATOM 901 CA VAL A 63 -16.842 -0.378 6.664 1.00 21.24 C ATOM 902 C VAL A 63 -17.874 0.757 6.719 1.00 25.15 C ATOM 903 O VAL A 63 -17.510 1.925 6.877 1.00 25.21 O ATOM 904 CB VAL A 63 -16.362 -0.588 5.150 1.00 71.41 C ATOM 905 CG1 VAL A 63 -15.790 -1.937 4.895 1.00 51.31 C ATOM 906 CG2 VAL A 63 -17.397 -0.258 4.093 1.00 11.23 C ATOM 0 H VAL A 63 -17.522 -2.392 6.734 1.00 73.13 H new ATOM 0 HA VAL A 63 -15.943 -0.121 7.224 1.00 21.24 H new ATOM 0 HB VAL A 63 -15.569 0.153 5.049 1.00 71.41 H new ATOM 0 HG11 VAL A 63 -15.485 -2.012 3.851 1.00 51.31 H new ATOM 0 HG12 VAL A 63 -14.924 -2.092 5.538 1.00 51.31 H new ATOM 0 HG13 VAL A 63 -16.541 -2.697 5.109 1.00 51.31 H new ATOM 0 HG21 VAL A 63 -16.975 -0.433 3.103 1.00 11.23 H new ATOM 0 HG22 VAL A 63 -18.273 -0.892 4.231 1.00 11.23 H new ATOM 0 HG23 VAL A 63 -17.688 0.788 4.183 1.00 11.23 H new ATOM 916 N THR A 64 -19.151 0.395 6.629 1.00 24.25 N ATOM 917 CA THR A 64 -20.207 1.361 6.577 1.00 2.03 C ATOM 918 C THR A 64 -20.671 1.823 7.943 1.00 53.31 C ATOM 919 O THR A 64 -21.376 1.126 8.658 1.00 11.43 O ATOM 920 CB THR A 64 -21.363 0.890 5.705 1.00 73.13 C ATOM 921 OG1 THR A 64 -21.751 -0.451 6.070 1.00 44.12 O ATOM 922 CG2 THR A 64 -20.937 0.926 4.254 1.00 65.20 C ATOM 0 H THR A 64 -19.466 -0.574 6.591 1.00 24.25 H new ATOM 0 HA THR A 64 -19.780 2.244 6.102 1.00 2.03 H new ATOM 0 HB THR A 64 -22.218 1.550 5.853 1.00 73.13 H new ATOM 0 HG1 THR A 64 -21.403 -0.661 6.962 1.00 44.12 H new ATOM 0 HG21 THR A 64 -21.761 0.590 3.624 1.00 65.20 H new ATOM 0 HG22 THR A 64 -20.664 1.945 3.980 1.00 65.20 H new ATOM 0 HG23 THR A 64 -20.079 0.269 4.110 1.00 65.20 H new ATOM 930 N LYS A 65 -20.258 3.016 8.268 1.00 4.31 N ATOM 931 CA LYS A 65 -20.524 3.634 9.551 1.00 42.40 C ATOM 932 C LYS A 65 -21.947 4.218 9.625 1.00 44.33 C ATOM 933 O LYS A 65 -22.734 3.842 10.476 1.00 23.24 O ATOM 934 CB LYS A 65 -19.486 4.726 9.759 1.00 53.43 C ATOM 935 CG LYS A 65 -18.047 4.200 9.735 1.00 34.23 C ATOM 936 CD LYS A 65 -17.043 5.303 9.443 1.00 42.34 C ATOM 937 CE LYS A 65 -17.195 5.809 8.010 1.00 73.32 C ATOM 938 NZ LYS A 65 -16.280 6.937 7.704 1.00 3.24 N ATOM 0 H LYS A 65 -19.714 3.605 7.638 1.00 4.31 H new ATOM 0 HA LYS A 65 -20.459 2.882 10.337 1.00 42.40 H new ATOM 0 HB2 LYS A 65 -19.603 5.483 8.983 1.00 53.43 H new ATOM 0 HB3 LYS A 65 -19.671 5.218 10.714 1.00 53.43 H new ATOM 0 HG2 LYS A 65 -17.813 3.741 10.696 1.00 34.23 H new ATOM 0 HG3 LYS A 65 -17.959 3.420 8.979 1.00 34.23 H new ATOM 0 HD2 LYS A 65 -17.188 6.127 10.142 1.00 42.34 H new ATOM 0 HD3 LYS A 65 -16.031 4.929 9.596 1.00 42.34 H new ATOM 0 HE2 LYS A 65 -17.001 4.990 7.317 1.00 73.32 H new ATOM 0 HE3 LYS A 65 -18.225 6.127 7.848 1.00 73.32 H new ATOM 0 HZ1 LYS A 65 -16.387 7.210 6.706 1.00 3.24 H new ATOM 0 HZ2 LYS A 65 -16.514 7.748 8.311 1.00 3.24 H new ATOM 0 HZ3 LYS A 65 -15.298 6.645 7.880 1.00 3.24 H new ATOM 952 N GLY A 66 -22.256 5.154 8.736 1.00 53.04 N ATOM 953 CA GLY A 66 -23.582 5.772 8.747 1.00 54.01 C ATOM 954 C GLY A 66 -24.130 5.967 7.353 1.00 43.31 C ATOM 955 O GLY A 66 -25.219 6.488 7.161 1.00 33.44 O ATOM 0 H GLY A 66 -21.625 5.498 8.012 1.00 53.04 H new ATOM 0 HA2 GLY A 66 -24.267 5.149 9.321 1.00 54.01 H new ATOM 0 HA3 GLY A 66 -23.528 6.736 9.253 1.00 54.01 H new ATOM 959 N GLU A 67 -23.370 5.533 6.401 1.00 61.35 N ATOM 960 CA GLU A 67 -23.698 5.631 5.005 1.00 2.45 C ATOM 961 C GLU A 67 -23.719 4.217 4.504 1.00 52.05 C ATOM 962 O GLU A 67 -22.787 3.475 4.769 1.00 20.11 O ATOM 963 CB GLU A 67 -22.599 6.441 4.307 1.00 72.04 C ATOM 964 CG GLU A 67 -22.671 6.539 2.784 1.00 21.30 C ATOM 965 CD GLU A 67 -21.437 7.232 2.179 1.00 62.40 C ATOM 966 OE1 GLU A 67 -20.296 6.653 2.259 1.00 12.21 O ATOM 967 OE2 GLU A 67 -21.576 8.324 1.593 1.00 13.21 O ATOM 0 H GLU A 67 -22.471 5.084 6.574 1.00 61.35 H new ATOM 0 HA GLU A 67 -24.652 6.125 4.819 1.00 2.45 H new ATOM 0 HB2 GLU A 67 -22.614 7.453 4.713 1.00 72.04 H new ATOM 0 HB3 GLU A 67 -21.636 6.005 4.573 1.00 72.04 H new ATOM 0 HG2 GLU A 67 -22.765 5.538 2.363 1.00 21.30 H new ATOM 0 HG3 GLU A 67 -23.568 7.089 2.501 1.00 21.30 H new ATOM 974 N ASN A 68 -24.776 3.821 3.861 1.00 63.41 N ATOM 975 CA ASN A 68 -24.860 2.469 3.357 1.00 63.34 C ATOM 976 C ASN A 68 -24.398 2.474 1.926 1.00 10.35 C ATOM 977 O ASN A 68 -24.912 3.238 1.113 1.00 71.53 O ATOM 978 CB ASN A 68 -26.288 1.916 3.477 1.00 11.11 C ATOM 979 CG ASN A 68 -26.390 0.444 3.093 1.00 4.13 C ATOM 980 OD1 ASN A 68 -26.642 0.097 1.950 1.00 73.11 O ATOM 981 ND2 ASN A 68 -26.188 -0.430 4.055 1.00 64.40 N ATOM 0 H ASN A 68 -25.591 4.404 3.670 1.00 63.41 H new ATOM 0 HA ASN A 68 -24.222 1.814 3.951 1.00 63.34 H new ATOM 0 HB2 ASN A 68 -26.636 2.044 4.502 1.00 11.11 H new ATOM 0 HB3 ASN A 68 -26.953 2.499 2.840 1.00 11.11 H new ATOM 0 HD21 ASN A 68 -26.240 -1.429 3.856 1.00 64.40 H new ATOM 0 HD22 ASN A 68 -25.979 -0.109 5.000 1.00 64.40 H new ATOM 988 N GLY A 69 -23.418 1.663 1.629 1.00 11.43 N ATOM 989 CA GLY A 69 -22.848 1.663 0.325 1.00 10.35 C ATOM 990 C GLY A 69 -21.485 2.206 0.426 1.00 73.50 C ATOM 991 O GLY A 69 -21.166 2.922 1.373 1.00 2.50 O ATOM 0 H GLY A 69 -23.003 0.996 2.279 1.00 11.43 H new ATOM 0 HA2 GLY A 69 -22.826 0.652 -0.082 1.00 10.35 H new ATOM 0 HA3 GLY A 69 -23.450 2.267 -0.354 1.00 10.35 H new ATOM 995 N VAL A 70 -20.661 1.882 -0.489 1.00 1.12 N ATOM 996 CA VAL A 70 -19.340 2.378 -0.413 1.00 52.53 C ATOM 997 C VAL A 70 -19.227 3.555 -1.309 1.00 62.02 C ATOM 998 O VAL A 70 -19.062 3.451 -2.513 1.00 55.33 O ATOM 999 CB VAL A 70 -18.272 1.295 -0.675 1.00 13.35 C ATOM 1000 CG1 VAL A 70 -17.906 0.598 0.618 1.00 50.00 C ATOM 1001 CG2 VAL A 70 -18.838 0.284 -1.570 1.00 41.23 C ATOM 0 H VAL A 70 -20.868 1.285 -1.290 1.00 1.12 H new ATOM 0 HA VAL A 70 -19.134 2.698 0.608 1.00 52.53 H new ATOM 0 HB VAL A 70 -17.391 1.768 -1.109 1.00 13.35 H new ATOM 0 HG11 VAL A 70 -17.152 -0.164 0.420 1.00 50.00 H new ATOM 0 HG12 VAL A 70 -17.509 1.327 1.324 1.00 50.00 H new ATOM 0 HG13 VAL A 70 -18.794 0.128 1.042 1.00 50.00 H new ATOM 0 HG21 VAL A 70 -18.093 -0.488 -1.764 1.00 41.23 H new ATOM 0 HG22 VAL A 70 -19.714 -0.166 -1.103 1.00 41.23 H new ATOM 0 HG23 VAL A 70 -19.128 0.752 -2.510 1.00 41.23 H new ATOM 1011 N SER A 71 -19.352 4.659 -0.694 1.00 11.13 N ATOM 1012 CA SER A 71 -19.385 5.918 -1.318 1.00 33.55 C ATOM 1013 C SER A 71 -18.107 6.668 -0.992 1.00 73.31 C ATOM 1014 O SER A 71 -17.169 6.061 -0.480 1.00 0.00 O ATOM 1015 CB SER A 71 -20.674 6.599 -0.846 1.00 31.22 C ATOM 1016 OG SER A 71 -20.770 7.981 -1.155 1.00 24.11 O ATOM 0 H SER A 71 -19.440 4.714 0.321 1.00 11.13 H new ATOM 0 HA SER A 71 -19.413 5.870 -2.407 1.00 33.55 H new ATOM 0 HB2 SER A 71 -21.524 6.083 -1.292 1.00 31.22 H new ATOM 0 HB3 SER A 71 -20.757 6.477 0.234 1.00 31.22 H new ATOM 0 HG SER A 71 -21.057 8.475 -0.359 1.00 24.11 H new ATOM 1022 N PHE A 72 -18.059 7.951 -1.306 1.00 62.31 N ATOM 1023 CA PHE A 72 -16.869 8.783 -1.124 1.00 75.00 C ATOM 1024 C PHE A 72 -16.264 8.621 0.266 1.00 71.14 C ATOM 1025 O PHE A 72 -15.045 8.616 0.418 1.00 72.33 O ATOM 1026 CB PHE A 72 -17.180 10.253 -1.421 1.00 63.11 C ATOM 1027 CG PHE A 72 -17.609 10.497 -2.844 1.00 0.53 C ATOM 1028 CD1 PHE A 72 -16.667 10.582 -3.858 1.00 21.31 C ATOM 1029 CD2 PHE A 72 -18.951 10.633 -3.169 1.00 4.34 C ATOM 