USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 111:sc= -1.36! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -10.9! C(o=-15!,f=-12!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -131:sc= -0.315 (180deg=-2.88!) USER MOD Set 2.2: A 103 THR OG1 : rot -141:sc= -3.82! USER MOD Set 3.1: A 37 LYS NZ :NH3+ -157:sc= 0.0327 (180deg=-0.791) USER MOD Set 3.2: A 67 HIS : no HD1:sc= 0.04 K(o=0.073,f=-2.2) USER MOD Set 4.1: A 40 HIS : no HE2:sc= 0.999 K(o=1.7,f=-11!) USER MOD Set 4.2: A 74 SER OG : rot -102:sc= 0.705 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 129:sc= -0.268 (180deg=-2.66!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.0913 (180deg=-0.796) USER MOD Single : A 12 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.0575 (180deg=-0.916) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.99! C(o=-5.4!,f=-2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 41 TYR OH : rot 165:sc= -0.217 USER MOD Single : A 45 CYS SG : rot -7:sc= -2.02! USER MOD Single : A 47 GLN : amide:sc= -4.79! C(o=-4.8!,f=-8.5!) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.568) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.002! C(o=-13!,f=-0.002!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -4.72! C(o=-5.4!,f=-4.7!) USER MOD Single : A 70 THR OG1 : rot 113:sc= -5.18! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.254 USER MOD Single : A 80 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -2.07 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -0.333 (180deg=-1.17) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 152:sc= -1.43! (180deg=-2.73!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -140:sc= -7.06! (180deg=-8.82!) USER MOD Single : A 118 GLN :FLIP amide:sc= -3.21! C(o=-6.4!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.021 -7.529 86.375 1.00 0.00 N ATOM 44 CA LYS A 4 -6.453 -7.224 87.712 1.00 0.00 C ATOM 45 C LYS A 4 -5.997 -8.515 88.393 1.00 0.00 C ATOM 46 O LYS A 4 -4.839 -8.674 88.725 1.00 0.00 O ATOM 47 CB LYS A 4 -7.518 -6.547 88.574 1.00 0.00 C ATOM 48 CG LYS A 4 -8.021 -5.287 87.887 1.00 0.00 C ATOM 49 CD LYS A 4 -8.947 -4.546 88.843 1.00 0.00 C ATOM 50 CE LYS A 4 -9.520 -3.314 88.133 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.610 -2.719 88.954 1.00 0.00 N ATOM 0 HA LYS A 4 -5.597 -6.559 87.593 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.348 -7.233 88.746 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.102 -6.297 89.550 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.183 -4.651 87.604 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.551 -5.543 86.970 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.755 -5.202 89.168 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.401 -4.245 89.737 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.733 -2.578 87.970 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.903 -3.594 87.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.995 -1.884 88.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.366 -3.420 89.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.232 -2.436 89.881 1.00 0.00 H new ATOM 65 N GLU A 5 -6.914 -9.429 88.621 1.00 0.00 N ATOM 66 CA GLU A 5 -6.557 -10.709 89.304 1.00 0.00 C ATOM 67 C GLU A 5 -5.231 -11.268 88.760 1.00 0.00 C ATOM 68 O GLU A 5 -4.473 -11.885 89.479 1.00 0.00 O ATOM 69 CB GLU A 5 -7.671 -11.735 89.064 1.00 0.00 C ATOM 70 CG GLU A 5 -7.650 -12.839 90.138 1.00 0.00 C ATOM 71 CD GLU A 5 -8.474 -12.423 91.360 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.427 -11.260 91.727 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.146 -13.285 91.903 1.00 0.00 O ATOM 0 H GLU A 5 -7.896 -9.340 88.361 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.443 -10.515 90.371 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.639 -11.234 89.072 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.552 -12.182 88.077 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.049 -13.765 89.723 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.622 -13.041 90.438 1.00 0.00 H new ATOM 80 N PHE A 6 -4.934 -11.066 87.504 1.00 0.00 N ATOM 81 CA PHE A 6 -3.655 -11.607 86.946 1.00 0.00 C ATOM 82 C PHE A 6 -2.469 -10.790 87.461 1.00 0.00 C ATOM 83 O PHE A 6 -1.628 -11.300 88.167 1.00 0.00 O ATOM 84 CB PHE A 6 -3.690 -11.553 85.407 1.00 0.00 C ATOM 85 CG PHE A 6 -2.330 -11.890 84.817 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.660 -13.069 85.183 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.751 -11.026 83.876 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.413 -13.373 84.609 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.510 -11.334 83.306 1.00 0.00 C ATOM 90 CZ PHE A 6 0.155 -12.507 83.675 1.00 0.00 C ATOM 0 H PHE A 6 -5.516 -10.553 86.842 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.542 -12.642 87.268 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.436 -12.254 85.032 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.995 -10.558 85.082 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.102 -13.741 85.904 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.264 -10.120 83.590 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.105 -14.277 84.891 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.067 -10.666 82.582 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.113 -12.744 83.235 1.00 0.00 H new ATOM 100 N MET A 7 -2.377 -9.538 87.115 1.00 0.00 N ATOM 101 CA MET A 7 -1.226 -8.737 87.595 1.00 0.00 C ATOM 102 C MET A 7 -1.240 -8.722 89.115 1.00 0.00 C ATOM 103 O MET A 7 -0.225 -8.790 89.760 1.00 0.00 O ATOM 104 CB MET A 7 -1.329 -7.315 87.057 1.00 0.00 C ATOM 105 CG MET A 7 -2.357 -6.502 87.852 1.00 0.00 C ATOM 106 SD MET A 7 -2.780 -5.007 86.923 1.00 0.00 S ATOM 107 CE MET A 7 -3.678 -5.804 85.566 1.00 0.00 C ATOM 0 H MET A 7 -3.044 -9.040 86.525 1.00 0.00 H new ATOM 0 HA MET A 7 -0.293 -9.177 87.242 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.355 -6.830 87.112 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.614 -7.340 86.005 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.251 -7.099 88.030 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.952 -6.236 88.828 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.647 -5.322 85.438 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.102 -5.712 84.645 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.825 -6.859 85.797 1.00 0.00 H new ATOM 117 N TRP A 8 -2.403 -8.608 89.679 1.00 0.00 N ATOM 118 CA TRP A 8 -2.522 -8.549 91.157 1.00 0.00 C ATOM 119 C TRP A 8 -1.781 -9.727 91.820 1.00 0.00 C ATOM 120 O TRP A 8 -1.468 -9.674 92.994 1.00 0.00 O ATOM 121 CB TRP A 8 -4.011 -8.566 91.557 1.00 0.00 C ATOM 122 CG TRP A 8 -4.189 -8.079 92.971 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.103 -8.856 94.076 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.474 -6.724 93.443 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.352 -8.068 95.189 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.569 -6.752 94.850 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.663 -5.490 92.790 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.843 -5.606 95.590 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.939 -4.327 93.533 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.027 -4.390 94.935 1.00 0.00 C ATOM 0 H TRP A 8 -3.287 -8.552 89.174 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.062 -7.624 91.505 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.583 -7.936 90.876 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.406 -9.578 91.463 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.878 -9.912 94.088 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.372 -8.422 96.146 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.596 -5.436 91.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.913 -5.659 96.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.083 -3.385 93.026 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.237 -3.496 95.504 1.00 0.00 H new ATOM 141 N ALA A 9 -1.491 -10.793 91.103 1.00 0.00 N ATOM 142 CA ALA A 9 -0.777 -11.937 91.728 1.00 0.00 C ATOM 143 C ALA A 9 0.725 -11.647 91.731 1.00 0.00 C ATOM 144 O ALA A 9 1.410 -11.866 92.715 1.00 0.00 O ATOM 145 CB ALA A 9 -1.064 -13.205 90.923 1.00 0.00 C ATOM 0 H ALA A 9 -1.721 -10.911 90.116 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.118 -12.078 92.754 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.543 -14.049 91.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.137 -13.399 90.920 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.717 -13.072 89.898 1.00 0.00 H new ATOM 151 N LEU A 10 1.237 -11.137 90.641 1.00 0.00 N ATOM 152 CA LEU A 10 2.673 -10.806 90.584 1.00 0.00 C ATOM 153 C LEU A 10 2.961 -9.768 91.662 1.00 0.00 C ATOM 154 O LEU A 10 4.088 -9.509 92.036 1.00 0.00 O ATOM 155 CB LEU A 10 2.984 -10.210 89.208 1.00 0.00 C ATOM 156 CG LEU A 10 2.878 -11.307 88.112 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.599 -11.114 87.277 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.076 -11.237 87.168 1.00 0.00 C ATOM 0 H LEU A 10 0.712 -10.938 89.789 1.00 0.00 H new ATOM 0 HA LEU A 10 3.284 -11.694 90.744 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.289 -9.399 88.989 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.986 -9.781 89.207 1.00 0.00 H new ATOM 0 HG LEU A 10 2.854 -12.274 88.614 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.541 -11.891 86.515 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.727 -11.179 87.927 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.622 -10.136 86.797 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.985 -12.012 86.407 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.104 -10.259 86.688 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.995 -11.390 87.734 1.00 0.00 H new ATOM 170 N LYS A 11 1.928 -9.144 92.112 1.00 0.00 N ATOM 171 CA LYS A 11 2.047 -8.063 93.118 1.00 0.00 C ATOM 172 C LYS A 11 1.974 -8.603 94.557 1.00 0.00 C ATOM 173 O LYS A 11 2.922 -8.511 95.325 1.00 0.00 O ATOM 174 CB LYS A 11 0.848 -7.163 92.864 1.00 0.00 C ATOM 175 CG LYS A 11 0.642 -6.175 94.012 1.00 0.00 C ATOM 176 CD LYS A 11 -0.393 -5.113 93.614 1.00 0.00 C ATOM 177 CE LYS A 11 -0.883 -4.410 94.869 1.00 0.00 C ATOM 178 NZ LYS A 11 0.273 -4.162 95.786 1.00 0.00 N ATOM 0 H LYS A 11 0.972 -9.341 91.818 1.00 0.00 H new ATOM 0 HA LYS A 11 3.005 -7.552 93.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.992 -6.616 91.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.047 -7.772 92.741 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.306 -6.706 94.903 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.588 -5.696 94.264 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.051 -4.392 92.927 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.229 -5.578 93.092 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.362 -3.467 94.607 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.634 -5.020 95.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.045 -3.375 96.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.463 -5.019 96.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.115 -3.920 95.226 1.00 0.00 H new ATOM 192 N ASN A 12 0.825 -9.101 94.939 1.00 0.00 N ATOM 193 CA ASN A 12 0.640 -9.584 96.343 1.00 0.00 C ATOM 194 C ASN A 12 1.317 -10.933 96.529 1.00 0.00 C ATOM 195 O ASN A 12 1.033 -11.652 97.468 1.00 0.00 O ATOM 196 CB ASN A 12 -0.847 -9.733 96.657 1.00 0.00 C ATOM 197 CG ASN A 12 -1.034 -10.131 98.125 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.158 -11.294 98.444 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.066 -9.206 99.042 1.00 0.00 N ATOM 0 H ASN A 12 0.006 -9.194 94.339 1.00 0.00 H new ATOM 0 HA ASN A 12 1.087 -8.853 97.017 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.365 -8.795 96.457 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.291 -10.488 96.007 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.195 -9.462 100.021 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.962 -8.225 98.781 1.00 0.00 H new ATOM 206 N GLY A 13 2.211 -11.286 95.650 1.00 0.00 N ATOM 207 CA GLY A 13 2.914 -12.580 95.799 1.00 0.00 C ATOM 208 C GLY A 13 1.939 -13.753 95.716 1.00 0.00 C ATOM 209 O GLY A 13 2.236 -14.834 96.185 1.00 0.00 O ATOM 0 H GLY A 13 2.482 -10.733 94.837 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.671 -12.677 95.020 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.436 -12.605 96.756 1.00 0.00 H new ATOM 213 N ASP A 14 0.803 -13.590 95.090 1.00 0.00 N ATOM 214 CA ASP A 14 -0.113 -14.757 94.961 1.00 0.00 C ATOM 215 C ASP A 14 0.514 -15.680 93.943 1.00 0.00 C ATOM 216 O ASP A 14 -0.063 -16.042 92.942 1.00 0.00 O ATOM 217 CB ASP A 14 -1.509 -14.339 94.510 1.00 0.00 C ATOM 218 CG ASP A 14 -1.917 -13.025 95.184 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.534 -12.823 96.313 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.616 -12.246 94.560 1.00 0.00 O ATOM 0 H ASP A 14 0.476 -12.719 94.671 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.239 -15.246 95.927 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.528 -14.221 93.427 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.227 -15.121 94.758 1.00 0.00 H new ATOM 225 N LEU A 15 1.728 -16.012 94.212 1.00 0.00 N ATOM 226 CA LEU A 15 2.519 -16.865 93.322 1.00 0.00 C ATOM 227 C LEU A 15 1.706 -18.099 92.935 1.00 0.00 C ATOM 228 O LEU A 15 1.893 -18.683 91.900 1.00 0.00 O ATOM 229 CB LEU A 15 3.801 -17.222 94.073 1.00 0.00 C ATOM 230 CG LEU A 15 4.725 -18.138 93.262 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.203 -19.597 93.261 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.844 -17.610 91.830 1.00 0.00 C ATOM 0 H LEU A 15 2.224 -15.712 95.051 1.00 0.00 H new ATOM 0 HA LEU A 15 2.776 -16.360 92.391 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.335 -16.307 94.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.543 -17.712 95.012 1.00 0.00 H new ATOM 0 HG LEU A 15 5.711 -18.139 93.728 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.878 -20.224 92.