USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1060 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 74 SER OG : rot 122:sc= 0.496 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 82 HIS : no HE2:sc= -2.64! C(o=-4.4!,f=-11!) USER MOD Set 2.2: A 132 THR OG1 : rot 153:sc= -1.73! USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 50 ASN : amide:sc= -0.232 X(o=-0.23,f=0.012) USER MOD Set 4.1: A 27 MET CE :methyl -137:sc= -5.82! (180deg=-1.21) USER MOD Set 4.2: A 31 ASN : amide:sc= -6.98! C(o=-12!,f=-13!) USER MOD Set 4.3: A 98 TYR OH : rot 89:sc= 0.486 USER MOD Single : A 4 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 9 GLN : amide:sc= -6.68! K(o=-6.7!,f=-2.2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.43! K(o=-3.4!,f=-0.56) USER MOD Single : A 17 SER OG : rot -6:sc= -0.16 USER MOD Single : A 19 ASN : amide:sc= -2.8! K(o=-2.8!,f=-0.036) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0077 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0827 X(o=-0.083,f=-0.083) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 ASN : amide:sc= -10! C(o=-10!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -173:sc= -0.692 USER MOD Single : A 53 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.043) USER MOD Single : A 57 ASN : amide:sc= -2.25! K(o=-2.2!,f=-3.7) USER MOD Single : A 58 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.7) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.17) USER MOD Single : A 65 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.799 K(o=-0.8,f=0.7) USER MOD Single : A 70 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.5) USER MOD Single : A 72 HIS : no HE2:sc= -8.99! C(o=-9!,f=-9.9!) USER MOD Single : A 87 ASN : amide:sc= -9.59! C(o=-9.6!,f=-9.1!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 92 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.28) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0201 K(o=-0.02,f=-0.68) USER MOD Single : A 113 ASN : amide:sc= -0.0235 K(o=-0.024,f=-0.94) USER MOD Single : A 119 SER OG : rot 152:sc= -1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-5.2!) USER MOD Single : A 131 THR OG1 : rot 42:sc= 0.0943 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.127 -11.251 -3.352 1.00 33.43 N ATOM 26 CA PRO A 2 7.477 -12.513 -4.011 1.00 42.21 C ATOM 27 C PRO A 2 8.574 -12.336 -5.055 1.00 2.51 C ATOM 28 O PRO A 2 8.946 -11.219 -5.417 1.00 31.34 O ATOM 29 CB PRO A 2 6.167 -12.940 -4.679 1.00 64.13 C ATOM 30 CG PRO A 2 5.416 -11.671 -4.887 1.00 42.43 C ATOM 31 CD PRO A 2 5.786 -10.778 -3.736 1.00 14.42 C ATOM 0 HA PRO A 2 7.870 -13.246 -3.306 1.00 42.21 H new ATOM 0 HB2 PRO A 2 6.353 -13.450 -5.625 1.00 64.13 H new ATOM 0 HB3 PRO A 2 5.608 -13.632 -4.048 1.00 64.13 H new ATOM 0 HG2 PRO A 2 5.682 -11.211 -5.839 1.00 42.43 H new ATOM 0 HG3 PRO A 2 4.342 -11.853 -4.910 1.00 42.43 H new ATOM 0 HD2 PRO A 2 5.799 -9.729 -4.030 1.00 14.42 H new ATOM 0 HD3 PRO A 2 5.077 -10.869 -2.913 1.00 14.42 H new ATOM 39 N PRO A 3 9.107 -13.462 -5.552 1.00 10.34 N ATOM 40 CA PRO A 3 10.169 -13.457 -6.562 1.00 4.43 C ATOM 41 C PRO A 3 9.674 -12.976 -7.921 1.00 52.31 C ATOM 42 O PRO A 3 10.470 -12.620 -8.791 1.00 33.23 O ATOM 43 CB PRO A 3 10.595 -14.925 -6.637 1.00 33.04 C ATOM 44 CG PRO A 3 9.397 -15.690 -6.191 1.00 23.03 C ATOM 45 CD PRO A 3 8.714 -14.828 -5.166 1.00 12.32 C ATOM 0 HA PRO A 3 10.979 -12.777 -6.298 1.00 4.43 H new ATOM 0 HB2 PRO A 3 10.887 -15.201 -7.650 1.00 33.04 H new ATOM 0 HB3 PRO A 3 11.453 -15.122 -5.994 1.00 33.04 H new ATOM 0 HG2 PRO A 3 8.733 -15.899 -7.030 1.00 23.03 H new ATOM 0 HG3 PRO A 3 9.684 -16.651 -5.764 1.00 23.03 H new ATOM 0 HD2 PRO A 3 7.632 -14.957 -5.190 1.00 12.32 H new ATOM 0 HD3 PRO A 3 9.042 -15.070 -4.155 1.00 12.32 H new ATOM 53 N GLN A 4 8.357 -12.966 -8.096 1.00 14.00 N ATOM 54 CA GLN A 4 7.757 -12.528 -9.351 1.00 11.30 C ATOM 55 C GLN A 4 7.570 -11.014 -9.366 1.00 23.21 C ATOM 56 O GLN A 4 7.767 -10.363 -10.393 1.00 5.03 O ATOM 57 CB GLN A 4 6.411 -13.222 -9.567 1.00 13.33 C ATOM 58 CG GLN A 4 6.062 -13.431 -11.031 1.00 54.23 C ATOM 59 CD GLN A 4 5.207 -14.662 -11.258 1.00 0.42 C ATOM 60 OE1 GLN A 4 4.184 -14.605 -11.941 1.00 0.34 O ATOM 61 NE2 GLN A 4 5.624 -15.785 -10.686 1.00 30.44 N ATOM 0 H GLN A 4 7.685 -13.256 -7.385 1.00 14.00 H new ATOM 0 HA GLN A 4 8.433 -12.800 -10.162 1.00 11.30 H new ATOM 0 HB2 GLN A 4 6.425 -14.189 -9.064 1.00 13.33 H new ATOM 0 HB3 GLN A 4 5.627 -12.629 -9.096 1.00 13.33 H new ATOM 0 HG2 GLN A 4 5.534 -12.553 -11.403 1.00 54.23 H new ATOM 0 HG3 GLN A 4 6.981 -13.520 -11.610 1.00 54.23 H new ATOM 0 HE21 GLN A 4 6.478 -15.787 -10.128 1.00 30.44 H new ATOM 0 HE22 GLN A 4 5.090 -16.646 -10.804 1.00 30.44 H new ATOM 70 N PHE A 5 7.186 -10.459 -8.221 1.00 42.34 N ATOM 71 CA PHE A 5 6.972 -9.021 -8.103 1.00 31.34 C ATOM 72 C PHE A 5 8.005 -8.391 -7.174 1.00 70.43 C ATOM 73 O PHE A 5 8.334 -8.944 -6.125 1.00 20.34 O ATOM 74 CB PHE A 5 5.561 -8.737 -7.582 1.00 72.34 C ATOM 75 CG PHE A 5 4.509 -9.621 -8.187 1.00 62.42 C ATOM 76 CD1 PHE A 5 4.340 -9.679 -9.562 1.00 41.54 C ATOM 77 CD2 PHE A 5 3.688 -10.396 -7.383 1.00 45.44 C ATOM 78 CE1 PHE A 5 3.372 -10.491 -10.121 1.00 43.53 C ATOM 79 CE2 PHE A 5 2.719 -11.210 -7.937 1.00 62.01 C ATOM 80 CZ PHE A 5 2.561 -11.259 -9.308 1.00 50.42 C ATOM 0 H PHE A 5 7.017 -10.983 -7.362 1.00 42.34 H new ATOM 0 HA PHE A 5 7.084 -8.579 -9.093 1.00 31.34 H new ATOM 0 HB2 PHE A 5 5.550 -8.862 -6.499 1.00 72.34 H new ATOM 0 HB3 PHE A 5 5.310 -7.696 -7.785 1.00 72.34 H new ATOM 0 HD1 PHE A 5 4.972 -9.083 -10.203 1.00 41.54 H new ATOM 0 HD2 PHE A 5 3.807 -10.363 -6.310 1.00 45.44 H new ATOM 0 HE1 PHE A 5 3.249 -10.525 -11.193 1.00 43.53 H new ATOM 0 HE2 PHE A 5 2.085 -11.808 -7.298 1.00 62.01 H new ATOM 0 HZ PHE A 5 1.805 -11.896 -9.744 1.00 50.42 H new ATOM 90 N THR A 6 8.516 -7.229 -7.569 1.00 13.21 N ATOM 91 CA THR A 6 9.514 -6.523 -6.774 1.00 14.14 C ATOM 92 C THR A 6 8.936 -6.079 -5.435 1.00 24.45 C ATOM 93 O THR A 6 7.801 -6.413 -5.096 1.00 30.44 O ATOM 94 CB THR A 6 10.056 -5.289 -7.520 1.00 34.31 C ATOM 95 OG1 THR A 6 9.039 -4.743 -8.368 1.00 34.13 O ATOM 96 CG2 THR A 6 11.275 -5.654 -8.353 1.00 64.33 C ATOM 0 H THR A 6 8.255 -6.757 -8.435 1.00 13.21 H new ATOM 0 HA THR A 6 10.332 -7.222 -6.600 1.00 14.14 H new ATOM 0 HB THR A 6 10.350 -4.544 -6.780 1.00 34.31 H new ATOM 0 HG1 THR A 6 9.391 -3.958 -8.837 1.00 34.13 H new ATOM 0 HG21 THR A 6 11.641 -4.767 -8.871 1.00 64.33 H new ATOM 0 HG22 THR A 6 12.058 -6.042 -7.702 1.00 64.33 H new ATOM 0 HG23 THR A 6 11.001 -6.414 -9.085 1.00 64.33 H new ATOM 104 N ARG A 7 9.724 -5.324 -4.677 1.00 4.23 N ATOM 105 CA ARG A 7 9.290 -4.835 -3.373 1.00 65.15 C ATOM 106 C ARG A 7 8.312 -3.674 -3.527 1.00 44.42 C ATOM 107 O ARG A 7 7.381 -3.525 -2.737 1.00 2.44 O ATOM 108 CB ARG A 7 10.497 -4.393 -2.544 1.00 3.51 C ATOM 109 CG ARG A 7 11.352 -5.549 -2.049 1.00 11.25 C ATOM 110 CD ARG A 7 12.773 -5.100 -1.746 1.00 24.22 C ATOM 111 NE ARG A 7 13.394 -5.916 -0.705 1.00 54.42 N ATOM 112 CZ ARG A 7 14.413 -5.505 0.039 1.00 3.54 C ATOM 113 NH1 ARG A 7 14.925 -4.294 -0.140 1.00 14.13 N ATOM 114 NH2 ARG A 7 14.925 -6.305 0.968 1.00 75.24 N ATOM 0 H ARG A 7 10.666 -5.037 -4.943 1.00 4.23 H new ATOM 0 HA ARG A 7 8.782 -5.650 -2.857 1.00 65.15 H new ATOM 0 HB2 ARG A 7 11.115 -3.726 -3.145 1.00 3.51 H new ATOM 0 HB3 ARG A 7 10.147 -3.818 -1.687 1.00 3.51 H new ATOM 0 HG2 ARG A 7 10.905 -5.976 -1.151 1.00 11.25 H new ATOM 0 HG3 ARG A 7 11.371 -6.337 -2.801 1.00 11.25 H new ATOM 0 HD2 ARG A 7 13.372 -5.154 -2.655 1.00 24.22 H new ATOM 0 HD3 ARG A 7 12.764 -4.056 -1.432 1.00 24.22 H new ATOM 0 HE ARG A 7 13.024 -6.852 -0.541 1.00 54.42 H new ATOM 0 HH11 ARG A 7 14.535 -3.676 -0.851 1.00 14.13 H new ATOM 0 HH12 ARG A 7 15.708 -3.982 0.434 1.00 14.13 H new ATOM 0 HH21 ARG A 7 14.535 -7.237 1.110 1.00 75.24 H new ATOM 0 HH22 ARG A 7 15.708 -5.988 1.539 1.00 75.24 H new ATOM 128 N ALA A 8 8.532 -2.853 -4.549 1.00 21.01 N ATOM 129 CA ALA A 8 7.670 -1.706 -4.806 1.00 31.03 C ATOM 130 C ALA A 8 6.472 -2.100 -5.664 1.00 23.44 C ATOM 131 O ALA A 8 5.327 -2.005 -5.227 1.00 54.31 O ATOM 132 CB ALA A 8 8.459 -0.592 -5.478 1.00 62.34 C ATOM 0 H ALA A 8 9.300 -2.961 -5.212 1.00 21.01 H new ATOM 0 HA ALA A 8 7.295 -1.344 -3.849 1.00 31.03 H new ATOM 0 HB1 ALA A 8 7.802 0.258 -5.664 1.00 62.34 H new ATOM 0 HB2 ALA A 8 9.278 -0.283 -4.828 1.00 62.34 H new ATOM 0 HB3 ALA A 8 8.863 -0.952 -6.424 1.00 62.34 H new ATOM 138 N GLN A 9 6.748 -2.544 -6.886 1.00 75.02 N ATOM 139 CA GLN A 9 5.691 -2.952 -7.805 1.00 44.12 C ATOM 140 C GLN A 9 4.692 -3.873 -7.112 1.00 43.35 C ATOM 141 O GLN A 9 3.519 -3.922 -7.482 1.00 14.33 O ATOM 142 CB GLN A 9 6.291 -3.655 -9.025 1.00 32.23 C ATOM 143 CG GLN A 9 6.299 -5.171 -8.910 1.00 61.14 C ATOM 144 CD GLN A 9 5.107 -5.814 -9.590 1.00 71.32 C ATOM 145 OE1 GLN A 9 5.111 -6.030 -10.802 1.00 74.52 O ATOM 146 NE2 GLN A 9 4.077 -6.124 -8.811 1.00 75.10 N ATOM 0 H GLN A 9 7.692 -2.630 -7.262 1.00 75.02 H new ATOM 0 HA GLN A 9 5.163 -2.056 -8.133 1.00 44.12 H new ATOM 0 HB2 GLN A 9 5.727 -3.369 -9.913 1.00 32.23 H new ATOM 0 HB3 GLN A 9 7.313 -3.304 -9.170 1.00 32.23 H new ATOM 0 HG2 GLN A 9 7.217 -5.560 -9.350 1.00 61.14 H new ATOM 0 HG3 GLN A 9 6.307 -5.452 -7.857 1.00 61.14 H new ATOM 0 HE21 GLN A 9 4.116 -5.927 -7.811 1.00 75.10 H new ATOM 0 HE22 GLN A 9 3.246 -6.559 -9.213 1.00 75.10 H new ATOM 155 N TRP A 10 5.166 -4.602 -6.109 1.00 30.35 N ATOM 156 CA TRP A 10 4.313 -5.522 -5.365 1.00 20.43 C ATOM 157 C TRP A 10 3.536 -4.787 -4.278 1.00 24.23 C ATOM 158 O TRP A 10 2.452 -5.214 -3.880 1.00 74.34 O ATOM 159 CB TRP A 10 5.154 -6.638 -4.741 1.00 41.15 C ATOM 160 CG TRP A 10 4.331 -7.721 -4.113 1.00 64.11 C ATOM 161 CD1 TRP A 10 4.471 -8.232 -2.854 1.00 41.44 C ATOM 162 CD2 TRP A 10 3.242 -8.429 -4.716 1.00 63.25 C ATOM 163 NE1 TRP A 10 3.536 -9.214 -2.638 1.00 35.43 N ATOM 164 CE2 TRP A 10 2.769 -9.353 -3.765 1.00 23.41 C ATOM 165 CE3 TRP A 10 2.620 -8.370 -5.966 1.00 22.33 C ATOM 166 CZ2 TRP A 10 1.703 -10.212 -4.027 1.00 43.40 C ATOM 167 CZ3 TRP A 10 1.564 -9.223 -6.225 1.00 11.42 C ATOM 168 CH2 TRP A 10 1.113 -10.133 -5.259 1.00 44.22 C ATOM 0 H TRP A 10 6.135 -4.574 -5.792 1.00 30.35 H new ATOM 0 HA TRP A 10 3.599 -5.960 -6.062 1.00 20.43 H new ATOM 0 HB2 TRP A 10 5.792 -7.075 -5.509 1.00 41.15 H new ATOM 0 HB3 TRP A 10 5.813 -6.208 -3.986 1.00 41.15 H new ATOM 0 HD1 TRP A 10 5.209 -7.911 -2.134 1.00 41.44 H new ATOM 0 HE1 TRP A 10 3.430 -9.753 -1.778 1.00 35.43 H new ATOM 0 HE3 TRP A 10 2.958 -7.670 -6.716 1.00 22.33 H new ATOM 0 HZ2 TRP A 10 1.355 -10.915 -3.284 1.00 43.40 H new ATOM 0 HZ3 TRP A 10 1.078 -9.188 -7.189 1.00 11.42 H new ATOM 0 HH2 TRP A 10 0.284 -10.784 -5.492 1.00 44.22 H new ATOM 179 N PHE A 11 4.096 -3.680 -3.802 1.00 71.24 N ATOM 180 CA PHE A 11 3.455 -2.885 -2.761 1.00 62.00 C ATOM 181 C PHE A 11 2.144 -2.285 -3.263 1.00 24.40 C ATOM 182 O PHE A 11 1.104 -2.412 -2.619 1.00 73.54 O ATOM 183 CB PHE A 11 4.392 -1.771 -2.291 1.00 11.21 C ATOM 184 CG PHE A 11 3.671 -0.534 -1.835 1.00 44.21 C ATOM 185 CD1 PHE A 11 3.194 0.384 -2.757 1.00 64.01 C ATOM 186 CD2 PHE A 11 3.470 -0.291 -0.487 1.00 11.52 C ATOM 187 CE1 PHE A 11 2.532 1.523 -2.341 1.00 14.15 C ATOM 188 CE2 PHE A 11 2.807 0.846 -0.064 1.00 40.31 C ATOM 189 CZ PHE A 11 2.337 1.754 -0.993 1.00 13.11 C ATOM 0 H PHE A 11 4.993 -3.313 -4.121 1.00 71.24 H new ATOM 0 HA PHE A 11 3.234 -3.543 -1.921 1.00 62.00 H new ATOM 0 HB2 PHE A 11 5.007 -2.146 -1.473 1.00 11.21 H new ATOM 0 HB3 PHE A 11 5.068 -1.509 -3.104 1.00 11.21 H new ATOM 0 HD1 PHE A 11 3.341 0.207 -3.812 1.00 64.01 H new ATOM 0 HD2 PHE A 11 3.836 -0.998 0.243 1.00 11.52 H new ATOM 0 HE1 PHE A 11 2.167 2.232 -3.069 1.00 14.15 H new ATOM 0 HE2 PHE A 11 2.657 1.024 0.991 1.00 40.31 H new ATOM 0 HZ PHE A 11 1.818 2.643 -0.666 1.00 13.11 H new ATOM 199 N ALA A 12 2.205 -1.631 -4.419 1.00 23.34 N ATOM 200 CA ALA A 12 1.025 -1.013 -5.009 1.00 40.23 C ATOM 201 C ALA A 12 -0.007 -2.064 -5.404 1.00 63.20 C ATOM 202 O ALA A 12 -1.206 -1.788 -5.443 1.00 12.32 O ATOM 203 CB ALA A 12 1.416 -0.174 -6.217 1.00 23.21 C ATOM 0 H ALA A 12 3.059 -1.516 -4.965 1.00 23.34 H new ATOM 0 HA ALA A 12 0.574 -0.363 -4.260 1.00 40.23 H new ATOM 0 HB1 ALA A 12 0.524 0.282 -6.648 1.00 23.21 H new ATOM 0 HB2 ALA A 12 2.110 0.608 -5.908 1.00 23.21 H new ATOM 0 HB3 ALA A 12 1.894 -0.810 -6.962 1.00 23.21 H new ATOM 209 N ILE A 13 0.468 -3.270 -5.699 1.00 23.04 N ATOM 210 CA ILE A 13 -0.413 -4.363 -6.090 1.00 74.42 C ATOM 211 C ILE A 13 -1.523 -4.569 -5.065 1.00 20.35 C ATOM 212 O ILE A 13 -2.683 -4.773 -5.423 1.00 41.44 O ATOM 213 CB ILE A 13 0.365 -5.681 -6.259 1.00 75.24 C ATOM 214 CG1 ILE A 13 0.896 -5.805 -7.690 1.00 11.14 C ATOM 215 CG2 ILE A 13 -0.522 -6.868 -5.913 1.00 61.33 C ATOM 216 CD1 ILE A 13 -0.012 -6.597 -8.605 1.00 13.21 C ATOM 0 H ILE A 13 1.458 -3.514 -5.674 1.00 23.04 H new ATOM 0 HA ILE A 13 -0.853 -4.085 -7.048 1.00 74.42 H new ATOM 0 HB ILE A 13 1.214 -5.675 -5.575 1.00 75.24 H new ATOM 0 HG12 ILE A 13 1.035 -4.807 -8.105 1.00 11.14 H new ATOM 0 HG13 ILE A 13 1.877 -6.280 -7.665 1.00 11.14 H new ATOM 0 HG21 ILE A 13 0.042 -7.792 -6.037 1.00 61.33 H new ATOM 0 HG22 ILE A 13 -0.856 -6.783 -4.879 1.00 61.33 H new ATOM 0 HG23 ILE A 13 -1.388 -6.880 -6.574 1.00 61.33 H new ATOM 0 HD11 ILE A 13 0.427 -6.644 -9.602 1.00 13.21 H new ATOM 0 HD12 ILE A 13 -0.132 -7.607 -8.213 1.00 13.21 H new ATOM 0 HD13 ILE A 13 -0.986 -6.111 -8.660 1.00 13.21 H new ATOM 228 N GLN A 14 -1.159 -4.512 -3.788 1.00 23.34 N ATOM 229 CA GLN A 14 -2.124 -4.693 -2.710 1.00 10.35 C ATOM 230 C GLN A 14 -2.477 -3.355 -2.066 1.00 24.51 C ATOM 231 O GLN A 14 -3.576 -3.178 -1.540 1.00 62.11 O ATOM 232 CB GLN A 14 -1.569 -5.650 -1.653 1.00 42.24 C ATOM 233 CG GLN A 14 -0.780 -4.953 -0.557 1.00 65.21 C ATOM 234 CD GLN A 14 0.014 -5.923 0.297 1.00 34.02 C ATOM 235 OE1 GLN A 14 -0.327 -6.173 1.453 1.00 15.02 O ATOM 236 NE2 GLN A 14 1.080 -6.475 -0.270 1.00 4.03 N ATOM 0 H GLN A 14 -0.203 -4.342 -3.475 1.00 23.34 H new ATOM 0 HA GLN A 14 -3.031 -5.122 -3.137 1.00 10.35 H new ATOM 0 HB2 GLN A 14 -2.396 -6.199 -1.202 1.00 42.24 H new ATOM 0 HB3 GLN A 14 -0.928 -6.384 -2.140 1.00 42.24 H new ATOM 0 HG2 GLN A 14 -0.100 -4.230 -1.008 1.00 65.21 H new ATOM 0 HG3 GLN A 14 -1.465 -4.392 0.078 1.00 65.21 H new ATOM 0 HE21 GLN A 14 1.326 -6.239 -1.231 1.00 4.03 H new ATOM 0 HE22 GLN A 14 1.653 -7.135 0.256 1.00 4.03 H new ATOM 245 N HIS A 15 -1.537 -2.416 -2.112 1.00 10.31 N ATOM 246 CA HIS A 15 -1.749 -1.094 -1.534 1.00 20.31 C ATOM 247 C HIS A 15 -2.339 -0.137 -2.565 1.00 64.34 C ATOM 248 O HIS A 15 -2.711 0.990 -2.240 1.00 43.35 O ATOM 249 CB HIS A 15 -0.433 -0.533 -0.995 1.00 42.30 C ATOM 250 CG HIS A 15 0.027 -1.194 0.268 1.00 43.43 C ATOM 251 ND1 HIS A 15 -0.717 -1.202 1.429 1.00 73.22 N ATOM 252 CD2 HIS A 15 1.164 -1.875 0.547 1.00 13.53 C ATOM 253 CE1 HIS A 15 -0.058 -1.856 2.368 1.00 33.10 C ATOM 254 NE2 HIS A 15 1.086 -2.275 1.859 1.00 41.40 N ATOM 0 H HIS A 15 -0.622 -2.546 -2.543 1.00 10.31 H new ATOM 0 HA HIS A 15 -2.457 -1.194 -0.711 1.00 20.31 H new ATOM 0 HB2 HIS A 15 0.339 -0.645 -1.756 1.00 42.30 H new ATOM 0 HB3 HIS A 15 -0.550 0.536 -0.814 1.00 42.30 H new ATOM 0 HD2 HIS A 15 1.979 -2.068 -0.134 1.00 13.53 H new ATOM 0 HE1 HIS A 15 -0.397 -2.020 3.380 1.00 33.10 H new ATOM 0 HE2 HIS A 15 1.797 -2.809 2.359 1.00 41.40 