1030 CE1 PHE A 72 -17.054 10.797 -5.167 1.00 33.21 C ATOM 1031 CE2 PHE A 72 -19.343 10.849 -4.476 1.00 72.53 C ATOM 1032 CZ PHE A 72 -18.394 10.931 -5.476 1.00 25.22 C ATOM 0 H PHE A 72 -18.853 8.456 -1.700 1.00 62.31 H new ATOM 0 HA PHE A 72 -16.122 8.439 -1.840 1.00 75.00 H new ATOM 0 HB2 PHE A 72 -17.967 10.593 -0.748 1.00 63.11 H new ATOM 0 HB3 PHE A 72 -16.296 10.854 -1.207 1.00 63.11 H new ATOM 0 HD1 PHE A 72 -15.618 10.479 -3.622 1.00 21.31 H new ATOM 0 HD2 PHE A 72 -19.698 10.569 -2.391 1.00 4.34 H new ATOM 0 HE1 PHE A 72 -16.310 10.860 -5.947 1.00 33.21 H new ATOM 0 HE2 PHE A 72 -20.391 10.954 -4.716 1.00 72.53 H new ATOM 0 HZ PHE A 72 -18.699 11.100 -6.498 1.00 25.22 H new ATOM 1042 N ASP A 73 -17.099 8.484 1.263 1.00 41.34 N ATOM 1043 CA ASP A 73 -16.613 8.217 2.593 1.00 12.23 C ATOM 1044 C ASP A 73 -16.287 6.729 2.779 1.00 73.51 C ATOM 1045 O ASP A 73 -15.120 6.335 2.807 1.00 70.14 O ATOM 1046 CB ASP A 73 -17.594 8.709 3.670 1.00 30.15 C ATOM 1047 CG ASP A 73 -17.167 8.318 5.081 1.00 52.21 C ATOM 1048 OD1 ASP A 73 -15.981 8.473 5.443 1.00 5.33 O ATOM 1049 OD2 ASP A 73 -17.992 7.798 5.849 1.00 21.23 O ATOM 0 H ASP A 73 -18.113 8.552 1.181 1.00 41.34 H new ATOM 0 HA ASP A 73 -15.688 8.780 2.716 1.00 12.23 H new ATOM 0 HB2 ASP A 73 -17.680 9.794 3.609 1.00 30.15 H new ATOM 0 HB3 ASP A 73 -18.584 8.299 3.468 1.00 30.15 H new ATOM 1054 N ASN A 74 -17.321 5.906 2.794 1.00 43.54 N ATOM 1055 CA ASN A 74 -17.211 4.479 3.178 1.00 71.22 C ATOM 1056 C ASN A 74 -16.388 3.602 2.261 1.00 72.51 C ATOM 1057 O ASN A 74 -15.826 2.603 2.705 1.00 5.31 O ATOM 1058 CB ASN A 74 -18.583 3.883 3.480 1.00 65.44 C ATOM 1059 CG ASN A 74 -19.143 4.520 4.756 1.00 41.31 C ATOM 1060 OD1 ASN A 74 -18.980 4.031 5.862 1.00 64.15 O ATOM 1061 ND2 ASN A 74 -19.756 5.632 4.620 1.00 22.42 N ATOM 0 H ASN A 74 -18.267 6.192 2.543 1.00 43.54 H new ATOM 0 HA ASN A 74 -16.622 4.489 4.095 1.00 71.22 H new ATOM 0 HB2 ASN A 74 -19.260 4.059 2.644 1.00 65.44 H new ATOM 0 HB3 ASN A 74 -18.504 2.803 3.604 1.00 65.44 H new ATOM 0 HD21 ASN A 74 -20.115 6.120 5.441 1.00 22.42 H new ATOM 0 HD22 ASN A 74 -19.887 6.032 3.691 1.00 22.42 H new ATOM 1068 N TYR A 75 -16.282 3.959 1.005 1.00 72.22 N ATOM 1069 CA TYR A 75 -15.472 3.176 0.094 1.00 52.43 C ATOM 1070 C TYR A 75 -14.028 3.454 0.424 1.00 13.22 C ATOM 1071 O TYR A 75 -13.250 2.544 0.726 1.00 24.23 O ATOM 1072 CB TYR A 75 -15.754 3.564 -1.377 1.00 73.34 C ATOM 1073 CG TYR A 75 -15.102 2.671 -2.413 1.00 50.15 C ATOM 1074 CD1 TYR A 75 -13.731 2.589 -2.518 1.00 51.44 C ATOM 1075 CD2 TYR A 75 -15.863 1.906 -3.276 1.00 32.14 C ATOM 1076 CE1 TYR A 75 -13.132 1.789 -3.435 1.00 72.02 C ATOM 1077 CE2 TYR A 75 -15.266 1.091 -4.207 1.00 62.11 C ATOM 1078 CZ TYR A 75 -13.897 1.037 -4.284 1.00 44.32 C ATOM 1079 OH TYR A 75 -13.290 0.216 -5.208 1.00 12.10 O ATOM 0 H TYR A 75 -16.737 4.773 0.591 1.00 72.22 H new ATOM 0 HA TYR A 75 -15.707 2.118 0.206 1.00 52.43 H new ATOM 0 HB2 TYR A 75 -16.832 3.555 -1.539 1.00 73.34 H new ATOM 0 HB3 TYR A 75 -15.416 4.588 -1.538 1.00 73.34 H new ATOM 0 HD1 TYR A 75 -13.117 3.177 -1.852 1.00 51.44 H new ATOM 0 HD2 TYR A 75 -16.941 1.949 -3.218 1.00 32.14 H new ATOM 0 HE1 TYR A 75 -12.055 1.746 -3.495 1.00 72.02 H new ATOM 0 HE2 TYR A 75 -15.871 0.496 -4.875 1.00 62.11 H new ATOM 0 HH TYR A 75 -13.864 -0.558 -5.385 1.00 12.10 H new ATOM 1089 N VAL A 76 -13.708 4.721 0.426 1.00 11.04 N ATOM 1090 CA VAL A 76 -12.367 5.200 0.634 1.00 54.54 C ATOM 1091 C VAL A 76 -11.833 4.811 2.004 1.00 14.45 C ATOM 1092 O VAL A 76 -10.636 4.559 2.156 1.00 61.34 O ATOM 1093 CB VAL A 76 -12.301 6.718 0.385 1.00 43.22 C ATOM 1094 CG1 VAL A 76 -10.942 7.285 0.735 1.00 75.32 C ATOM 1095 CG2 VAL A 76 -12.617 6.984 -1.078 1.00 32.25 C ATOM 0 H VAL A 76 -14.389 5.466 0.280 1.00 11.04 H new ATOM 0 HA VAL A 76 -11.712 4.716 -0.090 1.00 54.54 H new ATOM 0 HB VAL A 76 -13.031 7.210 1.027 1.00 43.22 H new ATOM 0 HG11 VAL A 76 -10.936 8.358 0.545 1.00 75.32 H new ATOM 0 HG12 VAL A 76 -10.731 7.101 1.789 1.00 75.32 H new ATOM 0 HG13 VAL A 76 -10.179 6.804 0.123 1.00 75.32 H new ATOM 0 HG21 VAL A 76 -12.574 8.056 -1.270 1.00 32.25 H new ATOM 0 HG22 VAL A 76 -11.888 6.473 -1.707 1.00 32.25 H new ATOM 0 HG23 VAL A 76 -13.616 6.614 -1.308 1.00 32.25 H new ATOM 1105 N GLN A 77 -12.723 4.718 2.984 1.00 15.12 N ATOM 1106 CA GLN A 77 -12.340 4.237 4.301 1.00 62.50 C ATOM 1107 C GLN A 77 -11.783 2.825 4.197 1.00 11.24 C ATOM 1108 O GLN A 77 -10.762 2.527 4.783 1.00 43.13 O ATOM 1109 CB GLN A 77 -13.511 4.245 5.289 1.00 2.42 C ATOM 1110 CG GLN A 77 -14.104 5.614 5.581 1.00 21.21 C ATOM 1111 CD GLN A 77 -13.101 6.628 6.115 1.00 4.20 C ATOM 1112 OE1 GLN A 77 -12.124 6.282 6.759 1.00 1.54 O ATOM 1113 NE2 GLN A 77 -13.383 7.886 5.913 1.00 31.23 N ATOM 0 H GLN A 77 -13.708 4.968 2.891 1.00 15.12 H new ATOM 0 HA GLN A 77 -11.578 4.918 4.680 1.00 62.50 H new ATOM 0 HB2 GLN A 77 -14.299 3.601 4.898 1.00 2.42 H new ATOM 0 HB3 GLN A 77 -13.176 3.804 6.228 1.00 2.42 H new ATOM 0 HG2 GLN A 77 -14.549 6.007 4.667 1.00 21.21 H new ATOM 0 HG3 GLN A 77 -14.910 5.501 6.306 1.00 21.21 H new ATOM 0 HE21 GLN A 77 -14.207 8.143 5.370 1.00 31.23 H new ATOM 0 HE22 GLN A 77 -12.779 8.612 6.298 1.00 31.23 H new ATOM 1122 N TYR A 78 -12.419 1.988 3.372 1.00 63.21 N ATOM 1123 CA TYR A 78 -11.989 0.611 3.243 1.00 32.04 C ATOM 1124 C TYR A 78 -10.756 0.522 2.357 1.00 13.04 C ATOM 1125 O TYR A 78 -9.831 -0.245 2.612 1.00 62.41 O ATOM 1126 CB TYR A 78 -13.095 -0.277 2.644 1.00 31.54 C ATOM 1127 CG TYR A 78 -12.645 -1.721 2.456 1.00 62.34 C ATOM 1128 CD1 TYR A 78 -12.556 -2.584 3.538 1.00 54.45 C ATOM 1129 CD2 TYR A 78 -12.275 -2.207 1.201 1.00 1.42 C ATOM 1130 CE1 TYR A 78 -12.121 -3.882 3.384 1.00 44.42 C ATOM 1131 CE2 TYR A 78 -11.834 -3.508 1.042 1.00 71.01 C ATOM 1132 CZ TYR A 78 -11.760 -4.340 2.138 1.00 32.34 C ATOM 1133 OH TYR A 78 -11.322 -5.643 1.991 1.00 43.54 O ATOM 0 H TYR A 78 -13.221 2.243 2.795 1.00 63.21 H new ATOM 0 HA TYR A 78 -11.757 0.253 4.246 1.00 32.04 H new ATOM 0 HB2 TYR A 78 -13.968 -0.254 3.296 1.00 31.54 H new ATOM 0 HB3 TYR A 78 -13.404 0.132 1.682 1.00 31.54 H new ATOM 0 HD1 TYR A 78 -12.833 -2.232 4.521 1.00 54.45 H new ATOM 0 HD2 TYR A 78 -12.334 -1.557 0.341 1.00 1.42 H new ATOM 0 HE1 TYR A 78 -12.063 -4.539 4.240 1.00 44.42 H new ATOM 0 HE2 TYR A 78 -11.549 -3.870 0.065 1.00 71.01 H new ATOM 0 HH TYR A 78 -11.107 -5.812 1.050 1.00 43.54 H new ATOM 1143 N MET A 79 -10.752 1.308 1.308 1.00 2.22 N ATOM 1144 CA MET A 79 -9.684 1.233 0.347 1.00 32.40 C ATOM 1145 C MET A 79 -8.395 1.799 0.907 1.00 41.52 C ATOM 1146 O MET A 79 -7.343 1.162 0.817 1.00 11.33 O ATOM 1147 CB MET A 79 -10.052 1.916 -0.960 1.00 40.45 C ATOM 1148 CG MET A 79 -9.056 1.637 -2.081 1.00 34.14 C ATOM 1149 SD MET A 79 -8.938 -0.122 -2.486 1.00 60.44 S ATOM 1150 CE MET A 79 -10.608 -0.482 -3.018 1.00 53.53 C ATOM 0 H MET A 79 -11.471 2.001 1.101 1.00 2.22 H new ATOM 0 HA MET A 79 -9.523 0.177 0.132 1.00 32.40 H new ATOM 0 HB2 MET A 79 -11.042 1.583 -1.271 1.00 40.45 H new ATOM 0 HB3 MET A 79 -10.114 2.992 -0.796 1.00 40.45 H new ATOM 0 HG2 MET A 79 -9.352 2.192 -2.971 1.00 34.14 H new ATOM 0 HG3 MET A 79 -8.073 2.005 -1.788 1.00 34.14 H new ATOM 0 HE1 MET A 79 -10.687 -1.537 -3.281 1.00 53.53 H new