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.156 -19.967 94.285 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.207 -19.627 92.819 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.501 -18.262 91.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.858 -17.589 91.367 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.258 -16.602 91.847 1.00 0.00 H new ATOM 244 N ASP A 16 0.790 -18.469 93.762 1.00 0.00 N ATOM 245 CA ASP A 16 -0.074 -19.635 93.477 1.00 0.00 C ATOM 246 C ASP A 16 -0.979 -19.349 92.269 1.00 0.00 C ATOM 247 O ASP A 16 -1.350 -20.243 91.530 1.00 0.00 O ATOM 248 CB ASP A 16 -0.943 -19.902 94.700 1.00 0.00 C ATOM 249 CG ASP A 16 -0.082 -19.829 95.972 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.462 -20.857 96.362 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.011 -18.758 96.542 1.00 0.00 O ATOM 0 H ASP A 16 0.596 -18.003 94.648 1.00 0.00 H new ATOM 0 HA ASP A 16 0.549 -20.501 93.251 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.749 -19.170 94.752 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.409 -20.884 94.620 1.00 0.00 H new ATOM 256 N GLU A 17 -1.353 -18.113 92.079 1.00 0.00 N ATOM 257 CA GLU A 17 -2.251 -17.758 90.938 1.00 0.00 C ATOM 258 C GLU A 17 -1.453 -17.708 89.632 1.00 0.00 C ATOM 259 O GLU A 17 -1.863 -18.261 88.631 1.00 0.00 O ATOM 260 CB GLU A 17 -2.868 -16.391 91.214 1.00 0.00 C ATOM 261 CG GLU A 17 -3.943 -16.539 92.297 1.00 0.00 C ATOM 262 CD GLU A 17 -4.538 -15.170 92.607 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.643 -14.363 91.691 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.878 -14.943 93.750 1.00 0.00 O ATOM 0 H GLU A 17 -1.074 -17.328 92.668 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.032 -18.511 90.838 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.100 -15.690 91.539 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.305 -15.984 90.302 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.724 -17.220 91.959 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.510 -16.973 93.198 1.00 0.00 H new ATOM 271 N VAL A 18 -0.308 -17.075 89.632 1.00 0.00 N ATOM 272 CA VAL A 18 0.515 -17.020 88.377 1.00 0.00 C ATOM 273 C VAL A 18 0.973 -18.454 88.095 1.00 0.00 C ATOM 274 O VAL A 18 1.148 -18.842 86.963 1.00 0.00 O ATOM 275 CB VAL A 18 1.769 -16.110 88.580 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.610 -14.720 87.937 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.000 -15.921 90.059 1.00 0.00 C ATOM 0 H VAL A 18 0.094 -16.596 90.438 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.068 -16.608 87.553 1.00 0.00 H new ATOM 0 HB VAL A 18 2.610 -16.608 88.097 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.512 -14.133 88.111 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.451 -14.831 86.864 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.755 -14.210 88.380 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.873 -15.287 90.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.125 -15.449 90.506 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.168 -16.891 90.528 1.00 0.00 H new ATOM 287 N LYS A 19 1.166 -19.235 89.134 1.00 0.00 N ATOM 288 CA LYS A 19 1.595 -20.648 88.958 1.00 0.00 C ATOM 289 C LYS A 19 0.618 -21.360 88.040 1.00 0.00 C ATOM 290 O LYS A 19 0.998 -22.206 87.263 1.00 0.00 O ATOM 291 CB LYS A 19 1.616 -21.313 90.327 1.00 0.00 C ATOM 292 CG LYS A 19 2.233 -22.733 90.255 1.00 0.00 C ATOM 293 CD LYS A 19 3.222 -22.928 91.419 1.00 0.00 C ATOM 294 CE LYS A 19 4.582 -22.323 91.045 1.00 0.00 C ATOM 295 NZ LYS A 19 5.411 -23.355 90.342 1.00 0.00 N ATOM 0 H LYS A 19 1.041 -18.944 90.104 1.00 0.00 H new ATOM 0 HA LYS A 19 2.588 -20.696 88.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.189 -20.700 91.022 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.601 -21.375 90.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.446 -23.485 90.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.745 -22.870 89.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.836 -22.452 92.321 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.333 -23.989 91.641 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.441 -21.454 90.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.097 -21.976 91.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.333 -22.946 90.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.556 -24.171 90.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.921 -23.665 89.479 1.00 0.00 H new ATOM 309 N ASP A 20 -0.628 -21.020 88.132 1.00 0.00 N ATOM 310 CA ASP A 20 -1.667 -21.661 87.277 1.00 0.00 C ATOM 311 C ASP A 20 -1.477 -21.270 85.800 1.00 0.00 C ATOM 312 O ASP A 20 -1.579 -22.096 84.905 1.00 0.00 O ATOM 313 CB ASP A 20 -3.047 -21.185 87.744 1.00 0.00 C ATOM 314 CG ASP A 20 -4.141 -22.083 87.147 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.028 -23.294 87.281 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.072 -21.543 86.567 1.00 0.00 O ATOM 0 H ASP A 20 -0.983 -20.312 88.774 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.580 -22.744 87.365 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.100 -21.208 88.832 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.207 -20.151 87.439 1.00 0.00 H new ATOM 321 N TYR A 21 -1.230 -20.010 85.540 1.00 0.00 N ATOM 322 CA TYR A 21 -1.066 -19.542 84.124 1.00 0.00 C ATOM 323 C TYR A 21 0.021 -20.329 83.390 1.00 0.00 C ATOM 324 O TYR A 21 -0.247 -20.978 82.403 1.00 0.00 O ATOM 325 CB TYR A 21 -0.701 -18.041 84.115 1.00 0.00 C ATOM 326 CG TYR A 21 -1.953 -17.213 84.287 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.478 -17.030 85.566 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.586 -16.642 83.175 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.643 -16.278 85.738 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.749 -15.884 83.340 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.279 -15.703 84.622 1.00 0.00 C ATOM 332 OH TYR A 21 -5.430 -14.972 84.791 1.00 0.00 O ATOM 0 H TYR A 21 -1.134 -19.282 86.248 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.011 -19.706 83.607 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.004 -17.823 84.917 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.208 -17.782 83.178 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.985 -17.468 86.421 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.174 -16.788 82.187 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.055 -16.138 86.726 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.235 -15.441 82.483 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.740 -14.644 83.921 1.00 0.00 H new ATOM 342 N VAL A 22 1.244 -20.262 83.835 1.00 0.00 N ATOM 343 CA VAL A 22 2.330 -20.993 83.114 1.00 0.00 C ATOM 344 C VAL A 22 2.111 -22.508 83.219 1.00 0.00 C ATOM 345 O VAL A 22 2.669 -23.277 82.468 1.00 0.00 O ATOM 346 CB VAL A 22 3.729 -20.569 83.643 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.257 -21.531 84.719 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.730 -20.565 82.479 1.00 0.00 C ATOM 0 H VAL A 22 1.540 -19.739 84.659 1.00 0.00 H new ATOM 0 HA VAL A 22 2.294 -20.726 82.058 1.00 0.00 H new ATOM 0 HB VAL A 22 3.623 -19.578 84.084 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.237 -21.195 85.059 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.567 -21.548 85.562 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.343 -22.534 84.300 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.713 -20.268 82.845 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.790 -21.564 82.047 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.399 -19.860 81.717 1.00 0.00 H new ATOM 358 N ALA A 23 1.275 -22.945 84.118 1.00 0.00 N ATOM 359 CA ALA A 23 1.003 -24.402 84.228 1.00 0.00 C ATOM 360 C ALA A 23 0.492 -24.865 82.866 1.00 0.00 C ATOM 361 O ALA A 23 0.601 -26.008 82.493 1.00 0.00 O ATOM 362 CB ALA A 23 -0.093 -24.633 85.265 1.00 0.00 C ATOM 0 H ALA A 23 0.770 -22.356 84.780 1.00 0.00 H new ATOM 0 HA ALA A 23 1.901 -24.945 84.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.296 -25.701 85.349 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.234 -24.249 86.231 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.001 -24.115 84.957 1.00 0.00 H new ATOM 368 N LYS A 24 -0.071 -23.950 82.132 1.00 0.00 N ATOM 369 CA LYS A 24 -0.601 -24.293 80.791 1.00 0.00 C ATOM 370 C LYS A 24 0.526 -24.878 79.949 1.00 0.00 C ATOM 371 O LYS A 24 0.653 -26.076 79.832 1.00 0.00 O ATOM 372 CB LYS A 24 -1.172 -23.034 80.120 1.00 0.00 C ATOM 373 CG LYS A 24 -2.640 -22.847 80.521 1.00 0.00 C ATOM 374 CD LYS A 24 -2.807 -22.978 82.050 1.00 0.00 C ATOM 375 CE LYS A 24 -4.109 -22.294 82.472 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.164 -22.599 81.457 1.00 0.00 N ATOM 0 H LYS A 24 -0.186 -22.975 82.407 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.401 -25.028 80.884 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.592 -22.160 80.415 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.090 -23.120 79.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.990 -21.868 80.194 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.258 -23.591 80.017 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.824 -24.029 82.338 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.960 -22.521 82.561 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.419 -22.646 83.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.961 -21.217 82.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.104 -22.477 81.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.066 -21.952 80.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.058 -23.580 81.130 1.00 0.00 H new ATOM 390 N GLY A 25 1.349 -24.045 79.383 1.00 0.00 N ATOM 391 CA GLY A 25 2.476 -24.551 78.559 1.00 0.00 C ATOM 392 C GLY A 25 3.470 -23.438 78.237 1.00 0.00 C ATOM 393 O GLY A 25 3.493 -22.906 77.149 1.00 0.00 O ATOM 0 H GLY A 25 1.289 -23.029 79.456 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.986 -25.355 79.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.090 -24.976 77.633 1.00 0.00 H new ATOM 397 N GLU A 26 4.305 -23.112 79.188 1.00 0.00 N ATOM 398 CA GLU A 26 5.354 -22.057 79.000 1.00 0.00 C ATOM 399 C GLU A 26 4.891 -20.939 78.047 1.00 0.00 C ATOM 400 O GLU A 26 4.908 -21.078 76.841 1.00 0.00 O ATOM 401 CB GLU A 26 6.652 -22.691 78.468 1.00 0.00 C ATOM 402 CG GLU A 26 6.328 -23.771 77.431 1.00 0.00 C ATOM 403 CD GLU A 26 7.618 -24.308 76.830 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.375 -24.914 77.569 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.820 -24.121 75.638 1.00 0.00 O ATOM 0 H GLU A 26 4.306 -23.543 80.113 1.00 0.00 H new ATOM 0 HA GLU A 26 5.536 -21.604 79.975 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.283 -21.924 78.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.217 -23.126 79.292 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.768 -24.581 77.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.695 -23.357 76.646 1.00 0.00 H new ATOM 412 N ASP A 27 4.508 -19.815 78.593 1.00 0.00 N ATOM 413 CA ASP A 27 4.077 -18.657 77.746 1.00 0.00 C ATOM 414 C ASP A 27 4.490 -17.377 78.466 1.00 0.00 C ATOM 415 O ASP A 27 3.769 -16.399 78.513 1.00 0.00 O ATOM 416 CB ASP A 27 2.558 -18.687 77.575 1.00 0.00 C ATOM 417 CG ASP A 27 2.188 -19.639 76.440 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.696 -19.454 75.351 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.406 -20.537 76.674 1.00 0.00 O ATOM 0 H ASP A 27 4.474 -19.646 79.598 1.00 0.00 H new ATOM 0 HA ASP A 27 4.540 -18.706 76.761 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.084 -19.009 78.502 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.187 -17.685 77.358 1.00 0.00 H new ATOM 424 N VAL A 28 5.653 -17.391 79.057 1.00 0.00 N ATOM 425 CA VAL A 28 6.125 -16.202 79.808 1.00 0.00 C ATOM 426 C VAL A 28 6.853 -15.254 78.867 1.00 0.00 C ATOM 427 O VAL A 28 8.065 -15.225 78.794 1.00 0.00 O ATOM 428 CB VAL A 28 7.081 -16.642 80.911 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.292 -17.269 82.056 1.00 0.00 C ATOM 430 CG2 VAL A 28 8.071 -17.666 80.348 1.00 0.00 C ATOM 0 H VAL A 28 6.298 -18.181 79.050 1.00 0.00 H new ATOM 0 HA VAL A 28 5.266 -15.693 80.246 1.00 0.00 H new ATOM 0 HB VAL A 28 7.627 -15.775 81.284 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.979 -17.582 82.842 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.590 -16.538 82.457 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.743 -18.135 81.688 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.755 -17.982 81.136 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.525 -18.532 79.973 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.638 -17.214 79.534 1.00 0.00 H new ATOM 440 N ASN A 29 6.105 -14.497 78.149 1.00 0.00 N ATOM 441 CA ASN A 29 6.664 -13.522 77.183 1.00 0.00 C ATOM 442 C ASN A 29 5.458 -12.858 76.573 1.00 0.00 C ATOM 443 O ASN A 29 5.387 -12.591 75.389 1.00 0.00 O ATOM 444 CB ASN A 29 7.468 -14.243 76.105 1.00 0.00 C ATOM 445 CG ASN A 29 6.779 -15.556 75.748 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.889 -16.573 76.546 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.125 -15.657 74.734 1.00 0.00 N flip ATOM 0 H ASN A 29 5.086 -14.508 78.188 1.00 0.00 H new ATOM 0 HA ASN A 29 7.337 -12.809 77.658 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.555 -13.613 75.219 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.480 -14.436 76.460 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.035 -14.860 74.103 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.664 -16.539 74.510 1.00 0.00 H new ATOM 454 N ARG A 30 4.476 -12.640 77.407 1.00 0.00 N ATOM 455 CA ARG A 30 3.193 -12.049 76.950 1.00 0.00 C ATOM 456 C ARG A 30 2.993 -10.642 77.482 1.00 0.00 C ATOM 457 O ARG A 30 3.186 -10.364 78.646 1.00 0.00 O ATOM 458 CB ARG A 30 2.045 -12.956 77.395 1.00 0.00 C ATOM 459 CG ARG A 30 1.804 -12.927 78.919 1.00 0.00 C ATOM 460 CD ARG A 30 3.051 -13.248 79.743 1.00 0.00 C ATOM 461 NE ARG A 30 2.559 -13.664 81.107 1.00 0.00 N ATOM 462 CZ ARG A 30 3.356 -14.155 82.008 1.00 0.00 C ATOM 463 NH1 ARG A 30 4.638 -14.175 81.826 1.00 0.00 N ATOM 464 NH2 ARG A 30 2.870 -14.577 83.143 1.00 0.00 N ATOM 0 H ARG A 30 4.514 -12.852 78.404 1.00 0.00 H new ATOM 0 HA ARG A 30 3.214 -11.976 75.863 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.132 -12.653 76.883 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.258 -13.979 77.087 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.436 -11.940 79.201 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.020 -13.642 79.168 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.630 -14.046 79.278 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.705 -12.379 79.814 1.00 0.00 H new ATOM 0 HE ARG A 30 1.569 -13.556 81.329 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.037 -13.801 80.965 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.249 -14.564 82.544 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.867 -14.521 83.321 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.493 -14.963 83.852 1.00 0.00 H new ATOM 478 N THR A 31 2.583 -9.745 76.633 1.00 0.00 N ATOM 479 CA THR A 31 2.346 -8.363 77.108 1.00 0.00 C ATOM 480 C THR A 31 1.393 -8.426 78.300 1.00 0.00 C ATOM 481 O THR A 31 0.403 -9.135 78.284 1.00 0.00 O ATOM 482 CB THR A 31 1.734 -7.506 75.992 1.00 0.00 C ATOM 483 OG1 THR A 31 2.378 -7.804 74.769 1.00 0.00 O ATOM 484 CG2 THR A 31 1.940 -6.032 76.311 1.00 0.00 C ATOM 0 H THR A 31 2.404 -9.909 75.642 1.00 0.00 H new ATOM 0 HA THR A 31 3.291 -7.907 77.401 1.00 0.00 H new ATOM 0 HB THR A 31 0.668 -7.720 75.