H new ATOM 263 N ILE A 16 -2.420 -0.595 -3.811 1.00 21.42 N ATOM 264 CA ILE A 16 -2.964 0.220 -4.889 1.00 75.31 C ATOM 265 C ILE A 16 -3.828 -0.616 -5.828 1.00 72.21 C ATOM 266 O ILE A 16 -3.445 -1.715 -6.227 1.00 42.15 O ATOM 267 CB ILE A 16 -1.846 0.895 -5.704 1.00 64.33 C ATOM 268 CG1 ILE A 16 -1.547 2.288 -5.146 1.00 72.52 C ATOM 269 CG2 ILE A 16 -2.237 0.979 -7.172 1.00 52.43 C ATOM 270 CD1 ILE A 16 -0.357 2.957 -5.797 1.00 11.23 C ATOM 0 H ILE A 16 -2.116 -1.525 -4.097 1.00 21.42 H new ATOM 0 HA ILE A 16 -3.578 0.990 -4.423 1.00 75.31 H new ATOM 0 HB ILE A 16 -0.943 0.291 -5.623 1.00 64.33 H new ATOM 0 HG12 ILE A 16 -2.426 2.920 -5.278 1.00 72.52 H new ATOM 0 HG13 ILE A 16 -1.368 2.210 -4.074 1.00 72.52 H new ATOM 0 HG21 ILE A 16 -1.436 1.459 -7.735 1.00 52.43 H new ATOM 0 HG22 ILE A 16 -2.404 -0.025 -7.562 1.00 52.43 H new ATOM 0 HG23 ILE A 16 -3.151 1.564 -7.272 1.00 52.43 H new ATOM 0 HD11 ILE A 16 -0.204 3.940 -5.352 1.00 11.23 H new ATOM 0 HD12 ILE A 16 0.533 2.347 -5.643 1.00 11.23 H new ATOM 0 HD13 ILE A 16 -0.541 3.067 -6.866 1.00 11.23 H new ATOM 282 N SER A 17 -4.997 -0.087 -6.177 1.00 63.12 N ATOM 283 CA SER A 17 -5.917 -0.785 -7.067 1.00 65.45 C ATOM 284 C SER A 17 -7.078 0.120 -7.466 1.00 42.15 C ATOM 285 O SER A 17 -7.987 0.371 -6.674 1.00 31.23 O ATOM 286 CB SER A 17 -6.451 -2.051 -6.394 1.00 2.41 C ATOM 287 OG SER A 17 -7.465 -1.740 -5.454 1.00 2.40 O ATOM 0 H SER A 17 -5.329 0.823 -5.857 1.00 63.12 H new ATOM 0 HA SER A 17 -5.370 -1.064 -7.967 1.00 65.45 H new ATOM 0 HB2 SER A 17 -6.847 -2.729 -7.150 1.00 2.41 H new ATOM 0 HB3 SER A 17 -5.635 -2.573 -5.894 1.00 2.41 H new ATOM 0 HG SER A 17 -7.539 -0.767 -5.363 1.00 2.40 H new ATOM 293 N LEU A 18 -7.041 0.608 -8.702 1.00 42.31 N ATOM 294 CA LEU A 18 -8.090 1.487 -9.209 1.00 63.02 C ATOM 295 C LEU A 18 -9.466 1.006 -8.761 1.00 14.31 C ATOM 296 O LEU A 18 -10.240 1.764 -8.178 1.00 74.12 O ATOM 297 CB LEU A 18 -8.032 1.554 -10.736 1.00 14.11 C ATOM 298 CG LEU A 18 -6.650 1.374 -11.364 1.00 10.25 C ATOM 299 CD1 LEU A 18 -6.691 1.700 -12.849 1.00 0.42 C ATOM 300 CD2 LEU A 18 -5.623 2.244 -10.653 1.00 55.10 C ATOM 0 H LEU A 18 -6.297 0.410 -9.371 1.00 42.31 H new ATOM 0 HA LEU A 18 -7.924 2.484 -8.801 1.00 63.02 H new ATOM 0 HB2 LEU A 18 -8.694 0.788 -11.139 1.00 14.11 H new ATOM 0 HB3 LEU A 18 -8.430 2.518 -11.053 1.00 14.11 H new ATOM 0 HG LEU A 18 -6.354 0.331 -11.250 1.00 10.25 H new ATOM 0 HD11 LEU A 18 -5.698 1.566 -13.278 1.00 0.42 H new ATOM 0 HD12 LEU A 18 -7.395 1.034 -13.348 1.00 0.42 H new ATOM 0 HD13 LEU A 18 -7.009 2.733 -12.986 1.00 0.42 H new ATOM 0 HD21 LEU A 18 -4.645 2.103 -11.114 1.00 55.10 H new ATOM 0 HD22 LEU A 18 -5.915 3.291 -10.734 1.00 55.10 H new ATOM 0 HD23 LEU A 18 -5.573 1.962 -9.601 1.00 55.10 H new ATOM 312 N ASN A 19 -9.763 -0.260 -9.036 1.00 21.43 N ATOM 313 CA ASN A 19 -11.046 -0.844 -8.660 1.00 14.30 C ATOM 314 C ASN A 19 -10.855 -1.982 -7.663 1.00 41.40 C ATOM 315 O ASN A 19 -10.744 -3.151 -8.032 1.00 34.43 O ATOM 316 CB ASN A 19 -11.781 -1.354 -9.900 1.00 63.34 C ATOM 317 CG ASN A 19 -12.396 -0.231 -10.712 1.00 74.20 C ATOM 318 OD1 ASN A 19 -13.572 -0.284 -11.075 1.00 4.24 O ATOM 319 ND2 ASN A 19 -11.603 0.792 -11.003 1.00 44.22 N ATOM 0 H ASN A 19 -9.133 -0.901 -9.518 1.00 21.43 H new ATOM 0 HA ASN A 19 -11.645 -0.067 -8.185 1.00 14.30 H new ATOM 0 HB2 ASN A 19 -11.086 -1.913 -10.527 1.00 63.34 H new ATOM 0 HB3 ASN A 19 -12.564 -2.048 -9.595 1.00 63.34 H new ATOM 0 HD21 ASN A 19 -11.961 1.576 -11.548 1.00 44.22 H new ATOM 0 HD22 ASN A 19 -10.635 0.794 -10.682 1.00 44.22 H new ATOM 326 N PRO A 20 -10.815 -1.634 -6.368 1.00 62.25 N ATOM 327 CA PRO A 20 -10.638 -2.613 -5.291 1.00 2.25 C ATOM 328 C PRO A 20 -11.861 -3.507 -5.114 1.00 50.04 C ATOM 329 O PRO A 20 -12.914 -3.075 -4.644 1.00 63.21 O ATOM 330 CB PRO A 20 -10.430 -1.740 -4.051 1.00 0.15 C ATOM 331 CG PRO A 20 -11.107 -0.453 -4.374 1.00 4.31 C ATOM 332 CD PRO A 20 -10.940 -0.259 -5.856 1.00 10.23 C ATOM 0 HA PRO A 20 -9.813 -3.297 -5.492 1.00 2.25 H new ATOM 0 HB2 PRO A 20 -10.863 -2.203 -3.164 1.00 0.15 H new ATOM 0 HB3 PRO A 20 -9.370 -1.589 -3.847 1.00 0.15 H new ATOM 0 HG2 PRO A 20 -12.162 -0.487 -4.101 1.00 4.31 H new ATOM 0 HG3 PRO A 20 -10.661 0.373 -3.819 1.00 4.31 H new ATOM 0 HD2 PRO A 20 -11.796 0.256 -6.293 1.00 10.23 H new ATOM 0 HD3 PRO A 20 -10.057 0.337 -6.086 1.00 10.23 H new ATOM 340 N PRO A 21 -11.720 -4.785 -5.497 1.00 73.30 N ATOM 341 CA PRO A 21 -12.803 -5.767 -5.390 1.00 31.25 C ATOM 342 C PRO A 21 -13.112 -6.133 -3.942 1.00 41.21 C ATOM 343 O PRO A 21 -12.737 -5.413 -3.016 1.00 52.13 O ATOM 344 CB PRO A 21 -12.256 -6.982 -6.143 1.00 22.33 C ATOM 345 CG PRO A 21 -10.775 -6.846 -6.057 1.00 23.22 C ATOM 346 CD PRO A 21 -10.494 -5.369 -6.065 1.00 62.45 C ATOM 0 HA PRO A 21 -13.741 -5.385 -5.793 1.00 31.25 H new ATOM 0 HB2 PRO A 21 -12.595 -7.914 -5.690 1.00 22.33 H new ATOM 0 HB3 PRO A 21 -12.593 -6.990 -7.179 1.00 22.33 H new ATOM 0 HG2 PRO A 21 -10.392 -7.311 -5.148 1.00 23.22 H new ATOM 0 HG3 PRO A 21 -10.288 -7.340 -6.898 1.00 23.22 H new ATOM 0 HD2 PRO A 21 -9.617 -5.124 -5.466 1.00 62.45 H new ATOM 0 HD3 PRO A 21 -10.304 -5.002 -7.073 1.00 62.45 H new ATOM 354 N ARG A 22 -13.796 -7.256 -3.753 1.00 23.43 N ATOM 355 CA ARG A 22 -14.155 -7.717 -2.418 1.00 13.33 C ATOM 356 C ARG A 22 -12.908 -8.053 -1.604 1.00 74.00 C ATOM 357 O ARG A 22 -12.298 -9.106 -1.790 1.00 62.44 O ATOM 358 CB ARG A 22 -15.066 -8.944 -2.505 1.00 41.12 C ATOM 359 CG ARG A 22 -16.462 -8.630 -3.016 1.00 21.24 C ATOM 360 CD ARG A 22 -17.293 -7.914 -1.963 1.00 33.03 C ATOM 361 NE ARG A 22 -17.980 -8.851 -1.077 1.00 72.44 N ATOM 362 CZ ARG A 22 -18.517 -8.502 0.087 1.00 64.51 C ATOM 363 NH1 ARG A 22 -18.447 -7.246 0.503 1.00 3.23 N ATOM 364 NH2 ARG A 22 -19.125 -9.413 0.837 1.00 75.22 N ATOM 0 H ARG A 22 -14.113 -7.864 -4.508 1.00 23.43 H new ATOM 0 HA ARG A 22 -14.690 -6.911 -1.916 1.00 13.33 H new ATOM 0 HB2 ARG A 22 -14.605 -9.682 -3.161 1.00 41.12 H new ATOM 0 HB3 ARG A 22 -15.143 -9.399 -1.518 1.00 41.12 H new ATOM 0 HG2 ARG A 22 -16.392 -8.010 -3.910 1.00 21.24 H new ATOM 0 HG3 ARG A 22 -16.960 -9.555 -3.308 1.00 21.24 H new ATOM 0 HD2 ARG A 22 -16.648 -7.264 -1.373 1.00 33.03 H new ATOM 0 HD3 ARG A 22 -18.027 -7.275 -2.454 1.00 33.03 H new ATOM 0 HE ARG A 22 -18.051 -9.826 -1.368 1.00 72.44 H new ATOM 0 HH11 ARG A 22 -17.980 -6.544 -0.071 1.00 3.23 H new ATOM 0 HH12 ARG A 22 -18.860 -6.981 1.397 1.00 3.23 H new ATOM 0 HH21 ARG A 22 -19.180 -10.381 0.520 1.00 75.22 H new ATOM 0 HH22 ARG A 22 -19.537 -9.145 1.731 1.00 75.22 H new ATOM 378 N CYS A 23 -12.536 -7.151 -0.703 1.00 52.51 N ATOM 379 CA CYS A 23 -11.362 -7.350 0.139 1.00 44.03 C ATOM 380 C CYS A 23 -11.149 -8.832 0.433 1.00 45.33 C ATOM 381 O CYS A 23 -10.016 -9.318 0.443 1.00 34.53 O ATOM 382 CB CYS A 23 -11.510 -6.575 1.449 1.00 54.25 C ATOM 383 SG CYS A 23 -9.934 -5.981 2.144 1.00 34.13 S ATOM 0 H CYS A 23 -13.030 -6.274 -0.537 1.00 52.51 H new ATOM 0 HA CYS A 23 -10.492 -6.975 -0.400 1.00 44.03 H new ATOM 0 HB2 CYS A 23 -12.166 -5.721 1.281 1.00 54.25 H new ATOM 0 HB3 CYS A 23 -12.001 -7.214 2.183 1.00 54.25 H new ATOM 388 N THR A 24 -12.244 -9.546 0.671 1.00 22.04 N ATOM 389 CA THR A 24 -12.177 -10.972 0.967 1.00 74.14 C ATOM 390 C THR A 24 -11.342 -11.710 -0.072 1.00 4.41 C ATOM 391 O THR A 24 -10.412 -12.440 0.271 1.00 25.01 O ATOM 392 CB THR A 24 -13.583 -11.600 1.020 1.00 64.34 C ATOM 393 OG1 THR A 24 -14.221 -11.272 2.259 1.00 42.41 O ATOM 394 CG2 THR A 24 -13.505 -13.112 0.869 1.00 70.23 C ATOM 0 H THR A 24 -13.188 -9.160 0.665 1.00 22.04 H new ATOM 0 HA THR A 24 -11.705 -11.071 1.945 1.00 74.14 H new ATOM 0 HB THR A 24 -14.168 -11.197 0.194 1.00 64.34 H new ATOM 0 HG1 THR A 24 -15.115 -11.674 2.283 1.00 42.41 H new ATOM 0 HG21 THR A 24 -14.509 -13.534 0.909 1.00 70.23 H new ATOM 0 HG22 THR A 24 -13.046 -13.359 -0.088 1.00 70.23 H new ATOM 0 HG23 THR A 24 -12.904 -13.528 1.678 1.00 70.23 H new ATOM 402 N ILE A 25 -11.678 -11.516 -1.342 1.00 53.45 N ATOM 403 CA ILE A 25 -10.956 -12.161 -2.431 1.00 31.22 C ATOM 404 C ILE A 25 -9.769 -11.318 -2.881 1.00 43.44 C ATOM 405 O ILE A 25 -8.699 -11.845 -3.185 1.00 63.50 O ATOM 406 CB ILE A 25 -11.875 -12.421 -3.640 1.00 43.04 C ATOM 407 CG1 ILE A 25 -13.275 -12.817 -3.168 1.00 1.10 C ATOM 408 CG2 ILE A 25 -11.285 -13.502 -4.531 1.00 64.53 C ATOM 409 CD1 ILE A 25 -14.311 -12.801 -4.270 1.00 53.22 C ATOM 0 H ILE A 25 -12.447 -10.917 -1.643 1.00 53.45 H new ATOM 0 HA ILE A 25 -10.595 -13.115 -2.047 1.00 31.22 H new ATOM 0 HB ILE A 25 -11.954 -11.502 -4.221 1.00 43.04 H new ATOM 0 HG12 ILE A 25 -13.234 -13.816 -2.733 1.00 1.10 H new ATOM 0 HG13 ILE A 25 -13.588 -12.137 -2.376 1.00 1.10 H new ATOM 0 HG21 ILE A 25 -11.946 -13.674 -5.381 1.00 64.53 H new ATOM 0 HG22 ILE A 25 -10.307 -13.183 -4.891 1.00 64.53 H new ATOM 0 HG23 ILE A 25 -11.179 -14.425 -3.961 1.00 64.53 H new ATOM 0 HD11 ILE A 25 -15.279 -13.092 -3.863 1.00 53.22 H new ATOM 0 HD12 ILE A 25 -14.380 -11.797 -4.690 1.00 53.22 H new ATOM 0 HD13 ILE A 25 -14.021 -13.502 -5.053 1.00 53.22 H new ATOM 421 N ALA A 26 -9.964 -10.004 -2.920 1.00 33.10 N ATOM 422 CA ALA A 26 -8.908 -9.086 -3.328 1.00 73.42 C ATOM 423 C ALA A 26 -7.561 -9.504 -2.748 1.00 34.04 C ATOM 424 O ALA A 26 -6.524 -9.348 -3.389 1.00 4.50 O ATOM 425 CB ALA A 26 -9.250 -7.665 -2.903 1.00 63.33 C ATOM 0 H ALA A 26 -10.844 -9.551 -2.674 1.00 33.10 H new ATOM 0 HA ALA A 26 -8.832 -9.120 -4.415 1.00 73.42 H new ATOM 0 HB1 ALA A 26 -8.453 -6.990 -3.214 1.00 63.33 H new ATOM 0 HB2 ALA A 26 -10.186 -7.361 -3.371 1.00 63.33 H new ATOM 0 HB3 ALA A 26 -9.357 -7.625 -1.819 1.00 63.33 H new ATOM 431 N MET A 27 -7.588 -10.037 -1.531 1.00 2.33 N ATOM 432 CA MET A 27 -6.368 -10.478 -0.864 1.00 52.22 C ATOM 433 C MET A 27 -6.005 -11.900 -1.280 1.00 15.42 C ATOM 434 O MET A 27 -5.367 -12.634 -0.526 1.00 14.24 O ATOM 435 CB MET A 27 -6.536 -10.406 0.655 1.00 72.22 C ATOM 436 CG MET A 27 -7.692 -11.245 1.178 1.00 44.42 C ATOM 437 SD MET A 27 -7.209 -12.944 1.538 1.00 72.52 S ATOM 438 CE MET A 27 -5.983 -12.685 2.818 1.00 30.20 C ATOM 0 H MET A 27 -8.440 -10.174 -0.987 1.00 2.33 H new ATOM 0 HA MET A 27 -5.559 -9.812 -1.164 1.00 52.22 H new ATOM 0 HB2 MET A 27 -5.613 -10.737 1.131 1.00 72.22 H new ATOM 0 HB3 MET A 27 -6.690 -9.367 0.947 1.00 72.22 H new ATOM 0 HG2 MET A 27 -8.090 -10.785 2.083 1.00 44.42 H new ATOM 0 HG3 MET A 27 -8.496 -11.248 0.442 1.00 44.42 H new ATOM 0 HE1 MET A 27 -5.127 -13.336 2.639 1.00 30.20 H new ATOM 0 HE2 MET A 27 -5.657 -11.645 2.805 1.00 30.20 H new ATOM 0 HE3 MET A 27 -6.418 -12.917 3.790 1.00 30.20 H new ATOM 448 N ARG A 28 -6.415 -12.282 -2.485 1.00 62.12 N ATOM 449 CA ARG A 28 -6.134 -13.617 -3.000 1.00 75.25 C ATOM 450 C ARG A 28 -4.780 -13.654 -3.702 1.00 71.24 C ATOM 451 O ARG A 28 -3.922 -14.473 -3.374 1.00 31.04 O ATOM 452 CB ARG A 28 -7.235 -14.055 -3.969 1.00 12.22 C ATOM 453 CG ARG A 28 -7.280 -13.238 -5.249 1.00 62.53 C ATOM 454 CD ARG A 28 -8.511 -13.570 -6.079 1.00 11.12 C ATOM 455 NE ARG A 28 -8.268 -13.406 -7.509 1.00 21.11 N ATOM 456 CZ ARG A 28 -8.962 -14.038 -8.449 1.00 70.11 C ATOM 457 NH1 ARG A 28 -9.937 -14.870 -8.112 1.00 13.21 N ATOM 458 NH2 ARG A 28 -8.681 -13.837 -9.731 1.00 14.24 N ATOM 0 H ARG A 28 -6.943 -11.686 -3.123 1.00 62.12 H new ATOM 0 HA ARG A 28 -6.106 -14.307 -2.156 1.00 75.25 H new ATOM 0 HB2 ARG A 28 -7.087 -15.105 -4.223 1.00 12.22 H new ATOM 0 HB3 ARG A 28 -8.200 -13.981 -3.467 1.00 12.22 H new ATOM 0 HG2 ARG A 28 -7.281 -12.176 -5.004 1.00 62.53 H new ATOM 0 HG3 ARG A 28 -6.382 -13.429 -5.836 1.00 62.53 H new ATOM 0 HD2 ARG A 28 -8.817 -14.597 -5.879 1.00 11.12 H new ATOM 0 HD3 ARG A 28 -9.337 -12.927 -5.776 1.00 11.12 H new ATOM 0 HE ARG A 28 -7.525 -12.772 -7.802 1.00 21.11 H new ATOM 0 HH11 ARG A 28 -10.157 -15.027 -7.128 1.00 13.21 H new ATOM 0 HH12 ARG A 28 -10.468 -15.354 -8.836 1.00 13.21 H new ATOM 0 HH21 ARG A 28 -7.932 -13.197 -9.995 1.00 14.24 H new ATOM 0 HH22 ARG A 28 -9.214 -14.323 -10.452 1.00 14.24 H new ATOM 472 N ALA A 29 -4.596 -12.763 -4.671 1.00 53.02 N ATOM 473 CA ALA A 29 -3.347 -12.693 -5.418 1.00 54.12 C ATOM 474 C ALA A 29 -2.242 -12.054 -4.583 1.00 24.45 C ATOM 475 O ALA A 29 -1.062 -12.355 -4.764 1.00 10.02 O ATOM 476 CB ALA A 29 -3.548 -11.917 -6.711 1.00 43.24 C ATOM 0 H ALA A 29 -5.297 -12.079 -4.957 1.00 53.02 H new ATOM 0 HA ALA A 29 -3.041 -13.711 -5.661 1.00 54.12 H new ATOM 0 HB1 ALA A 29 -2.607 -11.873 -7.259 1.00 43.24 H new ATOM 0 HB2 ALA A 29 -4.300 -12.416 -7.322 1.00 43.24 H new ATOM 0 HB3 ALA A 29 -3.881 -10.905 -6.480 1.00 43.24 H new ATOM 482 N ILE A 30 -2.632 -11.173 -3.669 1.00 34.35 N ATOM 483 CA ILE A 30 -1.675 -10.493 -2.806 1.00 0.21 C ATOM 484 C ILE A 30 -1.100 -11.447 -1.763 1.00 70.02 C ATOM 485 O ILE A 30 0.049 -11.874 -1.865 1.00 15.11 O ATOM 486 CB ILE A 30 -2.319 -9.293 -2.086 1.00 2.00 C ATOM 487 CG1 ILE A 30 -2.573 -8.155 -3.077 1.00 11.30 C ATOM 488 CG2 ILE A 30 -1.430 -8.821 -0.945 1.00 41.44 C ATOM 489 CD1 ILE A 30 -3.328 -8.587 -4.314 1.00 32.11 C ATOM 0 H ILE A 30 -3.605 -10.913 -3.507 1.00 34.35 H new ATOM 0 HA ILE A 30 -0.872 -10.133 -3.449 1.00 0.21 H new ATOM 0 HB ILE A 30 -3.276 -9.607 -1.668 1.00 2.00 H new ATOM 0 HG12 ILE A 30 -3.134 -7.366 -2.576 1.00 11.30 H new ATOM 0 HG13 ILE A 30 -1.617 -7.725 -3.376 1.00 11.30 H new ATOM 0 HG21 ILE A 30 -1.898 -7.973 -0.446 1.00 41.44 H new ATOM 0 HG22 ILE A 30 -1.294 -9.633 -0.230 1.00 41.44 H new ATOM 0 HG23 ILE A 30 -0.460 -8.519 -1.340 1.00 41.44 H new ATOM 0 HD11 ILE A 30 -3.472 -7.729 -4.971 1.00 32.11 H new ATOM 0 HD12 ILE A 30 -2.758 -9.354 -4.839 1.00 32.11 H new ATOM 0 HD13 ILE A 30 -4.299 -8.990 -4.026 1.00 32.11 H new ATOM 501 N ASN A 31 -1.909 -11.779 -0.763 1.00 14.34 N ATOM 502 CA ASN A 31 -1.482 -12.683 0.298 1.00 21.34 C ATOM 503 C ASN A 31 -0.772 -13.903 -0.281 1.00 24.22 C ATOM 504 O ASN A 31 -0.020 -14.585 0.415 1.00 32.41 O ATOM 505 CB ASN A 31 -2.685 -13.129 1.133 1.00 41.32 C ATOM 506 CG ASN A 31 -2.985 -12.170 2.271 1.00 61.53 C ATOM 507 OD1 ASN A 31 -2.711 -12.465 3.434 1.00 62.53 O ATOM 508 ND2 ASN A 31 -3.551 -11.017 1.937 1.00 12.15 N ATOM 0 H ASN A 31 -2.864 -11.435 -0.665 1.00 14.34 H new ATOM 0 HA ASN A 31 -0.783 -12.146 0.939 1.00 21.34 H new ATOM 0 HB2 ASN A 31 -3.561 -13.210 0.489 1.00 41.32 H new ATOM 0 HB3 ASN A 31 -2.494 -14.122 1.539 1.00 41.32 H new ATOM 0 HD21 ASN A 31 -3.777 -10.332 2.658 1.00 12.15 H new ATOM 0 HD22 ASN A 31 -3.760 -10.816 0.959 1.00 12.15 H new ATOM 515 N ASN A 32 -1.015 -14.171 -1.560 1.00 71.40 N ATOM 516 CA ASN A 32 -0.400 -15.308 -2.233 1.00 63.30 C ATOM 517 C ASN A 32 1.121 -15.188 -2.225 1.00 22.24 C ATOM 518 O ASN A 32 1.831 -16.122 -2.597 1.00 71.53 O ATOM 519 CB ASN A 32 -0.906 -15.411 -3.673 1.00 52.23 C ATOM 520 CG ASN A 32 -2.146 -16.276 -3.791 1.00 4.32 C ATOM 521 OD1 ASN A 32 -2.582 -16.889 -2.817 1.00 35.44 O ATOM 522 ND2 ASN A 32 -2.720 -16.329 -4.988 1.00 5.44 N ATOM 0 H ASN A 32 -1.634 -13.616 -2.151 1.00 71.40 H new ATOM 0 HA ASN A 32 -0.679 -16.212 -1.691 1.00 63.30 H new ATOM 0 HB2 ASN A 32 -1.126 -14.412 -4.050 1.00 52.23 H new ATOM 0 HB3 ASN A 32 -0.118 -15.823 -4.303 1.00 52.23 H new ATOM 0 HD21 ASN A 32 -3.557 -16.895 -5.128 1.00 5.44 H new ATOM 0 HD22 ASN A 32 -2.324 -15.804 -5.767 1.00 5.44 H new ATOM 529 N TYR A 33 1.615 -14.032 -1.796 1.00 3.01 N ATOM 530 CA TYR A 33 3.051 -13.788 -1.739 1.00 43.34 C ATOM 