ATOM 0 HE2 MET A 79 -11.304 -0.257 -2.210 1.00 53.53 H new ATOM 0 HE3 MET A 79 -10.852 0.128 -3.888 1.00 53.53 H new ATOM 1160 N LYS A 80 -8.467 2.978 1.538 1.00 75.02 N ATOM 1161 CA LYS A 80 -7.262 3.564 2.058 1.00 51.43 C ATOM 1162 C LYS A 80 -6.738 2.739 3.203 1.00 72.10 C ATOM 1163 O LYS A 80 -5.561 2.658 3.364 1.00 25.11 O ATOM 1164 CB LYS A 80 -7.377 5.059 2.425 1.00 22.34 C ATOM 1165 CG LYS A 80 -5.997 5.689 2.675 1.00 73.23 C ATOM 1166 CD LYS A 80 -6.056 7.135 3.141 1.00 43.20 C ATOM 1167 CE LYS A 80 -6.582 7.265 4.561 1.00 31.53 C ATOM 1168 NZ LYS A 80 -5.755 6.498 5.538 1.00 72.13 N ATOM 0 H LYS A 80 -9.321 3.515 1.689 1.00 75.02 H new ATOM 0 HA LYS A 80 -6.539 3.548 1.243 1.00 51.43 H new ATOM 0 HB2 LYS A 80 -7.881 5.594 1.620 1.00 22.34 H new ATOM 0 HB3 LYS A 80 -7.994 5.169 3.317 1.00 22.34 H new ATOM 0 HG2 LYS A 80 -5.468 5.098 3.423 1.00 73.23 H new ATOM 0 HG3 LYS A 80 -5.413 5.637 1.756 1.00 73.23 H new ATOM 0 HD2 LYS A 80 -5.060 7.573 3.084 1.00 43.20 H new ATOM 0 HD3 LYS A 80 -6.694 7.706 2.466 1.00 43.20 H new ATOM 0 HE2 LYS A 80 -6.597 8.317 4.847 1.00 31.53 H new ATOM 0 HE3 LYS A 80 -7.612 6.909 4.600 1.00 31.53 H new ATOM 0 HZ1 LYS A 80 -5.945 6.843 6.500 1.00 72.13 H new ATOM 0 HZ2 LYS A 80 -5.996 5.488 5.479 1.00 72.13 H new ATOM 0 HZ3 LYS A 80 -4.747 6.627 5.317 1.00 72.13 H new ATOM 1182 N GLU A 81 -7.647 2.082 3.940 1.00 75.02 N ATOM 1183 CA GLU A 81 -7.292 1.122 5.002 1.00 5.21 C ATOM 1184 C GLU A 81 -6.255 0.132 4.445 1.00 22.32 C ATOM 1185 O GLU A 81 -5.148 0.005 4.961 1.00 74.11 O ATOM 1186 CB GLU A 81 -8.566 0.360 5.405 1.00 22.22 C ATOM 1187 CG GLU A 81 -8.393 -0.749 6.425 1.00 21.53 C ATOM 1188 CD GLU A 81 -9.650 -1.593 6.554 1.00 72.44 C ATOM 1189 OE1 GLU A 81 -9.889 -2.450 5.651 1.00 35.42 O ATOM 1190 OE2 GLU A 81 -10.396 -1.432 7.525 1.00 10.40 O ATOM 0 H GLU A 81 -8.653 2.201 3.817 1.00 75.02 H new ATOM 0 HA GLU A 81 -6.875 1.637 5.868 1.00 5.21 H new ATOM 0 HB2 GLU A 81 -9.284 1.079 5.800 1.00 22.22 H new ATOM 0 HB3 GLU A 81 -9.007 -0.069 4.505 1.00 22.22 H new ATOM 0 HG2 GLU A 81 -7.556 -1.384 6.134 1.00 21.53 H new ATOM 0 HG3 GLU A 81 -8.143 -0.317 7.394 1.00 21.53 H new ATOM 1197 N LYS A 82 -6.611 -0.473 3.324 1.00 74.11 N ATOM 1198 CA LYS A 82 -5.774 -1.444 2.643 1.00 65.01 C ATOM 1199 C LYS A 82 -4.494 -0.805 2.080 1.00 1.14 C ATOM 1200 O LYS A 82 -3.446 -1.445 2.027 1.00 32.13 O ATOM 1201 CB LYS A 82 -6.599 -2.163 1.567 1.00 71.32 C ATOM 1202 CG LYS A 82 -7.699 -3.038 2.169 1.00 12.24 C ATOM 1203 CD LYS A 82 -7.115 -4.315 2.761 1.00 22.12 C ATOM 1204 CE LYS A 82 -8.010 -4.935 3.830 1.00 23.14 C ATOM 1205 NZ LYS A 82 -8.036 -4.114 5.062 1.00 42.55 N ATOM 0 H LYS A 82 -7.501 -0.301 2.856 1.00 74.11 H new ATOM 0 HA LYS A 82 -5.434 -2.187 3.365 1.00 65.01 H new ATOM 0 HB2 LYS A 82 -7.048 -1.425 0.902 1.00 71.32 H new ATOM 0 HB3 LYS A 82 -5.939 -2.781 0.958 1.00 71.32 H new ATOM 0 HG2 LYS A 82 -8.228 -2.482 2.943 1.00 12.24 H new ATOM 0 HG3 LYS A 82 -8.430 -3.290 1.401 1.00 12.24 H new ATOM 0 HD2 LYS A 82 -6.955 -5.040 1.963 1.00 22.12 H new ATOM 0 HD3 LYS A 82 -6.139 -4.096 3.193 1.00 22.12 H new ATOM 0 HE2 LYS A 82 -9.023 -5.041 3.441 1.00 23.14 H new ATOM 0 HE3 LYS A 82 -7.653 -5.937 4.067 1.00 23.14 H new ATOM 0 HZ1 LYS A 82 -8.035 -4.737 5.895 1.00 42.55 H new ATOM 0 HZ2 LYS A 82 -7.197 -3.500 5.088 1.00 42.55 H new ATOM 0 HZ3 LYS A 82 -8.894 -3.527 5.070 1.00 42.55 H new ATOM 1219 N ASN A 83 -4.580 0.452 1.660 1.00 43.11 N ATOM 1220 CA ASN A 83 -3.377 1.189 1.224 1.00 74.24 C ATOM 1221 C ASN A 83 -2.467 1.526 2.418 1.00 23.42 C ATOM 1222 O ASN A 83 -1.244 1.535 2.283 1.00 42.22 O ATOM 1223 CB ASN A 83 -3.710 2.492 0.453 1.00 73.22 C ATOM 1224 CG ASN A 83 -4.231 2.292 -0.975 1.00 2.33 C ATOM 1225 OD1 ASN A 83 -5.416 2.125 -1.184 1.00 62.22 O ATOM 1226 ND2 ASN A 83 -3.352 2.379 -1.954 1.00 52.23 N ATOM 0 H ASN A 83 -5.449 0.983 1.608 1.00 43.11 H new ATOM 0 HA ASN A 83 -2.855 0.521 0.540 1.00 74.24 H new ATOM 0 HB2 ASN A 83 -4.456 3.050 1.020 1.00 73.22 H new ATOM 0 HB3 ASN A 83 -2.813 3.110 0.412 1.00 73.22 H new ATOM 0 HD21 ASN A 83 -3.660 2.306 -2.924 1.00 52.23 H new ATOM 0 HD22 ASN A 83 -2.364 2.519 -1.742 1.00 52.23 H new ATOM 1345 N LEU A 92 14.661 -3.773 3.188 1.00 15.12 N ATOM 1346 CA LEU A 92 15.766 -3.060 2.583 1.00 43.43 C ATOM 1347 C LEU A 92 16.942 -3.081 3.547 1.00 13.22 C ATOM 1348 O LEU A 92 18.054 -3.361 3.155 1.00 4.32 O ATOM 1349 CB LEU A 92 15.346 -1.615 2.307 1.00 41.52 C ATOM 1350 CG LEU A 92 16.376 -0.676 1.703 1.00 24.55 C ATOM 1351 CD1 LEU A 92 16.783 -1.149 0.336 1.00 54.20 C ATOM 1352 CD2 LEU A 92 15.814 0.727 1.636 1.00 53.04 C ATOM 0 HA LEU A 92 16.051 -3.533 1.643 1.00 43.43 H new ATOM 0 HB2 LEU A 92 14.484 -1.639 1.640 1.00 41.52 H new ATOM 0 HB3 LEU A 92 15.008 -1.180 3.248 1.00 41.52 H new ATOM 0 HG LEU A 92 17.263 -0.670 2.337 1.00 24.55 H new ATOM 0 HD11 LEU A 92 17.521 -0.464 -0.081 1.00 54.20 H new ATOM 0 HD12 LEU A 92 17.215 -2.147 0.410 1.00 54.20 H new ATOM 0 HD13 LEU A 92 15.908 -1.179 -0.314 1.00 54.20 H new ATOM 0 HD21 LEU A 92 16.557 1.396 1.202 1.00 53.04 H new ATOM 0 HD22 LEU A 92 14.917 0.730 1.017 1.00 53.04 H new ATOM 0 HD23 LEU A 92 15.563 1.067 2.641 1.00 53.04 H new ATOM 1364 N ASN A 93 16.626 -2.918 4.831 1.00 24.05 N ATOM 1365 CA ASN A 93 17.611 -2.856 5.908 1.00 64.22 C ATOM 1366 C ASN A 93 18.229 -4.222 6.174 1.00 13.11 C ATOM 1367 O ASN A 93 19.316 -4.316 6.750 1.00 52.45 O ATOM 1368 CB ASN A 93 16.976 -2.306 7.196 1.00 45.43 C ATOM 1369 CG ASN A 93 16.499 -0.869 7.057 1.00 43.34 C ATOM 1370 OD1 ASN A 93 17.084 -0.072 6.321 1.00 23.51 O ATOM 1371 ND2 ASN A 93 15.429 -0.534 7.728 1.00 74.41 N ATOM 0 H ASN A 93 15.664 -2.824 5.156 1.00 24.05 H new ATOM 0 HA ASN A 93 18.403 -2.179 5.588 1.00 64.22 H new ATOM 0 HB2 ASN A 93 16.133 -2.937 7.477 1.00 45.43 H new ATOM 0 HB3 ASN A 93 17.702 -2.365 8.006 1.00 45.43 H new ATOM 0 HD21 ASN A 93 15.054 0.411 7.651 1.00 74.41 H new ATOM 0 HD22 ASN A 93 14.969 -1.218 8.329 1.00 74.41 H new ATOM 1378 N GLU A 94 17.549 -5.277 5.733 1.00 44.23 N ATOM 1379 CA GLU A 94 18.012 -6.644 5.923 1.00 73.33 C ATOM 1380 C GLU A 94 19.279 -6.860 5.091 1.00 24.13 C ATOM 1381 O GLU A 94 20.397 -6.871 5.630 1.00 30.44 O ATOM 1382 CB GLU A 94 16.888 -7.616 5.511 1.00 32.00 C ATOM 1383 CG GLU A 94 17.212 -9.098 5.569 1.00 51.42 C ATOM 1384 CD GLU A 94 16.038 -9.935 5.091 1.00 3.34 C ATOM 1385 OE1 GLU A 94 15.892 -10.123 3.856 1.00 22.33 O ATOM 1386 OE2 GLU A 94 15.247 -10.378 5.932 1.00 52.42 O ATOM 0 H GLU A 94 16.662 -5.206 5.234 1.00 44.23 H new ATOM 0 HA GLU A 94 18.256 -6.830 6.969 1.00 73.33 H new ATOM 0 HB2 GLU A 94 16.026 -7.431 6.152 1.00 32.00 H new ATOM 0 HB3 GLU A 94 16.585 -7.374 4.492 1.00 32.00 H new ATOM 0 HG2 GLU A 94 18.086 -9.306 4.952 1.00 51.42 H new ATOM 0 HG3 GLU A 94 17.469 -9.377 6.591 1.00 51.42 H new ATOM 1393 N ILE A 95 19.114 -6.897 3.774 1.00 51.01 N ATOM 1394 CA ILE A 95 20.235 -7.095 2.856 1.00 24.11 C ATOM 1395 C ILE A 95 21.296 -5.992 3.060 1.00 44.12 C ATOM 1396 O ILE A 95 22.502 -6.257 3.078 1.00 23.33 O ATOM 1397 CB ILE A 95 19.753 -7.160 1.354 1.00 44.35 C ATOM 1398 CG1 ILE A 95 20.923 -7.372 0.379 1.00 22.42 C ATOM 1399 CG2 ILE A 95 18.946 -5.929 0.952 1.00 21.54 C ATOM 1400 CD1 ILE A 95 