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.989 -7.260 74.053 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.505 -5.424 75.518 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.456 -5.794 77.258 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.007 -5.822 76.386 1.00 0.00 H new ATOM 492 N LEU A 32 1.711 -7.716 79.335 1.00 0.00 N ATOM 493 CA LEU A 32 0.868 -7.725 80.541 1.00 0.00 C ATOM 494 C LEU A 32 -0.566 -7.245 80.219 1.00 0.00 C ATOM 495 O LEU A 32 -1.338 -7.952 79.599 1.00 0.00 O ATOM 496 CB LEU A 32 1.526 -6.815 81.582 1.00 0.00 C ATOM 497 CG LEU A 32 0.925 -7.091 82.999 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.993 -7.726 83.902 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.458 -5.770 83.626 1.00 0.00 C ATOM 0 H LEU A 32 2.536 -7.119 79.393 1.00 0.00 H new ATOM 0 HA LEU A 32 0.784 -8.740 80.929 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.602 -6.986 81.596 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.373 -5.770 81.311 1.00 0.00 H new ATOM 0 HG LEU A 32 0.079 -7.771 82.901 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.569 -7.916 84.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.328 -8.666 83.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.840 -7.047 83.996 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.039 -5.964 84.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.306 -5.091 83.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.303 -5.315 82.992 1.00 0.00 H new ATOM 511 N GLU A 33 -0.933 -6.064 80.659 1.00 0.00 N ATOM 512 CA GLU A 33 -2.319 -5.549 80.415 1.00 0.00 C ATOM 513 C GLU A 33 -2.455 -4.930 79.017 1.00 0.00 C ATOM 514 O GLU A 33 -3.505 -4.994 78.418 1.00 0.00 O ATOM 515 CB GLU A 33 -2.678 -4.508 81.478 1.00 0.00 C ATOM 516 CG GLU A 33 -1.787 -3.274 81.309 1.00 0.00 C ATOM 517 CD GLU A 33 -1.851 -2.431 82.576 1.00 0.00 C ATOM 518 OE1 GLU A 33 -1.496 -2.943 83.615 1.00 0.00 O ATOM 519 OE2 GLU A 33 -2.245 -1.286 82.484 1.00 0.00 O ATOM 0 H GLU A 33 -0.327 -5.430 81.180 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.006 -6.393 80.476 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.727 -4.227 81.387 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.547 -4.930 82.474 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.759 -3.578 81.112 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.116 -2.688 80.451 1.00 0.00 H new ATOM 526 N GLY A 34 -1.423 -4.314 78.491 1.00 0.00 N ATOM 527 CA GLY A 34 -1.553 -3.700 77.136 1.00 0.00 C ATOM 528 C GLY A 34 -0.183 -3.402 76.524 1.00 0.00 C ATOM 529 O GLY A 34 0.035 -3.610 75.347 1.00 0.00 O ATOM 0 H GLY A 34 -0.510 -4.212 78.935 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.107 -4.373 76.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.130 -2.778 77.207 1.00 0.00 H new ATOM 533 N GLY A 35 0.734 -2.900 77.299 1.00 0.00 N ATOM 534 CA GLY A 35 2.091 -2.584 76.732 1.00 0.00 C ATOM 535 C GLY A 35 3.161 -2.737 77.816 1.00 0.00 C ATOM 536 O GLY A 35 4.133 -2.010 77.848 1.00 0.00 O ATOM 0 H GLY A 35 0.614 -2.693 78.291 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.309 -3.250 75.897 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.102 -1.567 76.339 1.00 0.00 H new ATOM 540 N ARG A 36 2.994 -3.686 78.708 1.00 0.00 N ATOM 541 CA ARG A 36 4.001 -3.900 79.787 1.00 0.00 C ATOM 542 C ARG A 36 4.270 -5.409 79.933 1.00 0.00 C ATOM 543 O ARG A 36 3.577 -6.225 79.361 1.00 0.00 O ATOM 544 CB ARG A 36 3.463 -3.328 81.105 1.00 0.00 C ATOM 545 CG ARG A 36 2.542 -2.142 80.816 1.00 0.00 C ATOM 546 CD ARG A 36 2.294 -1.356 82.112 1.00 0.00 C ATOM 547 NE ARG A 36 1.255 -0.321 81.886 1.00 0.00 N ATOM 548 CZ ARG A 36 0.642 0.225 82.905 1.00 0.00 C ATOM 549 NH1 ARG A 36 0.968 -0.113 84.121 1.00 0.00 N ATOM 550 NH2 ARG A 36 -0.288 1.113 82.704 1.00 0.00 N ATOM 0 H ARG A 36 2.198 -4.323 78.731 1.00 0.00 H new ATOM 0 HA ARG A 36 4.932 -3.393 79.535 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.919 -4.098 81.651 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.291 -3.012 81.740 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.993 -1.493 80.065 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.596 -2.495 80.406 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.977 -2.035 82.904 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.220 -0.887 82.446 1.00 0.00 H new ATOM 0 HE ARG A 36 1.019 -0.035 80.936 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.702 -0.804 84.279 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.489 0.313 84.914 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.539 1.383 81.753 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.766 1.539 83.498 1.00 0.00 H new ATOM 564 N LYS A 37 5.280 -5.784 80.694 1.00 0.00 N ATOM 565 CA LYS A 37 5.608 -7.239 80.884 1.00 0.00 C ATOM 566 C LYS A 37 5.377 -7.631 82.371 1.00 0.00 C ATOM 567 O LYS A 37 5.290 -6.755 83.204 1.00 0.00 O ATOM 568 CB LYS A 37 7.079 -7.497 80.455 1.00 0.00 C ATOM 569 CG LYS A 37 8.052 -6.415 80.983 1.00 0.00 C ATOM 570 CD LYS A 37 8.465 -6.754 82.421 1.00 0.00 C ATOM 571 CE LYS A 37 9.342 -5.644 82.997 1.00 0.00 C ATOM 572 NZ LYS A 37 10.371 -5.242 82.007 1.00 0.00 N ATOM 0 H LYS A 37 5.893 -5.140 81.193 1.00 0.00 H new ATOM 0 HA LYS A 37 4.958 -7.855 80.263 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.394 -8.474 80.822 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.136 -7.531 79.367 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.933 -6.361 80.344 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.575 -5.436 80.952 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.577 -6.884 83.040 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.006 -7.700 82.438 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.727 -4.785 83.263 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.822 -5.988 83.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.174 -4.802 82.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.701 -6.081 81.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.961 -4.560 81.337 1.00 0.00 H new ATOM 586 N PRO A 38 5.247 -8.922 82.681 1.00 0.00 N ATOM 587 CA PRO A 38 5.000 -9.368 84.087 1.00 0.00 C ATOM 588 C PRO A 38 6.269 -9.538 84.966 1.00 0.00 C ATOM 589 O PRO A 38 6.254 -10.345 85.870 1.00 0.00 O ATOM 590 CB PRO A 38 4.338 -10.750 83.895 1.00 0.00 C ATOM 591 CG PRO A 38 4.675 -11.233 82.465 1.00 0.00 C ATOM 592 CD PRO A 38 5.268 -10.037 81.695 1.00 0.00 C ATOM 0 HA PRO A 38 4.412 -8.618 84.616 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.708 -11.459 84.636 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.259 -10.680 84.032 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.387 -12.058 82.498 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.780 -11.604 81.966 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.281 -10.247 81.352 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.676 -9.799 80.812 1.00 0.00 H new ATOM 600 N LEU A 39 7.352 -8.813 84.764 1.00 0.00 N ATOM 601 CA LEU A 39 8.557 -9.014 85.663 1.00 0.00 C ATOM 602 C LEU A 39 8.784 -7.790 86.561 1.00 0.00 C ATOM 603 O LEU A 39 9.332 -7.904 87.638 1.00 0.00 O ATOM 604 CB LEU A 39 9.800 -9.235 84.773 1.00 0.00 C ATOM 605 CG LEU A 39 10.971 -10.024 85.472 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.584 -10.761 86.761 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.551 -11.052 84.496 1.00 0.00 C ATOM 0 H LEU A 39 7.459 -8.107 84.036 1.00 0.00 H new ATOM 0 HA LEU A 39 8.383 -9.878 86.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.498 -9.777 83.877 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.176 -8.265 84.448 1.00 0.00 H new ATOM 0 HG LEU A 39 11.695 -9.260 85.755 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.458 -11.272 87.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.213 -10.044 87.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.805 -11.492 86.543 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.361 -11.597 84.981 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.770 -11.752 84.198 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.935 -10.540 83.614 1.00 0.00 H new ATOM 619 N HIS A 40 8.374 -6.628 86.128 1.00 0.00 N ATOM 620 CA HIS A 40 8.592 -5.410 86.953 1.00 0.00 C ATOM 621 C HIS A 40 7.814 -5.529 88.276 1.00 0.00 C ATOM 622 O HIS A 40 8.333 -5.194 89.316 1.00 0.00 O ATOM 623 CB HIS A 40 8.116 -4.176 86.163 1.00 0.00 C ATOM 624 CG HIS A 40 8.030 -2.976 87.056 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.061 -2.631 87.915 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.063 -2.020 87.227 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.697 -1.507 88.559 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.488 -1.094 88.179 1.00 0.00 N ATOM 0 H HIS A 40 7.898 -6.472 85.239 1.00 0.00 H new ATOM 0 HA HIS A 40 9.652 -5.305 87.183 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.805 -3.976 85.342 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.141 -4.376 85.719 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.938 -3.138 88.037 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.118 -1.989 86.705 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.308 -1.002 89.292 1.00 0.00 H new ATOM 636 N TYR A 41 6.596 -5.997 88.246 1.00 0.00 N ATOM 637 CA TYR A 41 5.814 -6.131 89.514 1.00 0.00 C ATOM 638 C TYR A 41 6.413 -7.261 90.333 1.00 0.00 C ATOM 639 O TYR A 41 6.571 -7.168 91.538 1.00 0.00 O ATOM 640 CB TYR A 41 4.360 -6.451 89.200 1.00 0.00 C ATOM 641 CG TYR A 41 3.943 -5.599 88.054 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.279 -5.998 86.766 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.247 -4.400 88.276 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.917 -5.200 85.680 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.884 -3.601 87.187 1.00 0.00 C ATOM 646 CZ TYR A 41 3.224 -4.006 85.884 1.00 0.00 C ATOM 647 OH TYR A 41 2.874 -3.233 84.795 1.00 0.00 O ATOM 0 H TYR A 41 6.107 -6.293 87.401 1.00 0.00 H new ATOM 0 HA TYR A 41 5.856 -5.195 90.071 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.246 -7.506 88.952 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.730 -6.258 90.068 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.817 -6.921 86.606 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.994 -4.097 89.281 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.174 -5.508 84.677 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.346 -2.678 87.346 1.00 0.00 H new ATOM 0 HH TYR A 41 2.202 -2.573 85.065 1.00 0.00 H new ATOM 657 N ALA A 42 6.781 -8.329 89.677 1.00 0.00 N ATOM 658 CA ALA A 42 7.400 -9.453 90.397 1.00 0.00 C ATOM 659 C ALA A 42 8.709 -8.929 90.957 1.00 0.00 C ATOM 660 O ALA A 42 8.914 -8.848 92.133 1.00 0.00 O ATOM 661 CB ALA A 42 7.649 -10.615 89.400 1.00 0.00 C ATOM 0 H ALA A 42 6.675 -8.461 88.671 1.00 0.00 H new ATOM 0 HA ALA A 42 6.766 -9.832 91.199 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.108 -11.453 89.925 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.700 -10.933 88.968 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.314 -10.277 88.606 1.00 0.00 H new ATOM 667 N ALA A 43 9.578 -8.552 90.093 1.00 0.00 N ATOM 668 CA ALA A 43 10.878 -7.990 90.528 1.00 0.00 C ATOM 669 C ALA A 43 10.624 -6.910 91.596 1.00 0.00 C ATOM 670 O ALA A 43 11.080 -7.018 92.718 1.00 0.00 O ATOM 671 CB ALA A 43 11.546 -7.363 89.304 1.00 0.00 C ATOM 0 H ALA A 43 9.450 -8.606 89.083 1.00 0.00 H new ATOM 0 HA ALA A 43 11.518 -8.764 90.952 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.508 -6.939 89.592 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.699 -8.127 88.542 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.907 -6.575 88.905 1.00 0.00 H new ATOM 677 N ASP A 44 9.906 -5.875 91.252 1.00 0.00 N ATOM 678 CA ASP A 44 9.636 -4.773 92.234 1.00 0.00 C ATOM 679 C ASP A 44 8.982 -5.301 93.529 1.00 0.00 C ATOM 680 O ASP A 44 9.302 -4.859 94.623 1.00 0.00 O ATOM 681 CB ASP A 44 8.726 -3.731 91.576 1.00 0.00 C ATOM 682 CG ASP A 44 8.542 -2.540 92.520 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.753 -2.702 93.713 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.222 -1.476 92.027 1.00 0.00 O ATOM 0 H ASP A 44 9.491 -5.740 90.330 1.00 0.00 H new ATOM 0 HA ASP A 44 10.589 -4.322 92.513 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.161 -3.397 90.634 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.758 -4.175 91.341 1.00 0.00 H new ATOM 689 N CYS A 45 8.068 -6.219 93.420 1.00 0.00 N ATOM 690 CA CYS A 45 7.382 -6.744 94.638 1.00 0.00 C ATOM 691 C CYS A 45 6.826 -8.135 94.347 1.00 0.00 C ATOM 692 O CYS A 45 5.622 -8.344 94.350 1.00 0.00 O ATOM 693 CB CYS A 45 6.206 -5.833 94.990 1.00 0.00 C ATOM 694 SG CYS A 45 6.762 -4.121 95.143 1.00 0.00 S ATOM 0 H CYS A 45 7.762 -6.632 92.539 1.00 0.00 H new ATOM 0 HA CYS A 45 8.096 -6.782 95.460 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.438 -5.905 94.220 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.751 -6.160 95.925 1.00 0.00 H new ATOM 0 HG CYS A 45 8.059 -4.078 95.070 1.00 0.00 H new ATOM 700 N GLY A 46 7.695 -9.081 94.094 1.00 0.00 N ATOM 701 CA GLY A 46 7.242 -10.482 93.792 1.00 0.00 C ATOM 702 C GLY A 46 7.611 -11.407 94.943 1.00 0.00 C ATOM 703 O GLY A 46 7.846 -12.580 94.740 1.00 0.00 O ATOM 0 H GLY A 46 8.706 -8.946 94.083 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.164 -10.498 93.