531 C TYR A 33 3.693 -14.571 -0.598 1.00 52.01 C ATOM 532 O TYR A 33 4.899 -14.820 -0.602 1.00 34.40 O ATOM 533 CB TYR A 33 3.329 -12.293 -1.566 1.00 64.34 C ATOM 534 CG TYR A 33 2.704 -11.700 -0.324 1.00 23.31 C ATOM 535 CD1 TYR A 33 3.053 -12.160 0.940 1.00 54.42 C ATOM 536 CD2 TYR A 33 1.765 -10.681 -0.414 1.00 55.33 C ATOM 537 CE1 TYR A 33 2.484 -11.621 2.077 1.00 33.43 C ATOM 538 CE2 TYR A 33 1.191 -10.135 0.718 1.00 41.24 C ATOM 539 CZ TYR A 33 1.554 -10.609 1.961 1.00 22.35 C ATOM 540 OH TYR A 33 0.986 -10.070 3.092 1.00 15.22 O ATOM 0 H TYR A 33 1.042 -13.249 -1.482 1.00 3.01 H new ATOM 0 HA TYR A 33 3.488 -14.126 -2.678 1.00 43.34 H new ATOM 0 HB2 TYR A 33 4.407 -12.134 -1.531 1.00 64.34 H new ATOM 0 HB3 TYR A 33 2.956 -11.759 -2.440 1.00 64.34 H new ATOM 0 HD1 TYR A 33 3.781 -12.952 1.035 1.00 54.42 H new ATOM 0 HD2 TYR A 33 1.478 -10.309 -1.386 1.00 55.33 H new ATOM 0 HE1 TYR A 33 2.766 -11.990 3.052 1.00 33.43 H new ATOM 0 HE2 TYR A 33 0.463 -9.342 0.630 1.00 41.24 H new ATOM 0 HH TYR A 33 0.352 -9.367 2.837 1.00 15.22 H new ATOM 550 N ARG A 34 2.877 -14.957 0.378 1.00 44.34 N ATOM 551 CA ARG A 34 3.363 -15.711 1.527 1.00 44.44 C ATOM 552 C ARG A 34 2.287 -16.657 2.051 1.00 41.23 C ATOM 553 O ARG A 34 1.190 -16.733 1.497 1.00 42.11 O ATOM 554 CB ARG A 34 3.807 -14.759 2.639 1.00 51.21 C ATOM 555 CG ARG A 34 5.225 -14.240 2.468 1.00 64.11 C ATOM 556 CD ARG A 34 6.244 -15.194 3.073 1.00 32.23 C ATOM 557 NE ARG A 34 6.407 -16.402 2.269 1.00 23.44 N ATOM 558 CZ ARG A 34 7.224 -16.486 1.226 1.00 74.44 C ATOM 559 NH1 ARG A 34 7.947 -15.437 0.860 1.00 4.32 N ATOM 560 NH2 ARG A 34 7.317 -17.620 0.544 1.00 24.51 N ATOM 0 H ARG A 34 1.876 -14.760 0.396 1.00 44.34 H new ATOM 0 HA ARG A 34 4.218 -16.305 1.204 1.00 44.44 H new ATOM 0 HB2 ARG A 34 3.121 -13.912 2.676 1.00 51.21 H new ATOM 0 HB3 ARG A 34 3.731 -15.273 3.597 1.00 51.21 H new ATOM 0 HG2 ARG A 34 5.438 -14.103 1.408 1.00 64.11 H new ATOM 0 HG3 ARG A 34 5.315 -13.262 2.941 1.00 64.11 H new ATOM 0 HD2 ARG A 34 7.205 -14.687 3.165 1.00 32.23 H new ATOM 0 HD3 ARG A 34 5.930 -15.468 4.080 1.00 32.23 H new ATOM 0 HE ARG A 34 5.863 -17.227 2.523 1.00 23.44 H new ATOM 0 HH11 ARG A 34 7.876 -14.562 1.380 1.00 4.32 H new ATOM 0 HH12 ARG A 34 8.574 -15.504 0.058 1.00 4.32 H new ATOM 0 HH21 ARG A 34 6.760 -18.429 0.821 1.00 24.51 H new ATOM 0 HH22 ARG A 34 7.945 -17.683 -0.257 1.00 24.51 H new ATOM 574 N TRP A 35 2.609 -17.375 3.121 1.00 72.11 N ATOM 575 CA TRP A 35 1.670 -18.317 3.720 1.00 73.14 C ATOM 576 C TRP A 35 0.989 -17.705 4.939 1.00 63.42 C ATOM 577 O TRP A 35 0.198 -18.364 5.615 1.00 62.41 O ATOM 578 CB TRP A 35 2.390 -19.607 4.115 1.00 43.41 C ATOM 579 CG TRP A 35 1.470 -20.780 4.264 1.00 14.44 C ATOM 580 CD1 TRP A 35 0.917 -21.246 5.423 1.00 52.33 C ATOM 581 CD2 TRP A 35 0.998 -21.637 3.219 1.00 22.45 C ATOM 582 NE1 TRP A 35 0.129 -22.340 5.161 1.00 3.22 N ATOM 583 CE2 TRP A 35 0.161 -22.600 3.816 1.00 24.23 C ATOM 584 CE3 TRP A 35 1.199 -21.684 1.837 1.00 12.22 C ATOM 585 CZ2 TRP A 35 -0.471 -23.597 3.078 1.00 2.22 C ATOM 586 CZ3 TRP A 35 0.570 -22.674 1.106 1.00 41.42 C ATOM 587 CH2 TRP A 35 -0.256 -23.619 1.727 1.00 14.12 C ATOM 0 H TRP A 35 3.513 -17.323 3.591 1.00 72.11 H new ATOM 0 HA TRP A 35 0.905 -18.550 2.979 1.00 73.14 H new ATOM 0 HB2 TRP A 35 3.143 -19.839 3.362 1.00 43.41 H new ATOM 0 HB3 TRP A 35 2.918 -19.447 5.055 1.00 43.41 H new ATOM 0 HD1 TRP A 35 1.076 -20.817 6.401 1.00 52.33 H new ATOM 0 HE1 TRP A 35 -0.395 -22.873 5.855 1.00 3.22 H new ATOM 0 HE3 TRP A 35 1.834 -20.960 1.349 1.00 12.22 H new ATOM 0 HZ2 TRP A 35 -1.108 -24.327 3.555 1.00 2.22 H new ATOM 0 HZ3 TRP A 35 0.718 -22.720 0.037 1.00 41.42 H new ATOM 0 HH2 TRP A 35 -0.733 -24.380 1.128 1.00 14.12 H new ATOM 598 N ARG A 36 1.302 -16.444 5.215 1.00 33.43 N ATOM 599 CA ARG A 36 0.720 -15.745 6.355 1.00 41.41 C ATOM 600 C ARG A 36 -0.264 -14.675 5.893 1.00 74.44 C ATOM 601 O ARG A 36 -0.360 -14.377 4.702 1.00 62.33 O ATOM 602 CB ARG A 36 1.821 -15.106 7.205 1.00 64.22 C ATOM 603 CG ARG A 36 2.609 -16.108 8.034 1.00 35.31 C ATOM 604 CD ARG A 36 3.596 -16.886 7.178 1.00 31.02 C ATOM 605 NE ARG A 36 4.245 -17.957 7.928 1.00 24.45 N ATOM 606 CZ ARG A 36 5.255 -17.758 8.768 1.00 42.05 C ATOM 607 NH1 ARG A 36 5.729 -16.535 8.962 1.00 55.33 N ATOM 608 NH2 ARG A 36 5.795 -18.784 9.414 1.00 11.30 N ATOM 0 H ARG A 36 1.955 -15.885 4.666 1.00 33.43 H new ATOM 0 HA ARG A 36 0.180 -16.475 6.959 1.00 41.41 H new ATOM 0 HB2 ARG A 36 2.508 -14.569 6.551 1.00 64.22 H new ATOM 0 HB3 ARG A 36 1.373 -14.369 7.871 1.00 64.22 H new ATOM 0 HG2 ARG A 36 3.146 -15.585 8.825 1.00 35.31 H new ATOM 0 HG3 ARG A 36 1.922 -16.801 8.519 1.00 35.31 H new ATOM 0 HD2 ARG A 36 3.076 -17.309 6.319 1.00 31.02 H new ATOM 0 HD3 ARG A 36 4.353 -16.206 6.789 1.00 31.02 H new ATOM 0 HE ARG A 36 3.905 -18.910 7.800 1.00 24.45 H new ATOM 0 HH11 ARG A 36 5.318 -15.744 8.466 1.00 55.33 H new ATOM 0 HH12 ARG A 36 6.504 -16.385 9.607 1.00 55.33 H new ATOM 0 HH21 ARG A 36 5.435 -19.727 9.266 1.00 11.30 H new ATOM 0 HH22 ARG A 36 6.570 -18.630 10.059 1.00 11.30 H new ATOM 622 N CYS A 37 -0.996 -14.102 6.842 1.00 61.00 N ATOM 623 CA CYS A 37 -1.975 -13.066 6.533 1.00 34.23 C ATOM 624 C CYS A 37 -1.485 -11.699 6.999 1.00 11.54 C ATOM 625 O CYS A 37 -0.517 -11.596 7.753 1.00 22.32 O ATOM 626 CB CYS A 37 -3.317 -13.391 7.191 1.00 32.43 C ATOM 627 SG CYS A 37 -4.720 -12.432 6.535 1.00 63.54 S ATOM 0 H CYS A 37 -0.930 -14.337 7.832 1.00 61.00 H new ATOM 0 HA CYS A 37 -2.106 -13.036 5.451 1.00 34.23 H new ATOM 0 HB2 CYS A 37 -3.525 -14.453 7.062 1.00 32.43 H new ATOM 0 HB3 CYS A 37 -3.237 -13.210 8.263 1.00 32.43 H new ATOM 632 N LYS A 38 -2.162 -10.649 6.547 1.00 43.33 N ATOM 633 CA LYS A 38 -1.798 -9.286 6.917 1.00 35.41 C ATOM 634 C LYS A 38 -2.712 -8.760 8.019 1.00 52.32 C ATOM 635 O LYS A 38 -3.864 -9.177 8.136 1.00 63.14 O ATOM 636 CB LYS A 38 -1.873 -8.367 5.696 1.00 45.34 C ATOM 637 CG LYS A 38 -0.893 -7.207 5.748 1.00 42.11 C ATOM 638 CD LYS A 38 0.537 -7.674 5.531 1.00 12.00 C ATOM 639 CE LYS A 38 1.539 -6.582 5.874 1.00 71.24 C ATOM 640 NZ LYS A 38 1.855 -5.730 4.695 1.00 70.11 N ATOM 0 H LYS A 38 -2.966 -10.716 5.923 1.00 43.33 H new ATOM 0 HA LYS A 38 -0.775 -9.298 7.292 1.00 35.41 H new ATOM 0 HB2 LYS A 38 -1.682 -8.954 4.798 1.00 45.34 H new ATOM 0 HB3 LYS A 38 -2.886 -7.973 5.610 1.00 45.34 H new ATOM 0 HG2 LYS A 38 -1.156 -6.473 4.987 1.00 42.11 H new ATOM 0 HG3 LYS A 38 -0.971 -6.707 6.713 1.00 42.11 H new ATOM 0 HD2 LYS A 38 0.731 -8.553 6.146 1.00 12.00 H new ATOM 0 HD3 LYS A 38 0.668 -7.976 4.492 1.00 12.00 H new ATOM 0 HE2 LYS A 38 1.139 -5.960 6.675 1.00 71.24 H new ATOM 0 HE3 LYS A 38 2.456 -7.036 6.251 1.00 71.24 H new ATOM 0 HZ1 LYS A 38 2.541 -4.998 4.969 1.00 70.11 H new ATOM 0 HZ2 LYS A 38 2.261 -6.319 3.940 1.00 70.11 H new ATOM 0 HZ3 LYS A 38 0.984 -5.277 4.351 1.00 70.11 H new ATOM 654 N ASN A 39 -2.191 -7.840 8.825 1.00 0.22 N ATOM 655 CA ASN A 39 -2.962 -7.256 9.917 1.00 3.32 C ATOM 656 C ASN A 39 -3.775 -6.061 9.431 1.00 50.21 C ATOM 657 O ASN A 39 -4.668 -5.581 10.128 1.00 40.03 O ATOM 658 CB ASN A 39 -2.030 -6.825 11.052 1.00 3.12 C ATOM 659 CG ASN A 39 -0.784 -7.686 11.136 1.00 15.23 C ATOM 660 OD1 ASN A 39 0.330 -7.209 10.918 1.00 14.11 O ATOM 661 ND2 ASN A 39 -0.968 -8.963 11.453 1.00 42.24 N ATOM 0 H ASN A 39 -1.239 -7.483 8.743 1.00 0.22 H new ATOM 0 HA ASN A 39 -3.651 -8.014 10.289 1.00 3.32 H new ATOM 0 HB2 ASN A 39 -1.740 -5.785 10.905 1.00 3.12 H new ATOM 0 HB3 ASN A 39 -2.568 -6.875 11.999 1.00 3.12 H new ATOM 0 HD21 ASN A 39 -0.168 -9.591 11.524 1.00 42.24 H new ATOM 0 HD22 ASN A 39 -1.910 -9.315 11.625 1.00 42.24 H new ATOM 668 N GLN A 40 -3.459 -5.585 8.230 1.00 23.41 N ATOM 669 CA GLN A 40 -4.161 -4.446 7.650 1.00 32.14 C ATOM 670 C GLN A 40 -3.685 -4.180 6.226 1.00 25.25 C ATOM 671 O GLN A 40 -2.551 -4.500 5.871 1.00 41.34 O ATOM 672 CB GLN A 40 -3.951 -3.200 8.512 1.00 1.24 C ATOM 673 CG GLN A 40 -5.189 -2.325 8.626 1.00 10.32 C ATOM 674 CD GLN A 40 -4.865 -0.911 9.071 1.00 63.45 C ATOM 675 OE1 GLN A 40 -3.857 -0.673 9.738 1.00 23.20 O ATOM 676 NE2 GLN A 40 -5.720 0.036 8.703 1.00 63.24 N ATOM 0 H GLN A 40 -2.722 -5.971 7.640 1.00 23.41 H new ATOM 0 HA GLN A 40 -5.224 -4.684 7.619 1.00 32.14 H new ATOM 0 HB2 GLN A 40 -3.640 -3.507 9.510 1.00 1.24 H new ATOM 0 HB3 GLN A 40 -3.137 -2.610 8.092 1.00 1.24 H new ATOM 0 HG2 GLN A 40 -5.696 -2.291 7.662 1.00 10.32 H new ATOM 0 HG3 GLN A 40 -5.883 -2.775 9.335 1.00 10.32 H new ATOM 0 HE21 GLN A 40 -6.542 -0.206 8.150 1.00 63.24 H new ATOM 0 HE22 GLN A 40 -5.554 1.006 8.973 1.00 63.24 H new ATOM 685 N ASN A 41 -4.560 -3.596 5.415 1.00 41.20 N ATOM 686 CA ASN A 41 -4.229 -3.288 4.028 1.00 71.31 C ATOM 687 C ASN A 41 -5.106 -2.158 3.497 1.00 24.51 C ATOM 688 O ASN A 41 -6.267 -2.023 3.886 1.00 3.54 O ATOM 689 CB ASN A 41 -4.396 -4.533 3.154 1.00 42.10 C ATOM 690 CG ASN A 41 -3.878 -4.323 1.745 1.00 63.34 C ATOM 691 OD1 ASN A 41 -3.502 -3.212 1.368 1.00 34.50 O ATOM 692 ND2 ASN A 41 -3.854 -5.392 0.957 1.00 23.25 N ATOM 0 H ASN A 41 -5.503 -3.326 5.694 1.00 41.20 H new ATOM 0 HA ASN A 41 -3.189 -2.964 3.992 1.00 71.31 H new ATOM 0 HB2 ASN A 41 -3.867 -5.369 3.612 1.00 42.10 H new ATOM 0 HB3 ASN A 41 -5.450 -4.807 3.114 1.00 42.10 H new ATOM 0 HD21 ASN A 41 -3.515 -5.312 -0.001 1.00 23.25 H new ATOM 0 HD22 ASN A 41 -4.175 -6.293 1.310 1.00 23.25 H new ATOM 699 N THR A 42 -4.544 -1.349 2.605 1.00 60.22 N ATOM 700 CA THR A 42 -5.274 -0.231 2.021 1.00 45.24 C ATOM 701 C THR A 42 -4.960 -0.086 0.536 1.00 23.14 C ATOM 702 O THR A 42 -3.830 0.223 0.157 1.00 12.04 O ATOM 703 CB THR A 42 -4.941 1.092 2.736 1.00 41.53 C ATOM 704 OG1 THR A 42 -5.328 1.016 4.112 1.00 42.03 O ATOM 705 CG2 THR A 42 -5.650 2.261 2.068 1.00 1.22 C ATOM 0 H THR A 42 -3.585 -1.447 2.271 1.00 60.22 H new ATOM 0 HA THR A 42 -6.335 -0.446 2.146 1.00 45.24 H new ATOM 0 HB THR A 42 -3.865 1.254 2.670 1.00 41.53 H new ATOM 0 HG1 THR A 42 -5.111 1.860 4.560 1.00 42.03 H new ATOM 0 HG21 THR A 42 -5.400 3.185 2.590 1.00 1.22 H new ATOM 0 HG22 THR A 42 -5.331 2.334 1.028 1.00 1.22 H new ATOM 0 HG23 THR A 42 -6.728 2.103 2.107 1.00 1.22 H new ATOM 713 N PHE A 43 -5.967 -0.310 -0.301 1.00 73.40 N ATOM 714 CA PHE A 43 -5.799 -0.204 -1.745 1.00 63.54 C ATOM 715 C PHE A 43 -6.250 1.165 -2.248 1.00 22.34 C ATOM 716 O PHE A 43 -7.447 1.442 -2.338 1.00 3.52 O ATOM 717 CB PHE A 43 -6.590 -1.306 -2.455 1.00 11.34 C ATOM 718 CG PHE A 43 -6.179 -2.693 -2.052 1.00 32.03 C ATOM 719 CD1 PHE A 43 -6.271 -3.101 -0.730 1.00 50.24 C ATOM 720 CD2 PHE A 43 -5.702 -3.590 -2.994 1.00 62.30 C ATOM 721 CE1 PHE A 43 -5.892 -4.376 -0.357 1.00 52.11 C ATOM 722 CE2 PHE A 43 -5.323 -4.868 -2.627 1.00 14.51 C ATOM 723 CZ PHE A 43 -5.420 -5.262 -1.306 1.00 41.34 C ATOM 0 H PHE A 43 -6.909 -0.566 -0.004 1.00 73.40 H new ATOM 0 HA PHE A 43 -4.739 -0.323 -1.971 1.00 63.54 H new ATOM 0 HB2 PHE A 43 -7.651 -1.174 -2.244 1.00 11.34 H new ATOM 0 HB3 PHE A 43 -6.464 -1.197 -3.532 1.00 11.34 H new ATOM 0 HD1 PHE A 43 -6.643 -2.415 0.016 1.00 50.24 H new ATOM 0 HD2 PHE A 43 -5.625 -3.287 -4.028 1.00 62.30 H new ATOM 0 HE1 PHE A 43 -5.965 -4.680 0.677 1.00 52.11 H new ATOM 0 HE2 PHE A 43 -4.952 -5.557 -3.371 1.00 14.51 H new ATOM 0 HZ PHE A 43 -5.127 -6.260 -1.016 1.00 41.34 H new ATOM 733 N LEU A 44 -5.283 2.016 -2.572 1.00 2.12 N ATOM 734 CA LEU A 44 -5.579 3.358 -3.064 1.00 23.45 C ATOM 735 C LEU A 44 -5.889 3.333 -4.557 1.00 61.04 C ATOM 736 O LEU A 44 -5.090 2.848 -5.359 1.00 61.10 O ATOM 737 CB LEU A 44 -4.401 4.294 -2.790 1.00 65.33 C ATOM 738 CG LEU A 44 -3.517 3.930 -1.597 1.00 54.31 C ATOM 739 CD1 LEU A 44 -2.624 5.100 -1.218 1.00 53.34 C ATOM 740 CD2 LEU A 44 -4.372 3.505 -0.412 1.00 23.33 C ATOM 0 H LEU A 44 -4.288 1.802 -2.503 1.00 2.12 H new ATOM 0 HA LEU A 44 -6.458 3.728 -2.536 1.00 23.45 H new ATOM 0 HB2 LEU A 44 -3.776 4.329 -3.682 1.00 65.33 H new ATOM 0 HB3 LEU A 44 -4.791 5.300 -2.634 1.00 65.33 H new ATOM 0 HG LEU A 44 -2.881 3.092 -1.882 1.00 54.31 H new ATOM 0 HD11 LEU A 44 -2.002 4.822 -0.367 1.00 53.34 H new ATOM 0 HD12 LEU A 44 -1.987 5.360 -2.063 1.00 53.34 H new ATOM 0 HD13 LEU A 44 -3.242 5.958 -0.951 1.00 53.34 H new ATOM 0 HD21 LEU A 44 -3.727 3.249 0.429 1.00 23.33 H new ATOM 0 HD22 LEU A 44 -5.032 4.324 -0.127 1.00 23.33 H new ATOM 0 HD23 LEU A 44 -4.970 2.637 -0.688 1.00 23.33 H new ATOM 752 N ARG A 45 -7.051 3.862 -4.925 1.00 14.23 N ATOM 753 CA ARG A 45 -7.465 3.903 -6.322 1.00 20.32 C ATOM 754 C ARG A 45 -6.642 4.921 -7.103 1.00 70.14 C ATOM 755 O ARG A 45 -7.104 6.029 -7.380 1.00 73.21 O ATOM 756 CB ARG A 45 -8.953 4.245 -6.425 1.00 0.33 C ATOM 757 CG ARG A 45 -9.854 3.275 -5.680 1.00 33.34 C ATOM 758 CD ARG A 45 -11.321 3.646 -5.835 1.00 11.30 C ATOM 759 NE ARG A 45 -11.830 3.324 -7.165 1.00 21.25 N ATOM 760 CZ ARG A 45 -13.113 3.101 -7.427 1.00 22.41 C ATOM 761 NH1 ARG A 45 -14.013 3.166 -6.455 1.00 41.34 N ATOM 762 NH2 ARG A 45 -13.498 2.813 -8.663 1.00 72.20 N ATOM 0 H ARG A 45 -7.723 4.269 -4.274 1.00 14.23 H new ATOM 0 HA ARG A 45 -7.295 2.917 -6.755 1.00 20.32 H new ATOM 0 HB2 ARG A 45 -9.114 5.250 -6.035 1.00 0.33 H new ATOM 0 HB3 ARG A 45 -9.241 4.261 -7.476 1.00 0.33 H new ATOM 0 HG2 ARG A 45 -9.692 2.265 -6.055 1.00 33.34 H new ATOM 0 HG3 ARG A 45 -9.589 3.269 -4.623 1.00 33.34 H new ATOM 0 HD2 ARG A 45 -11.909 3.118 -5.084 1.00 11.30 H new ATOM 0 HD3 ARG A 45 -11.447 4.712 -5.647 1.00 11.30 H new ATOM 0 HE ARG A 45 -11.164 3.267 -7.935 1.00 21.25 H new ATOM 0 HH11 ARG A 45 -13.721 3.388 -5.503 1.00 41.34 H new ATOM 0 HH12 ARG A 45 -14.997 2.994 -6.659 1.00 41.34 H new ATOM 0 HH21 ARG A 45 -12.809 2.763 -9.413 1.00 72.20 H new ATOM 0 HH22 ARG A 45 -14.483 2.642 -8.863 1.00 72.20 H new ATOM 776 N THR A 46 -5.419 4.540 -7.458 1.00 1.13 N ATOM 777 CA THR A 46 -4.530 5.420 -8.206 1.00 14.10 C ATOM 778 C THR A 46 -3.390 4.636 -8.845 1.00 44.13 C ATOM 779 O THR A 46 -3.088 3.513 -8.437 1.00 55.23 O ATOM 780 CB THR A 46 -3.939 6.520 -7.304 1.00 51.32 C ATOM 781 OG1 THR A 46 -3.230 7.477 -8.099 1.00 64.30 O ATOM 782 CG2 THR A 46 -3.001 5.923 -6.266 1.00 31.33 C ATOM 0 H THR A 46 -5.021 3.627 -7.239 1.00 1.13 H new ATOM 0 HA THR A 46 -5.130 5.885 -8.988 1.00 14.10 H new ATOM 0 HB THR A 46 -4.761 7.015 -6.787 1.00 51.32 H new ATOM 0 HG1 THR A 46 -2.766 8.110 -7.512 1.00 64.30 H new ATOM 0 HG21 THR A 46 -2.596 6.719 -5.641 1.00 31.33 H new ATOM 0 HG22 THR A 46 -3.550 5.216 -5.643 1.00 31.33 H new ATOM 0 HG23 THR A 46 -2.184 5.405 -6.769 1.00 31.33 H new ATOM 790 N THR A 47 -2.757 5.233 -9.851 1.00 12.43 N ATOM 791 CA THR A 47 -1.650 4.590 -10.547 1.00 50.21 C ATOM 792 C THR A 47 -0.346 4.753 -9.775 1.00 2.25 C ATOM 793 O THR A 47 -0.207 5.663 -8.957 1.00 40.41 O ATOM 794 CB THR A 47 -1.470 5.165 -11.965 1.00 61.10 C ATOM 795 OG1 THR A 47 -2.729 5.614 -12.476 1.00 14.50 O ATOM 796 CG2 THR A 47 -0.881 4.119 -12.901 1.00 51.03 C ATOM 0 H THR A 47 -2.993 6.161 -10.201 1.00 12.43 H new ATOM 0 HA THR A 47 -1.895 3.530 -10.620 1.00 50.21 H new ATOM 0 HB THR A 47 -0.782 6.008 -11.907 1.00 61.10 H new ATOM 0 HG1 THR A 47 -2.605 5.979 -13.377 1.00 14.50 H new ATOM 0 HG21 THR A 47 -0.763 4.547 -13.896 1.00 51.03 H new ATOM 0 HG22 THR A 47 0.091 3.801 -12.525 1.00 51.03 H new ATOM 0 HG23 THR A 47 -1.549 3.259 -12.953 1.00 51.03 H new ATOM 804 N PHE A 48 0.608 3.867 -10.040 1.00 32.23 N ATOM 805 CA PHE A 48 1.901 3.913 -9.369 