21.641 -8.698 0.537 1.00 13.31 C ATOM 0 H ILE A 95 18.210 -6.792 3.313 1.00 51.01 H new ATOM 0 HA ILE A 95 20.693 -8.058 3.084 1.00 24.11 H new ATOM 0 HB ILE A 95 19.096 -8.028 1.288 1.00 44.35 H new ATOM 0 HG12 ILE A 95 20.547 -7.296 -0.641 1.00 22.42 H new ATOM 0 HG13 ILE A 95 21.643 -6.565 0.514 1.00 22.42 H new ATOM 0 HG21 ILE A 95 18.637 -6.021 -0.089 1.00 21.54 H new ATOM 0 HG22 ILE A 95 18.063 -5.849 1.587 1.00 21.54 H new ATOM 0 HG23 ILE A 95 19.560 -5.036 1.071 1.00 21.54 H new ATOM 0 HD11 ILE A 95 22.451 -8.762 -0.190 1.00 13.31 H new ATOM 0 HD12 ILE A 95 22.051 -8.772 1.544 1.00 13.31 H new ATOM 0 HD13 ILE A 95 20.938 -9.514 0.370 1.00 13.31 H new ATOM 1412 N PHE A 96 20.817 -4.791 3.330 1.00 65.10 N ATOM 1413 CA PHE A 96 21.639 -3.613 3.542 1.00 73.04 C ATOM 1414 C PHE A 96 22.635 -3.827 4.685 1.00 3.04 C ATOM 1415 O PHE A 96 23.799 -3.413 4.590 1.00 42.21 O ATOM 1416 CB PHE A 96 20.714 -2.455 3.867 1.00 11.35 C ATOM 1417 CG PHE A 96 21.322 -1.108 3.907 1.00 31.14 C ATOM 1418 CD1 PHE A 96 21.591 -0.436 2.737 1.00 31.34 C ATOM 1419 CD2 PHE A 96 21.585 -0.492 5.111 1.00 22.53 C ATOM 1420 CE1 PHE A 96 22.117 0.826 2.765 1.00 70.15 C ATOM 1421 CE2 PHE A 96 22.116 0.768 5.144 1.00 72.11 C ATOM 1422 CZ PHE A 96 22.381 1.431 3.970 1.00 63.41 C ATOM 0 H PHE A 96 19.818 -4.603 3.410 1.00 65.10 H new ATOM 0 HA PHE A 96 22.219 -3.406 2.643 1.00 73.04 H new ATOM 0 HB2 PHE A 96 19.911 -2.444 3.130 1.00 11.35 H new ATOM 0 HB3 PHE A 96 20.254 -2.649 4.836 1.00 11.35 H new ATOM 0 HD1 PHE A 96 21.385 -0.909 1.788 1.00 31.34 H new ATOM 0 HD2 PHE A 96 21.370 -1.008 6.035 1.00 22.53 H new ATOM 0 HE1 PHE A 96 22.325 1.346 1.842 1.00 70.15 H new ATOM 0 HE2 PHE A 96 22.327 1.241 6.092 1.00 72.11 H new ATOM 0 HZ PHE A 96 22.797 2.427 3.994 1.00 63.41 H new ATOM 1432 N SER A 97 22.216 -4.536 5.732 1.00 44.03 N ATOM 1433 CA SER A 97 23.083 -4.719 6.872 1.00 73.35 C ATOM 1434 C SER A 97 24.029 -5.893 6.657 1.00 53.33 C ATOM 1435 O SER A 97 24.984 -6.072 7.393 1.00 25.24 O ATOM 1436 CB SER A 97 22.279 -4.831 8.177 1.00 70.14 C ATOM 1437 OG SER A 97 21.244 -5.785 8.068 1.00 73.43 O ATOM 0 H SER A 97 21.301 -4.980 5.806 1.00 44.03 H new ATOM 0 HA SER A 97 23.706 -3.830 6.973 1.00 73.35 H new ATOM 0 HB2 SER A 97 22.946 -5.108 8.994 1.00 70.14 H new ATOM 0 HB3 SER A 97 21.854 -3.859 8.428 1.00 70.14 H new ATOM 0 HG SER A 97 20.454 -5.366 7.666 1.00 73.43 H new ATOM 1443 N THR A 98 23.775 -6.661 5.609 1.00 3.31 N ATOM 1444 CA THR A 98 24.638 -7.756 5.252 1.00 20.42 C ATOM 1445 C THR A 98 25.745 -7.209 4.342 1.00 43.21 C ATOM 1446 O THR A 98 26.885 -7.649 4.374 1.00 45.13 O ATOM 1447 CB THR A 98 23.833 -8.826 4.491 1.00 64.13 C ATOM 1448 OG1 THR A 98 22.635 -9.126 5.224 1.00 73.52 O ATOM 1449 CG2 THR A 98 24.644 -10.107 4.316 1.00 10.20 C ATOM 0 H THR A 98 22.971 -6.538 4.993 1.00 3.31 H new ATOM 0 HA THR A 98 25.065 -8.207 6.148 1.00 20.42 H new ATOM 0 HB THR A 98 23.589 -8.434 3.504 1.00 64.13 H new ATOM 0 HG1 THR A 98 22.118 -9.805 4.743 1.00 73.52 H new ATOM 0 HG21 THR A 98 24.049 -10.843 3.775 1.00 10.20 H new ATOM 0 HG22 THR A 98 25.551 -9.889 3.753 1.00 10.20 H new ATOM 0 HG23 THR A 98 24.912 -10.505 5.295 1.00 10.20 H new ATOM 1457 N ILE A 99 25.379 -6.218 3.555 1.00 51.34 N ATOM 1458 CA ILE A 99 26.284 -5.584 2.618 1.00 73.54 C ATOM 1459 C ILE A 99 27.230 -4.616 3.329 1.00 70.40 C ATOM 1460 O ILE A 99 28.441 -4.765 3.254 1.00 44.53 O ATOM 1461 CB ILE A 99 25.500 -4.779 1.581 1.00 73.34 C ATOM 1462 CG1 ILE A 99 24.506 -5.651 0.815 1.00 61.21 C ATOM 1463 CG2 ILE A 99 26.450 -4.078 0.609 1.00 53.42 C ATOM 1464 CD1 ILE A 99 23.674 -4.889 -0.195 1.00 15.21 C ATOM 0 H ILE A 99 24.437 -5.827 3.548 1.00 51.34 H new ATOM 0 HA ILE A 99 26.856 -6.380 2.140 1.00 73.54 H new ATOM 0 HB ILE A 99 24.929 -4.025 2.123 1.00 73.34 H new ATOM 0 HG12 ILE A 99 25.052 -6.441 0.299 1.00 61.21 H new ATOM 0 HG13 ILE A 99 23.840 -6.137 1.527 1.00 61.21 H new ATOM 0 HG21 ILE A 99 25.871 -3.511 -0.120 1.00 53.42 H new ATOM 0 HG22 ILE A 99 27.101 -3.400 1.161 1.00 53.42 H new ATOM 0 HG23 ILE A 99 27.056 -4.822 0.092 1.00 53.42 H new ATOM 0 HD11 ILE A 99 22.993 -5.576 -0.698 1.00 15.21 H new ATOM 0 HD12 ILE A 99 23.099 -4.117 0.316 1.00 15.21 H new ATOM 0 HD13 ILE A 99 24.330 -4.425 -0.931 1.00 15.21 H new ATOM 1476 N ALA A 100 26.657 -3.631 4.036 1.00 41.31 N ATOM 1477 CA ALA A 100 27.423 -2.540 4.698 1.00 64.43 C ATOM 1478 C ALA A 100 28.145 -3.027 5.939 1.00 73.34 C ATOM 1479 O ALA A 100 28.860 -2.271 6.588 1.00 23.12 O ATOM 1480 CB ALA A 100 26.485 -1.405 5.065 1.00 24.50 C ATOM 0 H ALA A 100 25.649 -3.559 4.171 1.00 41.31 H new ATOM 0 HA ALA A 100 28.176 -2.189 3.992 1.00 64.43 H new ATOM 0 HB1 ALA A 100 27.050 -0.608 5.549 1.00 24.50 H new ATOM 0 HB2 ALA A 100 26.012 -1.018 4.163 1.00 24.50 H new ATOM 0 HB3 ALA A 100 25.718 -1.773 5.747 1.00 24.50 H new ATOM 1486 N ALA A 101 27.962 -4.280 6.216 1.00 73.20 N ATOM 1487 CA ALA A 101 28.508 -4.971 7.347 1.00 33.03 C ATOM 1488 C ALA A 101 30.029 -4.773 7.483 1.00 33.51 C ATOM 1489 O ALA A 101 30.804 -5.210 6.629 1.00 2.24 O ATOM 1490 CB ALA A 101 28.171 -6.431 7.180 1.00 53.32 C ATOM 0 H ALA A 101 27.394 -4.886 5.624 1.00 73.20 H new ATOM 0 HA ALA A 101 28.076 -4.567 8.263 1.00 33.03 H new ATOM 0 HB1 ALA A 101 28.570 -6.995 8.023 1.00 53.32 H new ATOM 0 HB2 ALA A 101 27.088 -6.552 7.142 1.00 53.32 H new ATOM 0 HB3 ALA A 101 28.611 -6.802 6.254 1.00 53.32 H new ATOM 1496 N GLY A 102 30.428 -4.050 8.519 1.00 0.53 N ATOM 1497 CA GLY A 102 31.842 -3.868 8.811 1.00 40.42 C ATOM 1498 C GLY A 102 32.392 -2.563 8.278 1.00 20.12 C ATOM 1499 O GLY A 102 33.565 -2.259 8.455 1.00 55.52 O ATOM 0 H GLY A 102 29.796 -3.582 9.169 1.00 0.53 H new ATOM 0 HA2 GLY A 102 31.992 -3.906 9.890 1.00 40.42 H new ATOM 0 HA3 GLY A 102 32.406 -4.696 8.381 1.00 40.42 H new ATOM 1503 N LYS A 103 31.553 -1.804 7.628 1.00 23.23 N ATOM 1504 CA LYS A 103 31.943 -0.531 7.055 1.00 72.42 C ATOM 1505 C LYS A 103 31.303 0.616 7.813 1.00 34.32 C ATOM 1506 O LYS A 103 30.601 0.395 8.799 1.00 73.11 O ATOM 1507 CB LYS A 103 31.553 -0.507 5.571 1.00 52.25 C ATOM 1508 CG LYS A 103 32.485 -1.337 4.693 1.00 33.12 C ATOM 1509 CD LYS A 103 31.895 -1.672 3.336 1.00 53.42 C ATOM 1510 CE LYS A 103 30.846 -2.746 3.474 1.00 0.31 C ATOM 1511 NZ LYS A 103 30.253 -3.142 2.185 1.00 54.45 N ATOM 0 H LYS A 103 30.574 -2.046 7.476 1.00 23.23 H new ATOM 0 HA LYS A 103 33.023 -0.410 7.137 1.00 72.42 H new ATOM 0 HB2 LYS A 103 30.534 -0.880 5.463 1.00 52.25 H new ATOM 0 HB3 LYS A 103 31.554 0.524 5.218 1.00 52.25 H new ATOM 0 HG2 LYS A 103 33.418 -0.793 4.551 1.00 33.12 H new ATOM 0 HG3 LYS A 103 32.732 -2.263 5.212 1.00 33.12 H new ATOM 0 HD2 LYS A 103 31.455 -0.779 2.892 1.00 53.42 H new ATOM 0 HD3 LYS A 103 32.683 -2.008 2.662 1.00 53.42 H new ATOM 0 HE2 LYS A 103 31.291 -3.622 3.947 1.00 0.31 H new ATOM 0 HE3 LYS A 103 30.057 -2.392 4.137 1.00 0.31 H new ATOM 0 HZ1 LYS A 103 29.528 -3.870 2.346 1.00 54.45 H new ATOM 0 HZ2 LYS A 103 29.817 -2.312 1.734 1.00 54.45 H new ATOM 0 HZ3 LYS A 103 30.995 -3.524 1.564 1.00 54.45 H new ATOM 1525 N ASP A 104 31.592 1.819 7.401 1.00 43.22 N ATOM 1526 CA ASP A 104 30.958 3.012 7.949 1.00 2.20 C ATOM 1527 C ASP A 104 30.027 3.579 6.876 1.00 0.13 C ATOM 1528 O ASP A 