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.706 -10.832 92.870 1.00 0.00 H new ATOM 707 N GLN A 47 7.729 -10.890 96.140 1.00 0.00 N ATOM 708 CA GLN A 47 8.147 -11.767 97.273 1.00 0.00 C ATOM 709 C GLN A 47 9.442 -12.455 96.852 1.00 0.00 C ATOM 710 O GLN A 47 9.909 -13.397 97.463 1.00 0.00 O ATOM 711 CB GLN A 47 7.054 -12.788 97.563 1.00 0.00 C ATOM 712 CG GLN A 47 5.864 -12.090 98.248 1.00 0.00 C ATOM 713 CD GLN A 47 5.418 -10.883 97.430 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.089 -11.009 96.272 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.373 -9.711 97.993 1.00 0.00 N ATOM 0 H GLN A 47 7.557 -9.913 96.379 1.00 0.00 H new ATOM 0 HA GLN A 47 8.307 -11.191 98.185 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.728 -13.260 96.636 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.442 -13.580 98.204 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.036 -12.790 98.357 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.148 -11.773 99.252 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.650 -9.603 98.969 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.061 -8.900 97.459 1.00 0.00 H new ATOM 724 N LEU A 48 10.012 -11.934 95.799 1.00 0.00 N ATOM 725 CA LEU A 48 11.289 -12.435 95.241 1.00 0.00 C ATOM 726 C LEU A 48 11.189 -13.896 94.834 1.00 0.00 C ATOM 727 O LEU A 48 12.164 -14.506 94.428 1.00 0.00 O ATOM 728 CB LEU A 48 12.397 -12.242 96.265 1.00 0.00 C ATOM 729 CG LEU A 48 12.842 -10.740 96.408 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.156 -9.770 95.414 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.567 -10.260 97.834 1.00 0.00 C ATOM 0 H LEU A 48 9.620 -11.145 95.284 1.00 0.00 H new ATOM 0 HA LEU A 48 11.519 -11.864 94.341 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.058 -12.609 97.234 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.258 -12.845 95.979 1.00 0.00 H new ATOM 0 HG LEU A 48 13.906 -10.723 96.173 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.521 -8.757 95.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.386 -10.073 94.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.077 -9.797 95.566 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.875 -9.219 97.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.501 -10.345 98.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.128 -10.873 98.539 1.00 0.00 H new ATOM 743 N GLU A 49 10.020 -14.442 94.886 1.00 0.00 N ATOM 744 CA GLU A 49 9.814 -15.838 94.454 1.00 0.00 C ATOM 745 C GLU A 49 9.166 -15.800 93.076 1.00 0.00 C ATOM 746 O GLU A 49 9.425 -16.632 92.223 1.00 0.00 O ATOM 747 CB GLU A 49 8.880 -16.549 95.430 1.00 0.00 C ATOM 748 CG GLU A 49 7.858 -15.549 95.959 1.00 0.00 C ATOM 749 CD GLU A 49 6.842 -16.264 96.860 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.146 -17.342 97.333 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.766 -15.719 97.051 1.00 0.00 O ATOM 0 H GLU A 49 9.179 -13.969 95.217 1.00 0.00 H new ATOM 0 HA GLU A 49 10.764 -16.372 94.425 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.374 -17.376 94.932 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.451 -16.975 96.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.363 -14.762 96.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.344 -15.068 95.127 1.00 0.00 H new ATOM 758 N ILE A 50 8.288 -14.849 92.875 1.00 0.00 N ATOM 759 CA ILE A 50 7.565 -14.754 91.585 1.00 0.00 C ATOM 760 C ILE A 50 8.527 -14.488 90.441 1.00 0.00 C ATOM 761 O ILE A 50 8.365 -15.014 89.358 1.00 0.00 O ATOM 762 CB ILE A 50 6.519 -13.631 91.655 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.583 -13.859 92.898 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.743 -13.580 90.337 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.056 -13.744 92.613 1.00 0.00 C ATOM 0 H ILE A 50 8.044 -14.133 93.559 1.00 0.00 H new ATOM 0 HA ILE A 50 7.067 -15.706 91.401 1.00 0.00 H new ATOM 0 HB ILE A 50 7.003 -12.663 91.789 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.786 -14.849 93.308 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.847 -13.135 93.669 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.000 -12.784 90.383 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.433 -13.385 89.516 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.243 -14.534 90.172 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.500 -13.918 93.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.830 -12.747 92.236 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.768 -14.487 91.869 1.00 0.00 H new ATOM 777 N LEU A 51 9.501 -13.662 90.634 1.00 0.00 N ATOM 778 CA LEU A 51 10.405 -13.396 89.505 1.00 0.00 C ATOM 779 C LEU A 51 11.072 -14.720 89.117 1.00 0.00 C ATOM 780 O LEU A 51 11.019 -15.129 87.981 1.00 0.00 O ATOM 781 CB LEU A 51 11.453 -12.287 89.804 1.00 0.00 C ATOM 782 CG LEU A 51 11.658 -11.986 91.289 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.357 -11.508 91.952 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.250 -13.223 91.980 1.00 0.00 C ATOM 0 H LEU A 51 9.707 -13.170 91.504 1.00 0.00 H new ATOM 0 HA LEU A 51 9.822 -13.005 88.671 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.409 -12.583 89.372 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.146 -11.370 89.300 1.00 0.00 H new ATOM 0 HG LEU A 51 12.366 -11.164 91.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.540 -11.303 93.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.011 -10.599 91.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.596 -12.282 91.859 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.398 -13.012 93.039 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.566 -14.064 91.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.208 -13.472 91.523 1.00 0.00 H new ATOM 796 N GLU A 52 11.685 -15.403 90.041 1.00 0.00 N ATOM 797 CA GLU A 52 12.328 -16.709 89.681 1.00 0.00 C ATOM 798 C GLU A 52 11.310 -17.613 88.952 1.00 0.00 C ATOM 799 O GLU A 52 11.649 -18.349 88.056 1.00 0.00 O ATOM 800 CB GLU A 52 12.811 -17.448 90.946 1.00 0.00 C ATOM 801 CG GLU A 52 13.443 -16.485 91.949 1.00 0.00 C ATOM 802 CD GLU A 52 13.984 -17.289 93.127 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.371 -18.422 92.908 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.990 -16.765 94.229 1.00 0.00 O ATOM 0 H GLU A 52 11.772 -15.124 91.018 1.00 0.00 H new ATOM 0 HA GLU A 52 13.180 -16.496 89.035 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.970 -17.961 91.413 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.536 -18.213 90.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.247 -15.921 91.476 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.705 -15.761 92.293 1.00 0.00 H new ATOM 811 N PHE A 53 10.070 -17.573 89.359 1.00 0.00 N ATOM 812 CA PHE A 53 9.031 -18.456 88.741 1.00 0.00 C ATOM 813 C PHE A 53 8.894 -18.245 87.232 1.00 0.00 C ATOM 814 O PHE A 53 9.393 -19.020 86.455 1.00 0.00 O ATOM 815 CB PHE A 53 7.694 -18.197 89.435 1.00 0.00 C ATOM 816 CG PHE A 53 6.526 -18.723 88.631 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.187 -20.072 88.650 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.769 -17.828 87.878 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.085 -20.514 87.902 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.695 -18.267 87.145 1.00 0.00 C ATOM 821 CZ PHE A 53 4.350 -19.595 87.150 1.00 0.00 C ATOM 0 H PHE A 53 9.726 -16.962 90.100 1.00 0.00 H new ATOM 0 HA PHE A 53 9.343 -19.491 88.879 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.699 -18.668 90.418 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.570 -17.126 89.595 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.766 -20.772 89.234 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.030 -16.780 87.871 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.807 -21.558 87.908 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.119 -17.564 86.562 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.504 -19.932 86.569 1.00 0.00 H new ATOM 831 N LEU A 54 8.160 -17.265 86.804 1.00 0.00 N ATOM 832 CA LEU A 54 7.959 -17.104 85.333 1.00 0.00 C ATOM 833 C LEU A 54 9.300 -16.916 84.604 1.00 0.00 C ATOM 834 O LEU A 54 9.385 -17.094 83.417 1.00 0.00 O ATOM 835 CB LEU A 54 6.983 -15.943 85.005 1.00 0.00 C ATOM 836 CG LEU A 54 7.099 -14.726 85.949 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.533 -14.431 86.342 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.534 -13.498 85.238 1.00 0.00 C ATOM 0 H LEU A 54 7.694 -16.575 87.393 1.00 0.00 H new ATOM 0 HA LEU A 54 7.503 -18.025 84.971 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.162 -15.612 83.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.962 -16.321 85.044 1.00 0.00 H new ATOM 0 HG LEU A 54 6.543 -14.960 86.857 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.558 -13.567 87.006 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.955 -15.295 86.855 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.119 -14.219 85.448 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.610 -12.631 85.894 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.101 -13.313 84.325 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.488 -13.672 84.987 1.00 0.00 H new ATOM 850 N LEU A 55 10.343 -16.601 85.304 1.00 0.00 N ATOM 851 CA LEU A 55 11.687 -16.429 84.645 1.00 0.00 C ATOM 852 C LEU A 55 12.329 -17.799 84.426 1.00 0.00 C ATOM 853 O LEU A 55 12.960 -18.036 83.416 1.00 0.00 O ATOM 854 CB LEU A 55 12.586 -15.579 85.561 1.00 0.00 C ATOM 855 CG LEU A 55 13.720 -14.918 84.776 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.473 -13.925 85.700 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.694 -15.980 84.219 1.00 0.00 C ATOM 0 H LEU A 55 10.337 -16.451 86.313 1.00 0.00 H new ATOM 0 HA LEU A 55 11.566 -15.933 83.682 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.986 -14.812 86.051 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.004 -16.208 86.347 1.00 0.00 H new ATOM 0 HG LEU A 55 13.297 -14.376 83.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.282 -13.452 85.143 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.781 -13.161 86.054 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.886 -14.463 86.553 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.492 -15.486 83.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.123 -16.548 85.044 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.155 -16.656 83.555 1.00 0.00 H new ATOM 869 N LEU A 56 12.191 -18.704 85.357 1.00 0.00 N ATOM 870 CA LEU A 56 12.835 -20.036 85.166 1.00 0.00 C ATOM 871 C LEU A 56 12.201 -20.771 83.988 1.00 0.00 C ATOM 872 O LEU A 56 12.873 -21.460 83.248 1.00 0.00 O ATOM 873 CB LEU A 56 12.810 -20.850 86.469 1.00 0.00 C ATOM 874 CG LEU A 56 11.417 -21.490 86.719 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.377 -22.930 86.176 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.133 -21.548 88.222 1.00 0.00 C ATOM 0 H LEU A 56 11.671 -18.584 86.226 1.00 0.00 H new ATOM 0 HA LEU A 56 13.886 -19.892 84.917 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.567 -21.633 86.424 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.069 -20.203 87.307 1.00 0.00 H new ATOM 0 HG LEU A 56 10.671 -20.879 86.210 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.393 -23.361 86.361 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.574 -22.920 85.104 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.136 -23.530 86.678 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.155 -21.998 88.390 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.898 -22.149 88.714 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.144 -20.539 88.634 1.00 0.00 H new ATOM 888 N LYS A 57 10.929 -20.591 83.757 1.00 0.00 N ATOM 889 CA LYS A 57 10.308 -21.242 82.574 1.00 0.00 C ATOM 890 C LYS A 57 10.981 -20.598 81.370 1.00 0.00 C ATOM 891 O LYS A 57 12.099 -20.916 81.053 1.00 0.00 O ATOM 892 CB LYS A 57 8.781 -20.984 82.565 1.00 0.00 C ATOM 893 CG LYS A 57 8.021 -22.194 83.128 1.00 0.00 C ATOM 894 CD LYS A 57 8.181 -22.234 84.653 1.00 0.00 C ATOM 895 CE LYS A 57 7.604 -23.538 85.203 1.00 0.00 C ATOM 896 NZ LYS A 57 7.634 -23.499 86.697 1.00 0.00 N ATOM 0 H LYS A 57 10.301 -20.028 84.330 1.00 0.00 H new ATOM 0 HA LYS A 57 10.441 -22.324 82.575 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.554 -20.098 83.158 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.448 -20.781 81.547 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.965 -22.129 82.864 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.404 -23.115 82.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.235 -22.152 84.919 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.671 -21.382 85.103 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.581 -23.673 84.852 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.182 -24.387 84.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.828 -24.452 87.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.381 -22.847 87.