1.00 22.53 C ATOM 806 C PHE A 48 2.596 5.248 -9.618 1.00 30.34 C ATOM 807 O PHE A 48 3.296 5.767 -8.748 1.00 63.02 O ATOM 808 CB PHE A 48 2.791 2.765 -9.851 1.00 30.02 C ATOM 809 CG PHE A 48 3.765 2.285 -8.814 1.00 40.23 C ATOM 810 CD1 PHE A 48 3.320 1.834 -7.582 1.00 52.33 C ATOM 811 CD2 PHE A 48 5.127 2.283 -9.072 1.00 13.53 C ATOM 812 CE1 PHE A 48 4.216 1.393 -6.625 1.00 73.43 C ATOM 813 CE2 PHE A 48 6.027 1.843 -8.119 1.00 73.44 C ATOM 814 CZ PHE A 48 5.570 1.396 -6.895 1.00 65.14 C ATOM 0 H PHE A 48 0.510 3.108 -10.715 1.00 32.23 H new ATOM 0 HA PHE A 48 1.730 3.806 -8.298 1.00 22.53 H new ATOM 0 HB2 PHE A 48 2.160 1.931 -10.158 1.00 30.02 H new ATOM 0 HB3 PHE A 48 3.343 3.090 -10.733 1.00 30.02 H new ATOM 0 HD1 PHE A 48 2.262 1.827 -7.366 1.00 52.33 H new ATOM 0 HD2 PHE A 48 5.489 2.629 -10.029 1.00 13.53 H new ATOM 0 HE1 PHE A 48 3.857 1.047 -5.667 1.00 73.43 H new ATOM 0 HE2 PHE A 48 7.086 1.849 -8.332 1.00 73.44 H new ATOM 0 HZ PHE A 48 6.271 1.049 -6.150 1.00 65.14 H new ATOM 824 N ALA A 49 2.397 5.798 -10.810 1.00 41.43 N ATOM 825 CA ALA A 49 3.002 7.074 -11.174 1.00 42.32 C ATOM 826 C ALA A 49 2.514 8.194 -10.261 1.00 74.33 C ATOM 827 O ALA A 49 3.307 8.989 -9.759 1.00 30.41 O ATOM 828 CB ALA A 49 2.701 7.407 -12.628 1.00 23.42 C ATOM 0 H ALA A 49 1.821 5.380 -11.541 1.00 41.43 H new ATOM 0 HA ALA A 49 4.081 6.984 -11.050 1.00 42.32 H new ATOM 0 HB1 ALA A 49 3.159 8.362 -12.885 1.00 23.42 H new ATOM 0 HB2 ALA A 49 3.106 6.626 -13.271 1.00 23.42 H new ATOM 0 HB3 ALA A 49 1.622 7.472 -12.771 1.00 23.42 H new ATOM 834 N ASN A 50 1.201 8.250 -10.052 1.00 5.13 N ATOM 835 CA ASN A 50 0.607 9.273 -9.200 1.00 73.05 C ATOM 836 C ASN A 50 1.109 9.146 -7.765 1.00 53.55 C ATOM 837 O ASN A 50 1.075 10.107 -6.997 1.00 1.51 O ATOM 838 CB ASN A 50 -0.919 9.167 -9.229 1.00 44.31 C ATOM 839 CG ASN A 50 -1.497 9.525 -10.585 1.00 14.35 C ATOM 840 OD1 ASN A 50 -1.604 10.701 -10.936 1.00 71.51 O ATOM 841 ND2 ASN A 50 -1.874 8.510 -11.354 1.00 44.13 N ATOM 0 H ASN A 50 0.530 7.599 -10.461 1.00 5.13 H new ATOM 0 HA ASN A 50 0.905 10.248 -9.585 1.00 73.05 H new ATOM 0 HB2 ASN A 50 -1.215 8.151 -8.967 1.00 44.31 H new ATOM 0 HB3 ASN A 50 -1.341 9.827 -8.471 1.00 44.31 H new ATOM 0 HD21 ASN A 50 -2.271 8.689 -12.276 1.00 44.13 H new ATOM 0 HD22 ASN A 50 -1.767 7.551 -11.022 1.00 44.13 H new ATOM 848 N VAL A 51 1.576 7.953 -7.410 1.00 71.10 N ATOM 849 CA VAL A 51 2.087 7.700 -6.069 1.00 42.00 C ATOM 850 C VAL A 51 3.561 8.077 -5.962 1.00 21.31 C ATOM 851 O VAL A 51 3.958 8.829 -5.072 1.00 64.41 O ATOM 852 CB VAL A 51 1.916 6.221 -5.673 1.00 1.22 C ATOM 853 CG1 VAL A 51 2.861 5.860 -4.536 1.00 51.11 C ATOM 854 CG2 VAL A 51 0.472 5.937 -5.288 1.00 1.23 C ATOM 0 H VAL A 51 1.611 7.146 -8.033 1.00 71.10 H new ATOM 0 HA VAL A 51 1.506 8.320 -5.387 1.00 42.00 H new ATOM 0 HB VAL A 51 2.168 5.601 -6.533 1.00 1.22 H new ATOM 0 HG11 VAL A 51 2.726 4.812 -4.270 1.00 51.11 H new ATOM 0 HG12 VAL A 51 3.891 6.024 -4.853 1.00 51.11 H new ATOM 0 HG13 VAL A 51 2.644 6.485 -3.670 1.00 51.11 H new ATOM 0 HG21 VAL A 51 0.369 4.888 -5.011 1.00 1.23 H new ATOM 0 HG22 VAL A 51 0.191 6.565 -4.443 1.00 1.23 H new ATOM 0 HG23 VAL A 51 -0.180 6.155 -6.134 1.00 1.23 H new ATOM 864 N VAL A 52 4.369 7.548 -6.876 1.00 74.51 N ATOM 865 CA VAL A 52 5.799 7.829 -6.887 1.00 53.22 C ATOM 866 C VAL A 52 6.064 9.327 -7.002 1.00 32.31 C ATOM 867 O VAL A 52 7.076 9.827 -6.516 1.00 1.12 O ATOM 868 CB VAL A 52 6.506 7.103 -8.046 1.00 53.24 C ATOM 869 CG1 VAL A 52 7.993 7.423 -8.051 1.00 53.33 C ATOM 870 CG2 VAL A 52 6.275 5.603 -7.954 1.00 22.24 C ATOM 0 H VAL A 52 4.057 6.922 -7.619 1.00 74.51 H new ATOM 0 HA VAL A 52 6.200 7.463 -5.942 1.00 53.22 H new ATOM 0 HB VAL A 52 6.081 7.456 -8.985 1.00 53.24 H new ATOM 0 HG11 VAL A 52 8.475 6.900 -8.877 1.00 53.33 H new ATOM 0 HG12 VAL A 52 8.134 8.497 -8.170 1.00 53.33 H new ATOM 0 HG13 VAL A 52 8.438 7.101 -7.109 1.00 53.33 H new ATOM 0 HG21 VAL A 52 6.782 5.105 -8.781 1.00 22.24 H new ATOM 0 HG22 VAL A 52 6.671 5.231 -7.009 1.00 22.24 H new ATOM 0 HG23 VAL A 52 5.206 5.396 -8.006 1.00 22.24 H new ATOM 880 N ASN A 53 5.145 10.036 -7.650 1.00 45.34 N ATOM 881 CA ASN A 53 5.279 11.477 -7.830 1.00 25.11 C ATOM 882 C ASN A 53 5.057 12.213 -6.513 1.00 1.50 C ATOM 883 O ASN A 53 5.557 13.321 -6.316 1.00 21.05 O ATOM 884 CB ASN A 53 4.284 11.975 -8.880 1.00 42.34 C ATOM 885 CG ASN A 53 3.851 13.407 -8.632 1.00 14.54 C ATOM 886 OD1 ASN A 53 4.504 14.352 -9.074 1.00 23.30 O ATOM 887 ND2 ASN A 53 2.742 13.574 -7.919 1.00 45.31 N ATOM 0 H ASN A 53 4.300 9.636 -8.059 1.00 45.34 H new ATOM 0 HA ASN A 53 6.293 11.682 -8.173 1.00 25.11 H new ATOM 0 HB2 ASN A 53 4.736 11.901 -9.869 1.00 42.34 H new ATOM 0 HB3 ASN A 53 3.407 11.328 -8.881 1.00 42.34 H new ATOM 0 HD21 ASN A 53 2.401 14.514 -7.719 1.00 45.31 H new ATOM 0 HD22 ASN A 53 2.232 12.762 -7.572 1.00 45.31 H new ATOM 894 N VAL A 54 4.306 11.588 -5.612 1.00 12.41 N ATOM 895 CA VAL A 54 4.019 12.183 -4.312 1.00 33.44 C ATOM 896 C VAL A 54 5.274 12.249 -3.449 1.00 1.21 C ATOM 897 O VAL A 54 5.433 13.159 -2.634 1.00 62.11 O ATOM 898 CB VAL A 54 2.933 11.390 -3.560 1.00 25.24 C ATOM 899 CG1 VAL A 54 2.981 11.699 -2.070 1.00 61.43 C ATOM 900 CG2 VAL A 54 1.558 11.694 -4.132 1.00 53.21 C ATOM 0 H VAL A 54 3.885 10.670 -5.758 1.00 12.41 H new ATOM 0 HA VAL A 54 3.657 13.194 -4.499 1.00 33.44 H new ATOM 0 HB VAL A 54 3.128 10.326 -3.693 1.00 25.24 H new ATOM 0 HG11 VAL A 54 2.207 11.130 -1.555 1.00 61.43 H new ATOM 0 HG12 VAL A 54 3.958 11.424 -1.673 1.00 61.43 H new ATOM 0 HG13 VAL A 54 2.812 12.764 -1.914 1.00 61.43 H new ATOM 0 HG21 VAL A 54 0.804 11.125 -3.588 1.00 53.21 H new ATOM 0 HG22 VAL A 54 1.350 12.759 -4.033 1.00 53.21 H new ATOM 0 HG23 VAL A 54 1.533 11.416 -5.186 1.00 53.21 H new ATOM 910 N CYS A 55 6.164 11.280 -3.633 1.00 20.41 N ATOM 911 CA CYS A 55 7.406 11.227 -2.872 1.00 41.14 C ATOM 912 C CYS A 55 8.275 12.448 -3.164 1.00 63.31 C ATOM 913 O CYS A 55 9.067 12.874 -2.325 1.00 50.32 O ATOM 914 CB CYS A 55 8.177 9.948 -3.203 1.00 3.54 C ATOM 915 SG CYS A 55 7.116 8.497 -3.500 1.00 44.24 S ATOM 0 H CYS A 55 6.048 10.520 -4.303 1.00 20.41 H new ATOM 0 HA CYS A 55 7.154 11.227 -1.812 1.00 41.14 H new ATOM 0 HB2 CYS A 55 8.790 10.124 -4.087 1.00 3.54 H new ATOM 0 HB3 CYS A 55 8.859 9.725 -2.382 1.00 3.54 H new ATOM 920 N GLY A 56 8.121 13.004 -4.363 1.00 14.05 N ATOM 921 CA GLY A 56 8.898 14.169 -4.745 1.00 15.25 C ATOM 922 C GLY A 56 8.397 15.440 -4.087 1.00 52.11 C ATOM 923 O GLY A 56 8.865 16.534 -4.400 1.00 3.42 O ATOM 0 H GLY A 56 7.473 12.669 -5.075 1.00 14.05 H new ATOM 0 HA2 GLY A 56 9.942 14.010 -4.475 1.00 15.25 H new ATOM 0 HA3 GLY A 56 8.863 14.286 -5.828 1.00 15.25 H new ATOM 927 N ASN A 57 7.441 15.296 -3.176 1.00 3.54 N ATOM 928 CA ASN A 57 6.875 16.443 -2.474 1.00 23.20 C ATOM 929 C ASN A 57 7.549 16.639 -1.120 1.00 10.41 C ATOM 930 O ASN A 57 8.237 15.747 -0.624 1.00 10.50 O ATOM 931 CB ASN A 57 5.368 16.258 -2.284 1.00 70.01 C ATOM 932 CG ASN A 57 4.608 16.321 -3.595 1.00 61.34 C ATOM 933 OD1 ASN A 57 5.184 16.600 -4.647 1.00 43.51 O ATOM 934 ND2 ASN A 57 3.308 16.061 -3.538 1.00 14.31 N ATOM 0 H ASN A 57 7.042 14.397 -2.906 1.00 3.54 H new ATOM 0 HA ASN A 57 7.052 17.332 -3.080 1.00 23.20 H new ATOM 0 HB2 ASN A 57 5.180 15.297 -1.804 1.00 70.01 H new ATOM 0 HB3 ASN A 57 4.992 17.029 -1.612 1.00 70.01 H new ATOM 0 HD21 ASN A 57 2.745 16.088 -4.388 1.00 14.31 H new ATOM 0 HD22 ASN A 57 2.872 15.834 -2.644 1.00 14.31 H new ATOM 941 N GLN A 58 7.346 17.811 -0.527 1.00 55.33 N ATOM 942 CA GLN A 58 7.934 18.124 0.769 1.00 34.11 C ATOM 943 C GLN A 58 7.740 16.970 1.748 1.00 43.22 C ATOM 944 O GLN A 58 6.631 16.725 2.222 1.00 63.23 O ATOM 945 CB GLN A 58 7.314 19.401 1.339 1.00 31.25 C ATOM 946 CG GLN A 58 8.248 20.174 2.257 1.00 5.23 C ATOM 947 CD GLN A 58 8.475 19.473 3.583 1.00 43.04 C ATOM 948 OE1 GLN A 58 7.526 19.141 4.293 1.00 5.52 O ATOM 949 NE2 GLN A 58 9.739 19.245 3.922 1.00 30.21 N ATOM 0 H GLN A 58 6.778 18.560 -0.924 1.00 55.33 H new ATOM 0 HA GLN A 58 9.003 18.280 0.626 1.00 34.11 H new ATOM 0 HB2 GLN A 58 7.011 20.047 0.515 1.00 31.25 H new ATOM 0 HB3 GLN A 58 6.410 19.142 1.889 1.00 31.25 H new ATOM 0 HG2 GLN A 58 9.206 20.317 1.757 1.00 5.23 H new ATOM 0 HG3 GLN A 58 7.833 21.165 2.441 1.00 5.23 H new ATOM 0 HE21 GLN A 58 10.494 19.538 3.302 1.00 30.21 H new ATOM 0 HE22 GLN A 58 9.954 18.777 4.802 1.00 30.21 H new ATOM 958 N SER A 59 8.827 16.264 2.045 1.00 71.14 N ATOM 959 CA SER A 59 8.775 15.132 2.963 1.00 53.54 C ATOM 960 C SER A 59 8.481 15.600 4.385 1.00 11.21 C ATOM 961 O SER A 59 8.545 16.793 4.684 1.00 72.13 O ATOM 962 CB SER A 59 10.096 14.362 2.931 1.00 4.22 C ATOM 963 OG SER A 59 11.199 15.232 3.118 1.00 1.43 O ATOM 0 H SER A 59 9.753 16.456 1.664 1.00 71.14 H new ATOM 0 HA SER A 59 7.970 14.472 2.642 1.00 53.54 H new ATOM 0 HB2 SER A 59 10.095 13.599 3.710 1.00 4.22 H new ATOM 0 HB3 SER A 59 10.195 13.844 1.977 1.00 4.22 H new ATOM 0 HG SER A 59 12.031 14.715 3.095 1.00 1.43 H new ATOM 969 N ILE A 60 8.158 14.652 5.258 1.00 50.01 N ATOM 970 CA ILE A 60 7.855 14.966 6.649 1.00 11.31 C ATOM 971 C ILE A 60 7.960 13.725 7.528 1.00 22.42 C ATOM 972 O ILE A 60 8.027 12.602 7.028 1.00 22.15 O ATOM 973 CB ILE A 60 6.445 15.568 6.795 1.00 34.42 C ATOM 974 CG1 ILE A 60 5.448 14.807 5.919 1.00 22.44 C ATOM 975 CG2 ILE A 60 6.459 17.044 6.431 1.00 13.11 C ATOM 976 CD1 ILE A 60 4.003 15.058 6.289 1.00 52.41 C ATOM 0 H ILE A 60 8.099 13.660 5.027 1.00 50.01 H new ATOM 0 HA ILE A 60 8.591 15.701 6.975 1.00 11.31 H new ATOM 0 HB ILE A 60 6.132 15.473 7.835 1.00 34.42 H new ATOM 0 HG12 ILE A 60 5.602 15.090 4.878 1.00 22.44 H new ATOM 0 HG13 ILE A 60 5.653 13.739 5.993 1.00 22.44 H new ATOM 0 HG21 ILE A 60 5.455 17.455 6.539 1.00 13.11 H new ATOM 0 HG22 ILE A 60 7.142 17.576 7.093 1.00 13.11 H new ATOM 0 HG23 ILE A 60 6.790 17.161 5.399 1.00 13.11 H new ATOM 0 HD11 ILE A 60 3.353 14.486 5.626 1.00 52.41 H new ATOM 0 HD12 ILE A 60 3.832 14.749 7.320 1.00 52.41 H new ATOM 0 HD13 ILE A 60 3.781 16.120 6.187 1.00 52.41 H new ATOM 988 N ARG A 61 7.970 13.935 8.840 1.00 65.31 N ATOM 989 CA ARG A 61 8.066 12.832 9.790 1.00 2.22 C ATOM 990 C ARG A 61 6.750 12.064 9.865 1.00 41.21 C ATOM 991 O ARG A 61 5.717 12.616 10.245 1.00 42.12 O ATOM 992 CB ARG A 61 8.443 13.357 11.177 1.00 71.23 C ATOM 993 CG ARG A 61 7.590 14.527 11.638 1.00 32.33 C ATOM 994 CD ARG A 61 7.783 14.808 13.120 1.00 11.01 C ATOM 995 NE ARG A 61 9.064 15.455 13.392 1.00 73.25 N ATOM 996 CZ ARG A 61 9.602 15.539 14.603 1.00 63.43 C ATOM 997 NH1 ARG A 61 8.974 15.017 15.649 1.00 43.43 N ATOM 998 NH2 ARG A 61 10.771 16.143 14.770 1.00 64.23 N ATOM 0 H ARG A 61 7.913 14.858 9.270 1.00 65.31 H new ATOM 0 HA ARG A 61 8.844 12.152 9.443 1.00 2.22 H new ATOM 0 HB2 ARG A 61 8.353 12.546 11.900 1.00 71.23 H new ATOM 0 HB3 ARG A 61 9.489 13.662 11.169 1.00 71.23 H new ATOM 0 HG2 ARG A 61 7.847 15.416 11.062 1.00 32.33 H new ATOM 0 HG3 ARG A 61 6.540 14.313 11.441 1.00 32.33 H new ATOM 0 HD2 ARG A 61 6.973 15.444 13.477 1.00 11.01 H new ATOM 0 HD3 ARG A 61 7.724 13.873 13.677 1.00 11.01 H new ATOM 0 HE ARG A 61 9.573 15.865 12.609 1.00 73.25 H new ATOM 0 HH11 ARG A 61 8.076 14.550 15.524 1.00 43.43 H new ATOM 0 HH12 ARG A 61 9.389 15.083 16.578 1.00 43.43 H new ATOM 0 HH21 ARG A 61 11.257 16.543 13.968 1.00 64.23 H new ATOM 0 HH22 ARG A 61 11.184 16.207 15.701 1.00 64.23 H new ATOM 1012 N CYS A 62 6.795 10.787 9.501 1.00 23.21 N ATOM 1013 CA CYS A 62 5.607 9.942 9.526 1.00 23.22 C ATOM 1014 C CYS A 62 5.090 9.772 10.952 1.00 52.44 C ATOM 1015 O CYS A 62 5.837 9.872 11.925 1.00 1.53 O ATOM 1016 CB CYS A 62 5.917 8.573 8.918 1.00 4.25 C ATOM 1017 SG CYS A 62 5.625 8.473 7.122 1.00 3.44 S ATOM 0 H CYS A 62 7.642 10.314 9.185 1.00 23.21 H new ATOM 0 HA CYS A 62 4.833 10.429 8.933 1.00 23.22 H new ATOM 0 HB2 CYS A 62 6.959 8.325 9.120 1.00 4.25 H new ATOM 0 HB3 CYS A 62 5.308 7.819 9.417 1.00 4.25 H new ATOM 1022 N PRO A 63 3.781 9.510 11.079 1.00 24.41 N ATOM 1023 CA PRO A 63 3.134 9.320 12.381 1.00 1.53 C ATOM 1024 C PRO A 63 3.561 8.021 13.055 1.00 3.34 C ATOM 1025 O PRO A 63 3.702 7.961 14.278 1.00 44.32 O ATOM 1026 CB PRO A 63 1.644 9.278 12.034 1.00 51.24 C ATOM 1027 CG PRO A 63 1.597 8.820 10.617 1.00 44.40 C ATOM 1028 CD PRO A 63 2.832 9.376 9.962 1.00 54.33 C ATOM 0 HA PRO A 63 3.399 10.107 13.087 1.00 1.53 H new ATOM 0 HB2 PRO A 63 1.104 8.594 12.689 1.00 51.24 H new ATOM 0 HB3 PRO A 63 1.183 10.259 12.148 1.00 51.24 H new ATOM 0 HG2 PRO A 63 1.580 7.732 10.559 1.00 44.40 H new ATOM 0 HG3 PRO A 63 0.696 9.180 10.120 1.00 44.40 H new ATOM 0 HD2 PRO A 63 3.213 8.708 9.190 1.00 54.33 H new ATOM 0 HD3 PRO A 63 2.636 10.336 9.484 1.00 54.33 H new ATOM 1036 N HIS A 64 3.764 6.981 12.253 1.00 62.20 N ATOM 1037 CA HIS A 64 4.176 5.682 12.774 1.00 61.42 C ATOM 1038 C HIS A 64 5.580 5.754 13.367 1.00 52.25 C ATOM 1039 O HIS A 64 5.947 4.944 14.217 1.00 12.43 O ATOM 1040 CB HIS A 64 4.131 4.628 11.667 1.00 10.23 C ATOM 1041 CG HIS A 64 4.233 3.222 12.174 1.00 31.10 C ATOM 1042 ND1 HIS A 64 3.583 2.782 13.308 1.00 51.52 N ATOM 1043 CD2 HIS A 64 4.912 2.155 11.694 1.00 3.03 C ATOM 1044 CE1 HIS A 64 3.860 1.506 13.504 1.00 33.54 C ATOM 1045 NE2 HIS A 64 4.664 1.100 12.539 1.00 42.53 N ATOM 0 H HIS A 64 3.650 7.012 11.240 1.00 62.20 H new ATOM 0 HA HIS A 64 3.481 5.398 13.565 1.00 61.42 H new ATOM 0 HB2 HIS A 64 3.201 4.738 11.110 1.00 10.23 H new ATOM 0 HB3 HIS A 64 4.946 4.813 10.967 1.00 10.23 H new ATOM 0 HD2 HIS A 64 5.533 2.136 10.811 1.00 3.03 H new ATOM 0 HE1 HIS A 64 3.491 0.897 14.316 1.00 33.54 H new ATOM 0 HE2 HIS A 64 5.040 0.157 12.437 1.00 42.53 H new ATOM 1054 N ASN A 65 6.360 6.730 12.912 1.00 61.52 N ATOM 1055 CA ASN A 65 7.724 6.907 13.397 1.00 31.22 C ATOM 1056 C ASN A 65 8.085 8.386 13.474 1.00 43.41 C ATOM 1057 O ASN A 65 8.270 9.045 12.450 1.00 60.01 O ATOM 1058 CB ASN A 65 8.710 6.175 12.484 1.00 42.22 C ATOM 1059 CG ASN A 65 8.640 4.669 12.646 1.00 61.24 C ATOM 1060 OD1 ASN A 65 9.440 4.072 13.366 1.00 40.11 O ATOM 1061 ND2 ASN A 65 7.679 4.047 11.973 1.00 34.44 N ATOM 0 H ASN A 65 6.071 7.410 12.209 1.00 61.52 H new ATOM 0 HA ASN A 65 7.786 6.484 14.400 1.00 31.22 H new ATOM 0 HB2 ASN A 65 8.502 6.436 11.446 1.00 42.22 H new ATOM 0 HB3 ASN A 65 9.723 6.514 12.701 1.00 42.22 H new ATOM 0 HD21 ASN A 65 7.582 3.034 12.041 1.00 34.44 H new ATOM 0 HD22 ASN A 65 7.038 4.582 11.388 1.00 34.44 H new ATOM 1068 N ARG A 66 8.186 8.903 14.694 1.00 23.41 N ATOM 1069 CA ARG A 66 8.526 10.305 14.905 1.00 31.32 C ATOM 1070 C ARG A 66 10.014 10.545 14.671 1.00 61.34 C ATOM 1071 O ARG A 66 10.524 11.639 14.916 1.00 64.30 O ATOM 1072 CB ARG A 66 8.146 10.736 16.323 1.00 61.23 C ATOM 1073 CG ARG A 66 9.048 10.155 17.398 1.00 3.24 C ATOM 1074 CD ARG A 66 8.739 10.746 18.765 1.00 51.30 C ATOM 1075 NE ARG A 66 9.344 9.974 19.846 1.00 21.13 N ATOM 1076 CZ ARG A 66 8.893 9.979 21.096 1.00 52.34 C ATOM 1077 NH1 ARG A 66 7.837 10.715 21.419 1.00 22.41 N ATOM 1078 NH2 ARG A 66 9.497 9.249 22.024 1.00 41.04 N ATOM 0 H ARG A 66 8.037 8.372 15.552 1.00 23.41 H new ATOM 0 HA ARG A 66 7.962 10.901 14.188 1.00 31.32 H new ATOM 0 HB2 ARG A 66 8.177 11.824 16.384 1.00 61.23 H new ATOM 0 HB3 ARG A 66 7.117 10.435 16.522 1.00 61.23 H new ATOM 0 HG2 ARG A 66 8.924 9.073 17.432 1.00 3.24 H new ATOM 0 HG3 ARG A 66 10.090 10.349 17.144 1.00 3.24 H new ATOM 0 HD2 