104 28.851 3.896 7.130 1.00 41.23 O ATOM 1529 CB ASP A 104 32.032 4.072 8.339 1.00 70.54 C ATOM 1530 CG ASP A 104 32.782 4.617 7.129 1.00 54.34 C ATOM 1531 OD1 ASP A 104 33.402 3.808 6.404 1.00 23.41 O ATOM 1532 OD2 ASP A 104 32.667 5.823 6.834 1.00 20.14 O ATOM 0 H ASP A 104 32.277 2.013 6.671 1.00 43.22 H new ATOM 0 HA ASP A 104 30.397 2.759 8.849 1.00 2.20 H new ATOM 0 HB2 ASP A 104 31.550 4.896 8.865 1.00 70.54 H new ATOM 0 HB3 ASP A 104 32.744 3.625 9.032 1.00 70.54 H new ATOM 1537 N SER A 105 30.550 3.642 5.677 1.00 43.35 N ATOM 1538 CA SER A 105 29.874 4.157 4.551 1.00 73.41 C ATOM 1539 C SER A 105 29.590 3.044 3.562 1.00 61.24 C ATOM 1540 O SER A 105 30.434 2.177 3.313 1.00 1.14 O ATOM 1541 CB SER A 105 30.749 5.221 3.892 1.00 4.31 C ATOM 1542 OG SER A 105 31.064 6.267 4.799 1.00 15.23 O ATOM 0 H SER A 105 31.495 3.319 5.469 1.00 43.35 H new ATOM 0 HA SER A 105 28.927 4.598 4.864 1.00 73.41 H new ATOM 0 HB2 SER A 105 31.669 4.763 3.528 1.00 4.31 H new ATOM 0 HB3 SER A 105 30.233 5.633 3.025 1.00 4.31 H new ATOM 0 HG SER A 105 31.918 6.073 5.239 1.00 15.23 H new ATOM 1548 N ILE A 106 28.408 3.050 3.039 1.00 23.34 N ATOM 1549 CA ILE A 106 28.018 2.125 2.011 1.00 1.13 C ATOM 1550 C ILE A 106 27.838 2.892 0.705 1.00 14.21 C ATOM 1551 O ILE A 106 27.124 3.864 0.663 1.00 15.14 O ATOM 1552 CB ILE A 106 26.742 1.323 2.425 1.00 74.43 C ATOM 1553 CG1 ILE A 106 26.191 0.541 1.259 1.00 55.15 C ATOM 1554 CG2 ILE A 106 25.660 2.241 2.984 1.00 40.24 C ATOM 1555 CD1 ILE A 106 25.258 -0.579 1.660 1.00 22.14 C ATOM 0 H ILE A 106 27.673 3.702 3.312 1.00 23.34 H new ATOM 0 HA ILE A 106 28.799 1.379 1.865 1.00 1.13 H new ATOM 0 HB ILE A 106 27.043 0.627 3.208 1.00 74.43 H new ATOM 0 HG12 ILE A 106 25.660 1.223 0.595 1.00 55.15 H new ATOM 0 HG13 ILE A 106 27.021 0.123 0.689 1.00 55.15 H new ATOM 0 HG21 ILE A 106 24.788 1.649 3.261 1.00 40.24 H new ATOM 0 HG22 ILE A 106 26.041 2.759 3.864 1.00 40.24 H new ATOM 0 HG23 ILE A 106 25.376 2.972 2.227 1.00 40.24 H new ATOM 0 HD11 ILE A 106 24.903 -1.094 0.767 1.00 22.14 H new ATOM 0 HD12 ILE A 106 25.790 -1.284 2.299 1.00 22.14 H new ATOM 0 HD13 ILE A 106 24.407 -0.167 2.203 1.00 22.14 H new ATOM 1567 N THR A 107 28.534 2.504 -0.320 1.00 42.10 N ATOM 1568 CA THR A 107 28.498 3.228 -1.575 1.00 62.34 C ATOM 1569 C THR A 107 27.387 2.707 -2.505 1.00 65.55 C ATOM 1570 O THR A 107 26.839 1.583 -2.277 1.00 13.41 O ATOM 1571 CB THR A 107 29.881 3.140 -2.271 1.00 73.01 C ATOM 1572 OG1 THR A 107 30.324 1.773 -2.319 1.00 53.10 O ATOM 1573 CG2 THR A 107 30.921 3.971 -1.529 1.00 11.14 C ATOM 0 H THR A 107 29.141 1.685 -0.321 1.00 42.10 H new ATOM 0 HA THR A 107 28.270 4.271 -1.357 1.00 62.34 H new ATOM 0 HB THR A 107 29.770 3.531 -3.282 1.00 73.01 H new ATOM 0 HG1 THR A 107 31.197 1.727 -2.762 1.00 53.10 H new ATOM 0 HG21 THR A 107 31.881 3.891 -2.038 1.00 11.14 H new ATOM 0 HG22 THR A 107 30.606 5.014 -1.509 1.00 11.14 H new ATOM 0 HG23 THR A 107 31.020 3.602 -0.508 1.00 11.14 H new ATOM 1581 N GLU A 108 27.040 3.493 -3.553 1.00 4.53 N ATOM 1582 CA GLU A 108 26.037 3.050 -4.523 1.00 64.21 C ATOM 1583 C GLU A 108 26.427 1.725 -5.062 1.00 40.33 C ATOM 1584 O GLU A 108 25.704 0.774 -4.923 1.00 13.03 O ATOM 1585 CB GLU A 108 25.849 3.992 -5.706 1.00 23.53 C ATOM 1586 CG GLU A 108 25.038 3.312 -6.824 1.00 51.21 C ATOM 1587 CD GLU A 108 24.791 4.200 -8.022 1.00 55.35 C ATOM 1588 OE1 GLU A 108 23.786 4.941 -8.013 1.00 61.44 O ATOM 1589 OE2 GLU A 108 25.568 4.136 -8.986 1.00 34.21 O ATOM 0 H GLU A 108 27.436 4.415 -3.737 1.00 4.53 H new ATOM 0 HA GLU A 108 25.094 3.019 -3.977 1.00 64.21 H new ATOM 0 HB2 GLU A 108 25.337 4.897 -5.378 1.00 23.53 H new ATOM 0 HB3 GLU A 108 26.822 4.298 -6.091 1.00 23.53 H new ATOM 0 HG2 GLU A 108 25.566 2.416 -7.150 1.00 51.21 H new ATOM 0 HG3 GLU A 108 24.079 2.988 -6.419 1.00 51.21 H new ATOM 1596 N THR A 109 27.595 1.679 -5.632 1.00 64.33 N ATOM 1597 CA THR A 109 28.169 0.502 -6.202 1.00 30.13 C ATOM 1598 C THR A 109 28.304 -0.625 -5.169 1.00 61.51 C ATOM 1599 O THR A 109 28.516 -1.746 -5.529 1.00 15.01 O ATOM 1600 CB THR A 109 29.499 0.849 -6.860 1.00 11.32 C ATOM 1601 OG1 THR A 109 29.318 2.047 -7.629 1.00 23.41 O ATOM 1602 CG2 THR A 109 29.993 -0.265 -7.781 1.00 61.33 C ATOM 0 H THR A 109 28.197 2.498 -5.714 1.00 64.33 H new ATOM 0 HA THR A 109 27.498 0.121 -6.971 1.00 30.13 H new ATOM 0 HB THR A 109 30.246 0.984 -6.078 1.00 11.32 H new ATOM 0 HG1 THR A 109 30.164 2.290 -8.060 1.00 23.41 H new ATOM 0 HG21 THR A 109 30.944 0.027 -8.227 1.00 61.33 H new ATOM 0 HG22 THR A 109 30.128 -1.180 -7.205 1.00 61.33 H new ATOM 0 HG23 THR A 109 29.260 -0.438 -8.569 1.00 61.33 H new ATOM 1610 N ASP A 110 28.229 -0.313 -3.886 1.00 33.23 N ATOM 1611 CA ASP A 110 28.267 -1.350 -2.881 1.00 64.52 C ATOM 1612 C ASP A 110 26.878 -2.014 -2.785 1.00 43.50 C ATOM 1613 O ASP A 110 26.782 -3.228 -2.682 1.00 45.11 O ATOM 1614 CB ASP A 110 28.742 -0.801 -1.537 1.00 4.34 C ATOM 1615 CG ASP A 110 29.120 -1.871 -0.548 1.00 41.11 C ATOM 1616 OD1 ASP A 110 29.841 -2.846 -0.935 1.00 63.22 O ATOM 1617 OD2 ASP A 110 28.764 -1.749 0.630 1.00 32.21 O ATOM 0 H ASP A 110 28.143 0.637 -3.524 1.00 33.23 H new ATOM 0 HA ASP A 110 28.992 -2.111 -3.171 1.00 64.52 H new ATOM 0 HB2 ASP A 110 29.601 -0.151 -1.703 1.00 4.34 H new ATOM 0 HB3 ASP A 110 27.954 -0.183 -1.107 1.00 4.34 H new ATOM 1622 N MET A 111 25.808 -1.199 -2.893 1.00 24.21 N ATOM 1623 CA MET A 111 24.392 -1.731 -2.920 1.00 61.33 C ATOM 1624 C MET A 111 24.004 -2.238 -4.308 1.00 61.13 C ATOM 1625 O MET A 111 23.572 -3.366 -4.463 1.00 52.51 O ATOM 1626 CB MET A 111 23.376 -0.665 -2.552 1.00 24.01 C ATOM 1627 CG MET A 111 23.443 -0.165 -1.149 1.00 35.25 C ATOM 1628 SD MET A 111 22.221 1.110 -0.831 1.00 53.40 S ATOM 1629 CE MET A 111 22.678 2.317 -2.061 1.00 33.25 C ATOM 0 H MET A 111 25.874 -0.184 -2.963 1.00 24.21 H new ATOM 0 HA MET A 111 24.378 -2.542 -2.192 1.00 61.33 H new ATOM 0 HB2 MET A 111 23.504 0.182 -3.226 1.00 24.01 H new ATOM 0 HB3 MET A 111 22.377 -1.065 -2.729 1.00 24.01 H new ATOM 0 HG2 MET A 111 23.288 -0.996 -0.460 1.00 35.25 H new ATOM 0 HG3 MET A 111 24.439 0.231 -0.952 1.00 35.25 H new ATOM 0 HE1 MET A 111 22.335 3.303 -1.748 1.00 33.25 H new ATOM 0 HE2 MET A 111 23.762 2.329 -2.174 1.00 33.25 H new ATOM 0 HE3 MET A 111 22.216 2.058 -3.014 1.00 33.25 H new ATOM 1639 N GLN A 112 24.147 -1.348 -5.298 1.00 71.33 N ATOM 1640 CA GLN A 112 23.870 -1.574 -6.743 1.00 42.33 C ATOM 1641 C GLN A 112 24.430 -2.903 -7.176 1.00 45.21 C ATOM 1642 O GLN A 112 23.799 -3.663 -7.898 1.00 61.11 O ATOM 1643 CB GLN A 112 24.563 -0.436 -7.489 1.00 64.53 C ATOM 1644 CG GLN A 112 24.795 -0.611 -8.967 1.00 54.40 C ATOM 1645 CD GLN A 112 25.623 0.526 -9.492 1.00 11.31 C ATOM 1646 OE1 GLN A 112 26.849 0.455 -9.504 1.00 44.44 O ATOM 1647 NE2 GLN A 112 24.979 1.573 -9.900 1.00 33.13 N ATOM 0 H GLN A 112 24.475 -0.400 -5.116 1.00 71.33 H new ATOM 0 HA GLN A 112 22.800 -1.589 -6.949 1.00 42.33 H new ATOM 0 HB2 GLN A 112 23.972 0.468 -7.346 1.00 64.53 H new ATOM 0 HB3 GLN A 112 25.529 -0.263 -7.015 1.00 64.53 H new ATOM 0 HG2 GLN A 112 25.301 -1.558 -9.155 1.00 54.40 H new ATOM 0 HG3 GLN A 112 23.840 -0.650 -9.492 1.00 54.40 H new ATOM 0 HE21 GLN A 112 23.959 1.588 -9.872 1.00 33.13 H new ATOM 0 