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.714 -23.170 87.054 1.00 0.00 H new ATOM 910 N GLY A 58 10.350 -19.651 80.739 1.00 0.00 N ATOM 911 CA GLY A 58 11.023 -18.958 79.619 1.00 0.00 C ATOM 912 C GLY A 58 11.992 -17.956 80.228 1.00 0.00 C ATOM 913 O GLY A 58 12.858 -18.348 80.979 1.00 0.00 O ATOM 0 H GLY A 58 9.405 -19.331 80.951 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.553 -19.671 78.988 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.294 -18.452 78.986 1.00 0.00 H new ATOM 917 N ALA A 59 11.840 -16.683 79.962 1.00 0.00 N ATOM 918 CA ALA A 59 12.762 -15.706 80.597 1.00 0.00 C ATOM 919 C ALA A 59 12.510 -14.287 80.105 1.00 0.00 C ATOM 920 O ALA A 59 13.117 -13.819 79.162 1.00 0.00 O ATOM 921 CB ALA A 59 14.212 -16.088 80.332 1.00 0.00 C ATOM 0 H ALA A 59 11.131 -16.288 79.345 1.00 0.00 H new ATOM 0 HA ALA A 59 12.569 -15.733 81.669 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.872 -15.361 80.805 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.409 -17.078 80.744 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.395 -16.099 79.257 1.00 0.00 H new ATOM 927 N ASP A 60 11.650 -13.600 80.787 1.00 0.00 N ATOM 928 CA ASP A 60 11.380 -12.173 80.441 1.00 0.00 C ATOM 929 C ASP A 60 12.549 -11.350 81.003 1.00 0.00 C ATOM 930 O ASP A 60 12.605 -10.141 80.918 1.00 0.00 O ATOM 931 CB ASP A 60 10.069 -11.713 81.079 1.00 0.00 C ATOM 932 CG ASP A 60 9.898 -10.214 80.843 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.459 -9.450 81.607 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.214 -9.858 79.893 1.00 0.00 O ATOM 0 H ASP A 60 11.115 -13.961 81.576 1.00 0.00 H new ATOM 0 HA ASP A 60 11.290 -12.046 79.362 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.230 -12.260 80.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.075 -11.927 82.148 1.00 0.00 H new ATOM 939 N ILE A 61 13.475 -12.043 81.586 1.00 0.00 N ATOM 940 CA ILE A 61 14.684 -11.410 82.194 1.00 0.00 C ATOM 941 C ILE A 61 15.377 -10.465 81.220 1.00 0.00 C ATOM 942 O ILE A 61 16.044 -9.531 81.608 1.00 0.00 O ATOM 943 CB ILE A 61 15.669 -12.534 82.525 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.753 -11.992 83.444 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.313 -13.066 81.230 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.900 -12.999 83.573 1.00 0.00 C ATOM 0 H ILE A 61 13.449 -13.059 81.673 1.00 0.00 H new ATOM 0 HA ILE A 61 14.378 -10.841 83.072 1.00 0.00 H new ATOM 0 HB ILE A 61 15.137 -13.347 83.019 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.132 -11.048 83.052 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.333 -11.783 84.428 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.013 -13.866 81.473 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.537 -13.452 80.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.846 -12.257 80.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.667 -12.595 84.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.520 -13.933 83.987 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.331 -13.187 82.590 1.00 0.00 H new ATOM 958 N ASN A 62 15.269 -10.750 79.961 1.00 0.00 N ATOM 959 CA ASN A 62 15.963 -9.927 78.923 1.00 0.00 C ATOM 960 C ASN A 62 14.972 -9.521 77.831 1.00 0.00 C ATOM 961 O ASN A 62 15.042 -8.428 77.300 1.00 0.00 O ATOM 962 CB ASN A 62 17.103 -10.756 78.319 1.00 0.00 C ATOM 963 CG ASN A 62 16.602 -12.151 77.902 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.367 -12.505 78.170 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.353 -12.930 77.338 1.00 0.00 N flip ATOM 0 H ASN A 62 14.723 -11.529 79.593 1.00 0.00 H new ATOM 0 HA ASN A 62 16.367 -9.022 79.377 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.516 -10.239 77.453 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.910 -10.856 79.045 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.313 -12.653 77.130 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.021 -13.858 77.074 1.00 0.00 H new ATOM 972 N ALA A 63 14.018 -10.383 77.538 1.00 0.00 N ATOM 973 CA ALA A 63 12.941 -10.075 76.511 1.00 0.00 C ATOM 974 C ALA A 63 12.812 -8.565 76.186 1.00 0.00 C ATOM 975 O ALA A 63 12.981 -8.200 75.040 1.00 0.00 O ATOM 976 CB ALA A 63 11.581 -10.669 76.929 1.00 0.00 C ATOM 0 H ALA A 63 13.933 -11.303 77.970 1.00 0.00 H new ATOM 0 HA ALA A 63 13.262 -10.558 75.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.832 -10.431 76.173 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.670 -11.751 77.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.278 -10.245 77.886 1.00 0.00 H new ATOM 982 N PRO A 64 12.520 -7.729 77.183 1.00 0.00 N ATOM 983 CA PRO A 64 12.358 -6.270 77.027 1.00 0.00 C ATOM 984 C PRO A 64 12.760 -5.697 75.674 1.00 0.00 C ATOM 985 O PRO A 64 13.817 -5.970 75.164 1.00 0.00 O ATOM 986 CB PRO A 64 13.162 -5.750 78.210 1.00 0.00 C ATOM 987 CG PRO A 64 13.063 -6.876 79.299 1.00 0.00 C ATOM 988 CD PRO A 64 12.380 -8.091 78.612 1.00 0.00 C ATOM 0 HA PRO A 64 11.314 -5.957 77.033 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.199 -5.562 77.930 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.756 -4.808 78.579 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.052 -7.145 79.671 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.482 -6.537 80.156 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.878 -9.031 78.849 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.337 -8.199 78.909 1.00 0.00 H new ATOM 996 N ASP A 65 11.894 -4.877 75.110 1.00 0.00 N ATOM 997 CA ASP A 65 12.165 -4.230 73.792 1.00 0.00 C ATOM 998 C ASP A 65 11.633 -2.806 73.876 1.00 0.00 C ATOM 999 O ASP A 65 12.257 -1.866 73.440 1.00 0.00 O ATOM 1000 CB ASP A 65 11.444 -4.967 72.653 1.00 0.00 C ATOM 1001 CG ASP A 65 12.199 -6.246 72.276 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.369 -6.354 72.619 1.00 0.00 O ATOM 1003 OD2 ASP A 65 11.583 -7.104 71.654 1.00 0.00 O ATOM 0 H ASP A 65 10.995 -4.629 75.523 1.00 0.00 H new ATOM 0 HA ASP A 65 13.234 -4.254 73.582 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.428 -5.215 72.959 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.365 -4.315 71.783 1.00 0.00 H new ATOM 1008 N LYS A 66 10.465 -2.660 74.425 1.00 0.00 N ATOM 1009 CA LYS A 66 9.842 -1.332 74.556 1.00 0.00 C ATOM 1010 C LYS A 66 10.322 -0.681 75.855 1.00 0.00 C ATOM 1011 O LYS A 66 10.340 0.522 75.991 1.00 0.00 O ATOM 1012 CB LYS A 66 8.326 -1.534 74.589 1.00 0.00 C ATOM 1013 CG LYS A 66 7.610 -0.228 74.226 1.00 0.00 C ATOM 1014 CD LYS A 66 7.186 -0.231 72.746 1.00 0.00 C ATOM 1015 CE LYS A 66 6.725 1.178 72.340 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.062 1.140 71.003 1.00 0.00 N ATOM 0 H LYS A 66 9.907 -3.429 74.796 1.00 0.00 H new ATOM 0 HA LYS A 66 10.113 -0.683 73.723 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.041 -2.320 73.890 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.017 -1.863 75.581 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.733 -0.100 74.860 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.269 0.619 74.419 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.020 -0.547 72.119 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.380 -0.948 72.589 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.034 1.571 73.085 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.580 1.854 72.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.755 2.098 70.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.733 0.784 70.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.235 0.511 71.043 1.00 0.00 H new ATOM 1030 N HIS A 67 10.709 -1.478 76.815 1.00 0.00 N ATOM 1031 CA HIS A 67 11.192 -0.926 78.106 1.00 0.00 C ATOM 1032 C HIS A 67 12.667 -0.571 77.970 1.00 0.00 C ATOM 1033 O HIS A 67 13.257 -0.031 78.882 1.00 0.00 O ATOM 1034 CB HIS A 67 11.000 -1.979 79.220 1.00 0.00 C ATOM 1035 CG HIS A 67 9.592 -1.901 79.762 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.815 -3.028 80.004 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.820 -0.832 80.144 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.643 -2.606 80.508 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.598 -1.280 80.614 1.00 0.00 N ATOM 0 H HIS A 67 10.710 -2.496 76.756 1.00 0.00 H new ATOM 0 HA HIS A 67 10.626 -0.031 78.365 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.193 -2.977 78.827 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.718 -1.808 80.022 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.121 0.204 80.086 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.835 -3.264 80.793 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.826 -0.714 80.967 1.00 0.00 H new ATOM 1047 N HIS A 68 13.268 -0.877 76.845 1.00 0.00 N ATOM 1048 CA HIS A 68 14.726 -0.557 76.649 1.00 0.00 C ATOM 1049 C HIS A 68 15.485 -0.841 77.944 1.00 0.00 C ATOM 1050 O HIS A 68 16.516 -0.254 78.229 1.00 0.00 O ATOM 1051 CB HIS A 68 14.883 0.918 76.282 1.00 0.00 C ATOM 1052 CG HIS A 68 14.269 1.769 77.353 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.734 2.158 78.578 1.00 0.00 N flip ATOM 1054 CD2 HIS A 68 13.005 2.321 77.231 1.00 0.00 C flip ATOM 1055 CE1 HIS A 68 13.780 2.938 79.215 1.00 0.00 C flip ATOM 1056 NE2 HIS A 68 12.755 3.007 78.358 1.00 0.00 N flip ATOM 0 H HIS A 68 12.816 -1.334 76.053 1.00 0.00 H new ATOM 0 HA HIS A 68 15.128 -1.174 75.846 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.939 1.165 76.167 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.403 1.118 75.324 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.342 2.219 76.385 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.850 3.392 80.192 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.891 3.518 78.538 1.00 0.00 H new ATOM 1064 N ILE A 69 14.961 -1.748 78.726 1.00 0.00 N ATOM 1065 CA ILE A 69 15.610 -2.103 80.016 1.00 0.00 C ATOM 1066 C ILE A 69 15.217 -3.501 80.429 1.00 0.00 C ATOM 1067 O ILE A 69 14.254 -4.063 79.972 1.00 0.00 O ATOM 1068 CB ILE A 69 15.210 -1.079 81.109 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.465 -0.593 81.818 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.216 -1.666 82.166 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.186 -1.739 82.483 1.00 0.00 C ATOM 0 H ILE A 69 14.103 -2.261 78.521 1.00 0.00 H new ATOM 0 HA ILE A 69 16.692 -2.073 79.890 1.00 0.00 H new ATOM 0 HB ILE A 69 14.696 -0.258 80.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.128 -0.108 81.101 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.199 0.156 82.564 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.975 -0.900 82.903 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.303 -1.989 81.666 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.677 -2.518 82.665 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.080 -1.366 82.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.528 -2.206 83.216 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.472 -2.475 81.731 1.00 0.00 H new ATOM 1083 N THR A 70 15.985 -4.057 81.299 1.00 0.00 N ATOM 1084 CA THR A 70 15.732 -5.417 81.800 1.00 0.00 C ATOM 1085 C THR A 70 15.350 -5.265 83.279 1.00 0.00 C ATOM 1086 O THR A 70 15.508 -4.209 83.844 1.00 0.00 O ATOM 1087 CB THR A 70 16.995 -6.244 81.624 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.024 -7.278 82.586 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.179 -5.308 81.787 1.00 0.00 C ATOM 0 H THR A 70 16.809 -3.608 81.699 1.00 0.00 H new ATOM 0 HA THR A 70 14.932 -5.925 81.262 1.00 0.00 H new ATOM 0 HB THR A 70 17.028 -6.711 80.640 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.933 -8.145 82.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.106 -5.869 81.667 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.129 -4.523 81.032 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.153 -4.858 82.780 1.00 0.00 H new ATOM 1097 N PRO A 71 14.753 -6.247 83.854 1.00 0.00 N ATOM 1098 CA PRO A 71 14.231 -6.108 85.223 1.00 0.00 C ATOM 1099 C PRO A 71 15.292 -6.060 86.326 1.00 0.00 C ATOM 1100 O PRO A 71 15.001 -5.635 87.432 1.00 0.00 O ATOM 1101 CB PRO A 71 13.303 -7.336 85.359 1.00 0.00 C ATOM 1102 CG PRO A 71 13.217 -7.943 83.942 1.00 0.00 C ATOM 1103 CD PRO A 71 14.499 -7.573 83.267 1.00 0.00 C ATOM 0 HA PRO A 71 13.731 -5.149 85.359 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.706 -8.056 86.071 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.317 -7.045 85.723 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.095 -9.025 83.986 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.359 -7.548 83.398 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.299 -8.281 83.485 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.397 -7.531 82.183 1.00 0.00 H new ATOM 1111 N LEU A 72 16.491 -6.486 86.106 1.00 0.00 N ATOM 1112 CA LEU A 72 17.449 -6.410 87.239 1.00 0.00 C ATOM 1113 C LEU A 72 17.510 -4.977 87.739 1.00 0.00 C ATOM 1114 O LEU A 72 17.551 -4.763 88.928 1.00 0.00 O ATOM 1115 CB LEU A 72 18.886 -6.870 86.861 1.00 0.00 C ATOM 1116 CG LEU A 72 18.968 -7.735 85.591 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.882 -8.849 85.524 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.928 -6.854 84.339 1.00 0.00 C ATOM 0 H LEU A 72 16.846 -6.870 85.230 1.00 0.00 H new ATOM 0 HA LEU A 72 17.085 -7.090 88.010 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.512 -5.988 86.725 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.305 -7.432 87.696 1.00 0.00 H new ATOM 0 HG LEU A 72 19.925 -8.255 85.634 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.001 -9.418 84.602 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.992 -9.516 86.379 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.892 -8.394 85.544 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.987 -7.482 83.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.997 -6.288 84.322 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.772 -6.164 84.352 1.00 0.00 H new ATOM 1130 N LEU A 73 17.487 -4.005 86.849 1.00 0.00 N ATOM 1131 CA LEU A 73 17.529 -2.603 87.317 1.00 0.00 C ATOM 1132 C LEU A 73 16.186 -2.259 87.941 1.00 0.00 C ATOM 1133 O LEU A 73 16.058 -1.363 88.750 1.00 0.00 O ATOM 1134 CB LEU A 73 17.833 -1.645 86.179 1.00 0.00 C ATOM 1135 CG LEU A 73 19.165 -2.043 85.528 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.931 -3.149 84.481 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.810 -0.786 84.910 1.00 0.00 C ATOM 0 H LEU A 73 17.442 -4.132 85.838 1.00 0.00 H new ATOM 0 HA LEU A 73 18.327 -2.501 88.052 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.031 -1.672 85.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.888 -0.623 86.553 1.00 0.00 H new ATOM 0 HG LEU A 73 19.849 -2.448 86.