ARG A 66 9.102 11.773 18.806 1.00 51.30 H new ATOM 0 HD3 ARG A 66 7.659 10.784 18.907 1.00 51.30 H new ATOM 0 HE ARG A 66 10.158 9.399 19.630 1.00 21.13 H new ATOM 0 HH11 ARG A 66 7.371 11.278 20.707 1.00 22.41 H new ATOM 0 HH12 ARG A 66 7.492 10.718 22.379 1.00 22.41 H new ATOM 0 HH21 ARG A 66 10.309 8.683 21.779 1.00 41.04 H new ATOM 0 HH22 ARG A 66 9.150 9.254 22.983 1.00 41.04 H new ATOM 1092 N THR A 67 10.707 9.515 14.195 1.00 73.02 N ATOM 1093 CA THR A 67 12.137 9.613 13.928 1.00 13.31 C ATOM 1094 C THR A 67 12.441 9.354 12.458 1.00 62.04 C ATOM 1095 O THR A 67 13.282 10.026 11.859 1.00 31.12 O ATOM 1096 CB THR A 67 12.938 8.619 14.790 1.00 22.30 C ATOM 1097 OG1 THR A 67 14.311 8.616 14.386 1.00 4.43 O ATOM 1098 CG2 THR A 67 12.365 7.215 14.668 1.00 5.05 C ATOM 0 H THR A 67 10.301 8.603 13.986 1.00 73.02 H new ATOM 0 HA THR A 67 12.438 10.629 14.184 1.00 13.31 H new ATOM 0 HB THR A 67 12.867 8.935 15.831 1.00 22.30 H new ATOM 0 HG1 THR A 67 14.814 7.983 14.940 1.00 4.43 H new ATOM 0 HG21 THR A 67 12.946 6.530 15.285 1.00 5.05 H new ATOM 0 HG22 THR A 67 11.328 7.215 15.004 1.00 5.05 H new ATOM 0 HG23 THR A 67 12.410 6.893 13.628 1.00 5.05 H new ATOM 1106 N LEU A 68 11.753 8.376 11.880 1.00 65.23 N ATOM 1107 CA LEU A 68 11.950 8.028 10.476 1.00 2.13 C ATOM 1108 C LEU A 68 11.407 9.122 9.562 1.00 3.50 C ATOM 1109 O LEU A 68 10.241 9.502 9.656 1.00 24.44 O ATOM 1110 CB LEU A 68 11.265 6.697 10.159 1.00 51.31 C ATOM 1111 CG LEU A 68 12.127 5.445 10.314 1.00 21.22 C ATOM 1112 CD1 LEU A 68 11.268 4.248 10.693 1.00 42.11 C ATOM 1113 CD2 LEU A 68 12.897 5.166 9.031 1.00 3.44 C ATOM 0 H LEU A 68 11.054 7.810 12.361 1.00 65.23 H new ATOM 0 HA LEU A 68 13.021 7.930 10.299 1.00 2.13 H new ATOM 0 HB2 LEU A 68 10.394 6.596 10.807 1.00 51.31 H new ATOM 0 HB3 LEU A 68 10.897 6.736 9.134 1.00 51.31 H new ATOM 0 HG LEU A 68 12.845 5.619 11.115 1.00 21.22 H new ATOM 0 HD11 LEU A 68 11.900 3.366 10.799 1.00 42.11 H new ATOM 0 HD12 LEU A 68 10.762 4.448 11.638 1.00 42.11 H new ATOM 0 HD13 LEU A 68 10.526 4.072 9.914 1.00 42.11 H new ATOM 0 HD21 LEU A 68 13.506 4.271 9.159 1.00 3.44 H new ATOM 0 HD22 LEU A 68 12.195 5.013 8.211 1.00 3.44 H new ATOM 0 HD23 LEU A 68 13.543 6.014 8.802 1.00 3.44 H new ATOM 1125 N ASN A 69 12.263 9.625 8.677 1.00 31.12 N ATOM 1126 CA ASN A 69 11.869 10.675 7.745 1.00 20.40 C ATOM 1127 C ASN A 69 12.227 10.292 6.312 1.00 31.22 C ATOM 1128 O ASN A 69 13.103 10.898 5.697 1.00 73.32 O ATOM 1129 CB ASN A 69 12.546 11.995 8.116 1.00 1.42 C ATOM 1130 CG ASN A 69 14.033 11.833 8.364 1.00 64.33 C ATOM 1131 OD1 ASN A 69 14.796 11.519 7.449 1.00 10.10 O ATOM 1132 ND2 ASN A 69 14.453 12.046 9.605 1.00 3.24 N ATOM 0 H ASN A 69 13.233 9.322 8.586 1.00 31.12 H new ATOM 0 HA ASN A 69 10.788 10.798 7.810 1.00 20.40 H new ATOM 0 HB2 ASN A 69 12.391 12.717 7.315 1.00 1.42 H new ATOM 0 HB3 ASN A 69 12.074 12.404 9.009 1.00 1.42 H new ATOM 0 HD21 ASN A 69 15.443 11.951 9.832 1.00 3.24 H new ATOM 0 HD22 ASN A 69 13.786 12.304 10.332 1.00 3.24 H new ATOM 1139 N ASN A 70 11.541 9.281 5.786 1.00 5.21 N ATOM 1140 CA ASN A 70 11.786 8.817 4.425 1.00 12.55 C ATOM 1141 C ASN A 70 10.474 8.633 3.669 1.00 44.11 C ATOM 1142 O ASN A 70 10.439 8.010 2.608 1.00 43.44 O ATOM 1143 CB ASN A 70 12.566 7.501 4.446 1.00 32.33 C ATOM 1144 CG ASN A 70 11.800 6.387 5.135 1.00 23.33 C ATOM 1145 OD1 ASN A 70 11.538 6.448 6.336 1.00 14.31 O ATOM 1146 ND2 ASN A 70 11.439 5.360 4.374 1.00 35.42 N ATOM 0 H ASN A 70 10.812 8.768 6.282 1.00 5.21 H new ATOM 0 HA ASN A 70 12.378 9.574 3.910 1.00 12.55 H new ATOM 0 HB2 ASN A 70 12.796 7.202 3.424 1.00 32.33 H new ATOM 0 HB3 ASN A 70 13.517 7.653 4.956 1.00 32.33 H new ATOM 0 HD21 ASN A 70 10.923 4.580 4.781 1.00 35.42 H new ATOM 0 HD22 ASN A 70 11.678 5.351 3.382 1.00 35.42 H new ATOM 1153 N CYS A 71 9.396 9.179 4.223 1.00 23.25 N ATOM 1154 CA CYS A 71 8.082 9.076 3.602 1.00 22.24 C ATOM 1155 C CYS A 71 7.518 10.459 3.287 1.00 5.14 C ATOM 1156 O CYS A 71 7.948 11.460 3.860 1.00 54.53 O ATOM 1157 CB CYS A 71 7.120 8.318 4.519 1.00 34.44 C ATOM 1158 SG CYS A 71 7.453 8.543 6.295 1.00 13.34 S ATOM 0 H CYS A 71 9.408 9.697 5.101 1.00 23.25 H new ATOM 0 HA CYS A 71 8.192 8.527 2.667 1.00 22.24 H new ATOM 0 HB2 CYS A 71 6.101 8.643 4.307 1.00 34.44 H new ATOM 0 HB3 CYS A 71 7.171 7.255 4.283 1.00 34.44 H new ATOM 1163 N HIS A 72 6.555 10.505 2.373 1.00 72.01 N ATOM 1164 CA HIS A 72 5.931 11.765 1.983 1.00 4.01 C ATOM 1165 C HIS A 72 4.411 11.638 1.969 1.00 23.22 C ATOM 1166 O HIS A 72 3.871 10.553 1.750 1.00 45.44 O ATOM 1167 CB HIS A 72 6.432 12.199 0.604 1.00 15.11 C ATOM 1168 CG HIS A 72 7.893 11.951 0.392 1.00 74.23 C ATOM 1169 ND1 HIS A 72 8.806 12.963 0.185 1.00 11.35 N ATOM 1170 CD2 HIS A 72 8.599 10.797 0.355 1.00 34.20 C ATOM 1171 CE1 HIS A 72 10.011 12.442 0.030 1.00 72.33 C ATOM 1172 NE2 HIS A 72 9.912 11.128 0.128 1.00 13.32 N ATOM 0 H HIS A 72 6.189 9.685 1.888 1.00 72.01 H new ATOM 0 HA HIS A 72 6.207 12.522 2.717 1.00 4.01 H new ATOM 0 HB2 HIS A 72 5.867 11.668 -0.162 1.00 15.11 H new ATOM 0 HB3 HIS A 72 6.229 13.262 0.471 1.00 15.11 H new ATOM 0 HD1 HIS A 72 8.586 13.959 0.156 1.00 11.35 H new ATOM 0 HD2 HIS A 72 8.203 9.800 0.481 1.00 34.20 H new ATOM 0 HE1 HIS A 72 10.921 12.996 -0.147 1.00 72.33 H new ATOM 1181 N ARG A 73 3.727 12.752 2.205 1.00 72.41 N ATOM 1182 CA ARG A 73 2.269 12.765 2.222 1.00 62.44 C ATOM 1183 C ARG A 73 1.715 13.298 0.904 1.00 51.34 C ATOM 1184 O ARG A 73 2.173 14.322 0.396 1.00 71.03 O ATOM 1185 CB ARG A 73 1.758 13.617 3.384 1.00 1.53 C ATOM 1186 CG ARG A 73 0.322 13.314 3.776 1.00 14.21 C ATOM 1187 CD ARG A 73 -0.297 14.462 4.559 1.00 4.10 C ATOM 1188 NE ARG A 73 -0.273 15.713 3.806 1.00 63.30 N ATOM 1189 CZ ARG A 73 -0.935 16.805 4.173 1.00 64.22 C ATOM 1190 NH1 ARG A 73 -1.668 16.799 5.278 1.00 71.15 N ATOM 1191 NH2 ARG A 73 -0.863 17.905 3.434 1.00 14.32 N ATOM 0 H ARG A 73 4.159 13.658 2.387 1.00 72.41 H new ATOM 0 HA ARG A 73 1.923 11.740 2.354 1.00 62.44 H new ATOM 0 HB2 ARG A 73 2.402 13.460 4.249 1.00 1.53 H new ATOM 0 HB3 ARG A 73 1.837 14.670 3.114 1.00 1.53 H new ATOM 0 HG2 ARG A 73 -0.268 13.124 2.880 1.00 14.21 H new ATOM 0 HG3 ARG A 73 0.292 12.405 4.377 1.00 14.21 H new ATOM 0 HD2 ARG A 73 -1.327 14.213 4.815 1.00 4.10 H new ATOM 0 HD3 ARG A 73 0.242 14.593 5.497 1.00 4.10 H new ATOM 0 HE ARG A 73 0.282 15.751 2.951 1.00 63.30 H new ATOM 0 HH11 ARG A 73 -1.724 15.955 5.848 1.00 71.15 H new ATOM 0 HH12 ARG A 73 -2.175 17.638 5.558 1.00 71.15 H new ATOM 0 HH21 ARG A 73 -0.299 17.912 2.584 1.00 14.32 H new ATOM 0 HH22 ARG A 73 -1.371 18.743 3.716 1.00 14.32 H new ATOM 1205 N SER A 74 0.728 12.598 0.355 1.00 62.12 N ATOM 1206 CA SER A 74 0.115 12.998 -0.905 1.00 52.32 C ATOM 1207 C SER A 74 -0.303 14.465 -0.864 1.00 53.21 C ATOM 1208 O SER A 74 -0.672 14.988 0.188 1.00 23.41 O ATOM 1209 CB SER A 74 -1.099 12.119 -1.208 1.00 31.30 C ATOM 1210 OG SER A 74 -1.415 12.142 -2.590 1.00 41.33 O ATOM 0 H SER A 74 0.336 11.750 0.764 1.00 62.12 H new ATOM 0 HA SER A 74 0.854 12.870 -1.696 1.00 52.32 H new ATOM 0 HB2 SER A 74 -0.897 11.095 -0.895 1.00 31.30 H new ATOM 0 HB3 SER A 74 -1.956 12.466 -0.630 1.00 31.30 H new ATOM 0 HG SER A 74 -1.384 11.230 -2.948 1.00 41.33 H new ATOM 1216 N ARG A 75 -0.243 15.124 -2.017 1.00 21.01 N ATOM 1217 CA ARG A 75 -0.614 16.530 -2.113 1.00 41.34 C ATOM 1218 C ARG A 75 -2.100 16.681 -2.420 1.00 32.01 C ATOM 1219 O ARG A 75 -2.764 17.580 -1.902 1.00 34.40 O ATOM 1220 CB ARG A 75 0.214 17.224 -3.196 1.00 43.54 C ATOM 1221 CG ARG A 75 -0.238 16.901 -4.610 1.00 11.41 C ATOM 1222 CD ARG A 75 0.379 17.852 -5.624 1.00 42.13 C ATOM 1223 NE ARG A 75 1.675 17.375 -6.102 1.00 51.04 N ATOM 1224 CZ ARG A 75 2.539 18.137 -6.765 1.00 34.13 C ATOM 1225 NH1 ARG A 75 2.247 19.404 -7.025 1.00 63.35 N ATOM 1226 NH2 ARG A 75 3.698 17.631 -7.167 1.00 75.25 N ATOM 0 H ARG A 75 0.059 14.706 -2.897 1.00 21.01 H new ATOM 0 HA ARG A 75 -0.410 17.000 -1.151 1.00 41.34 H new ATOM 0 HB2 ARG A 75 0.163 18.302 -3.045 1.00 43.54 H new ATOM 0 HB3 ARG A 75 1.259 16.935 -3.083 1.00 43.54 H new ATOM 0 HG2 ARG A 75 0.039 15.876 -4.856 1.00 11.41 H new ATOM 0 HG3 ARG A 75 -1.325 16.961 -4.668 1.00 11.41 H new ATOM 0 HD2 ARG A 75 -0.299 17.970 -6.470 1.00 42.13 H new ATOM 0 HD3 ARG A 75 0.499 18.836 -5.172 1.00 42.13 H new ATOM 0 HE ARG A 75 1.930 16.405 -5.917 1.00 51.04 H new ATOM 0 HH11 ARG A 75 1.358 19.796 -6.716 1.00 63.35 H new ATOM 0 HH12 ARG A 75 2.912 19.987 -7.534 1.00 63.35 H new ATOM 0 HH21 ARG A 75 3.926 16.657 -6.967 1.00 75.25 H new ATOM 0 HH22 ARG A 75 4.361 18.216 -7.676 1.00 75.25 H new ATOM 1240 N PHE A 76 -2.617 15.797 -3.266 1.00 21.40 N ATOM 1241 CA PHE A 76 -4.026 15.831 -3.643 1.00 43.41 C ATOM 1242 C PHE A 76 -4.774 14.635 -3.063 1.00 31.40 C ATOM 1243 O PHE A 76 -4.217 13.544 -2.932 1.00 55.43 O ATOM 1244 CB PHE A 76 -4.167 15.847 -5.167 1.00 21.23 C ATOM 1245 CG PHE A 76 -3.914 17.194 -5.779 1.00 71.23 C ATOM 1246 CD1 PHE A 76 -4.789 18.246 -5.556 1.00 44.05 C ATOM 1247 CD2 PHE A 76 -2.802 17.410 -6.577 1.00 64.43 C ATOM 1248 CE1 PHE A 76 -4.558 19.488 -6.119 1.00 12.24 C ATOM 1249 CE2 PHE A 76 -2.566 18.649 -7.141 1.00 74.14 C ATOM 1250 CZ PHE A 76 -3.447 19.690 -6.913 1.00 24.41 C ATOM 0 H PHE A 76 -2.082 15.048 -3.704 1.00 21.40 H new ATOM 0 HA PHE A 76 -4.464 16.742 -3.235 1.00 43.41 H new ATOM 0 HB2 PHE A 76 -3.471 15.126 -5.596 1.00 21.23 H new ATOM 0 HB3 PHE A 76 -5.171 15.518 -5.434 1.00 21.23 H new ATOM 0 HD1 PHE A 76 -5.660 18.094 -4.936 1.00 44.05 H new ATOM 0 HD2 PHE A 76 -2.111 16.600 -6.760 1.00 64.43 H new ATOM 0 HE1 PHE A 76 -5.247 20.300 -5.937 1.00 12.24 H new ATOM 0 HE2 PHE A 76 -1.694 18.804 -7.759 1.00 74.14 H new ATOM 0 HZ PHE A 76 -3.266 20.659 -7.355 1.00 24.41 H new ATOM 1260 N ARG A 77 -6.040 14.847 -2.717 1.00 45.14 N ATOM 1261 CA ARG A 77 -6.865 13.788 -2.150 1.00 60.22 C ATOM 1262 C ARG A 77 -7.332 12.822 -3.235 1.00 50.35 C ATOM 1263 O ARG A 77 -7.612 13.228 -4.364 1.00 4.30 O ATOM 1264 CB ARG A 77 -8.074 14.385 -1.428 1.00 30.10 C ATOM 1265 CG ARG A 77 -7.749 14.942 -0.052 1.00 40.43 C ATOM 1266 CD ARG A 77 -8.971 14.944 0.851 1.00 2.24 C ATOM 1267 NE ARG A 77 -9.886 16.037 0.533 1.00 64.21 N ATOM 1268 CZ ARG A 77 -11.142 16.093 0.964 1.00 42.42 C ATOM 1269 NH1 ARG A 77 -11.628 15.124 1.727 1.00 72.14 N ATOM 1270 NH2 ARG A 77 -11.913 17.121 0.632 1.00 62.44 N ATOM 0 H ARG A 77 -6.516 15.743 -2.820 1.00 45.14 H new ATOM 0 HA ARG A 77 -6.259 13.235 -1.432 1.00 60.22 H new ATOM 0 HB2 ARG A 77 -8.496 15.180 -2.042 1.00 30.10 H new ATOM 0 HB3 ARG A 77 -8.842 13.618 -1.328 1.00 30.10 H new ATOM 0 HG2 ARG A 77 -6.959 14.347 0.405 1.00 40.43 H new ATOM 0 HG3 ARG A 77 -7.367 15.958 -0.151 1.00 40.43 H new ATOM 0 HD2 ARG A 77 -9.495 13.993 0.754 1.00 2.24 H new ATOM 0 HD3 ARG A 77 -8.653 15.028 1.890 1.00 2.24 H new ATOM 0 HE ARG A 77 -9.542 16.799 -0.052 1.00 64.21 H new ATOM 0 HH11 ARG A 77 -11.038 14.333 1.985 1.00 72.14 H new ATOM 0 HH12 ARG A 77 -12.592 15.169 2.056 1.00 72.14 H new ATOM 0 HH21 ARG A 77 -11.542 17.869 0.046 1.00 62.44 H new ATOM 0 HH22 ARG A 77 -12.877 17.163 0.963 1.00 62.44 H new ATOM 1284 N VAL A 78 -7.414 11.542 -2.886 1.00 73.03 N ATOM 1285 CA VAL A 78 -7.848 10.518 -3.830 1.00 14.30 C ATOM 1286 C VAL A 78 -8.608 9.403 -3.120 1.00 51.23 C ATOM 1287 O VAL A 78 -8.403 9.135 -1.936 1.00 21.30 O ATOM 1288 CB VAL A 78 -6.653 9.909 -4.587 1.00 15.42 C ATOM 1289 CG1 VAL A 78 -5.579 10.961 -4.824 1.00 33.40 C ATOM 1290 CG2 VAL A 78 -6.088 8.722 -3.822 1.00 11.54 C ATOM 0 H VAL A 78 -7.186 11.189 -1.957 1.00 73.03 H new ATOM 0 HA VAL A 78 -8.510 11.007 -4.545 1.00 14.30 H new ATOM 0 HB VAL A 78 -7.001 9.555 -5.557 1.00 15.42 H new ATOM 0 HG11 VAL A 78 -4.742 10.513 -5.360 1.00 33.40 H new ATOM 0 HG12 VAL A 78 -5.993 11.777 -5.416 1.00 33.40 H new ATOM 0 HG13 VAL A 78 -5.231 11.348 -3.866 1.00 33.40 H new ATOM 0 HG21 VAL A 78 -5.244 8.304 -4.371 1.00 11.54 H new ATOM 0 HG22 VAL A 78 -5.754 9.049 -2.837 1.00 11.54 H new ATOM 0 HG23 VAL A 78 -6.860 7.961 -3.709 1.00 11.54 H new ATOM 1300 N PRO A 79 -9.506 8.737 -3.859 1.00 35.14 N ATOM 1301 CA PRO A 79 -10.315 7.638 -3.321 1.00 73.13 C ATOM 1302 C PRO A 79 -9.483 6.393 -3.033 1.00 52.30 C ATOM 1303 O PRO A 79 -8.849 5.836 -3.930 1.00 73.31 O ATOM 1304 CB PRO A 79 -11.324 7.360 -4.438 1.00 63.14 C ATOM 1305 CG PRO A 79 -10.651 7.829 -5.682 1.00 62.23 C ATOM 1306 CD PRO A 79 -9.803 9.003 -5.277 1.00 22.20 C ATOM 0 HA PRO A 79 -10.775 7.899 -2.368 1.00 73.13 H new ATOM 0 HB2 PRO A 79 -11.568 6.299 -4.496 1.00 63.14 H new ATOM 0 HB3 PRO A 79 -12.259 7.894 -4.269 1.00 63.14 H new ATOM 0 HG2 PRO A 79 -10.040 7.038 -6.117 1.00 62.23 H new ATOM 0 HG3 PRO A 79 -11.383 8.118 -6.436 1.00 62.23 H new ATOM 0 HD2 PRO A 79 -8.893 9.066 -5.873 1.00 22.20 H new ATOM 0 HD3 PRO A 79 -10.334 9.946 -5.406 1.00 22.20 H new ATOM 1314 N LEU A 80 -9.489 5.961 -1.777 1.00 54.42 N ATOM 1315 CA LEU A 80 -8.734 4.781 -1.369 1.00 74.44 C ATOM 1316 C LEU A 80 -9.638 3.776 -0.663 1.00 25.53 C ATOM 1317 O LEU A 80 -10.804 4.058 -0.389 1.00 33.42 O ATOM 1318 CB LEU A 80 -7.580 5.182 -0.450 1.00 5.02 C ATOM 1319 CG LEU A 80 -7.880 6.289 0.561 1.00 51.25 C ATOM 1320 CD1 LEU A 80 -8.284 5.694 1.901 1.00 62.04 C ATOM 1321 CD2 LEU A 80 -6.674 7.202 0.723 1.00 54.55 C ATOM 0 H LEU A 80 -10.009 6.410 -1.023 1.00 54.42 H new ATOM 0 HA LEU A 80 -8.328 4.311 -2.265 1.00 74.44 H new ATOM 0 HB2 LEU A 80 -7.253 4.297 0.097 1.00 5.02 H new ATOM 0 HB3 LEU A 80 -6.742 5.501 -1.070 1.00 5.02 H new ATOM 0 HG LEU A 80 -8.713 6.882 0.185 1.00 51.25 H new ATOM 0 HD11 LEU A 80 -8.494 6.497 2.607 1.00 62.04 H new ATOM 0 HD12 LEU A 80 -9.176 5.081 1.773 1.00 62.04 H new ATOM 0 HD13 LEU A 80 -7.472 5.076 2.284 1.00 62.04 H new ATOM 0 HD21 LEU A 80 -6.904 7.984 1.446 1.00 54.55 H new ATOM 0 HD22 LEU A 80 -5.822 6.621 1.076 1.00 54.55 H new ATOM 0 HD23 LEU A 80 -6.430 7.656 -0.237 1.00 54.55 H new ATOM 1333 N LEU A 81 -9.090 2.601 -0.369 1.00 3.12 N ATOM 1334 CA LEU A 81 -9.845 1.552 0.309 1.00 52.33 C ATOM 1335 C LEU A 81 -9.125 1.094 1.574 1.00 54.14 C ATOM 1336 O LEU A 81 -7.896 1.032 1.614 1.00 40.13 O ATOM 1337 CB LEU A 81 -10.058 0.364 -0.630 1.00 31.25 C ATOM 1338 CG LEU A 81 -11.337 -0.445 -0.408 1.00 13.14 C ATOM 1339 CD1 LEU A 81 -11.352 -1.047 0.989 1.00 71.23 C ATOM 1340 CD2 LEU A 81 -12.564 0.427 -0.628 1.00 31.12 C ATOM 0 H LEU A 81 -8.126 2.351 -0.589 1.00 3.12 H new ATOM 0 HA LEU A 81 -10.815 1.961 0.594 1.00 52.33 H new ATOM 0 HB2 LEU A 81 -10.058 0.733 -1.656 1.00 31.25 H new ATOM 0 HB3 LEU A 81 -9.205 -0.308 -0.533 1.00 31.25 H new ATOM 0 HG LEU A 81 -11.360 -1.259 -1.132 1.00 13.14 H new ATOM 0 HD11 LEU A 81 -12.269 -1.619 1.129 1.00 71.23 H new ATOM 0 HD12 LEU A 81 -10.492 -1.705 1.111 1.00 71.23 H new ATOM 0 HD13 LEU A 81 -11.306 -0.249 1.730 1.00 71.23 H new ATOM 0 HD21 LEU A 81 -13.465 -0.165 -0.466 1.00 31.12 H new ATOM 0 HD22 LEU A 81 -12.547 1.262 0.073 1.00 31.12 H new ATOM 0 HD23 LEU A 81 -12.560 0.810 -1.649 1.00 31.12 H new ATOM 1352 N HIS A 82 -9.900 0.773 2.605 1.00 22.31 N ATOM 1353 CA HIS A 82 -9.337 0.317 3.871 1.00 22.41 C ATOM 1354 C HIS A 82 -9.672 -1.151 4.118 1.00 62.41 C ATOM 1355 O HIS A 82 -10.679 -1.660 3.624 1.00 31.13 O ATOM 1356 CB HIS A 82 -9.861 1.173 5.023 1.00 12.15 C ATOM 1357 CG HIS A 82 -9.299 2.561 5.044 1.00 61.34 C ATOM 1358 ND1 HIS A 82 -8.585 3.068 6.109 1.00 2.51 N ATOM 1359 CD2 HIS