HE22 GLN A 112 25.491 2.383 -10.249 1.00 33.13 H new ATOM 1656 N LYS A 113 25.625 -3.121 -6.715 1.00 22.33 N ATOM 1657 CA LYS A 113 26.371 -4.389 -6.836 1.00 31.01 C ATOM 1658 C LYS A 113 25.468 -5.622 -6.604 1.00 20.15 C ATOM 1659 O LYS A 113 25.380 -6.499 -7.442 1.00 41.35 O ATOM 1660 CB LYS A 113 27.411 -4.366 -5.749 1.00 23.31 C ATOM 1661 CG LYS A 113 28.341 -5.545 -5.631 1.00 45.22 C ATOM 1662 CD LYS A 113 29.163 -5.396 -4.354 1.00 34.52 C ATOM 1663 CE LYS A 113 30.122 -4.215 -4.404 1.00 22.05 C ATOM 1664 NZ LYS A 113 30.782 -3.976 -3.093 1.00 15.41 N ATOM 0 H LYS A 113 26.151 -2.403 -6.218 1.00 22.33 H new ATOM 0 HA LYS A 113 26.790 -4.470 -7.839 1.00 31.01 H new ATOM 0 HB2 LYS A 113 28.021 -3.473 -5.890 1.00 23.31 H new ATOM 0 HB3 LYS A 113 26.895 -4.252 -4.796 1.00 23.31 H new ATOM 0 HG2 LYS A 113 27.772 -6.474 -5.607 1.00 45.22 H new ATOM 0 HG3 LYS A 113 28.998 -5.596 -6.499 1.00 45.22 H new ATOM 0 HD2 LYS A 113 28.489 -5.275 -3.506 1.00 34.52 H new ATOM 0 HD3 LYS A 113 29.730 -6.311 -4.183 1.00 34.52 H new ATOM 0 HE2 LYS A 113 30.882 -4.397 -5.164 1.00 22.05 H new ATOM 0 HE3 LYS A 113 29.578 -3.319 -4.705 1.00 22.05 H new ATOM 0 HZ1 LYS A 113 31.511 -3.242 -3.200 1.00 15.41 H new ATOM 0 HZ2 LYS A 113 30.073 -3.661 -2.400 1.00 15.41 H new ATOM 0 HZ3 LYS A 113 31.223 -4.857 -2.761 1.00 15.41 H new ATOM 1678 N ALA A 114 24.744 -5.621 -5.494 1.00 3.44 N ATOM 1679 CA ALA A 114 23.940 -6.766 -5.062 1.00 75.31 C ATOM 1680 C ALA A 114 22.629 -6.892 -5.850 1.00 14.43 C ATOM 1681 O ALA A 114 21.717 -7.605 -5.435 1.00 42.10 O ATOM 1682 CB ALA A 114 23.654 -6.662 -3.567 1.00 10.14 C ATOM 0 H ALA A 114 24.694 -4.823 -4.861 1.00 3.44 H new ATOM 0 HA ALA A 114 24.518 -7.668 -5.263 1.00 75.31 H new ATOM 0 HB1 ALA A 114 23.055 -7.516 -3.251 1.00 10.14 H new ATOM 0 HB2 ALA A 114 24.595 -6.654 -3.016 1.00 10.14 H new ATOM 0 HB3 ALA A 114 23.107 -5.741 -3.364 1.00 10.14 H new ATOM 1688 N GLY A 115 22.575 -6.245 -7.001 1.00 14.22 N ATOM 1689 CA GLY A 115 21.384 -6.256 -7.833 1.00 64.11 C ATOM 1690 C GLY A 115 20.193 -5.596 -7.164 1.00 5.10 C ATOM 1691 O GLY A 115 19.062 -6.054 -7.303 1.00 23.52 O ATOM 0 H GLY A 115 23.349 -5.701 -7.383 1.00 14.22 H new ATOM 0 HA2 GLY A 115 21.597 -5.744 -8.771 1.00 64.11 H new ATOM 0 HA3 GLY A 115 21.130 -7.286 -8.082 1.00 64.11 H new ATOM 1695 N MET A 116 20.447 -4.527 -6.437 1.00 61.41 N ATOM 1696 CA MET A 116 19.384 -3.826 -5.744 1.00 10.34 C ATOM 1697 C MET A 116 18.715 -2.829 -6.671 1.00 71.33 C ATOM 1698 O MET A 116 19.377 -2.209 -7.517 1.00 30.03 O ATOM 1699 CB MET A 116 19.893 -3.145 -4.467 1.00 21.51 C ATOM 1700 CG MET A 116 20.444 -4.125 -3.432 1.00 14.11 C ATOM 1701 SD MET A 116 20.979 -3.328 -1.900 1.00 74.14 S ATOM 1702 CE MET A 116 19.428 -2.686 -1.282 1.00 35.31 C ATOM 0 H MET A 116 21.376 -4.125 -6.311 1.00 61.41 H new ATOM 0 HA MET A 116 18.640 -4.562 -5.438 1.00 10.34 H new ATOM 0 HB2 MET A 116 20.673 -2.431 -4.732 1.00 21.51 H new ATOM 0 HB3 MET A 116 19.079 -2.575 -4.019 1.00 21.51 H new ATOM 0 HG2 MET A 116 19.678 -4.865 -3.199 1.00 14.11 H new ATOM 0 HG3 MET A 116 21.286 -4.664 -3.866 1.00 14.11 H new ATOM 0 HE1 MET A 116 19.526 -2.457 -0.221 1.00 35.31 H new ATOM 0 HE2 MET A 116 19.167 -1.779 -1.827 1.00 35.31 H new ATOM 0 HE3 MET A 116 18.645 -3.431 -1.421 1.00 35.31 H new ATOM 1712 N SER A 117 17.425 -2.684 -6.514 1.00 61.21 N ATOM 1713 CA SER A 117 16.618 -1.859 -7.373 1.00 43.13 C ATOM 1714 C SER A 117 16.887 -0.353 -7.162 1.00 44.34 C ATOM 1715 O SER A 117 17.171 0.110 -6.036 1.00 61.01 O ATOM 1716 CB SER A 117 15.165 -2.201 -7.144 1.00 75.14 C ATOM 1717 OG SER A 117 14.944 -3.599 -7.276 1.00 23.44 O ATOM 0 H SER A 117 16.897 -3.144 -5.772 1.00 61.21 H new ATOM 0 HA SER A 117 16.884 -2.064 -8.410 1.00 43.13 H new ATOM 0 HB2 SER A 117 14.863 -1.874 -6.149 1.00 75.14 H new ATOM 0 HB3 SER A 117 14.544 -1.662 -7.859 1.00 75.14 H new ATOM 0 HG SER A 117 13.997 -3.796 -7.122 1.00 23.44 H new ATOM 1723 N ALA A 118 16.760 0.400 -8.249 1.00 4.35 N ATOM 1724 CA ALA A 118 17.096 1.821 -8.299 1.00 50.13 C ATOM 1725 C ALA A 118 16.358 2.653 -7.260 1.00 14.30 C ATOM 1726 O ALA A 118 16.956 3.504 -6.614 1.00 62.34 O ATOM 1727 CB ALA A 118 16.845 2.373 -9.695 1.00 31.53 C ATOM 0 H ALA A 118 16.415 0.035 -9.137 1.00 4.35 H new ATOM 0 HA ALA A 118 18.156 1.897 -8.058 1.00 50.13 H new ATOM 0 HB1 ALA A 118 17.099 3.433 -9.718 1.00 31.53 H new ATOM 0 HB2 ALA A 118 17.462 1.836 -10.415 1.00 31.53 H new ATOM 0 HB3 ALA A 118 15.793 2.247 -9.953 1.00 31.53 H new ATOM 1733 N GLU A 119 15.085 2.374 -7.056 1.00 34.50 N ATOM 1734 CA GLU A 119 14.277 3.149 -6.131 1.00 13.12 C ATOM 1735 C GLU A 119 14.692 2.883 -4.682 1.00 44.32 C ATOM 1736 O GLU A 119 14.436 3.694 -3.789 1.00 41.03 O ATOM 1737 CB GLU A 119 12.754 2.926 -6.359 1.00 12.14 C ATOM 1738 CG GLU A 119 12.171 1.561 -5.945 1.00 11.11 C ATOM 1739 CD GLU A 119 12.879 0.362 -6.537 1.00 11.13 C ATOM 1740 OE1 GLU A 119 13.367 0.442 -7.697 1.00 70.44 O ATOM 1741 OE2 GLU A 119 12.973 -0.654 -5.842 1.00 42.13 O ATOM 0 H GLU A 119 14.586 1.615 -7.519 1.00 34.50 H new ATOM 0 HA GLU A 119 14.464 4.204 -6.333 1.00 13.12 H new ATOM 0 HB2 GLU A 119 12.214 3.702 -5.816 1.00 12.14 H new ATOM 0 HB3 GLU A 119 12.546 3.075 -7.419 1.00 12.14 H new ATOM 0 HG2 GLU A 119 12.202 1.483 -4.858 1.00 11.11 H new ATOM 0 HG3 GLU A 119 11.122 1.526 -6.237 1.00 11.11 H new ATOM 1748 N GLN A 120 15.369 1.764 -4.463 1.00 3.33 N ATOM 1749 CA GLN A 120 15.869 1.441 -3.152 1.00 73.23 C ATOM 1750 C GLN A 120 17.134 2.248 -2.949 1.00 32.31 C ATOM 1751 O GLN A 120 17.290 2.972 -1.951 1.00 20.33 O ATOM 1752 CB GLN A 120 16.186 -0.050 -3.060 1.00 13.02 C ATOM 1753 CG GLN A 120 15.016 -0.949 -3.412 1.00 0.31 C ATOM 1754 CD GLN A 120 15.360 -2.422 -3.364 1.00 25.30 C ATOM 1755 OE1 GLN A 120 16.503 -2.822 -3.579 1.00 52.35 O ATOM 1756 NE2 GLN A 120 14.373 -3.243 -3.130 1.00 32.42 N ATOM 0 H GLN A 120 15.580 1.071 -5.181 1.00 3.33 H new ATOM 0 HA GLN A 120 15.127 1.675 -2.388 1.00 73.23 H new ATOM 0 HB2 GLN A 120 17.019 -0.276 -3.726 1.00 13.02 H new ATOM 0 HB3 GLN A 120 16.516 -0.280 -2.047 1.00 13.02 H new ATOM 0 HG2 GLN A 120 14.195 -0.752 -2.723 1.00 0.31 H new ATOM 0 HG3 GLN A 120 14.661 -0.698 -4.412 1.00 0.31 H new ATOM 0 HE21 GLN A 120 13.437 -2.878 -2.955 1.00 32.42 H new ATOM 0 HE22 GLN A 120 14.538 -4.250 -3.122 1.00 32.42 H new ATOM 1765 N ILE A 121 17.992 2.175 -3.957 1.00 44.34 N ATOM 1766 CA ILE A 121 19.267 2.872 -3.985 1.00 5.30 C ATOM 1767 C ILE A 121 19.063 4.376 -3.758 1.00 31.43 C ATOM 1768 O ILE A 121 19.715 4.979 -2.881 1.00 61.54 O ATOM 1769 CB ILE A 121 20.002 2.624 -5.340 1.00 42.15 C ATOM 1770 CG1 ILE A 121 20.285 1.123 -5.534 1.00 15.13 C ATOM 1771 CG2 ILE A 121 21.295 3.427 -5.422 1.00 53.34 C ATOM 1772 CD1 ILE A 121 20.939 0.781 -6.862 1.00 35.25 C ATOM 0 H ILE A 121 17.816 1.618 -4.794 1.00 44.34 H new ATOM 0 HA ILE A 121 19.887 2.479 -3.179 1.00 5.30 H new ATOM 0 HB ILE A 121 19.347 2.962 -6.143 1.00 42.15 H new ATOM 0 HG12 ILE A 121 20.929 0.778 -4.725 1.00 15.13 H new ATOM 0 HG13 ILE A 121 19.347 0.574 -5.451 1.00 15.13 H new ATOM 0 HG21 ILE A 121 21.784 3.233 -6.377 1.00 53.34 H new ATOM 0 HG22 ILE A 121 21.069 4.490 -5.339 1.00 53.34 H new ATOM 0 HG23 ILE A 121 21.958 3.133 -4.609 