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.882 -3.425 84.024 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.494 -4.022 84.966 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.251 -2.783 83.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.758 -1.055 84.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.142 -0.367 84.158 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.987 -0.046 85.691 1.00 0.00 H new ATOM 1149 N SER A 74 15.173 -2.961 87.565 1.00 0.00 N ATOM 1150 CA SER A 74 13.846 -2.655 88.143 1.00 0.00 C ATOM 1151 C SER A 74 13.935 -2.821 89.662 1.00 0.00 C ATOM 1152 O SER A 74 13.542 -1.957 90.428 1.00 0.00 O ATOM 1153 CB SER A 74 12.766 -3.588 87.568 1.00 0.00 C ATOM 1154 OG SER A 74 11.509 -3.257 88.142 1.00 0.00 O ATOM 0 H SER A 74 15.199 -3.726 86.891 1.00 0.00 H new ATOM 0 HA SER A 74 13.565 -1.633 87.890 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.722 -3.488 86.484 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.015 -4.627 87.782 1.00 0.00 H new ATOM 0 HG SER A 74 11.286 -3.908 88.840 1.00 0.00 H new ATOM 1160 N ALA A 75 14.469 -3.926 90.098 1.00 0.00 N ATOM 1161 CA ALA A 75 14.598 -4.180 91.566 1.00 0.00 C ATOM 1162 C ALA A 75 15.653 -3.258 92.170 1.00 0.00 C ATOM 1163 O ALA A 75 15.605 -2.937 93.351 1.00 0.00 O ATOM 1164 CB ALA A 75 14.986 -5.642 91.788 1.00 0.00 C ATOM 0 H ALA A 75 14.825 -4.671 89.500 1.00 0.00 H new ATOM 0 HA ALA A 75 13.645 -3.978 92.055 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.082 -5.835 92.857 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.216 -6.290 91.370 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.937 -5.845 91.296 1.00 0.00 H new ATOM 1170 N VAL A 76 16.610 -2.832 91.391 1.00 0.00 N ATOM 1171 CA VAL A 76 17.650 -1.944 91.954 1.00 0.00 C ATOM 1172 C VAL A 76 16.960 -0.804 92.681 1.00 0.00 C ATOM 1173 O VAL A 76 16.965 -0.736 93.894 1.00 0.00 O ATOM 1174 CB VAL A 76 18.543 -1.396 90.822 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.383 -0.208 91.293 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.459 -2.495 90.353 1.00 0.00 C ATOM 0 H VAL A 76 16.711 -3.060 90.402 1.00 0.00 H new ATOM 0 HA VAL A 76 18.283 -2.497 92.649 1.00 0.00 H new ATOM 0 HB VAL A 76 17.900 -1.054 90.011 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.999 0.151 90.469 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.724 0.593 91.630 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.025 -0.520 92.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.096 -2.120 89.552 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.080 -2.831 91.184 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.865 -3.331 89.983 1.00 0.00 H new ATOM 1186 N TYR A 77 16.354 0.084 91.961 1.00 0.00 N ATOM 1187 CA TYR A 77 15.666 1.213 92.629 1.00 0.00 C ATOM 1188 C TYR A 77 14.449 0.690 93.407 1.00 0.00 C ATOM 1189 O TYR A 77 13.355 1.208 93.297 1.00 0.00 O ATOM 1190 CB TYR A 77 15.225 2.251 91.570 1.00 0.00 C ATOM 1191 CG TYR A 77 16.078 2.119 90.336 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.299 2.784 90.266 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.654 1.315 89.278 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.107 2.651 89.137 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.461 1.171 88.145 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.684 1.833 88.068 1.00 0.00 C ATOM 1197 OH TYR A 77 18.467 1.676 86.941 1.00 0.00 O ATOM 0 H TYR A 77 16.304 0.080 90.942 1.00 0.00 H new ATOM 0 HA TYR A 77 16.349 1.694 93.330 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.176 2.100 91.315 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.313 3.258 91.977 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.622 3.405 91.089 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.704 0.804 89.334 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.052 3.171 89.081 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.135 0.545 87.328 1.00 0.00 H new ATOM 0 HH TYR A 77 17.897 1.674 86.144 1.00 0.00 H new ATOM 1207 N GLU A 78 14.628 -0.336 94.196 1.00 0.00 N ATOM 1208 CA GLU A 78 13.473 -0.888 94.985 1.00 0.00 C ATOM 1209 C GLU A 78 13.916 -1.137 96.428 1.00 0.00 C ATOM 1210 O GLU A 78 13.148 -1.016 97.365 1.00 0.00 O ATOM 1211 CB GLU A 78 13.046 -2.216 94.354 1.00 0.00 C ATOM 1212 CG GLU A 78 11.559 -2.502 94.635 1.00 0.00 C ATOM 1213 CD GLU A 78 11.166 -2.084 96.057 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.444 -2.835 96.968 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.595 -1.017 96.213 1.00 0.00 O ATOM 0 H GLU A 78 15.517 -0.818 94.332 1.00 0.00 H new ATOM 0 HA GLU A 78 12.643 -0.181 94.978 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.218 -2.184 93.278 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.658 -3.026 94.751 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.942 -1.967 93.913 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.360 -3.565 94.499 1.00 0.00 H new ATOM 1222 N GLY A 79 15.152 -1.523 96.602 1.00 0.00 N ATOM 1223 CA GLY A 79 15.663 -1.832 97.970 1.00 0.00 C ATOM 1224 C GLY A 79 15.482 -3.323 98.214 1.00 0.00 C ATOM 1225 O GLY A 79 15.951 -3.880 99.191 1.00 0.00 O ATOM 0 H GLY A 79 15.833 -1.638 95.852 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.714 -1.557 98.055 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.121 -1.255 98.719 1.00 0.00 H new ATOM 1229 N HIS A 80 14.826 -3.980 97.299 1.00 0.00 N ATOM 1230 CA HIS A 80 14.638 -5.449 97.424 1.00 0.00 C ATOM 1231 C HIS A 80 15.939 -6.126 97.065 1.00 0.00 C ATOM 1232 O HIS A 80 16.512 -6.827 97.866 1.00 0.00 O ATOM 1233 CB HIS A 80 13.518 -5.924 96.486 1.00 0.00 C ATOM 1234 CG HIS A 80 12.198 -5.914 97.204 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.252 -6.884 96.955 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.677 -5.144 98.225 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.240 -6.701 97.799 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.436 -5.652 98.603 1.00 0.00 N ATOM 0 H HIS A 80 14.411 -3.560 96.467 1.00 0.00 H new ATOM 0 HA HIS A 80 14.354 -5.702 98.446 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.468 -5.277 95.610 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.737 -6.930 96.127 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.157 -4.281 98.663 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.361 -7.328 97.831 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.815 -5.301 99.332 1.00 0.00 H new ATOM 1246 N VAL A 81 16.411 -5.902 95.874 1.00 0.00 N ATOM 1247 CA VAL A 81 17.698 -6.499 95.425 1.00 0.00 C ATOM 1248 C VAL A 81 17.955 -7.859 96.071 1.00 0.00 C ATOM 1249 O VAL A 81 19.059 -8.364 96.100 1.00 0.00 O ATOM 1250 CB VAL A 81 18.802 -5.470 95.705 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.841 -4.406 94.567 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.491 -4.741 97.013 1.00 0.00 C ATOM 0 H VAL A 81 15.949 -5.318 95.177 1.00 0.00 H new ATOM 0 HA VAL A 81 17.671 -6.712 94.356 1.00 0.00 H new ATOM 0 HB VAL A 81 19.758 -5.991 95.766 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.627 -3.680 94.774 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.043 -4.898 93.616 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.880 -3.895 94.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.273 -4.009 97.216 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.531 -4.232 96.927 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.448 -5.462 97.830 1.00 0.00 H new ATOM 1262 N SER A 82 16.902 -8.486 96.483 1.00 0.00 N ATOM 1263 CA SER A 82 17.001 -9.852 97.000 1.00 0.00 C ATOM 1264 C SER A 82 16.889 -10.674 95.734 1.00 0.00 C ATOM 1265 O SER A 82 17.323 -11.800 95.629 1.00 0.00 O ATOM 1266 CB SER A 82 15.831 -10.116 97.949 1.00 0.00 C ATOM 1267 OG SER A 82 16.263 -9.928 99.294 1.00 0.00 O ATOM 0 H SER A 82 15.960 -8.095 96.480 1.00 0.00 H new ATOM 0 HA SER A 82 17.906 -10.069 97.568 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.005 -9.442 97.723 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.460 -11.132 97.813 1.00 0.00 H new ATOM 0 HG SER A 82 15.515 -10.095 99.904 1.00 0.00 H new ATOM 1273 N CYS A 83 16.304 -10.042 94.747 1.00 0.00 N ATOM 1274 CA CYS A 83 16.120 -10.660 93.408 1.00 0.00 C ATOM 1275 C CYS A 83 17.409 -10.470 92.587 1.00 0.00 C ATOM 1276 O CYS A 83 18.009 -11.431 92.162 1.00 0.00 O ATOM 1277 CB CYS A 83 14.935 -9.977 92.703 1.00 0.00 C ATOM 1278 SG CYS A 83 14.670 -8.332 93.404 1.00 0.00 S ATOM 0 H CYS A 83 15.937 -9.093 94.822 1.00 0.00 H new ATOM 0 HA CYS A 83 15.913 -11.726 93.506 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.132 -9.899 91.634 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.035 -10.581 92.818 1.00 0.00 H new ATOM 0 HG CYS A 83 13.550 -7.845 92.958 1.00 0.00 H new ATOM 1284 N VAL A 84 17.858 -9.236 92.384 1.00 0.00 N ATOM 1285 CA VAL A 84 19.138 -9.006 91.601 1.00 0.00 C ATOM 1286 C VAL A 84 20.150 -10.102 91.956 1.00 0.00 C ATOM 1287 O VAL A 84 20.851 -10.630 91.110 1.00 0.00 O ATOM 1288 CB VAL A 84 19.751 -7.660 91.967 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.770 -6.531 91.700 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.157 -7.682 93.418 1.00 0.00 C ATOM 0 H VAL A 84 17.400 -8.389 92.722 1.00 0.00 H new ATOM 0 HA VAL A 84 18.902 -9.024 90.537 1.00 0.00 H new ATOM 0 HB VAL A 84 20.631 -7.485 91.349 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.229 -5.579 91.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.506 -6.521 90.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.871 -6.682 92.297 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.597 -6.722 93.687 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.280 -7.866 94.038 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.888 -8.474 93.579 1.00 0.00 H new ATOM 1300 N LYS A 85 20.226 -10.434 93.218 1.00 0.00 N ATOM 1301 CA LYS A 85 21.178 -11.476 93.682 1.00 0.00 C ATOM 1302 C LYS A 85 20.851 -12.840 93.047 1.00 0.00 C ATOM 1303 O LYS A 85 21.581 -13.346 92.214 1.00 0.00 O ATOM 1304 CB LYS A 85 21.056 -11.573 95.208 1.00 0.00 C ATOM 1305 CG LYS A 85 21.763 -10.379 95.882 1.00 0.00 C ATOM 1306 CD LYS A 85 22.117 -10.704 97.353 1.00 0.00 C ATOM 1307 CE LYS A 85 23.501 -11.367 97.425 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.679 -12.003 98.756 1.00 0.00 N ATOM 0 H LYS A 85 19.658 -10.018 93.956 1.00 0.00 H new ATOM 0 HA LYS A 85 22.192 -11.206 93.388 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.004 -11.590 95.495 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.496 -12.508 95.556 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.671 -10.131 95.332 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.118 -9.501 95.845 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.111 -9.791 97.948 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.364 -11.367 97.779 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.599 -12.114 96.637 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.281 -10.624 97.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.616 -12.452 98.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.603 -11.280 99.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.943 -12.724 98.898 1.00 0.00 H new ATOM 1322 N LEU A 86 19.776 -13.451 93.433 1.00 0.00 N ATOM 1323 CA LEU A 86 19.445 -14.775 92.838 1.00 0.00 C ATOM 1324 C LEU A 86 19.233 -14.614 91.321 1.00 0.00 C ATOM 1325 O LEU A 86 19.050 -15.570 90.596 1.00 0.00 O ATOM 1326 CB LEU A 86 18.219 -15.369 93.594 1.00 0.00 C ATOM 1327 CG LEU A 86 16.937 -15.549 92.744 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.540 -14.250 92.020 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.069 -16.729 91.753 1.00 0.00 C ATOM 0 H LEU A 86 19.115 -13.101 94.127 1.00 0.00 H new ATOM 0 HA LEU A 86 20.262 -15.487 92.954 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.502 -16.339 94.004 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.986 -14.721 94.439 1.00 0.00 H new ATOM 0 HG LEU A 86 16.131 -15.792 93.436 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.636 -14.421 91.436 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.355 -13.466 92.754 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.348 -13.942 91.357 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.150 -16.823 91.175 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.905 -16.545 91.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.245 -17.651 92.307 1.00 0.00 H new ATOM 1341 N LEU A 87 19.264 -13.396 90.836 1.00 0.00 N ATOM 1342 CA LEU A 87 19.044 -13.161 89.376 1.00 0.00 C ATOM 1343 C LEU A 87 20.257 -13.562 88.527 1.00 0.00 C ATOM 1344 O LEU A 87 20.190 -14.500 87.748 1.00 0.00 O ATOM 1345 CB LEU A 87 18.732 -11.662 89.157 1.00 0.00 C ATOM 1346 CG LEU A 87 17.330 -11.472 88.575 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.000 -9.972 88.531 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.254 -12.066 87.167 1.00 0.00 C ATOM 0 H LEU A 87 19.432 -12.555 91.389 1.00 0.00 H new ATOM 0 HA LEU A 87 18.209 -13.785 89.057 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.812 -11.128 90.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.471 -11.228 88.483 1.00 0.00 H new ATOM 0 HG LEU A 87 16.606 -11.987 89.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.002 -9.831 88.117 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.035 -9.562 89.540 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.729 -9.457 87.905 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.251 -11.923 86.766 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.977 -11.567 86.522 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.480 -13.132 87.209 1.00 0.00 H new ATOM 1360 N LEU A 88 21.338 -12.843 88.609 1.00 0.00 N ATOM 1361 CA LEU A 88 22.486 -13.188 87.732 1.00 0.00 C ATOM 1362 C LEU A 88 22.840 -14.650 87.891 1.00 0.00 C ATOM 1363 O LEU A 88 23.578 -15.211 87.114 1.00 0.00 O ATOM 1364 CB LEU A 88 23.694 -12.284 88.002 1.00 0.00 C ATOM 1365 CG LEU A 88 24.387 -12.586 89.347 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.354 -12.684 90.462 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.199 -13.905 89.282 1.00 0.00 C ATOM 0 H LEU A 88 21.476 -12.047 89.232 1.00 0.00 H new ATOM 0 HA LEU A 88 22.190 -13.016 86.697 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.416 -12.401 87.194 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.371 -11.243 87.992 1.00 0.00 H new ATOM 0 HG LEU A 88 25.075 -11.766 89.554 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.856 -12.897 91.406 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.815 -11.740 90.543 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.650 -13.485 90.236 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.674 -14.088 90.246 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.530 -14.732 89.