A 82 -9.347 3.549 4.120 1.00 22.32 C ATOM 1360 CE1 HIS A 82 -8.220 4.309 5.841 1.00 63.52 C ATOM 1361 NE2 HIS A 82 -8.669 4.625 4.639 1.00 22.21 N ATOM 0 H HIS A 82 -10.919 0.820 2.589 1.00 22.31 H new ATOM 0 HA HIS A 82 -8.253 0.419 3.816 1.00 22.41 H new ATOM 0 HB2 HIS A 82 -10.947 1.231 4.956 1.00 12.15 H new ATOM 0 HB3 HIS A 82 -9.626 0.681 5.967 1.00 12.15 H new ATOM 0 HD1 HIS A 82 -8.372 2.564 6.970 1.00 2.51 H new ATOM 0 HD2 HIS A 82 -9.829 3.500 3.155 1.00 22.32 H new ATOM 0 HE1 HIS A 82 -7.651 4.955 6.493 1.00 63.52 H new ATOM 1370 N CYS A 83 -8.822 -1.826 4.883 1.00 64.54 N ATOM 1371 CA CYS A 83 -9.025 -3.236 5.194 1.00 72.35 C ATOM 1372 C CYS A 83 -8.285 -3.624 6.470 1.00 31.31 C ATOM 1373 O CYS A 83 -7.057 -3.559 6.532 1.00 11.30 O ATOM 1374 CB CYS A 83 -8.553 -4.111 4.031 1.00 13.51 C ATOM 1375 SG CYS A 83 -9.649 -4.068 2.576 1.00 65.42 S ATOM 0 H CYS A 83 -7.985 -1.419 5.300 1.00 64.54 H new ATOM 0 HA CYS A 83 -10.092 -3.397 5.350 1.00 72.35 H new ATOM 0 HB2 CYS A 83 -7.555 -3.791 3.731 1.00 13.51 H new ATOM 0 HB3 CYS A 83 -8.466 -5.141 4.377 1.00 13.51 H new ATOM 1380 N ASP A 84 -9.039 -4.028 7.486 1.00 22.43 N ATOM 1381 CA ASP A 84 -8.456 -4.428 8.761 1.00 43.15 C ATOM 1382 C ASP A 84 -8.901 -5.836 9.144 1.00 4.22 C ATOM 1383 O ASP A 84 -10.094 -6.142 9.151 1.00 4.41 O ATOM 1384 CB ASP A 84 -8.848 -3.439 9.859 1.00 62.11 C ATOM 1385 CG ASP A 84 -8.262 -3.809 11.207 1.00 14.33 C ATOM 1386 OD1 ASP A 84 -7.217 -4.491 11.234 1.00 22.31 O ATOM 1387 OD2 ASP A 84 -8.849 -3.413 12.237 1.00 20.43 O ATOM 0 H ASP A 84 -10.057 -4.087 7.451 1.00 22.43 H new ATOM 0 HA ASP A 84 -7.371 -4.426 8.653 1.00 43.15 H new ATOM 0 HB2 ASP A 84 -8.511 -2.440 9.581 1.00 62.11 H new ATOM 0 HB3 ASP A 84 -9.934 -3.399 9.937 1.00 62.11 H new ATOM 1392 N LEU A 85 -7.934 -6.690 9.463 1.00 41.32 N ATOM 1393 CA LEU A 85 -8.225 -8.067 9.847 1.00 70.30 C ATOM 1394 C LEU A 85 -9.372 -8.120 10.851 1.00 20.34 C ATOM 1395 O LEU A 85 -9.175 -7.893 12.045 1.00 53.41 O ATOM 1396 CB LEU A 85 -6.980 -8.726 10.442 1.00 11.34 C ATOM 1397 CG LEU A 85 -7.143 -10.174 10.906 1.00 63.43 C ATOM 1398 CD1 LEU A 85 -7.356 -11.095 9.715 1.00 43.33 C ATOM 1399 CD2 LEU A 85 -5.931 -10.615 11.714 1.00 73.53 C ATOM 0 H LEU A 85 -6.942 -6.453 9.463 1.00 41.32 H new ATOM 0 HA LEU A 85 -8.524 -8.613 8.952 1.00 70.30 H new ATOM 0 HB2 LEU A 85 -6.184 -8.692 9.698 1.00 11.34 H new ATOM 0 HB3 LEU A 85 -6.648 -8.129 11.291 1.00 11.34 H new ATOM 0 HG LEU A 85 -8.023 -10.233 11.547 1.00 63.43 H new ATOM 0 HD11 LEU A 85 -7.470 -12.121 10.064 1.00 43.33 H new ATOM 0 HD12 LEU A 85 -8.255 -10.793 9.177 1.00 43.33 H new ATOM 0 HD13 LEU A 85 -6.496 -11.032 9.048 1.00 43.33 H new ATOM 0 HD21 LEU A 85 -6.064 -11.648 12.036 1.00 73.53 H new ATOM 0 HD22 LEU A 85 -5.036 -10.540 11.097 1.00 73.53 H new ATOM 0 HD23 LEU A 85 -5.824 -9.973 12.589 1.00 73.53 H new ATOM 1411 N ILE A 86 -10.568 -8.426 10.360 1.00 33.44 N ATOM 1412 CA ILE A 86 -11.745 -8.514 11.215 1.00 14.11 C ATOM 1413 C ILE A 86 -11.663 -9.721 12.143 1.00 71.54 C ATOM 1414 O ILE A 86 -12.556 -9.955 12.955 1.00 11.01 O ATOM 1415 CB ILE A 86 -13.039 -8.605 10.385 1.00 70.44 C ATOM 1416 CG1 ILE A 86 -13.148 -7.409 9.436 1.00 23.24 C ATOM 1417 CG2 ILE A 86 -14.252 -8.674 11.300 1.00 22.43 C ATOM 1418 CD1 ILE A 86 -14.329 -7.492 8.494 1.00 10.42 C ATOM 0 H ILE A 86 -10.747 -8.617 9.374 1.00 33.44 H new ATOM 0 HA ILE A 86 -11.769 -7.602 11.812 1.00 14.11 H new ATOM 0 HB ILE A 86 -13.006 -9.517 9.788 1.00 70.44 H new ATOM 0 HG12 ILE A 86 -13.226 -6.495 10.024 1.00 23.24 H new ATOM 0 HG13 ILE A 86 -12.231 -7.335 8.851 1.00 23.24 H new ATOM 0 HG21 ILE A 86 -15.159 -8.738 10.698 1.00 22.43 H new ATOM 0 HG22 ILE A 86 -14.177 -9.555 11.938 1.00 22.43 H new ATOM 0 HG23 ILE A 86 -14.291 -7.779 11.921 1.00 22.43 H new ATOM 0 HD11 ILE A 86 -14.344 -6.612 7.851 1.00 10.42 H new ATOM 0 HD12 ILE A 86 -14.242 -8.389 7.880 1.00 10.42 H new ATOM 0 HD13 ILE A 86 -15.253 -7.535 9.071 1.00 10.42 H new ATOM 1430 N ASN A 87 -10.583 -10.485 12.015 1.00 5.42 N ATOM 1431 CA ASN A 87 -10.382 -11.669 12.843 1.00 75.11 C ATOM 1432 C ASN A 87 -9.046 -11.601 13.575 1.00 13.53 C ATOM 1433 O ASN A 87 -8.034 -12.138 13.124 1.00 23.44 O ATOM 1434 CB ASN A 87 -10.442 -12.934 11.984 1.00 55.40 C ATOM 1435 CG ASN A 87 -9.874 -12.717 10.595 1.00 55.44 C ATOM 1436 OD1 ASN A 87 -10.449 -11.989 9.784 1.00 43.51 O ATOM 1437 ND2 ASN A 87 -8.740 -13.347 10.313 1.00 3.41 N ATOM 0 H ASN A 87 -9.834 -10.306 11.346 1.00 5.42 H new ATOM 0 HA ASN A 87 -11.180 -11.703 13.584 1.00 75.11 H new ATOM 0 HB2 ASN A 87 -9.889 -13.733 12.479 1.00 55.40 H new ATOM 0 HB3 ASN A 87 -11.477 -13.266 11.903 1.00 55.40 H new ATOM 0 HD21 ASN A 87 -8.311 -13.238 9.394 1.00 3.41 H new ATOM 0 HD22 ASN A 87 -8.298 -13.940 11.015 1.00 3.41 H new ATOM 1444 N PRO A 88 -9.040 -10.925 14.734 1.00 12.24 N ATOM 1445 CA PRO A 88 -7.835 -10.772 15.555 1.00 52.14 C ATOM 1446 C PRO A 88 -7.405 -12.082 16.205 1.00 74.24 C ATOM 1447 O PRO A 88 -8.144 -12.667 16.995 1.00 73.33 O ATOM 1448 CB PRO A 88 -8.259 -9.760 16.623 1.00 74.25 C ATOM 1449 CG PRO A 88 -9.739 -9.907 16.717 1.00 11.31 C ATOM 1450 CD PRO A 88 -10.210 -10.259 15.333 1.00 65.50 C ATOM 0 HA PRO A 88 -6.977 -10.454 14.963 1.00 52.14 H new ATOM 0 HB2 PRO A 88 -7.779 -9.969 17.579 1.00 74.25 H new ATOM 0 HB3 PRO A 88 -7.979 -8.745 16.340 1.00 74.25 H new ATOM 0 HG2 PRO A 88 -10.009 -10.685 17.431 1.00 11.31 H new ATOM 0 HG3 PRO A 88 -10.202 -8.983 17.063 1.00 11.31 H new ATOM 0 HD2 PRO A 88 -11.078 -10.918 15.359 1.00 65.50 H new ATOM 0 HD3 PRO A 88 -10.500 -9.372 14.769 1.00 65.50 H new ATOM 1458 N GLY A 89 -6.203 -12.539 15.866 1.00 11.12 N ATOM 1459 CA GLY A 89 -5.696 -13.778 16.426 1.00 1.32 C ATOM 1460 C GLY A 89 -5.722 -14.919 15.428 1.00 12.23 C ATOM 1461 O GLY A 89 -5.251 -16.017 15.720 1.00 61.52 O ATOM 0 H GLY A 89 -5.572 -12.073 15.214 1.00 11.12 H new ATOM 0 HA2 GLY A 89 -4.674 -13.625 16.772 1.00 1.32 H new ATOM 0 HA3 GLY A 89 -6.291 -14.049 17.298 1.00 1.32 H new ATOM 1465 N ALA A 90 -6.279 -14.659 14.250 1.00 64.23 N ATOM 1466 CA ALA A 90 -6.365 -15.673 13.206 1.00 1.13 C ATOM 1467 C ALA A 90 -5.500 -15.302 12.007 1.00 64.33 C ATOM 1468 O ALA A 90 -5.686 -14.249 11.398 1.00 74.42 O ATOM 1469 CB ALA A 90 -7.811 -15.865 12.776 1.00 34.31 C ATOM 0 H ALA A 90 -6.677 -13.755 13.995 1.00 64.23 H new ATOM 0 HA ALA A 90 -5.990 -16.612 13.614 1.00 1.13 H new ATOM 0 HB1 ALA A 90 -7.861 -16.625 11.996 1.00 34.31 H new ATOM 0 HB2 ALA A 90 -8.406 -16.184 13.632 1.00 34.31 H new ATOM 0 HB3 ALA A 90 -8.204 -14.924 12.391 1.00 34.31 H new ATOM 1475 N GLN A 91 -4.553 -16.174 11.674 1.00 3.23 N ATOM 1476 CA GLN A 91 -3.657 -15.936 10.548 1.00 51.33 C ATOM 1477 C GLN A 91 -3.815 -17.020 9.489 1.00 72.44 C ATOM 1478 O GLN A 91 -2.868 -17.742 9.179 1.00 44.24 O ATOM 1479 CB GLN A 91 -2.205 -15.880 11.026 1.00 32.44 C ATOM 1480 CG GLN A 91 -1.744 -14.484 11.412 1.00 63.02 C ATOM 1481 CD GLN A 91 -0.659 -14.499 12.470 1.00 1.11 C ATOM 1482 OE1 GLN A 91 0.197 -15.385 12.487 1.00 74.12 O ATOM 1483 NE2 GLN A 91 -0.688 -13.516 13.362 1.00 30.53 N ATOM 0 H GLN A 91 -4.387 -17.051 12.168 1.00 3.23 H new ATOM 0 HA GLN A 91 -3.922 -14.977 10.102 1.00 51.33 H new ATOM 0 HB2 GLN A 91 -2.088 -16.542 11.884 1.00 32.44 H new ATOM 0 HB3 GLN A 91 -1.557 -16.262 10.237 1.00 32.44 H new ATOM 0 HG2 GLN A 91 -1.374 -13.970 10.525 1.00 63.02 H new ATOM 0 HG3 GLN A 91 -2.596 -13.913 11.779 1.00 63.02 H new ATOM 0 HE21 GLN A 91 -1.415 -12.802 13.311 1.00 30.53 H new ATOM 0 HE22 GLN A 91 0.017 -13.474 14.098 1.00 30.53 H new ATOM 1492 N ASN A 92 -5.019 -17.130 8.935 1.00 0.41 N ATOM 1493 CA ASN A 92 -5.301 -18.129 7.910 1.00 55.11 C ATOM 1494 C ASN A 92 -5.807 -17.467 6.632 1.00 61.31 C ATOM 1495 O ASN A 92 -6.999 -17.196 6.491 1.00 34.11 O ATOM 1496 CB ASN A 92 -6.334 -19.135 8.420 1.00 73.11 C ATOM 1497 CG ASN A 92 -5.776 -20.038 9.503 1.00 13.41 C ATOM 1498 OD1 ASN A 92 -5.851 -21.263 9.405 1.00 35.35 O ATOM 1499 ND2 ASN A 92 -5.213 -19.435 10.544 1.00 44.21 N ATOM 0 H ASN A 92 -5.814 -16.540 9.179 1.00 0.41 H new ATOM 0 HA ASN A 92 -4.373 -18.655 7.684 1.00 55.11 H new ATOM 0 HB2 ASN A 92 -7.199 -18.598 8.809 1.00 73.11 H new ATOM 0 HB3 ASN A 92 -6.685 -19.745 7.588 1.00 73.11 H new ATOM 0 HD21 ASN A 92 -4.821 -19.990 11.304 1.00 44.21 H new ATOM 0 HD22 ASN A 92 -5.173 -18.417 10.583 1.00 44.21 H new ATOM 1506 N ILE A 93 -4.892 -17.211 5.702 1.00 25.45 N ATOM 1507 CA ILE A 93 -5.246 -16.584 4.435 1.00 0.53 C ATOM 1508 C ILE A 93 -6.546 -17.155 3.883 1.00 32.34 C ATOM 1509 O ILE A 93 -7.282 -16.474 3.168 1.00 30.33 O ATOM 1510 CB ILE A 93 -4.132 -16.765 3.387 1.00 24.41 C ATOM 1511 CG1 ILE A 93 -3.725 -18.237 3.293 1.00 23.44 C ATOM 1512 CG2 ILE A 93 -2.931 -15.900 3.736 1.00 41.43 C ATOM 1513 CD1 ILE A 93 -2.745 -18.523 2.177 1.00 3.23 C ATOM 0 H ILE A 93 -3.901 -17.428 5.803 1.00 25.45 H new ATOM 0 HA ILE A 93 -5.376 -15.520 4.635 1.00 0.53 H new ATOM 0 HB ILE A 93 -4.513 -16.449 2.416 1.00 24.41 H new ATOM 0 HG12 ILE A 93 -3.284 -18.545 4.241 1.00 23.44 H new ATOM 0 HG13 ILE A 93 -4.618 -18.844 3.145 1.00 23.44 H new ATOM 0 HG21 ILE A 93 -2.152 -16.039 2.986 1.00 41.43 H new ATOM 0 HG22 ILE A 93 -3.231 -14.852 3.758 1.00 41.43 H new ATOM 0 HG23 ILE A 93 -2.547 -16.188 4.715 1.00 41.43 H new ATOM 0 HD11 ILE A 93 -2.501 -19.585 2.170 1.00 3.23 H new ATOM 0 HD12 ILE A 93 -3.191 -18.247 1.222 1.00 3.23 H new ATOM 0 HD13 ILE A 93 -1.835 -17.943 2.334 1.00 3.23 H new ATOM 1525 N SER A 94 -6.825 -18.411 4.219 1.00 2.14 N ATOM 1526 CA SER A 94 -8.037 -19.076 3.756 1.00 42.25 C ATOM 1527 C SER A 94 -9.256 -18.588 4.532 1.00 4.34 C ATOM 1528 O SER A 94 -10.336 -18.413 3.969 1.00 41.54 O ATOM 1529 CB SER A 94 -7.900 -20.593 3.901 1.00 3.41 C ATOM 1530 OG SER A 94 -6.811 -21.082 3.136 1.00 31.05 O ATOM 0 H SER A 94 -6.227 -18.988 4.811 1.00 2.14 H new ATOM 0 HA SER A 94 -8.176 -18.830 2.703 1.00 42.25 H new ATOM 0 HB2 SER A 94 -7.756 -20.850 4.950 1.00 3.41 H new ATOM 0 HB3 SER A 94 -8.822 -21.077 3.578 1.00 3.41 H new ATOM 0 HG SER A 94 -6.743 -22.053 3.247 1.00 31.05 H new ATOM 1536 N ASN A 95 -9.074 -18.369 5.831 1.00 64.52 N ATOM 1537 CA ASN A 95 -10.159 -17.902 6.687 1.00 51.14 C ATOM 1538 C ASN A 95 -9.888 -16.485 7.182 1.00 1.34 C ATOM 1539 O ASN A 95 -10.471 -16.039 8.171 1.00 70.42 O ATOM 1540 CB ASN A 95 -10.339 -18.845 7.877 1.00 21.54 C ATOM 1541 CG ASN A 95 -10.767 -20.237 7.453 1.00 2.22 C ATOM 1542 OD1 ASN A 95 -10.025 -20.946 6.773 1.00 43.34 O ATOM 1543 ND2 ASN A 95 -11.969 -20.635 7.854 1.00 70.42 N ATOM 0 H ASN A 95 -8.186 -18.507 6.313 1.00 64.52 H new ATOM 0 HA ASN A 95 -11.076 -17.893 6.098 1.00 51.14 H new ATOM 0 HB2 ASN A 95 -9.403 -18.909 8.431 1.00 21.54 H new ATOM 0 HB3 ASN A 95 -11.084 -18.430 8.556 1.00 21.54 H new ATOM 0 HD21 ASN A 95 -12.311 -21.562 7.599 1.00 70.42 H new ATOM 0 HD22 ASN A 95 -12.550 -20.014 8.417 1.00 70.42 H new ATOM 1550 N CYS A 96 -8.999 -15.781 6.489 1.00 32.52 N ATOM 1551 CA CYS A 96 -8.650 -14.414 6.858 1.00 22.32 C ATOM 1552 C CYS A 96 -9.594 -13.415 6.196 1.00 14.13 C ATOM 1553 O CYS A 96 -9.488 -13.142 5.000 1.00 12.51 O ATOM 1554 CB CYS A 96 -7.205 -14.110 6.457 1.00 42.30 C ATOM 1555 SG CYS A 96 -6.371 -12.907 7.542 1.00 23.04 S ATOM 0 H CYS A 96 -8.507 -16.135 5.669 1.00 32.52 H new ATOM 0 HA CYS A 96 -8.748 -14.318 7.939 1.00 22.32 H new ATOM 0 HB2 CYS A 96 -6.636 -15.039 6.457 1.00 42.30 H new ATOM 0 HB3 CYS A 96 -7.195 -13.730 5.435 1.00 42.30 H new ATOM 1560 N ARG A 97 -10.518 -12.872 6.983 1.00 41.21 N ATOM 1561 CA ARG A 97 -11.481 -11.903 6.475 1.00 34.42 C ATOM 1562 C ARG A 97 -10.992 -10.477 6.707 1.00 1.00 C ATOM 1563 O ARG A 97 -10.289 -10.201 7.680 1.00 24.41 O ATOM 1564 CB ARG A 97 -12.841 -12.104 7.147 1.00 43.03 C ATOM 1565 CG ARG A 97 -13.487 -13.442 6.826 1.00 72.22 C ATOM 1566 CD ARG A 97 -14.364 -13.354 5.587 1.00 72.54 C ATOM 1567 NE ARG A 97 -15.132 -14.577 5.372 1.00 60.54 N ATOM 1568 CZ ARG A 97 -16.271 -14.620 4.689 1.00 4.21 C ATOM 1569 NH1 ARG A 97 -16.770 -13.514 4.157 1.00 13.23 N ATOM 1570 NH2 ARG A 97 -16.911 -15.772 4.537 1.00 34.31 N ATOM 0 H ARG A 97 -10.619 -13.087 7.975 1.00 41.21 H new ATOM 0 HA ARG A 97 -11.587 -12.061 5.402 1.00 34.42 H new ATOM 0 HB2 ARG A 97 -12.719 -12.019 8.227 1.00 43.03 H new ATOM 0 HB3 ARG A 97 -13.512 -11.303 6.837 1.00 43.03 H new ATOM 0 HG2 ARG A 97 -12.713 -14.194 6.672 1.00 72.22 H new ATOM 0 HG3 ARG A 97 -14.086 -13.771 7.675 1.00 72.22 H new ATOM 0 HD2 ARG A 97 -15.047 -12.510 5.685 1.00 72.54 H new ATOM 0 HD3 ARG A 97 -13.740 -13.160 4.714 1.00 72.54 H new ATOM 0 HE ARG A 97 -14.774 -15.446 5.768 1.00 60.54 H new ATOM 0 HH11 ARG A 97 -16.280 -12.627 4.271 1.00 13.23 H new ATOM 0 HH12 ARG A 97 -17.644 -13.550 3.633 1.00 13.23 H new ATOM 0 HH21 ARG A 97 -16.529 -16.625 4.945 1.00 34.31 H new ATOM 0 HH22 ARG A 97 -17.785 -15.804 4.013 1.00 34.31 H new ATOM 1584 N TYR A 98 -11.368 -9.574 5.808 1.00 74.34 N ATOM 1585 CA TYR A 98 -10.967 -8.177 5.913 1.00 43.21 C ATOM 1586 C TYR A 98 -12.186 -7.265 6.003 1.00 50.51 C ATOM 1587 O TYR A 98 -13.268 -7.607 5.527 1.00 45.41 O ATOM 1588 CB TYR A 98 -10.106 -7.780 4.713 1.00 73.53 C ATOM 1589 CG TYR A 98 -8.668 -8.233 4.822 1.00 64.55 C ATOM 1590 CD1 TYR A 98 -7.957 -8.075 6.004 1.00 34.43 C ATOM 1591 CD2 TYR A 98 -8.020 -8.819 3.741 1.00 72.12 C ATOM 1592 CE1 TYR A 98 -6.643 -8.487 6.109 1.00 50.14 C ATOM 1593 CE2 TYR A 98 -6.706 -9.235 3.836 1.00 50.22 C ATOM 1594 CZ TYR A 98 -6.021 -9.067 5.022 1.00 32.42 C ATOM 1595 OH TYR A 98 -4.713 -9.479 5.120 1.00 2.33 O ATOM 0 H TYR A 98 -11.951 -9.785 4.998 1.00 74.34 H new ATOM 0 HA TYR A 98 -10.382 -8.061 6.825 1.00 43.21 H new ATOM 0 HB2 TYR A 98 -10.543 -8.202 3.808 1.00 73.53 H new ATOM 0 HB3 TYR A 98 -10.129 -6.696 4.603 1.00 73.53 H new ATOM 0 HD1 TYR A 98 -8.440 -7.622 6.857 1.00 34.43 H new ATOM 0 HD2 TYR A 98 -8.553 -8.951 2.811 1.00 72.12 H new ATOM 0 HE1 TYR A 98 -6.105 -8.356 7.036 1.00 50.14 H new ATOM 0 HE2 TYR A 98 -6.218 -9.689 2.987 1.00 50.22 H new ATOM 0 HH TYR A 98 -4.685 -10.406 5.438 1.00 2.33 H new ATOM 1605 N ALA A 99 -12.002 -6.100 6.617 1.00 2.33 N ATOM 1606 CA ALA A 99 -13.084 -5.136 6.768 1.00 0.34 C ATOM 1607 C ALA A 99 -12.966 -4.012 5.745 1.00 24.23 C ATOM 1608 O ALA A 99 -12.177 -3.084 5.917 1.00 64.25 O ATOM 1609 CB ALA A 99 -13.092 -4.568 8.180 1.00 42.20 C ATOM 0 H ALA A 99 -11.113 -5.802 7.018 1.00 2.33 H new ATOM 0 HA ALA A 99 -14.026 -5.655 6.591 1.00 0.34 H new ATOM 0 HB1 ALA A 99 -13.905 -3.849 8.278 1.00 42.20 H new ATOM 0 HB2 ALA A 99 -13.234 -5.377 8.897 1.00 42.20 H new ATOM 0 HB3 ALA A 99 -12.142 -4.071 8.377 1.00 42.20 H new ATOM 1615 N ASP A 100 -13.755 -4.104 4.680 1.00 24.41 N ATOM 1616 CA ASP A 100 -13.738 -3.095 3.628 1.00 42.35 C ATOM 1617 C ASP A 100 -14.311 -1.774 4.132 1.00 23.14 C ATOM 1618 O ASP A 100 -15.358 -1.747 4.778 1.00 72.21 O ATOM 1619 CB ASP A 100 -14.534 -3.579 2.415 1.00 64.54 C ATOM 1620 CG ASP A 100 -16.019 -3.681 2.700 1.00 61.44 C ATOM 1621 OD1 ASP A 100 -16.382 -3.958 3.861 1.00 0.53 O ATOM 1622 OD2 ASP A 100 -16.819 -3.485 1.760 1.00 62.51 O ATOM 0 H ASP A 100 -14.414 -4.867 4.523 1.00 24.41 H new ATOM 0 HA ASP A 100 -12.702 -2.932 3.332 1.00 42.35 H new ATOM 0 HB2 ASP A 100 -14.373 -2.895 1.582 1.00 64.54 H new ATOM 0 HB3 ASP A 100 -14.159 -4.554 2.104 1.00 64.54 H new ATOM 1627 N ARG A 101 -13.616 -0.681 3.834 1.00 3.33 N ATOM 