1.00 53.34 H new ATOM 0 HD11 ILE A 121 21.105 -0.295 -6.920 1.00 35.25 H new ATOM 0 HD12 ILE A 121 20.288 1.092 -7.679 1.00 35.25 H new ATOM 0 HD13 ILE A 121 21.894 1.300 -6.941 1.00 35.25 H new ATOM 1784 N GLU A 122 18.118 4.962 -4.486 1.00 74.43 N ATOM 1785 CA GLU A 122 17.837 6.380 -4.346 1.00 32.41 C ATOM 1786 C GLU A 122 17.216 6.690 -3.004 1.00 14.31 C ATOM 1787 O GLU A 122 17.313 7.810 -2.535 1.00 51.52 O ATOM 1788 CB GLU A 122 16.949 6.941 -5.452 1.00 51.05 C ATOM 1789 CG GLU A 122 17.442 6.700 -6.864 1.00 33.22 C ATOM 1790 CD GLU A 122 18.931 6.936 -7.048 1.00 10.21 C ATOM 1791 OE1 GLU A 122 19.357 8.084 -7.236 1.00 41.42 O ATOM 1792 OE2 GLU A 122 19.700 5.954 -7.008 1.00 24.21 O ATOM 0 H GLU A 122 17.540 4.478 -5.173 1.00 74.43 H new ATOM 0 HA GLU A 122 18.808 6.870 -4.427 1.00 32.41 H new ATOM 0 HB2 GLU A 122 15.955 6.505 -5.353 1.00 51.05 H new ATOM 0 HB3 GLU A 122 16.843 8.015 -5.300 1.00 51.05 H new ATOM 0 HG2 GLU A 122 17.209 5.674 -7.149 1.00 33.22 H new ATOM 0 HG3 GLU A 122 16.895 7.352 -7.545 1.00 33.22 H new ATOM 1799 N TYR A 123 16.592 5.700 -2.360 1.00 62.32 N ATOM 1800 CA TYR A 123 16.030 5.945 -1.057 1.00 33.42 C ATOM 1801 C TYR A 123 17.167 6.130 -0.096 1.00 42.13 C ATOM 1802 O TYR A 123 17.209 7.098 0.648 1.00 43.12 O ATOM 1803 CB TYR A 123 15.096 4.811 -0.585 1.00 32.41 C ATOM 1804 CG TYR A 123 14.634 4.978 0.856 1.00 22.31 C ATOM 1805 CD1 TYR A 123 13.607 5.852 1.188 1.00 14.01 C ATOM 1806 CD2 TYR A 123 15.254 4.277 1.887 1.00 75.43 C ATOM 1807 CE1 TYR A 123 13.216 6.024 2.504 1.00 3.00 C ATOM 1808 CE2 TYR A 123 14.866 4.438 3.197 1.00 23.51 C ATOM 1809 CZ TYR A 123 13.850 5.311 3.502 1.00 0.44 C ATOM 1810 OH TYR A 123 13.478 5.489 4.813 1.00 31.42 O ATOM 0 H TYR A 123 16.472 4.752 -2.718 1.00 62.32 H new ATOM 0 HA TYR A 123 15.409 6.839 -1.105 1.00 33.42 H new ATOM 0 HB2 TYR A 123 14.224 4.772 -1.238 1.00 32.41 H new ATOM 0 HB3 TYR A 123 15.613 3.857 -0.686 1.00 32.41 H new ATOM 0 HD1 TYR A 123 13.106 6.406 0.407 1.00 14.01 H new ATOM 0 HD2 TYR A 123 16.056 3.593 1.653 1.00 75.43 H new ATOM 0 HE1 TYR A 123 12.420 6.712 2.749 1.00 3.00 H new ATOM 0 HE2 TYR A 123 15.357 3.881 3.981 1.00 23.51 H new ATOM 0 HH TYR A 123 14.249 5.799 5.333 1.00 31.42 H new ATOM 1820 N VAL A 124 18.128 5.234 -0.181 1.00 64.24 N ATOM 1821 CA VAL A 124 19.301 5.281 0.666 1.00 0.43 C ATOM 1822 C VAL A 124 20.042 6.613 0.467 1.00 42.01 C ATOM 1823 O VAL A 124 20.452 7.244 1.428 1.00 2.20 O ATOM 1824 CB VAL A 124 20.237 4.083 0.396 1.00 24.45 C ATOM 1825 CG1 VAL A 124 21.452 4.126 1.306 1.00 32.14 C ATOM 1826 CG2 VAL A 124 19.481 2.774 0.588 1.00 30.44 C ATOM 0 H VAL A 124 18.118 4.454 -0.838 1.00 64.24 H new ATOM 0 HA VAL A 124 18.977 5.213 1.704 1.00 0.43 H new ATOM 0 HB VAL A 124 20.583 4.146 -0.636 1.00 24.45 H new ATOM 0 HG11 VAL A 124 22.095 3.271 1.095 1.00 32.14 H new ATOM 0 HG12 VAL A 124 22.006 5.048 1.130 1.00 32.14 H new ATOM 0 HG13 VAL A 124 21.129 4.089 2.346 1.00 32.14 H new ATOM 0 HG21 VAL A 124 20.150 1.936 0.395 1.00 30.44 H new ATOM 0 HG22 VAL A 124 19.110 2.715 1.611 1.00 30.44 H new ATOM 0 HG23 VAL A 124 18.641 2.734 -0.105 1.00 30.44 H new ATOM 1836 N LYS A 125 20.134 7.054 -0.780 1.00 25.52 N ATOM 1837 CA LYS A 125 20.744 8.355 -1.109 1.00 32.15 C ATOM 1838 C LYS A 125 19.934 9.521 -0.529 1.00 31.21 C ATOM 1839 O LYS A 125 20.481 10.561 -0.191 1.00 23.32 O ATOM 1840 CB LYS A 125 20.815 8.545 -2.623 1.00 34.12 C ATOM 1841 CG LYS A 125 21.712 7.577 -3.347 1.00 40.53 C ATOM 1842 CD LYS A 125 21.605 7.766 -4.845 1.00 4.01 C ATOM 1843 CE LYS A 125 22.528 6.829 -5.593 1.00 63.31 C ATOM 1844 NZ LYS A 125 22.199 6.767 -7.026 1.00 62.33 N ATOM 0 H LYS A 125 19.795 6.535 -1.590 1.00 25.52 H new ATOM 0 HA LYS A 125 21.743 8.353 -0.674 1.00 32.15 H new ATOM 0 HB2 LYS A 125 19.808 8.459 -3.032 1.00 34.12 H new ATOM 0 HB3 LYS A 125 21.158 9.559 -2.831 1.00 34.12 H new ATOM 0 HG2 LYS A 125 22.745 7.723 -3.030 1.00 40.53 H new ATOM 0 HG3 LYS A 125 21.440 6.555 -3.084 1.00 40.53 H new ATOM 0 HD2 LYS A 125 20.576 7.593 -5.161 1.00 4.01 H new ATOM 0 HD3 LYS A 125 21.848 8.797 -5.100 1.00 4.01 H new ATOM 0 HE2 LYS A 125 23.559 7.160 -5.471 1.00 63.31 H new ATOM 0 HE3 LYS A 125 22.461 5.831 -5.161 1.00 63.31 H new ATOM 0 HZ1 LYS A 125 22.973 6.299 -7.540 1.00 62.33 H new ATOM 0 HZ2 LYS A 125 21.320 6.227 -7.157 1.00 62.33 H new ATOM 0 HZ3 LYS A 125 22.072 7.731 -7.395 1.00 62.33 H new ATOM 1858 N ALA A 126 18.641 9.333 -0.403 1.00 23.10 N ATOM 1859 CA ALA A 126 17.765 10.406 0.000 1.00 33.14 C ATOM 1860 C ALA A 126 17.490 10.375 1.503 1.00 64.05 C ATOM 1861 O ALA A 126 16.926 11.312 2.062 1.00 41.34 O ATOM 1862 CB ALA A 126 16.467 10.332 -0.809 1.00 21.40 C ATOM 0 H ALA A 126 18.172 8.444 -0.575 1.00 23.10 H new ATOM 0 HA ALA A 126 18.257 11.357 -0.206 1.00 33.14 H new ATOM 0 HB1 ALA A 126 15.803 11.142 -0.506 1.00 21.40 H new ATOM 0 HB2 ALA A 126 16.694 10.427 -1.871 1.00 21.40 H new ATOM 0 HB3 ALA A 126 15.978 9.375 -0.626 1.00 21.40 H new ATOM 1868 N ASN A 127 17.870 9.294 2.142 1.00 33.44 N ATOM 1869 CA ASN A 127 17.636 9.136 3.569 1.00 12.50 C ATOM 1870 C ASN A 127 18.942 9.150 4.378 1.00 42.02 C ATOM 1871 O ASN A 127 18.975 9.658 5.494 1.00 14.31 O ATOM 1872 CB ASN A 127 16.825 7.847 3.826 1.00 44.54 C ATOM 1873 CG ASN A 127 16.420 7.606 5.287 1.00 24.41 C ATOM 1874 OD1 ASN A 127 16.265 6.463 5.707 1.00 63.21 O ATOM 1875 ND2 ASN A 127 16.227 8.651 6.056 1.00 44.12 N ATOM 0 H ASN A 127 18.344 8.506 1.701 1.00 33.44 H new ATOM 0 HA ASN A 127 17.056 9.992 3.913 1.00 12.50 H new ATOM 0 HB2 ASN A 127 15.922 7.878 3.216 1.00 44.54 H new ATOM 0 HB3 ASN A 127 17.411 6.994 3.484 1.00 44.54 H new ATOM 0 HD21 ASN A 127 15.941 8.524 7.027 1.00 44.12 H new ATOM 0 HD22 ASN A 127 16.362 9.591 5.683 1.00 44.12 H new ATOM 1882 N LEU A 128 20.010 8.622 3.814 1.00 75.35 N ATOM 1883 CA LEU A 128 21.283 8.556 4.522 1.00 21.24 C ATOM 1884 C LEU A 128 22.233 9.649 4.038 1.00 13.04 C ATOM 1885 O LEU A 128 22.142 10.082 2.889 1.00 32.41 O ATOM 1886 CB LEU A 128 21.967 7.160 4.392 1.00 51.23 C ATOM 1887 CG LEU A 128 21.356 5.975 5.170 1.00 1.43 C ATOM 1888 CD1 LEU A 128 19.954 5.618 4.696 1.00 53.45 C ATOM 1889 CD2 LEU A 128 22.265 4.779 5.060 1.00 20.41 C ATOM 0 H LEU A 128 20.027 8.233 2.871 1.00 75.35 H new ATOM 0 HA LEU A 128 21.060 8.715 5.577 1.00 21.24 H new ATOM 0 HB2 LEU A 128 21.981 6.893 3.335 1.00 51.23 H new ATOM 0 HB3 LEU A 128 23.005 7.267 4.708 1.00 51.23 H new ATOM 0 HG LEU A 128 21.264 6.281 6.212 1.00 1.43 H new ATOM 0 HD11 LEU A 128 19.576 4.778 5.279 1.00 53.45 H new ATOM 0 HD12 LEU A 128 19.296 6.477 4.827 1.00 53.45 H new ATOM 0 HD13 LEU A 128 19.985 5.343 3.642 1.00 53.45 H new ATOM 0 HD21 LEU A 128 21.834 3.942 5.609 1.00 20.41 H new ATOM 0 HD22 LEU A 128 22.379 4.504 4.011 1.00 20.41 H new ATOM 0 HD23 LEU A 128 23.241 5.024 5.479 1.00 20.41 H new ATOM 1901 N PRO A 129 23.142 10.136 4.918 1.00 33.04 N ATOM 1902 CA PRO A 129 24.134 11.143 4.547 1.00 25.34 C ATOM 1903 C PRO A 129 25.075 10.632 3.458 1.00 34.31 C ATOM 1904 O PRO A 129 25.568 9.498 3.518 1.00 24.33 O ATOM 1905 CB PRO A 129 24.915 11.397 5.845 1.00 23.32 C ATOM 1906 CG PRO A 129 24.024 10.912 6.927 1.00 2.31 C ATOM 1907 CD PRO A 129 23.256 9.769 6.339 1.00 12.21 C ATOM 0 HA