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.964 -13.824 88.510 1.00 0.00 H new ATOM 1379 N SER A 89 22.291 -15.270 88.874 1.00 0.00 N ATOM 1380 CA SER A 89 22.558 -16.706 89.060 1.00 0.00 C ATOM 1381 C SER A 89 22.094 -17.397 87.783 1.00 0.00 C ATOM 1382 O SER A 89 22.417 -18.532 87.513 1.00 0.00 O ATOM 1383 CB SER A 89 21.800 -17.221 90.277 1.00 0.00 C ATOM 1384 OG SER A 89 22.312 -18.488 90.657 1.00 0.00 O ATOM 0 H SER A 89 21.667 -14.846 89.560 1.00 0.00 H new ATOM 0 HA SER A 89 23.615 -16.904 89.238 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.897 -16.516 91.103 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.737 -17.301 90.049 1.00 0.00 H new ATOM 0 HG SER A 89 21.824 -18.816 91.441 1.00 0.00 H new ATOM 1390 N LYS A 90 21.358 -16.683 86.981 1.00 0.00 N ATOM 1391 CA LYS A 90 20.869 -17.239 85.687 1.00 0.00 C ATOM 1392 C LYS A 90 21.623 -16.559 84.539 1.00 0.00 C ATOM 1393 O LYS A 90 21.719 -17.063 83.435 1.00 0.00 O ATOM 1394 CB LYS A 90 19.374 -16.922 85.552 1.00 0.00 C ATOM 1395 CG LYS A 90 18.552 -17.923 86.366 1.00 0.00 C ATOM 1396 CD LYS A 90 17.051 -17.690 86.140 1.00 0.00 C ATOM 1397 CE LYS A 90 16.563 -16.441 86.897 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.168 -16.374 88.250 1.00 0.00 N ATOM 0 H LYS A 90 21.069 -15.723 87.169 1.00 0.00 H new ATOM 0 HA LYS A 90 21.032 -18.316 85.654 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.176 -15.908 85.900 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.078 -16.963 84.504 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.816 -18.940 86.078 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.787 -17.821 87.425 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.855 -17.573 85.074 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.490 -18.563 86.473 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.822 -15.545 86.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.476 -16.462 86.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.626 -15.711 88.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.151 -17.318 88.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.152 -16.046 88.174 1.00 0.00 H new ATOM 1412 N GLY A 91 22.131 -15.396 84.799 1.00 0.00 N ATOM 1413 CA GLY A 91 22.865 -14.642 83.747 1.00 0.00 C ATOM 1414 C GLY A 91 22.443 -13.183 83.780 1.00 0.00 C ATOM 1415 O GLY A 91 23.016 -12.387 84.492 1.00 0.00 O ATOM 0 H GLY A 91 22.071 -14.927 85.703 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.940 -14.724 83.909 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.657 -15.070 82.766 1.00 0.00 H new ATOM 1419 N ALA A 92 21.442 -12.834 83.014 1.00 0.00 N ATOM 1420 CA ALA A 92 20.953 -11.419 82.979 1.00 0.00 C ATOM 1421 C ALA A 92 22.096 -10.437 82.773 1.00 0.00 C ATOM 1422 O ALA A 92 21.856 -9.245 82.685 1.00 0.00 O ATOM 1423 CB ALA A 92 20.222 -11.094 84.307 1.00 0.00 C ATOM 0 H ALA A 92 20.935 -13.475 82.403 1.00 0.00 H new ATOM 0 HA ALA A 92 20.268 -11.318 82.138 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.865 -10.064 84.283 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.375 -11.769 84.431 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.911 -11.220 85.142 1.00 0.00 H new ATOM 1429 N ASP A 93 23.316 -10.884 82.675 1.00 0.00 N ATOM 1430 CA ASP A 93 24.409 -9.907 82.467 1.00 0.00 C ATOM 1431 C ASP A 93 24.219 -8.744 83.448 1.00 0.00 C ATOM 1432 O ASP A 93 24.073 -8.945 84.641 1.00 0.00 O ATOM 1433 CB ASP A 93 24.281 -9.410 81.027 1.00 0.00 C ATOM 1434 CG ASP A 93 24.629 -10.545 80.064 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.726 -11.666 80.517 1.00 0.00 O ATOM 1436 OD2 ASP A 93 24.794 -10.270 78.884 1.00 0.00 O ATOM 0 H ASP A 93 23.596 -11.863 82.729 1.00 0.00 H new ATOM 0 HA ASP A 93 25.392 -10.347 82.635 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.266 -9.059 80.841 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.946 -8.562 80.863 1.00 0.00 H new ATOM 1441 N LYS A 94 24.181 -7.546 82.961 1.00 0.00 N ATOM 1442 CA LYS A 94 23.949 -6.401 83.865 1.00 0.00 C ATOM 1443 C LYS A 94 23.670 -5.148 83.030 1.00 0.00 C ATOM 1444 O LYS A 94 22.781 -4.384 83.329 1.00 0.00 O ATOM 1445 CB LYS A 94 25.165 -6.197 84.779 1.00 0.00 C ATOM 1446 CG LYS A 94 24.960 -4.966 85.671 1.00 0.00 C ATOM 1447 CD LYS A 94 23.722 -5.148 86.608 1.00 0.00 C ATOM 1448 CE LYS A 94 22.461 -4.398 86.099 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.722 -3.866 87.285 1.00 0.00 N ATOM 0 H LYS A 94 24.301 -7.310 81.976 1.00 0.00 H new ATOM 0 HA LYS A 94 23.084 -6.599 84.498 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.316 -7.082 85.398 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.065 -6.072 84.176 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.853 -4.796 86.272 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.822 -4.082 85.049 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.495 -6.210 86.698 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.973 -4.790 87.606 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.746 -3.584 85.433 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.824 -5.071 85.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.716 -4.119 87.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.118 -4.278 88.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.817 -2.831 87.318 1.00 0.00 H new ATOM 1463 N THR A 95 24.419 -4.949 81.965 1.00 0.00 N ATOM 1464 CA THR A 95 24.201 -3.754 81.083 1.00 0.00 C ATOM 1465 C THR A 95 23.927 -4.255 79.676 1.00 0.00 C ATOM 1466 O THR A 95 24.522 -3.810 78.718 1.00 0.00 O ATOM 1467 CB THR A 95 25.456 -2.869 81.056 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.619 -3.688 80.881 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.569 -2.099 82.367 1.00 0.00 C ATOM 0 H THR A 95 25.175 -5.567 81.669 1.00 0.00 H new ATOM 0 HA THR A 95 23.366 -3.167 81.464 1.00 0.00 H new ATOM 0 HB THR A 95 25.381 -2.164 80.228 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.418 -3.121 80.862 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.460 -1.472 82.345 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.687 -1.472 82.498 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.640 -2.802 83.197 1.00 0.00 H new ATOM 1477 N VAL A 96 23.045 -5.199 79.542 1.00 0.00 N ATOM 1478 CA VAL A 96 22.747 -5.734 78.197 1.00 0.00 C ATOM 1479 C VAL A 96 21.816 -4.748 77.462 1.00 0.00 C ATOM 1480 O VAL A 96 21.694 -4.795 76.259 1.00 0.00 O ATOM 1481 CB VAL A 96 22.091 -7.127 78.354 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.958 -7.351 77.339 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.151 -8.223 78.181 1.00 0.00 C ATOM 0 H VAL A 96 22.519 -5.621 80.307 1.00 0.00 H new ATOM 0 HA VAL A 96 23.657 -5.846 77.607 1.00 0.00 H new ATOM 0 HB VAL A 96 21.659 -7.173 79.354 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.528 -8.341 77.487 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.186 -6.595 77.482 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.356 -7.276 76.327 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.684 -9.202 78.292 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.597 -8.145 77.190 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.926 -8.102 78.938 1.00 0.00 H new ATOM 1493 N LYS A 97 21.158 -3.851 78.162 1.00 0.00 N ATOM 1494 CA LYS A 97 20.277 -2.904 77.449 1.00 0.00 C ATOM 1495 C LYS A 97 20.001 -1.652 78.274 1.00 0.00 C ATOM 1496 O LYS A 97 19.310 -0.752 77.830 1.00 0.00 O ATOM 1497 CB LYS A 97 18.989 -3.590 77.110 1.00 0.00 C ATOM 1498 CG LYS A 97 18.422 -4.253 78.351 1.00 0.00 C ATOM 1499 CD LYS A 97 17.018 -4.819 78.054 1.00 0.00 C ATOM 1500 CE LYS A 97 17.072 -6.072 77.141 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.064 -5.926 76.056 1.00 0.00 N ATOM 0 H LYS A 97 21.199 -3.744 79.176 1.00 0.00 H new ATOM 0 HA LYS A 97 20.784 -2.587 76.538 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.275 -2.869 76.713 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.156 -4.335 76.332 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.084 -5.054 78.679 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.367 -3.531 79.166 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.526 -5.076 78.992 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.412 -4.049 77.576 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.069 -6.185 76.716 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.870 -6.971 77.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.378 -6.454 75.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.149 -6.301 76.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.959 -4.920 75.812 1.00 0.00 H new ATOM 1515 N GLY A 98 20.550 -1.539 79.438 1.00 0.00 N ATOM 1516 CA GLY A 98 20.317 -0.288 80.197 1.00 0.00 C ATOM 1517 C GLY A 98 21.074 0.815 79.438 1.00 0.00 C ATOM 1518 O GLY A 98 21.772 0.517 78.490 1.00 0.00 O ATOM 0 H GLY A 98 21.137 -2.238 79.892 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.253 -0.060 80.257 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.682 -0.379 81.220 1.00 0.00 H new ATOM 1522 N PRO A 99 20.909 2.044 79.829 1.00 0.00 N ATOM 1523 CA PRO A 99 21.563 3.181 79.140 1.00 0.00 C ATOM 1524 C PRO A 99 23.035 2.869 78.936 1.00 0.00 C ATOM 1525 O PRO A 99 23.476 2.543 77.847 1.00 0.00 O ATOM 1526 CB PRO A 99 21.340 4.378 80.084 1.00 0.00 C ATOM 1527 CG PRO A 99 20.495 3.860 81.278 1.00 0.00 C ATOM 1528 CD PRO A 99 20.095 2.407 80.984 1.00 0.00 C ATOM 0 HA PRO A 99 21.160 3.387 78.148 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.292 4.779 80.430 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.823 5.186 79.567 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.068 3.917 82.203 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.608 4.479 81.414 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.298 1.757 81.835 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.031 2.323 80.765 1.00 0.00 H new ATOM 1536 N ASP A 100 23.784 2.936 79.981 1.00 0.00 N ATOM 1537 CA ASP A 100 25.228 2.610 79.887 1.00 0.00 C ATOM 1538 C ASP A 100 25.669 2.048 81.227 1.00 0.00 C ATOM 1539 O ASP A 100 25.016 1.203 81.804 1.00 0.00 O ATOM 1540 CB ASP A 100 26.021 3.883 79.591 1.00 0.00 C ATOM 1541 CG ASP A 100 27.457 3.524 79.209 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.655 3.133 78.073 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.329 3.623 80.068 1.00 0.00 O ATOM 0 H ASP A 100 23.461 3.205 80.910 1.00 0.00 H new ATOM 0 HA ASP A 100 25.402 1.887 79.090 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.547 4.437 78.780 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.020 4.534 80.465 1.00 0.00 H new ATOM 1548 N GLY A 101 26.760 2.521 81.731 1.00 0.00 N ATOM 1549 CA GLY A 101 27.240 2.022 83.047 1.00 0.00 C ATOM 1550 C GLY A 101 26.190 2.275 84.128 1.00 0.00 C ATOM 1551 O GLY A 101 26.426 1.998 85.298 1.00 0.00 O ATOM 0 H GLY A 101 27.346 3.232 81.294 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.455 0.955 82.982 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.173 2.519 83.313 1.00 0.00 H new ATOM 1555 N LEU A 102 25.021 2.772 83.782 1.00 0.00 N ATOM 1556 CA LEU A 102 24.022 3.007 84.851 1.00 0.00 C ATOM 1557 C LEU A 102 23.911 1.768 85.637 1.00 0.00 C ATOM 1558 O LEU A 102 24.308 1.763 86.783 1.00 0.00 O ATOM 1559 CB LEU A 102 22.657 3.409 84.265 1.00 0.00 C ATOM 1560 CG LEU A 102 21.646 3.851 85.357 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.327 4.164 84.698 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.448 2.765 86.433 1.00 0.00 C ATOM 0 H LEU A 102 24.732 3.015 82.835 1.00 0.00 H new ATOM 0 HA LEU A 102 24.344 3.833 85.485 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.797 4.223 83.553 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.242 2.568 83.710 1.00 0.00 H new ATOM 0 HG LEU A 102 22.044 4.734 85.857 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.607 4.476 85.455 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.464 4.967 83.974 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.955 3.275 84.188 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.733 3.116 87.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.069 1.856 85.967 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.402 2.554 86.917 1.00 0.00 H new ATOM 1574 N THR A 103 23.350 0.729 85.072 1.00 0.00 N ATOM 1575 CA THR A 103 23.184 -0.513 85.864 1.00 0.00 C ATOM 1576 C THR A 103 23.205 -0.118 87.330 1.00 0.00 C ATOM 1577 O THR A 103 22.399 0.667 87.804 1.00 0.00 O ATOM 1578 CB THR A 103 24.311 -1.491 85.569 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.370 -2.456 86.616 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.650 -0.759 85.489 1.00 0.00 C ATOM 0 H THR A 103 23.007 0.692 84.112 1.00 0.00 H new ATOM 0 HA THR A 103 22.246 -1.005 85.607 1.00 0.00 H new ATOM 0 HB THR A 103 24.118 -1.977 84.612 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.306 -2.661 86.820 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.444 -1.475 85.277 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.611 -0.015 84.694 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.851 -0.264 86.439 1.00 0.00 H new ATOM 1588 N ALA A 104 24.138 -0.591 88.034 1.00 0.00 N ATOM 1589 CA ALA A 104 24.226 -0.219 89.448 1.00 0.00 C ATOM 1590 C ALA A 104 25.054 1.062 89.667 1.00 0.00 C ATOM 1591 O ALA A 104 24.841 1.785 90.633 1.00 0.00 O ATOM 1592 CB ALA A 104 24.877 -1.371 90.150 1.00 0.00 C ATOM 0 H ALA A 104 24.861 -1.229 87.701 1.00 0.00 H new ATOM 0 HA ALA A 104 23.229 -0.009 89.836 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.968 -1.145 91.213 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.270 -2.267 90.020 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.868 -1.540 89.729 1.00 0.00 H new ATOM 1598 N LEU A 105 26.015 1.336 88.832 1.00 0.00 N ATOM 1599 CA LEU A 105 26.856 2.531 89.068 1.00 0.00 C ATOM 1600 C LEU A 105 26.043 3.788 89.293 1.00 0.00 C ATOM 1601 O LEU A 105 26.092 4.361 90.353 1.00 0.00 O ATOM 1602 CB LEU A 105 27.751 2.771 87.867 1.00 0.00 C ATOM 1603 CG LEU A 105 28.388 1.473 87.400 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.452 1.801 86.356 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.041 0.767 88.580 1.00 0.00 C ATOM 0 H LEU A 105 26.250 0.788 88.005 1.00 0.00 H new ATOM 0 HA LEU A 105 27.434 2.327 89.