1628 CA ARG A 101 -14.054 0.643 4.260 1.00 5.20 C ATOM 1629 C ARG A 101 -13.600 1.711 3.270 1.00 62.43 C ATOM 1630 O ARG A 101 -12.429 2.088 3.218 1.00 3.11 O ATOM 1631 CB ARG A 101 -13.508 0.960 5.654 1.00 42.14 C ATOM 1632 CG ARG A 101 -14.432 0.532 6.782 1.00 55.51 C ATOM 1633 CD ARG A 101 -13.790 0.753 8.142 1.00 3.01 C ATOM 1634 NE ARG A 101 -14.764 0.675 9.228 1.00 71.35 N ATOM 1635 CZ ARG A 101 -14.538 1.135 10.452 1.00 2.12 C ATOM 1636 NH1 ARG A 101 -13.378 1.703 10.747 1.00 2.50 N ATOM 1637 NH2 ARG A 101 -15.475 1.026 11.387 1.00 55.23 N ATOM 0 H ARG A 101 -12.747 -0.686 3.299 1.00 3.33 H new ATOM 0 HA ARG A 101 -15.143 0.644 4.294 1.00 5.20 H new ATOM 0 HB2 ARG A 101 -12.544 0.466 5.778 1.00 42.14 H new ATOM 0 HB3 ARG A 101 -13.329 2.033 5.730 1.00 42.14 H new ATOM 0 HG2 ARG A 101 -15.364 1.094 6.723 1.00 55.51 H new ATOM 0 HG3 ARG A 101 -14.687 -0.521 6.665 1.00 55.51 H new ATOM 0 HD2 ARG A 101 -13.011 0.007 8.300 1.00 3.01 H new ATOM 0 HD3 ARG A 101 -13.305 1.729 8.159 1.00 3.01 H new ATOM 0 HE ARG A 101 -15.668 0.243 9.035 1.00 71.35 H new ATOM 0 HH11 ARG A 101 -12.655 1.788 10.032 1.00 2.50 H new ATOM 0 HH12 ARG A 101 -13.208 2.056 11.689 1.00 2.50 H new ATOM 0 HH21 ARG A 101 -16.369 0.588 11.164 1.00 55.23 H new ATOM 0 HH22 ARG A 101 -15.300 1.380 12.328 1.00 55.23 H new ATOM 1651 N PRO A 102 -14.548 2.209 2.462 1.00 44.31 N ATOM 1652 CA PRO A 102 -14.269 3.240 1.457 1.00 31.04 C ATOM 1653 C PRO A 102 -13.955 4.593 2.087 1.00 63.12 C ATOM 1654 O PRO A 102 -14.377 4.881 3.206 1.00 51.32 O ATOM 1655 CB PRO A 102 -15.571 3.314 0.654 1.00 24.52 C ATOM 1656 CG PRO A 102 -16.623 2.838 1.594 1.00 33.32 C ATOM 1657 CD PRO A 102 -15.964 1.806 2.467 1.00 52.41 C ATOM 0 HA PRO A 102 -13.394 2.996 0.855 1.00 31.04 H new ATOM 0 HB2 PRO A 102 -15.771 4.331 0.318 1.00 24.52 H new ATOM 0 HB3 PRO A 102 -15.523 2.687 -0.237 1.00 24.52 H new ATOM 0 HG2 PRO A 102 -17.014 3.662 2.191 1.00 33.32 H new ATOM 0 HG3 PRO A 102 -17.466 2.409 1.052 1.00 33.32 H new ATOM 0 HD2 PRO A 102 -16.379 1.808 3.475 1.00 52.41 H new ATOM 0 HD3 PRO A 102 -16.097 0.800 2.070 1.00 52.41 H new ATOM 1665 N GLY A 103 -13.211 5.421 1.360 1.00 44.12 N ATOM 1666 CA GLY A 103 -12.853 6.734 1.864 1.00 53.11 C ATOM 1667 C GLY A 103 -11.982 7.509 0.896 1.00 42.34 C ATOM 1668 O GLY A 103 -11.235 6.921 0.114 1.00 72.41 O ATOM 0 H GLY A 103 -12.850 5.206 0.431 1.00 44.12 H new ATOM 0 HA2 GLY A 103 -13.761 7.302 2.066 1.00 53.11 H new ATOM 0 HA3 GLY A 103 -12.328 6.625 2.813 1.00 53.11 H new ATOM 1672 N ARG A 104 -12.078 8.834 0.946 1.00 2.14 N ATOM 1673 CA ARG A 104 -11.294 9.691 0.065 1.00 72.25 C ATOM 1674 C ARG A 104 -10.368 10.597 0.870 1.00 64.31 C ATOM 1675 O ARG A 104 -10.819 11.533 1.531 1.00 20.14 O ATOM 1676 CB ARG A 104 -12.218 10.538 -0.812 1.00 74.44 C ATOM 1677 CG ARG A 104 -11.476 11.467 -1.760 1.00 31.23 C ATOM 1678 CD ARG A 104 -12.409 12.504 -2.367 1.00 25.42 C ATOM 1679 NE ARG A 104 -12.898 13.451 -1.369 1.00 23.54 N ATOM 1680 CZ ARG A 104 -14.000 14.176 -1.522 1.00 1.22 C ATOM 1681 NH1 ARG A 104 -14.723 14.064 -2.628 1.00 23.13 N ATOM 1682 NH2 ARG A 104 -14.381 15.017 -0.569 1.00 21.34 N ATOM 0 H ARG A 104 -12.691 9.337 1.587 1.00 2.14 H new ATOM 0 HA ARG A 104 -10.684 9.052 -0.573 1.00 72.25 H new ATOM 0 HB2 ARG A 104 -12.860 9.876 -1.394 1.00 74.44 H new ATOM 0 HB3 ARG A 104 -12.870 11.132 -0.171 1.00 74.44 H new ATOM 0 HG2 ARG A 104 -10.671 11.970 -1.223 1.00 31.23 H new ATOM 0 HG3 ARG A 104 -11.013 10.883 -2.555 1.00 31.23 H new ATOM 0 HD2 ARG A 104 -11.885 13.046 -3.155 1.00 25.42 H new ATOM 0 HD3 ARG A 104 -13.255 12.001 -2.834 1.00 25.42 H new ATOM 0 HE ARG A 104 -12.364 13.562 -0.507 1.00 23.54 H new ATOM 0 HH11 ARG A 104 -14.433 13.420 -3.364 1.00 23.13 H new ATOM 0 HH12 ARG A 104 -15.569 14.622 -2.743 1.00 23.13 H new ATOM 0 HH21 ARG A 104 -13.827 15.107 0.283 1.00 21.34 H new ATOM 0 HH22 ARG A 104 -15.228 15.573 -0.688 1.00 21.34 H new ATOM 1696 N ARG A 105 -9.071 10.312 0.810 1.00 44.43 N ATOM 1697 CA ARG A 105 -8.081 11.100 1.534 1.00 32.13 C ATOM 1698 C ARG A 105 -6.675 10.820 1.012 1.00 42.04 C ATOM 1699 O ARG A 105 -6.494 10.053 0.066 1.00 52.31 O ATOM 1700 CB ARG A 105 -8.151 10.794 3.032 1.00 73.35 C ATOM 1701 CG ARG A 105 -9.276 11.521 3.749 1.00 11.44 C ATOM 1702 CD ARG A 105 -9.028 11.590 5.248 1.00 4.44 C ATOM 1703 NE ARG A 105 -10.096 12.297 5.948 1.00 12.23 N ATOM 1704 CZ ARG A 105 -11.327 11.816 6.088 1.00 20.44 C ATOM 1705 NH1 ARG A 105 -11.641 10.633 5.579 1.00 20.32 N ATOM 1706 NH2 ARG A 105 -12.246 12.519 6.740 1.00 44.13 N ATOM 0 H ARG A 105 -8.682 9.541 0.267 1.00 44.43 H new ATOM 0 HA ARG A 105 -8.306 12.155 1.374 1.00 32.13 H new ATOM 0 HB2 ARG A 105 -8.278 9.720 3.169 1.00 73.35 H new ATOM 0 HB3 ARG A 105 -7.202 11.065 3.494 1.00 73.35 H new ATOM 0 HG2 ARG A 105 -9.372 12.530 3.348 1.00 11.44 H new ATOM 0 HG3 ARG A 105 -10.220 11.011 3.558 1.00 11.44 H new ATOM 0 HD2 ARG A 105 -8.940 10.580 5.648 1.00 4.44 H new ATOM 0 HD3 ARG A 105 -8.078 12.091 5.435 1.00 4.44 H new ATOM 0 HE ARG A 105 -9.886 13.210 6.352 1.00 12.23 H new ATOM 0 HH11 ARG A 105 -10.937 10.090 5.079 1.00 20.32 H new ATOM 0 HH12 ARG A 105 -12.586 10.266 5.688 1.00 20.32 H new ATOM 0 HH21 ARG A 105 -12.007 13.429 7.134 1.00 44.13 H new ATOM 0 HH22 ARG A 105 -13.190 12.149 6.847 1.00 44.13 H new ATOM 1720 N PHE A 106 -5.683 11.448 1.634 1.00 11.11 N ATOM 1721 CA PHE A 106 -4.293 11.268 1.232 1.00 42.33 C ATOM 1722 C PHE A 106 -3.771 9.903 1.672 1.00 72.41 C ATOM 1723 O PHE A 106 -4.520 9.082 2.200 1.00 21.25 O ATOM 1724 CB PHE A 106 -3.420 12.376 1.825 1.00 2.35 C ATOM 1725 CG PHE A 106 -3.974 13.755 1.612 1.00 12.13 C ATOM 1726 CD1 PHE A 106 -3.941 14.343 0.358 1.00 11.54 C ATOM 1727 CD2 PHE A 106 -4.527 14.465 2.666 1.00 24.54 C ATOM 1728 CE1 PHE A 106 -4.451 15.612 0.158 1.00 42.33 C ATOM 1729 CE2 PHE A 106 -5.039 15.734 2.473 1.00 70.14 C ATOM 1730 CZ PHE A 106 -4.999 16.309 1.217 1.00 10.31 C ATOM 0 H PHE A 106 -5.816 12.086 2.419 1.00 11.11 H new ATOM 0 HA PHE A 106 -4.246 11.322 0.144 1.00 42.33 H new ATOM 0 HB2 PHE A 106 -3.303 12.202 2.895 1.00 2.35 H new ATOM 0 HB3 PHE A 106 -2.426 12.320 1.382 1.00 2.35 H new ATOM 0 HD1 PHE A 106 -3.512 13.803 -0.473 1.00 11.54 H new ATOM 0 HD2 PHE A 106 -4.558 14.021 3.650 1.00 24.54 H new ATOM 0 HE1 PHE A 106 -4.421 16.058 -0.825 1.00 42.33 H new ATOM 0 HE2 PHE A 106 -5.470 16.275 3.302 1.00 70.14 H new ATOM 0 HZ PHE A 106 -5.396 17.302 1.064 1.00 10.31 H new ATOM 1740 N TYR A 107 -2.483 9.668 1.448 1.00 34.11 N ATOM 1741 CA TYR A 107 -1.862 8.402 1.817 1.00 40.40 C ATOM 1742 C TYR A 107 -0.372 8.586 2.089 1.00 45.21 C ATOM 1743 O TYR A 107 0.328 9.271 1.342 1.00 62.42 O ATOM 1744 CB TYR A 107 -2.066 7.367 0.710 1.00 54.21 C ATOM 1745 CG TYR A 107 -1.769 7.895 -0.675 1.00 33.00 C ATOM 1746 CD1 TYR A 107 -0.461 8.106 -1.093 1.00 75.45 C ATOM 1747 CD2 TYR A 107 -2.797 8.185 -1.565 1.00 63.31 C ATOM 1748 CE1 TYR A 107 -0.185 8.589 -2.358 1.00 3.02 C ATOM 1749 CE2 TYR A 107 -2.530 8.666 -2.832 1.00 12.13 C ATOM 1750 CZ TYR A 107 -1.222 8.867 -3.224 1.00 33.21 C ATOM 1751 OH TYR A 107 -0.953 9.349 -4.484 1.00 63.01 O ATOM 0 H TYR A 107 -1.849 10.338 1.013 1.00 34.11 H new ATOM 0 HA TYR A 107 -2.339 8.045 2.730 1.00 40.40 H new ATOM 0 HB2 TYR A 107 -1.426 6.506 0.906 1.00 54.21 H new ATOM 0 HB3 TYR A 107 -3.096 7.012 0.741 1.00 54.21 H new ATOM 0 HD1 TYR A 107 0.354 7.889 -0.418 1.00 75.45 H new ATOM 0 HD2 TYR A 107 -3.822 8.032 -1.261 1.00 63.31 H new ATOM 0 HE1 TYR A 107 0.838 8.748 -2.667 1.00 3.02 H new ATOM 0 HE2 TYR A 107 -3.340 8.884 -3.512 1.00 12.13 H new ATOM 0 HH TYR A 107 -1.794 9.491 -4.966 1.00 63.01 H new ATOM 1761 N VAL A 108 0.108 7.969 3.164 1.00 45.43 N ATOM 1762 CA VAL A 108 1.516 8.061 3.534 1.00 33.02 C ATOM 1763 C VAL A 108 2.289 6.833 3.068 1.00 74.14 C ATOM 1764 O VAL A 108 2.182 5.758 3.659 1.00 71.45 O ATOM 1765 CB VAL A 108 1.685 8.214 5.057 1.00 5.12 C ATOM 1766 CG1 VAL A 108 3.160 8.218 5.432 1.00 20.40 C ATOM 1767 CG2 VAL A 108 1.000 9.481 5.545 1.00 2.32 C ATOM 0 H VAL A 108 -0.457 7.400 3.794 1.00 45.43 H new ATOM 0 HA VAL A 108 1.917 8.946 3.040 1.00 33.02 H new ATOM 0 HB VAL A 108 1.212 7.362 5.545 1.00 5.12 H new ATOM 0 HG11 VAL A 108 3.261 8.327 6.512 1.00 20.40 H new ATOM 0 HG12 VAL A 108 3.618 7.280 5.118 1.00 20.40 H new ATOM 0 HG13 VAL A 108 3.659 9.050 4.935 1.00 20.40 H new ATOM 0 HG21 VAL A 108 1.130 9.573 6.623 1.00 2.32 H new ATOM 0 HG22 VAL A 108 1.442 10.347 5.052 1.00 2.32 H new ATOM 0 HG23 VAL A 108 -0.063 9.433 5.310 1.00 2.32 H new ATOM 1777 N VAL A 109 3.068 7.000 2.004 1.00 24.22 N ATOM 1778 CA VAL A 109 3.862 5.905 1.459 1.00 73.44 C ATOM 1779 C VAL A 109 5.354 6.183 1.601 1.00 54.30 C ATOM 1780 O VAL A 109 5.835 7.251 1.222 1.00 14.35 O ATOM 1781 CB VAL A 109 3.534 5.661 -0.027 1.00 3.35 C ATOM 1782 CG1 VAL A 109 2.084 6.010 -0.319 1.00 34.53 C ATOM 1783 CG2 VAL A 109 4.473 6.462 -0.917 1.00 24.44 C ATOM 0 H VAL A 109 3.166 7.883 1.502 1.00 24.22 H new ATOM 0 HA VAL A 109 3.607 5.013 2.031 1.00 73.44 H new ATOM 0 HB VAL A 109 3.678 4.602 -0.244 1.00 3.35 H new ATOM 0 HG11 VAL A 109 1.872 5.831 -1.373 1.00 34.53 H new ATOM 0 HG12 VAL A 109 1.430 5.389 0.293 1.00 34.53 H new ATOM 0 HG13 VAL A 109 1.909 7.060 -0.087 1.00 34.53 H new ATOM 0 HG21 VAL A 109 4.228 6.278 -1.963 1.00 24.44 H new ATOM 0 HG22 VAL A 109 4.362 7.524 -0.700 1.00 24.44 H new ATOM 0 HG23 VAL A 109 5.502 6.158 -0.727 1.00 24.44 H new ATOM 1793 N ALA A 110 6.081 5.215 2.147 1.00 3.45 N ATOM 1794 CA ALA A 110 7.519 5.354 2.337 1.00 4.43 C ATOM 1795 C ALA A 110 8.279 4.993 1.065 1.00 35.11 C ATOM 1796 O ALA A 110 8.435 3.817 0.736 1.00 21.24 O ATOM 1797 CB ALA A 110 7.986 4.486 3.497 1.00 73.00 C ATOM 0 H ALA A 110 5.698 4.325 2.466 1.00 3.45 H new ATOM 0 HA ALA A 110 7.729 6.398 2.571 1.00 4.43 H new ATOM 0 HB1 ALA A 110 9.062 4.600 3.627 1.00 73.00 H new ATOM 0 HB2 ALA A 110 7.476 4.793 4.410 1.00 73.00 H new ATOM 0 HB3 ALA A 110 7.755 3.442 3.286 1.00 73.00 H new ATOM 1803 N CYS A 111 8.748 6.011 0.352 1.00 73.14 N ATOM 1804 CA CYS A 111 9.490 5.801 -0.885 1.00 71.54 C ATOM 1805 C CYS A 111 10.984 5.668 -0.608 1.00 23.12 C ATOM 1806 O CYS A 111 11.581 6.515 0.058 1.00 32.22 O ATOM 1807 CB CYS A 111 9.242 6.958 -1.855 1.00 62.25 C ATOM 1808 SG CYS A 111 7.818 6.706 -2.964 1.00 70.44 S ATOM 0 H CYS A 111 8.627 6.990 0.610 1.00 73.14 H new ATOM 0 HA CYS A 111 9.138 4.874 -1.337 1.00 71.54 H new ATOM 0 HB2 CYS A 111 9.085 7.872 -1.282 1.00 62.25 H new ATOM 0 HB3 CYS A 111 10.137 7.110 -2.459 1.00 62.25 H new ATOM 1813 N ASP A 112 11.584 4.600 -1.122 1.00 75.43 N ATOM 1814 CA ASP A 112 13.008 4.355 -0.931 1.00 12.25 C ATOM 1815 C ASP A 112 13.659 3.891 -2.230 1.00 24.40 C ATOM 1816 O ASP A 112 12.975 3.473 -3.163 1.00 50.30 O ATOM 1817 CB ASP A 112 13.227 3.311 0.165 1.00 33.33 C ATOM 1818 CG ASP A 112 14.533 3.513 0.906 1.00 32.00 C ATOM 1819 OD1 ASP A 112 14.650 4.516 1.641 1.00 74.14 O ATOM 1820 OD2 ASP A 112 15.440 2.669 0.751 1.00 24.31 O ATOM 0 H ASP A 112 11.105 3.889 -1.675 1.00 75.43 H new ATOM 0 HA ASP A 112 13.474 5.292 -0.626 1.00 12.25 H new ATOM 0 HB2 ASP A 112 12.400 3.354 0.874 1.00 33.33 H new ATOM 0 HB3 ASP A 112 13.215 2.315 -0.278 1.00 33.33 H new ATOM 1825 N ASN A 113 14.985 3.967 -2.282 1.00 51.42 N ATOM 1826 CA ASN A 113 15.729 3.557 -3.468 1.00 35.31 C ATOM 1827 C ASN A 113 15.376 2.125 -3.862 1.00 12.30 C ATOM 1828 O ASN A 113 15.493 1.202 -3.056 1.00 65.35 O ATOM 1829 CB ASN A 113 17.233 3.673 -3.217 1.00 73.44 C ATOM 1830 CG ASN A 113 17.656 5.091 -2.887 1.00 25.41 C ATOM 1831 OD1 ASN A 113 16.936 6.048 -3.172 1.00 43.21 O ATOM 1832 ND2 ASN A 113 18.831 5.232 -2.283 1.00 73.14 N ATOM 0 H ASN A 113 15.566 4.309 -1.517 1.00 51.42 H new ATOM 0 HA ASN A 113 15.453 4.220 -4.288 1.00 35.31 H new ATOM 0 HB2 ASN A 113 17.514 3.013 -2.396 1.00 73.44 H new ATOM 0 HB3 ASN A 113 17.773 3.332 -4.100 1.00 73.44 H new ATOM 0 HD21 ASN A 113 19.169 6.162 -2.036 1.00 73.14 H new ATOM 0 HD22 ASN A 113 19.395 4.410 -2.066 1.00 73.14 H new ATOM 1839 N ARG A 114 14.943 1.950 -5.106 1.00 30.53 N ATOM 1840 CA ARG A 114 14.573 0.631 -5.607 1.00 51.01 C ATOM 1841 C ARG A 114 15.580 0.141 -6.644 1.00 2.44 C ATOM 1842 O ARG A 114 16.513 0.858 -7.005 1.00 54.32 O ATOM 1843 CB ARG A 114 13.172 0.670 -6.220 1.00 2.14 C ATOM 1844 CG ARG A 114 13.037 1.657 -7.368 1.00 55.50 C ATOM 1845 CD ARG A 114 13.304 0.992 -8.709 1.00 14.54 C ATOM 1846 NE ARG A 114 12.666 -0.317 -8.808 1.00 13.24 N ATOM 1847 CZ ARG A 114 11.350 -0.490 -8.874 1.00 43.42 C ATOM 1848 NH1 ARG A 114 10.538 0.559 -8.852 1.00 43.02 N ATOM 1849 NH2 ARG A 114 10.844 -1.713 -8.962 1.00 72.23 N ATOM 0 H ARG A 114 14.840 2.704 -5.785 1.00 30.53 H new ATOM 0 HA ARG A 114 14.576 -0.063 -4.767 1.00 51.01 H new ATOM 0 HB2 ARG A 114 12.913 -0.327 -6.577 1.00 2.14 H new ATOM 0 HB3 ARG A 114 12.452 0.928 -5.444 1.00 2.14 H new ATOM 0 HG2 ARG A 114 12.034 2.084 -7.366 1.00 55.50 H new ATOM 0 HG3 ARG A 114 13.735 2.482 -7.224 1.00 55.50 H new ATOM 0 HD2 ARG A 114 12.940 1.634 -9.511 1.00 14.54 H new ATOM 0 HD3 ARG A 114 14.379 0.883 -8.852 1.00 14.54 H new ATOM 0 HE ARG A 114 13.263 -1.144 -8.828 1.00 13.24 H new ATOM 0 HH11 ARG A 114 10.923 1.501 -8.784 1.00 43.02 H new ATOM 0 HH12 ARG A 114 9.528 0.424 -8.903 1.00 43.02 H new ATOM 0 HH21 ARG A 114 11.465 -2.522 -8.979 1.00 72.23 H new ATOM 0 HH22 ARG A 114 9.834 -1.845 -9.013 1.00 72.23 H new ATOM 1863 N ASP A 115 15.385 -1.085 -7.116 1.00 33.13 N ATOM 1864 CA ASP A 115 16.275 -1.671 -8.110 1.00 71.31 C ATOM 1865 C ASP A 115 16.153 -0.943 -9.445 1.00 44.02 C ATOM 1866 O ASP A 115 15.068 -0.809 -10.011 1.00 4.45 O ATOM 1867 CB ASP A 115 15.960 -3.157 -8.295 1.00 62.13 C ATOM 1868 CG ASP A 115 17.195 -3.974 -8.623 1.00 31.44 C ATOM 1869 OD1 ASP A 115 17.967 -3.553 -9.509 1.00 13.12 O ATOM 1870 OD2 ASP A 115 17.388 -5.035 -7.992 1.00 60.02 O ATOM 0 H ASP A 115 14.618 -1.692 -6.826 1.00 33.13 H new ATOM 0 HA ASP A 115 17.299 -1.566 -7.751 1.00 71.31 H new ATOM 0 HB2 ASP A 115 15.503 -3.545 -7.385 1.00 62.13 H new ATOM 0 HB3 ASP A 115 15.228 -3.274 -9.094 1.00 62.13 H new ATOM 1875 N PRO A 116 17.293 -0.460 -9.962 1.00 74.20 N ATOM 1876 CA PRO A 116 17.340 0.264 -11.237 1.00 1.24 C ATOM 1877 C PRO A 116 17.069 -0.646 -12.430 1.00 53.23 C ATOM 1878 O PRO A 116 17.183 -0.225 -13.582 1.00 14.34 O ATOM 1879 CB PRO A 116 18.773 0.800 -11.287 1.00 41.01 C ATOM 1880 CG PRO A 116 19.558 -0.134 -10.433 1.00 23.41 C ATOM 1881 CD PRO A 116 18.623 -0.583 -9.343 1.00 22.31 C ATOM 0 HA PRO A 116 16.578 1.041 -11.294 1.00 1.24 H new ATOM 0 HB2 PRO A 116 19.154 0.817 -12.308 1.00 41.01 H new ATOM 0 HB3 PRO A 116 18.827 1.821 -10.910 1.00 41.01 H new ATOM 0 HG2 PRO A 116 19.918 -0.984 -11.013 1.00 23.41 H new ATOM 0 HG3 PRO A 116 20.435 0.362 -10.016 1.00 23.41 H new ATOM 0 HD2 PRO A 116 18.829 -1.608 -9.034 1.00 22.31 H new ATOM 0 HD3 PRO A 116 18.712 0.042 -8.454 1.00 22.31 H new ATOM 1889 N ARG A 117 16.711 -1.894 -12.148 1.00 14.11 N ATOM 1890 CA ARG A 117 16.424 -2.863 -13.199 1.00 3.24 C ATOM 1891 C ARG A 117 14.920 -3.029 -13.390 1.00 55.03 C ATOM 1892 O ARG A 117 14.470 -3.616 -14.374 1.00 61.13 O ATOM 1893 CB ARG A 117 17.059 -4.214 -12.863 1.00 73.03 C ATOM 1894 CG ARG A 117 16.304 -4.993 -11.798 1.00 23.11 C ATOM 1895 CD ARG A 117 16.434 -6.494 -12.010 1.00 55.41 C ATOM 1896 NE ARG A 117 16.132 -7.245 -10.794 1.00 65.24 