PRO A 129 23.667 12.041 4.143 1.00 25.34 H new ATOM 0 HB2 PRO A 129 25.865 10.862 5.846 1.00 23.32 H new ATOM 0 HB3 PRO A 129 25.145 12.455 5.967 1.00 23.32 H new ATOM 0 HG2 PRO A 129 24.601 10.591 7.794 1.00 2.31 H new ATOM 0 HG3 PRO A 129 23.353 11.702 7.265 1.00 2.31 H new ATOM 0 HD2 PRO A 129 23.780 8.822 6.470 1.00 12.21 H new ATOM 0 HD3 PRO A 129 22.277 9.659 6.806 1.00 12.21 H new ATOM 1915 N GLN A 130 25.296 11.459 2.470 1.00 50.11 N ATOM 1916 CA GLN A 130 26.142 11.122 1.354 1.00 42.54 C ATOM 1917 C GLN A 130 27.433 11.918 1.446 1.00 61.12 C ATOM 1918 O GLN A 130 27.428 13.132 1.221 1.00 70.42 O ATOM 1919 CB GLN A 130 25.443 11.485 0.034 1.00 61.31 C ATOM 1920 CG GLN A 130 24.097 10.814 -0.196 1.00 51.22 C ATOM 1921 CD GLN A 130 23.448 11.267 -1.488 1.00 10.21 C ATOM 1922 OE1 GLN A 130 23.664 10.693 -2.540 1.00 71.01 O ATOM 1923 NE2 GLN A 130 22.625 12.279 -1.410 1.00 62.11 N ATOM 0 H GLN A 130 24.891 12.393 2.416 1.00 50.11 H new ATOM 0 HA GLN A 130 26.349 10.052 1.379 1.00 42.54 H new ATOM 0 HB2 GLN A 130 25.302 12.565 0.002 1.00 61.31 H new ATOM 0 HB3 GLN A 130 26.105 11.226 -0.792 1.00 61.31 H new ATOM 0 HG2 GLN A 130 24.231 9.732 -0.218 1.00 51.22 H new ATOM 0 HG3 GLN A 130 23.434 11.037 0.640 1.00 51.22 H new ATOM 0 HE21 GLN A 130 22.465 12.739 -0.514 1.00 62.11 H new ATOM 0 HE22 GLN A 130 22.142 12.609 -2.246 1.00 62.11 H new ATOM 1973 N GLY A 134 28.855 7.067 -0.521 1.00 13.15 N ATOM 1974 CA GLY A 134 29.172 6.410 0.707 1.00 71.51 C ATOM 1975 C GLY A 134 28.258 6.929 1.765 1.00 51.13 C ATOM 1976 O GLY A 134 28.500 7.973 2.387 1.00 53.41 O ATOM 0 HA2 GLY A 134 29.057 5.331 0.601 1.00 71.51 H new ATOM 0 HA3 GLY A 134 30.211 6.594 0.979 1.00 71.51 H new ATOM 1980 N TYR A 135 27.202 6.214 1.920 1.00 1.30 N ATOM 1981 CA TYR A 135 26.090 6.563 2.745 1.00 51.03 C ATOM 1982 C TYR A 135 26.344 6.093 4.164 1.00 30.14 C ATOM 1983 O TYR A 135 26.683 4.922 4.385 1.00 43.55 O ATOM 1984 CB TYR A 135 24.850 5.883 2.128 1.00 50.21 C ATOM 1985 CG TYR A 135 24.763 6.100 0.618 1.00 14.01 C ATOM 1986 CD1 TYR A 135 25.005 7.347 0.050 1.00 3.24 C ATOM 1987 CD2 TYR A 135 24.530 5.039 -0.236 1.00 63.31 C ATOM 1988 CE1 TYR A 135 25.001 7.519 -1.318 1.00 61.23 C ATOM 1989 CE2 TYR A 135 24.540 5.207 -1.598 1.00 40.34 C ATOM 1990 CZ TYR A 135 24.771 6.438 -2.133 1.00 13.11 C ATOM 1991 OH TYR A 135 24.802 6.579 -3.489 1.00 64.21 O ATOM 0 H TYR A 135 27.079 5.317 1.450 1.00 1.30 H new ATOM 0 HA TYR A 135 25.935 7.641 2.790 1.00 51.03 H new ATOM 0 HB2 TYR A 135 24.882 4.814 2.338 1.00 50.21 H new ATOM 0 HB3 TYR A 135 23.950 6.274 2.602 1.00 50.21 H new ATOM 0 HD1 TYR A 135 25.199 8.194 0.691 1.00 3.24 H new ATOM 0 HD2 TYR A 135 24.336 4.060 0.176 1.00 63.31 H new ATOM 0 HE1 TYR A 135 25.177 8.495 -1.745 1.00 61.23 H new ATOM 0 HE2 TYR A 135 24.364 4.362 -2.247 1.00 40.34 H new ATOM 0 HH TYR A 135 25.713 6.421 -3.814 1.00 64.21 H new ATOM 2001 N ASP A 136 26.239 7.001 5.101 1.00 14.24 N ATOM 2002 CA ASP A 136 26.470 6.702 6.517 1.00 5.13 C ATOM 2003 C ASP A 136 25.328 5.906 7.096 1.00 71.24 C ATOM 2004 O ASP A 136 24.302 6.471 7.509 1.00 2.24 O ATOM 2005 CB ASP A 136 26.653 7.987 7.346 1.00 21.35 C ATOM 2006 CG ASP A 136 27.853 8.787 6.939 1.00 61.43 C ATOM 2007 OD1 ASP A 136 27.780 9.525 5.939 1.00 55.21 O ATOM 2008 OD2 ASP A 136 28.909 8.668 7.574 1.00 33.23 O ATOM 0 H ASP A 136 25.991 7.973 4.917 1.00 14.24 H new ATOM 0 HA ASP A 136 27.387 6.114 6.568 1.00 5.13 H new ATOM 0 HB2 ASP A 136 25.761 8.606 7.246 1.00 21.35 H new ATOM 0 HB3 ASP A 136 26.741 7.722 8.400 1.00 21.35 H new ATOM 2013 N TYR A 137 25.484 4.588 7.174 1.00 35.32 N ATOM 2014 CA TYR A 137 24.397 3.760 7.693 1.00 55.43 C ATOM 2015 C TYR A 137 24.276 3.887 9.193 1.00 42.03 C ATOM 2016 O TYR A 137 23.357 3.367 9.803 1.00 74.14 O ATOM 2017 CB TYR A 137 24.454 2.287 7.246 1.00 62.44 C ATOM 2018 CG TYR A 137 25.537 1.423 7.845 1.00 45.22 C ATOM 2019 CD1 TYR A 137 26.796 1.366 7.288 1.00 31.44 C ATOM 2020 CD2 TYR A 137 25.273 0.629 8.960 1.00 22.00 C ATOM 2021 CE1 TYR A 137 27.766 0.551 7.823 1.00 0.40 C ATOM 2022 CE2 TYR A 137 26.237 -0.193 9.499 1.00 13.12 C ATOM 2023 CZ TYR A 137 27.483 -0.230 8.929 1.00 50.40 C ATOM 2024 OH TYR A 137 28.455 -1.054 9.454 1.00 25.15 O ATOM 0 H TYR A 137 26.324 4.081 6.895 1.00 35.32 H new ATOM 0 HA TYR A 137 23.488 4.157 7.241 1.00 55.43 H new ATOM 0 HB2 TYR A 137 23.492 1.828 7.474 1.00 62.44 H new ATOM 0 HB3 TYR A 137 24.568 2.268 6.162 1.00 62.44 H new ATOM 0 HD1 TYR A 137 27.024 1.968 6.421 1.00 31.44 H new ATOM 0 HD2 TYR A 137 24.292 0.659 9.410 1.00 22.00 H new ATOM 0 HE1 TYR A 137 28.750 0.521 7.379 1.00 0.40 H new ATOM 0 HE2 TYR A 137 26.014 -0.802 10.362 1.00 13.12 H new ATOM 0 HH TYR A 137 29.341 -0.701 9.227 1.00 25.15 H new ATOM 2034 N ALA A 138 25.187 4.626 9.780 1.00 22.14 N ATOM 2035 CA ALA A 138 25.129 4.905 11.179 1.00 54.00 C ATOM 2036 C ALA A 138 24.005 5.897 11.469 1.00 71.50 C ATOM 2037 O ALA A 138 23.581 6.029 12.602 1.00 14.10 O ATOM 2038 CB ALA A 138 26.456 5.405 11.695 1.00 22.32 C ATOM 0 H ALA A 138 25.982 5.045 9.297 1.00 22.14 H new ATOM 0 HA ALA A 138 24.912 3.977 11.708 1.00 54.00 H new ATOM 0 HB1 ALA A 138 26.378 5.608 12.763 1.00 22.32 H new ATOM 0 HB2 ALA A 138 27.221 4.648 11.525 1.00 22.32 H new ATOM 0 HB3 ALA A 138 26.729 6.321 11.171 1.00 22.32 H new ATOM 2044 N ALA A 139 23.493 6.560 10.419 1.00 43.24 N ATOM 2045 CA ALA A 139 22.352 7.465 10.569 1.00 74.31 C ATOM 2046 C ALA A 139 21.109 6.666 10.924 1.00 21.20 C ATOM 2047 O ALA A 139 20.225 7.129 11.618 1.00 43.50 O ATOM 2048 CB ALA A 139 22.109 8.229 9.286 1.00 71.34 C ATOM 0 H ALA A 139 23.851 6.485 9.467 1.00 43.24 H new ATOM 0 HA ALA A 139 22.573 8.175 11.366 1.00 74.31 H new ATOM 0 HB1 ALA A 139 21.257 8.897 9.416 1.00 71.34 H new ATOM 0 HB2 ALA A 139 22.994 8.814 9.038 1.00 71.34 H new ATOM 0 HB3 ALA A 139 21.900 7.527 8.479 1.00 71.34 H new ATOM 2054 N TRP A 140 21.090 5.446 10.467 1.00 11.45 N ATOM 2055 CA TRP A 140 19.998 4.543 10.693 1.00 31.53 C ATOM 2056 C TRP A 140 19.895 4.180 12.188 1.00 5.52 C ATOM 2057 O TRP A 140 18.809 4.107 12.746 1.00 53.42 O ATOM 2058 CB TRP A 140 20.219 3.317 9.794 1.00 42.40 C ATOM 2059 CG TRP A 140 19.274 2.185 9.968 1.00 62.25 C ATOM 2060 CD1 TRP A 140 17.933 2.183 9.737 1.00 73.44 C ATOM 2061 CD2 TRP A 140 19.622 0.860 10.363 1.00 62.35 C ATOM 2062 NE1 TRP A 140 17.419 0.933 9.992 1.00 61.10 N ATOM 2063 CE2 TRP A 140 18.439 0.102 10.374 1.00 30.13 C ATOM 2064 CE3 TRP A 140 20.828 0.244 10.715 1.00 5.45 C ATOM 2065 CZ2 TRP A 140 18.421 -1.245 10.725 1.00 35.52 C ATOM 2066 CZ3 TRP A 140 20.811 -1.094 11.062 1.00 3.55 C ATOM 2067 CH2 TRP A 140 19.615 -1.825 11.064 1.00 72.32 C ATOM 0 H TRP A 140 21.848 5.044 9.916 1.00 11.45 H new ATOM 0 HA TRP A 140 19.044 5.003 10.435 1.00 31.53 H new ATOM 0 HB2 TRP A 140 20.172 3.644 8.755 1.00 42.40 H new ATOM 0 HB3 TRP A 140 21.230 2.946 9.966 1.00 42.40 H new ATOM 0 HD1 TRP A 140 17.359 3.035 9.404 1.00 73.44 H new ATOM 0 HE1 TRP A 140 16.438 0.668 9.910 1.00 61.10 H new ATOM 0 HE3 TRP A 140 21.753 0.802 10.716 1.00 5.45 H new ATOM 0 HZ2 TRP A 140 17.501 -1.811 10.730 1.00 35.52 H new ATOM 0 HZ3 TRP A 140 21.734 -1.584 11.336 1.00 3.55 H new ATOM 0 HH2 TRP A 140 19.635 -2.869 11.339 1.00 72.32 H new