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.169 3.208 87.056 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.528 3.490 88.125 1.00 0.00 H new ATOM 0 HG LEU A 105 27.627 0.821 86.971 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.919 0.879 86.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.988 2.311 85.512 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.209 2.447 86.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.497 -0.163 88.241 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.808 1.411 89.010 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.287 0.547 89.335 1.00 0.00 H new ATOM 1617 N GLU A 106 25.386 4.282 88.288 1.00 0.00 N ATOM 1618 CA GLU A 106 24.681 5.578 88.445 1.00 0.00 C ATOM 1619 C GLU A 106 23.349 5.386 89.159 1.00 0.00 C ATOM 1620 O GLU A 106 22.619 6.328 89.400 1.00 0.00 O ATOM 1621 CB GLU A 106 24.422 6.195 87.059 1.00 0.00 C ATOM 1622 CG GLU A 106 25.704 6.212 86.234 1.00 0.00 C ATOM 1623 CD GLU A 106 26.668 7.271 86.782 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.215 8.346 87.139 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.859 6.996 86.803 1.00 0.00 O ATOM 0 H GLU A 106 25.306 3.848 87.369 1.00 0.00 H new ATOM 0 HA GLU A 106 25.309 6.241 89.040 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.655 5.623 86.537 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.042 7.210 87.172 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.176 5.230 86.261 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.472 6.425 85.191 1.00 0.00 H new ATOM 1632 N ALA A 107 23.009 4.174 89.486 1.00 0.00 N ATOM 1633 CA ALA A 107 21.700 3.932 90.159 1.00 0.00 C ATOM 1634 C ALA A 107 21.729 4.320 91.645 1.00 0.00 C ATOM 1635 O ALA A 107 20.765 4.859 92.155 1.00 0.00 O ATOM 1636 CB ALA A 107 21.380 2.450 90.051 1.00 0.00 C ATOM 0 H ALA A 107 23.575 3.342 89.319 1.00 0.00 H new ATOM 0 HA ALA A 107 20.946 4.548 89.669 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.425 2.248 90.537 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.320 2.166 89.000 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.165 1.872 90.538 1.00 0.00 H new ATOM 1642 N THR A 108 22.776 4.013 92.380 1.00 0.00 N ATOM 1643 CA THR A 108 22.731 4.344 93.836 1.00 0.00 C ATOM 1644 C THR A 108 24.112 4.427 94.504 1.00 0.00 C ATOM 1645 O THR A 108 25.130 4.734 93.909 1.00 0.00 O ATOM 1646 CB THR A 108 21.975 3.201 94.508 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.859 3.424 95.912 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.737 1.882 94.259 1.00 0.00 C ATOM 0 H THR A 108 23.629 3.564 92.047 1.00 0.00 H new ATOM 0 HA THR A 108 22.267 5.325 93.943 1.00 0.00 H new ATOM 0 HB THR A 108 20.972 3.145 94.085 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.923 3.608 96.138 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.205 1.059 94.735 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.805 1.698 93.187 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.740 1.957 94.679 1.00 0.00 H new ATOM 1656 N ASP A 109 24.098 4.112 95.779 1.00 0.00 N ATOM 1657 CA ASP A 109 25.332 4.107 96.623 1.00 0.00 C ATOM 1658 C ASP A 109 25.194 3.042 97.704 1.00 0.00 C ATOM 1659 O ASP A 109 26.081 2.857 98.520 1.00 0.00 O ATOM 1660 CB ASP A 109 25.529 5.496 97.256 1.00 0.00 C ATOM 1661 CG ASP A 109 26.844 5.549 98.023 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.862 5.775 97.394 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.809 5.371 99.232 1.00 0.00 O ATOM 0 H ASP A 109 23.251 3.850 96.283 1.00 0.00 H new ATOM 0 HA ASP A 109 26.203 3.878 96.008 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.523 6.261 96.479 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.700 5.717 97.928 1.00 0.00 H new ATOM 1668 N ASN A 110 24.115 2.299 97.698 1.00 0.00 N ATOM 1669 CA ASN A 110 23.974 1.206 98.713 1.00 0.00 C ATOM 1670 C ASN A 110 24.746 0.013 98.182 1.00 0.00 C ATOM 1671 O ASN A 110 24.689 -0.299 97.009 1.00 0.00 O ATOM 1672 CB ASN A 110 22.510 0.832 98.916 1.00 0.00 C ATOM 1673 CG ASN A 110 21.923 0.433 97.595 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.197 -0.751 97.140 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 21.210 1.200 96.980 1.00 0.00 N flip ATOM 0 H ASN A 110 23.337 2.398 97.046 1.00 0.00 H new ATOM 0 HA ASN A 110 24.360 1.532 99.679 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.426 0.012 99.629 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.960 1.675 99.334 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.010 2.125 97.359 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.811 0.919 96.084 1.00 0.00 H new ATOM 1682 N GLN A 111 25.515 -0.614 99.011 1.00 0.00 N ATOM 1683 CA GLN A 111 26.375 -1.744 98.554 1.00 0.00 C ATOM 1684 C GLN A 111 25.584 -3.031 98.243 1.00 0.00 C ATOM 1685 O GLN A 111 26.158 -4.045 97.908 1.00 0.00 O ATOM 1686 CB GLN A 111 27.400 -1.973 99.650 1.00 0.00 C ATOM 1687 CG GLN A 111 28.197 -3.260 99.401 1.00 0.00 C ATOM 1688 CD GLN A 111 29.513 -3.198 100.187 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.667 -3.880 101.173 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.472 -2.389 99.819 1.00 0.00 N ATOM 0 H GLN A 111 25.591 -0.394 100.004 1.00 0.00 H new ATOM 0 HA GLN A 111 26.849 -1.483 97.608 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.081 -1.123 99.698 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.897 -2.034 100.615 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.615 -4.128 99.711 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.400 -3.376 98.336 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.358 -1.807 98.989 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.334 -2.340 100.362 1.00 0.00 H new ATOM 1699 N ALA A 112 24.289 -3.011 98.288 1.00 0.00 N ATOM 1700 CA ALA A 112 23.523 -4.245 97.936 1.00 0.00 C ATOM 1701 C ALA A 112 23.459 -4.327 96.423 1.00 0.00 C ATOM 1702 O ALA A 112 23.735 -5.340 95.789 1.00 0.00 O ATOM 1703 CB ALA A 112 22.100 -4.110 98.478 1.00 0.00 C ATOM 0 H ALA A 112 23.724 -2.204 98.550 1.00 0.00 H new ATOM 0 HA ALA A 112 23.998 -5.132 98.356 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.529 -5.004 98.228 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.133 -3.991 99.561 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.622 -3.238 98.032 1.00 0.00 H new ATOM 1709 N ILE A 113 23.124 -3.237 95.856 1.00 0.00 N ATOM 1710 CA ILE A 113 23.027 -3.142 94.396 1.00 0.00 C ATOM 1711 C ILE A 113 24.418 -3.142 93.813 1.00 0.00 C ATOM 1712 O ILE A 113 24.749 -3.849 92.879 1.00 0.00 O ATOM 1713 CB ILE A 113 22.349 -1.808 94.098 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.839 -1.961 94.397 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.612 -1.404 92.637 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.209 -0.655 94.887 1.00 0.00 C ATOM 0 H ILE A 113 22.904 -2.375 96.354 1.00 0.00 H new ATOM 0 HA ILE A 113 22.467 -3.975 93.970 1.00 0.00 H new ATOM 0 HB ILE A 113 22.753 -1.013 94.725 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.324 -2.294 93.496 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.697 -2.736 95.150 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.126 -0.451 92.430 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.685 -1.307 92.474 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.212 -2.168 91.971 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.149 -0.814 95.083 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.704 -0.334 95.804 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.325 0.114 94.123 1.00 0.00 H new ATOM 1728 N LYS A 114 25.230 -2.316 94.349 1.00 0.00 N ATOM 1729 CA LYS A 114 26.588 -2.227 93.835 1.00 0.00 C ATOM 1730 C LYS A 114 27.188 -3.620 93.892 1.00 0.00 C ATOM 1731 O LYS A 114 28.179 -3.909 93.261 1.00 0.00 O ATOM 1732 CB LYS A 114 27.402 -1.241 94.674 1.00 0.00 C ATOM 1733 CG LYS A 114 26.584 0.041 95.029 1.00 0.00 C ATOM 1734 CD LYS A 114 26.986 1.266 94.169 1.00 0.00 C ATOM 1735 CE LYS A 114 26.237 1.285 92.824 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.119 0.733 91.775 1.00 0.00 N ATOM 0 H LYS A 114 25.010 -1.694 95.127 1.00 0.00 H new ATOM 0 HA LYS A 114 26.594 -1.862 92.808 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.727 -1.729 95.593 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.302 -0.957 94.128 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.522 -0.161 94.891 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.729 0.279 96.083 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.772 2.183 94.718 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.061 1.247 93.987 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.322 0.697 92.894 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.943 2.304 92.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.009 1.287 90.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.108 0.780 92.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 26.861 -0.258 91.591 1.00 0.00 H new ATOM 1750 N ALA A 115 26.547 -4.485 94.629 1.00 0.00 N ATOM 1751 CA ALA A 115 27.016 -5.864 94.715 1.00 0.00 C ATOM 1752 C ALA A 115 26.926 -6.471 93.323 1.00 0.00 C ATOM 1753 O ALA A 115 27.784 -7.214 92.915 1.00 0.00 O ATOM 1754 CB ALA A 115 26.147 -6.663 95.686 1.00 0.00 C ATOM 0 H ALA A 115 25.711 -4.277 95.175 1.00 0.00 H new ATOM 0 HA ALA A 115 28.042 -5.889 95.081 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.510 -7.689 95.739 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.196 -6.209 96.676 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.115 -6.661 95.337 1.00 0.00 H new ATOM 1760 N LEU A 116 25.907 -6.166 92.564 1.00 0.00 N ATOM 1761 CA LEU A 116 25.872 -6.779 91.207 1.00 0.00 C ATOM 1762 C LEU A 116 27.014 -6.243 90.341 1.00 0.00 C ATOM 1763 O LEU A 116 27.407 -6.871 89.384 1.00 0.00 O ATOM 1764 CB LEU A 116 24.520 -6.524 90.497 1.00 0.00 C ATOM 1765 CG LEU A 116 23.542 -7.711 90.600 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.448 -7.493 89.561 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.241 -9.052 90.294 1.00 0.00 C ATOM 0 H LEU A 116 25.132 -5.549 92.809 1.00 0.00 H new ATOM 0 HA LEU A 116 25.992 -7.854 91.339 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.053 -5.639 90.929 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.706 -6.306 89.445 1.00 0.00 H new ATOM 0 HG LEU A 116 23.146 -7.758 91.614 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.735 -8.316 89.605 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.932 -6.555 89.767 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.893 -7.451 88.567 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.520 -9.865 90.377 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.647 -9.028 89.283 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.051 -9.211 91.006 1.00 0.00 H new ATOM 1779 N LEU A 117 27.558 -5.111 90.655 1.00 0.00 N ATOM 1780 CA LEU A 117 28.678 -4.594 89.820 1.00 0.00 C ATOM 1781 C LEU A 117 29.950 -5.317 90.245 1.00 0.00 C ATOM 1782 O LEU A 117 31.028 -5.069 89.752 1.00 0.00 O ATOM 1783 CB LEU A 117 28.756 -3.060 89.999 1.00 0.00 C ATOM 1784 CG LEU A 117 29.849 -2.606 91.015 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.245 -2.465 90.331 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.439 -1.255 91.619 1.00 0.00 C ATOM 0 H LEU A 117 27.285 -4.523 91.442 1.00 0.00 H new ATOM 0 HA LEU A 117 28.530 -4.784 88.757 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.957 -2.599 89.032 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.786 -2.691 90.332 1.00 0.00 H new ATOM 0 HG LEU A 117 29.931 -3.365 91.793 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.981 -2.147 91.069 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.543 -3.426 89.911 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.187 -1.723 89.534 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.198 -0.930 92.331 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.345 -0.515 90.825 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.483 -1.361 92.131 1.00 0.00 H new ATOM 1798 N GLN A 118 29.804 -6.237 91.156 1.00 0.00 N ATOM 1799 CA GLN A 118 30.963 -7.013 91.645 1.00 0.00 C ATOM 1800 C GLN A 118 31.535 -7.837 90.491 1.00 0.00 C ATOM 1801 O GLN A 118 30.771 -8.243 89.620 1.00 0.00 O ATOM 1802 CB GLN A 118 30.495 -7.951 92.779 1.00 0.00 C ATOM 1803 CG GLN A 118 29.680 -9.142 92.208 1.00 0.00 C ATOM 1804 CD GLN A 118 30.611 -10.299 91.836 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.895 -10.093 91.802 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.167 -11.403 91.575 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.734 -8.040 90.490 1.00 0.00 O ATOM 0 H GLN A 118 28.913 -6.484 91.586 1.00 0.00 H new ATOM 0 HA GLN A 118 31.733 -6.342 92.024 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.359 -8.326 93.327 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.884 -7.394 93.489 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.950 -9.477 92.945 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.121 -8.820 91.329 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.161 -11.567 91.601 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.802 -12.163 91.331 1.00 0.00 H new