N ATOM 1897 CZ ARG A 117 16.184 -8.571 -10.718 1.00 41.30 C ATOM 1898 NH1 ARG A 117 16.524 -9.286 -11.781 1.00 42.23 N ATOM 1899 NH2 ARG A 117 15.895 -9.182 -9.576 1.00 65.23 N ATOM 0 H ARG A 117 16.613 -2.258 -11.200 1.00 14.11 H new ATOM 0 HA ARG A 117 16.851 -2.489 -14.130 1.00 3.24 H new ATOM 0 HB2 ARG A 117 17.115 -4.816 -13.770 1.00 73.03 H new ATOM 0 HB3 ARG A 117 18.082 -4.051 -12.525 1.00 73.03 H new ATOM 0 HG2 ARG A 117 16.687 -4.729 -10.812 1.00 23.11 H new ATOM 0 HG3 ARG A 117 15.251 -4.711 -11.817 1.00 23.11 H new ATOM 0 HD2 ARG A 117 15.760 -6.808 -12.807 1.00 55.41 H new ATOM 0 HD3 ARG A 117 17.447 -6.728 -12.339 1.00 55.41 H new ATOM 0 HE ARG A 117 15.867 -6.724 -9.958 1.00 65.24 H new ATOM 0 HH11 ARG A 117 16.747 -8.819 -12.660 1.00 42.23 H new ATOM 0 HH12 ARG A 117 16.563 -10.303 -11.720 1.00 42.23 H new ATOM 0 HH21 ARG A 117 15.633 -8.634 -8.757 1.00 65.23 H new ATOM 0 HH22 ARG A 117 15.935 -10.200 -9.518 1.00 65.23 H new ATOM 1913 N ASP A 118 14.147 -2.509 -12.442 1.00 42.55 N ATOM 1914 CA ASP A 118 12.693 -2.599 -12.507 1.00 43.42 C ATOM 1915 C ASP A 118 12.089 -1.287 -12.999 1.00 31.14 C ATOM 1916 O ASP A 118 11.241 -1.280 -13.891 1.00 12.21 O ATOM 1917 CB ASP A 118 12.122 -2.955 -11.133 1.00 43.40 C ATOM 1918 CG ASP A 118 12.090 -4.451 -10.889 1.00 44.03 C ATOM 1919 OD1 ASP A 118 13.091 -4.988 -10.371 1.00 1.20 O ATOM 1920 OD2 ASP A 118 11.065 -5.084 -11.217 1.00 20.34 O ATOM 0 H ASP A 118 14.503 -2.021 -11.620 1.00 42.55 H new ATOM 0 HA ASP A 118 12.433 -3.386 -13.215 1.00 43.42 H new ATOM 0 HB2 ASP A 118 12.721 -2.476 -10.359 1.00 43.40 H new ATOM 0 HB3 ASP A 118 11.112 -2.554 -11.048 1.00 43.40 H new ATOM 1925 N SER A 119 12.530 -0.180 -12.410 1.00 22.25 N ATOM 1926 CA SER A 119 12.029 1.136 -12.784 1.00 73.00 C ATOM 1927 C SER A 119 13.180 2.083 -13.108 1.00 51.30 C ATOM 1928 O SER A 119 13.799 2.674 -12.223 1.00 41.23 O ATOM 1929 CB SER A 119 11.174 1.720 -11.657 1.00 62.13 C ATOM 1930 OG SER A 119 10.156 2.561 -12.172 1.00 73.32 O ATOM 0 H SER A 119 13.234 -0.169 -11.672 1.00 22.25 H new ATOM 0 HA SER A 119 11.412 1.023 -13.676 1.00 73.00 H new ATOM 0 HB2 SER A 119 10.725 0.911 -11.081 1.00 62.13 H new ATOM 0 HB3 SER A 119 11.806 2.286 -10.973 1.00 62.13 H new ATOM 0 HG SER A 119 9.391 2.561 -11.560 1.00 73.32 H new ATOM 1936 N PRO A 120 13.475 2.233 -14.407 1.00 61.43 N ATOM 1937 CA PRO A 120 14.553 3.107 -14.880 1.00 32.24 C ATOM 1938 C PRO A 120 14.229 4.584 -14.684 1.00 13.33 C ATOM 1939 O PRO A 120 15.022 5.333 -14.110 1.00 73.42 O ATOM 1940 CB PRO A 120 14.651 2.775 -16.371 1.00 31.20 C ATOM 1941 CG PRO A 120 13.298 2.269 -16.737 1.00 45.20 C ATOM 1942 CD PRO A 120 12.779 1.559 -15.517 1.00 13.22 C ATOM 0 HA PRO A 120 15.480 2.944 -14.331 1.00 32.24 H new ATOM 0 HB2 PRO A 120 14.916 3.656 -16.956 1.00 31.20 H new ATOM 0 HB3 PRO A 120 15.419 2.025 -16.560 1.00 31.20 H new ATOM 0 HG2 PRO A 120 12.638 3.089 -17.022 1.00 45.20 H new ATOM 0 HG3 PRO A 120 13.352 1.592 -17.590 1.00 45.20 H new ATOM 0 HD2 PRO A 120 11.697 1.652 -15.428 1.00 13.22 H new ATOM 0 HD3 PRO A 120 13.006 0.493 -15.545 1.00 13.22 H new ATOM 1950 N ARG A 121 13.059 4.998 -15.161 1.00 2.22 N ATOM 1951 CA ARG A 121 12.631 6.386 -15.038 1.00 11.21 C ATOM 1952 C ARG A 121 12.419 6.761 -13.574 1.00 52.15 C ATOM 1953 O ARG A 121 13.054 7.683 -13.061 1.00 51.44 O ATOM 1954 CB ARG A 121 11.341 6.616 -15.827 1.00 43.21 C ATOM 1955 CG ARG A 121 10.228 5.644 -15.472 1.00 4.13 C ATOM 1956 CD ARG A 121 9.332 5.363 -16.668 1.00 22.33 C ATOM 1957 NE ARG A 121 9.943 4.420 -17.601 1.00 24.52 N ATOM 1958 CZ ARG A 121 9.977 3.107 -17.403 1.00 20.53 C ATOM 1959 NH1 ARG A 121 9.436 2.583 -16.310 1.00 45.25 N ATOM 1960 NH2 ARG A 121 10.552 2.314 -18.299 1.00 32.05 N ATOM 0 H ARG A 121 12.391 4.391 -15.636 1.00 2.22 H new ATOM 0 HA ARG A 121 13.417 7.021 -15.448 1.00 11.21 H new ATOM 0 HB2 ARG A 121 10.993 7.634 -15.650 1.00 43.21 H new ATOM 0 HB3 ARG A 121 11.557 6.534 -16.892 1.00 43.21 H new ATOM 0 HG2 ARG A 121 10.660 4.710 -15.112 1.00 4.13 H new ATOM 0 HG3 ARG A 121 9.631 6.054 -14.657 1.00 4.13 H new ATOM 0 HD2 ARG A 121 8.379 4.963 -16.321 1.00 22.33 H new ATOM 0 HD3 ARG A 121 9.116 6.297 -17.186 1.00 22.33 H new ATOM 0 HE ARG A 121 10.367 4.790 -18.452 1.00 24.52 H new ATOM 0 HH11 ARG A 121 8.993 3.189 -15.620 1.00 45.25 H new ATOM 0 HH12 ARG A 121 9.464 1.574 -16.161 1.00 45.25 H new ATOM 0 HH21 ARG A 121 10.968 2.713 -19.140 1.00 32.05 H new ATOM 0 HH22 ARG A 121 10.578 1.306 -18.146 1.00 32.05 H new ATOM 1974 N TYR A 122 11.523 6.042 -12.908 1.00 75.33 N ATOM 1975 CA TYR A 122 11.224 6.303 -11.506 1.00 21.43 C ATOM 1976 C TYR A 122 12.371 5.842 -10.611 1.00 30.44 C ATOM 1977 O TYR A 122 12.646 4.649 -10.474 1.00 51.42 O ATOM 1978 CB TYR A 122 9.930 5.597 -11.099 1.00 34.23 C ATOM 1979 CG TYR A 122 8.757 5.918 -11.997 1.00 10.24 C ATOM 1980 CD1 TYR A 122 8.030 7.090 -11.833 1.00 1.54 C ATOM 1981 CD2 TYR A 122 8.376 5.048 -13.012 1.00 11.31 C ATOM 1982 CE1 TYR A 122 6.957 7.388 -12.650 1.00 63.13 C ATOM 1983 CE2 TYR A 122 7.305 5.338 -13.836 1.00 31.13 C ATOM 1984 CZ TYR A 122 6.599 6.509 -13.650 1.00 70.51 C ATOM 1985 OH TYR A 122 5.532 6.801 -14.469 1.00 51.41 O ATOM 0 H TYR A 122 10.991 5.274 -13.317 1.00 75.33 H new ATOM 0 HA TYR A 122 11.098 7.378 -11.381 1.00 21.43 H new ATOM 0 HB2 TYR A 122 10.097 4.520 -11.104 1.00 34.23 H new ATOM 0 HB3 TYR A 122 9.680 5.876 -10.075 1.00 34.23 H new ATOM 0 HD1 TYR A 122 8.309 7.782 -11.052 1.00 1.54 H new ATOM 0 HD2 TYR A 122 8.926 4.130 -13.159 1.00 11.31 H new ATOM 0 HE1 TYR A 122 6.402 8.303 -12.506 1.00 63.13 H new ATOM 0 HE2 TYR A 122 7.022 4.652 -14.621 1.00 31.13 H new ATOM 0 HH TYR A 122 5.413 6.080 -15.122 1.00 51.41 H new ATOM 1995 N PRO A 123 13.056 6.810 -9.984 1.00 65.13 N ATOM 1996 CA PRO A 123 14.183 6.529 -9.089 1.00 64.35 C ATOM 1997 C PRO A 123 13.742 5.866 -7.790 1.00 15.03 C ATOM 1998 O PRO A 123 14.276 4.829 -7.397 1.00 21.14 O ATOM 1999 CB PRO A 123 14.768 7.916 -8.811 1.00 20.24 C ATOM 2000 CG PRO A 123 13.629 8.855 -9.013 1.00 51.03 C ATOM 2001 CD PRO A 123 12.784 8.252 -10.101 1.00 11.24 C ATOM 0 HA PRO A 123 14.893 5.833 -9.534 1.00 64.35 H new ATOM 0 HB2 PRO A 123 15.162 7.984 -7.797 1.00 20.24 H new ATOM 0 HB3 PRO A 123 15.592 8.141 -9.488 1.00 20.24 H new ATOM 0 HG2 PRO A 123 13.055 8.976 -8.094 1.00 51.03 H new ATOM 0 HG3 PRO A 123 13.985 9.845 -9.299 1.00 51.03 H new ATOM 0 HD2 PRO A 123 11.726 8.474 -9.958 1.00 11.24 H new ATOM 0 HD3 PRO A 123 13.061 8.635 -11.083 1.00 11.24 H new ATOM 2009 N VAL A 124 12.761 6.471 -7.126 1.00 60.41 N ATOM 2010 CA VAL A 124 12.246 5.938 -5.870 1.00 75.44 C ATOM 2011 C VAL A 124 10.824 5.415 -6.039 1.00 33.31 C ATOM 2012 O VAL A 124 10.104 5.822 -6.951 1.00 34.12 O ATOM 2013 CB VAL A 124 12.260 7.004 -4.760 1.00 12.31 C ATOM 2014 CG1 VAL A 124 10.962 7.799 -4.765 1.00 43.51 C ATOM 2015 CG2 VAL A 124 12.493 6.357 -3.403 1.00 55.22 C ATOM 0 H VAL A 124 12.308 7.330 -7.437 1.00 60.41 H new ATOM 0 HA VAL A 124 12.902 5.116 -5.582 1.00 75.44 H new ATOM 0 HB VAL A 124 13.081 7.694 -4.954 1.00 12.31 H new ATOM 0 HG11 VAL A 124 10.991 8.548 -3.973 1.00 43.51 H new ATOM 0 HG12 VAL A 124 10.842 8.294 -5.729 1.00 43.51 H new ATOM 0 HG13 VAL A 124 10.122 7.125 -4.597 1.00 43.51 H new ATOM 0 HG21 VAL A 124 12.500 7.125 -2.630 1.00 55.22 H new ATOM 0 HG22 VAL A 124 11.695 5.643 -3.198 1.00 55.22 H new ATOM 0 HG23 VAL A 124 13.451 5.838 -3.407 1.00 55.22 H new ATOM 2025 N VAL A 125 10.424 4.509 -5.152 1.00 30.45 N ATOM 2026 CA VAL A 125 9.087 3.929 -5.200 1.00 74.05 C ATOM 2027 C VAL A 125 8.594 3.565 -3.805 1.00 24.12 C ATOM 2028 O VAL A 125 9.377 3.357 -2.877 1.00 43.35 O ATOM 2029 CB VAL A 125 9.051 2.672 -6.090 1.00 71.02 C ATOM 2030 CG1 VAL A 125 9.014 3.059 -7.561 1.00 20.14 C ATOM 2031 CG2 VAL A 125 10.246 1.778 -5.795 1.00 62.31 C ATOM 0 H VAL A 125 11.007 4.161 -4.391 1.00 30.45 H new ATOM 0 HA VAL A 125 8.430 4.686 -5.627 1.00 74.05 H new ATOM 0 HB VAL A 125 8.143 2.113 -5.864 1.00 71.02 H new ATOM 0 HG11 VAL A 125 8.989 2.158 -8.174 1.00 20.14 H new ATOM 0 HG12 VAL A 125 8.124 3.657 -7.758 1.00 20.14 H new ATOM 0 HG13 VAL A 125 9.903 3.640 -7.807 1.00 20.14 H new ATOM 0 HG21 VAL A 125 10.205 0.894 -6.432 1.00 62.31 H new ATOM 0 HG22 VAL A 125 11.168 2.326 -5.992 1.00 62.31 H new ATOM 0 HG23 VAL A 125 10.222 1.472 -4.749 1.00 62.31 H new ATOM 2041 N PRO A 126 7.265 3.484 -3.648 1.00 72.42 N ATOM 2042 CA PRO A 126 6.637 3.143 -2.367 1.00 63.44 C ATOM 2043 C PRO A 126 6.871 1.687 -1.977 1.00 53.11 C ATOM 2044 O PRO A 126 6.753 0.785 -2.806 1.00 21.40 O ATOM 2045 CB PRO A 126 5.150 3.396 -2.623 1.00 34.40 C ATOM 2046 CG PRO A 126 4.986 3.237 -4.095 1.00 54.24 C ATOM 2047 CD PRO A 126 6.272 3.718 -4.710 1.00 34.20 C ATOM 0 HA PRO A 126 7.047 3.727 -1.543 1.00 63.44 H new ATOM 0 HB2 PRO A 126 4.528 2.687 -2.077 1.00 34.40 H new ATOM 0 HB3 PRO A 126 4.857 4.394 -2.298 1.00 34.40 H new ATOM 0 HG2 PRO A 126 4.794 2.196 -4.356 1.00 54.24 H new ATOM 0 HG3 PRO A 126 4.138 3.818 -4.458 1.00 54.24 H new ATOM 0 HD2 PRO A 126 6.515 3.165 -5.617 1.00 34.20 H new ATOM 0 HD3 PRO A 126 6.217 4.772 -4.984 1.00 34.20 H new ATOM 2055 N VAL A 127 7.201 1.465 -0.709 1.00 4.21 N ATOM 2056 CA VAL A 127 7.449 0.119 -0.208 1.00 63.33 C ATOM 2057 C VAL A 127 6.706 -0.127 1.100 1.00 5.40 C ATOM 2058 O VAL A 127 6.836 -1.189 1.710 1.00 12.24 O ATOM 2059 CB VAL A 127 8.954 -0.130 0.013 1.00 54.33 C ATOM 2060 CG1 VAL A 127 9.700 -0.105 -1.312 1.00 71.13 C ATOM 2061 CG2 VAL A 127 9.526 0.899 0.976 1.00 11.51 C ATOM 0 H VAL A 127 7.303 2.201 -0.010 1.00 4.21 H new ATOM 0 HA VAL A 127 7.082 -0.573 -0.966 1.00 63.33 H new ATOM 0 HB VAL A 127 9.081 -1.119 0.454 1.00 54.33 H new ATOM 0 HG11 VAL A 127 10.761 -0.283 -1.136 1.00 71.13 H new ATOM 0 HG12 VAL A 127 9.306 -0.883 -1.966 1.00 71.13 H new ATOM 0 HG13 VAL A 127 9.569 0.868 -1.785 1.00 71.13 H new ATOM 0 HG21 VAL A 127 10.589 0.709 1.122 1.00 11.51 H new ATOM 0 HG22 VAL A 127 9.389 1.899 0.564 1.00 11.51 H new ATOM 0 HG23 VAL A 127 9.010 0.827 1.934 1.00 11.51 H new ATOM 2071 N HIS A 128 5.928 0.863 1.527 1.00 52.20 N ATOM 2072 CA HIS A 128 5.163 0.755 2.763 1.00 24.45 C ATOM 2073 C HIS A 128 4.088 1.835 2.834 1.00 53.43 C ATOM 2074 O HIS A 128 4.271 2.941 2.323 1.00 52.23 O ATOM 2075 CB HIS A 128 6.091 0.862 3.973 1.00 5.44 C ATOM 2076 CG HIS A 128 5.400 1.320 5.221 1.00 73.52 C ATOM 2077 ND1 HIS A 128 5.362 0.572 6.378 1.00 35.43 N ATOM 2078 CD2 HIS A 128 4.717 2.458 5.488 1.00 40.22 C ATOM 2079 CE1 HIS A 128 4.685 1.228 7.303 1.00 15.01 C ATOM 2080 NE2 HIS A 128 4.283 2.377 6.788 1.00 23.15 N ATOM 0 H HIS A 128 5.811 1.749 1.035 1.00 52.20 H new ATOM 0 HA HIS A 128 4.674 -0.219 2.774 1.00 24.45 H new ATOM 0 HB2 HIS A 128 6.548 -0.110 4.157 1.00 5.44 H new ATOM 0 HB3 HIS A 128 6.899 1.555 3.740 1.00 5.44 H new ATOM 0 HD1 HIS A 128 5.790 -0.346 6.501 1.00 35.43 H new ATOM 0 HD2 HIS A 128 4.545 3.277 4.805 1.00 40.22 H new ATOM 0 HE1 HIS A 128 4.493 0.884 8.309 1.00 15.01 H new ATOM 2089 N LEU A 129 2.969 1.508 3.470 1.00 53.44 N ATOM 2090 CA LEU A 129 1.864 2.451 3.607 1.00 11.21 C ATOM 2091 C LEU A 129 1.509 2.664 5.075 1.00 50.30 C ATOM 2092 O LEU A 129 0.887 1.808 5.705 1.00 43.03 O ATOM 2093 CB LEU A 129 0.639 1.947 2.842 1.00 24.03 C ATOM 2094 CG LEU A 129 -0.274 3.022 2.252 1.00 24.24 C ATOM 2095 CD1 LEU A 129 0.548 4.121 1.599 1.00 2.25 C ATOM 2096 CD2 LEU A 129 -1.240 2.409 1.249 1.00 34.41 C ATOM 0 H LEU A 129 2.802 0.598 3.899 1.00 53.44 H new ATOM 0 HA LEU A 129 2.179 3.406 3.186 1.00 11.21 H new ATOM 0 HB2 LEU A 129 0.981 1.305 2.031 1.00 24.03 H new ATOM 0 HB3 LEU A 129 0.047 1.325 3.513 1.00 24.03 H new ATOM 0 HG LEU A 129 -0.854 3.463 3.062 1.00 24.24 H new ATOM 0 HD11 LEU A 129 -0.119 4.877 1.185 1.00 2.25 H new ATOM 0 HD12 LEU A 129 1.199 4.580 2.343 1.00 2.25 H new ATOM 0 HD13 LEU A 129 1.155 3.695 0.800 1.00 2.25 H new ATOM 0 HD21 LEU A 129 -1.882 3.189 0.839 1.00 34.41 H new ATOM 0 HD22 LEU A 129 -0.677 1.941 0.441 1.00 34.41 H new ATOM 0 HD23 LEU A 129 -1.854 1.658 1.747 1.00 34.41 H new ATOM 2108 N ASP A 130 1.906 3.812 5.614 1.00 71.43 N ATOM 2109 CA ASP A 130 1.627 4.140 7.007 1.00 23.02 C ATOM 2110 C ASP A 130 0.124 4.209 7.258 1.00 33.34 C ATOM 2111 O ASP A 130 -0.411 3.484 8.098 1.00 10.15 O ATOM 2112 CB ASP A 130 2.281 5.471 7.381 1.00 21.31 C ATOM 2113 CG ASP A 130 2.692 5.523 8.840 1.00 53.45 C ATOM 2114 OD1 ASP A 130 1.811 5.741 9.697 1.00 31.21 O ATOM 2115 OD2 ASP A 130 3.896 5.348 9.123 1.00 13.13 O ATOM 0 H ASP A 130 2.422 4.531 5.107 1.00 71.43 H new ATOM 0 HA ASP A 130 2.046 3.351 7.631 1.00 23.02 H new ATOM 0 HB2 ASP A 130 3.158 5.631 6.753 1.00 21.31 H new ATOM 0 HB3 ASP A 130 1.587 6.285 7.173 1.00 21.31 H new ATOM 2120 N THR A 131 -0.554 5.087 6.525 1.00 1.33 N ATOM 2121 CA THR A 131 -1.995 5.253 6.670 1.00 5.34 C ATOM 2122 C THR A 131 -2.556 6.160 5.582 1.00 60.32 C ATOM 2123 O THR A 131 -1.831 6.598 4.688 1.00 44.40 O ATOM 2124 CB THR A 131 -2.357 5.838 8.047 1.00 3.54 C ATOM 2125 OG1 THR A 131 -3.776 5.799 8.240 1.00 62.32 O ATOM 2126 CG2 THR A 131 -1.863 7.272 8.173 1.00 72.33 C ATOM 0 H THR A 131 -0.128 5.694 5.825 1.00 1.33 H new ATOM 0 HA THR A 131 -2.438 4.262 6.577 1.00 5.34 H new ATOM 0 HB THR A 131 -1.870 5.233 8.812 1.00 3.54 H new ATOM 0 HG1 THR A 131 -4.127 4.944 7.914 1.00 62.32 H new ATOM 0 HG21 THR A 131 -2.130 7.664 9.154 1.00 72.33 H new ATOM 0 HG22 THR A 131 -0.780 7.295 8.056 1.00 72.33 H new ATOM 0 HG23 THR A 131 -2.325 7.885 7.399 1.00 72.33 H new ATOM 2134 N THR A 132 -3.854 6.440 5.661 1.00 45.24 N ATOM 2135 CA THR A 132 -4.511 7.295 4.682 1.00 72.10 C ATOM 2136 C THR A 132 -5.225 8.459 5.360 1.00 33.51 C ATOM 2137 O THR A 132 -6.237 8.269 6.037 1.00 3.30 O ATOM 2138 CB THR A 132 -5.530 6.504 3.839 1.00 0.23 C ATOM 2139 OG1 THR A 132 -6.369 5.719 4.694 1.00 51.21 O ATOM 2140 CG2 THR A 132 -4.821 5.597 2.845 1.00 2.33 C ATOM 0 H THR A 132 -4.470 6.087 6.393 1.00 45.24 H new ATOM 0 HA THR A 132 -3.731 7.682 4.027 1.00 72.10 H new ATOM 0 HB THR A 132 -6.141 7.216 3.285 1.00 0.23 H new ATOM 0 HG1 THR A 132 -7.237 5.579 4.261 1.00 51.21 H new ATOM 0 HG21 THR A 132 -5.560 5.049 2.261 1.00 2.33 H new ATOM 0 HG22 THR A 132 -4.206 6.200 2.177 1.00 2.33 H new ATOM 0 HG23 THR A 132 -4.188 4.892 3.383 1.00 2.33 H new ATOM 2148 N ILE A 133 -4.695 9.663 5.174 1.00 64.21 N ATOM 2149 CA ILE A 133 -5.284 10.857 5.767 1.00 45.30 C ATOM 2150 C ILE A 133 -5.441 11.965 4.730 1.00 31.15 C ATOM 2151 O ILE A 133 -6.014 13.017 5.013 1.00 33.44 O ATOM 2152 CB ILE A 133 -4.431 11.382 6.937 1.00 14.12 C ATOM 2153 CG1 ILE A 133 -5.231 12.389 7.768 1.00 33.40 C ATOM 2154 CG2 ILE A 133 -3.150 12.017 6.417 1.00 24.52 C ATOM 2155 CD1 ILE A 133 -4.470 12.933 8.956 1.00 24.42 C ATOM 0 H ILE A 133 -3.858 9.837 4.617 1.00 64.21 H new ATOM 0 HA ILE A 133 -6.267 10.572 6.143 1.00 45.30 H new ATOM 0 HB ILE A 133 -4.163 10.541 7.577 1.00 14.12 H new ATOM 0 HG12 ILE A 133 -5.531 13.219 7.128 1.00 33.40 H new ATOM 0 HG13 ILE A 133 -6.145 11.912 8.120 1.00 33.40 H new ATOM 0 HG21 ILE A 133 -2.559 12.383 7.256 1.00 24.52 H new ATOM 0 HG22 ILE A 133 -2.575 11.275 5.864 1.00 24.52 H new ATOM 0 HG23 ILE A 133 -3.398 12.849 5.758 1.00 24.52 H new ATOM 0 HD11 ILE A 133 -5.098 13.640 9.498 1.00 24.42 H new ATOM 0 HD12 ILE A 133 -4.193 12.112 9.618 1.00 24.42 H new ATOM 0 HD13 ILE A 133 -3.569 13.440 8.610 1.00 24.42 H new