USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1106 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 SER OG : rot 180:sc= 0.905 USER MOD Set 1.2: A 124 THR OG1 : rot -92:sc= 1.25 USER MOD Set 2.1: A 95 CYS SG : rot -161:sc= -3.56 USER MOD Set 2.2: A 97 GLN : amide:sc= -2.31 X(o=-5.9,f=-6.2) USER MOD Set 3.1: A 56 THR OG1 : rot 42:sc= 0.183 USER MOD Set 3.2: A 57 THR OG1 : rot -41:sc= -0.0675! USER MOD Set 4.1: A 2 ASN : amide:sc= -1.47 K(o=-4.2,f=-8.4!) USER MOD Set 4.2: A 91 ASN : amide:sc= -2.75 K(o=-4.2,f=-11!) USER MOD Single : A 4 SER OG : rot -11:sc= 0.939 USER MOD Single : A 6 ASN : amide:sc= -2.93 K(o=-2.9,f=-4.3!) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -0.679 (180deg=-1.63!) USER MOD Single : A 12 SER OG : rot -150:sc= -2.32 USER MOD Single : A 14 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.36!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.8!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc=-0.00259 (180deg=-0.271) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.83 K(o=-2.8,f=-4.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -15:sc= -2.69! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -42:sc= -1.51! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 64 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 75 THR OG1 : rot -88:sc= -0.419! USER MOD Single : A 81 CYS SG : rot 172:sc= -4.59! USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.877 (180deg=-2.31!) USER MOD Single : A 83 SER OG : rot 133:sc=-0.00555! USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= -0.0306 (180deg=-0.041) USER MOD Single : A 89 SER OG : rot 180:sc= -0.206 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 159:sc= -6.88! (180deg=-7.46!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 110 THR OG1 : rot 4:sc= 0.922 USER MOD Single : A 114 THR OG1 : rot 97:sc= 0.325 USER MOD Single : A 115 ASN : amide:sc= -0.0273 K(o=-0.027,f=-1.8!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -4.33! USER MOD Single : A 123 MET CE :methyl -162:sc= -0.22 (180deg=-0.892) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 134 TYR OH : rot 180:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.668 0.759 10.126 1.00 0.99 N ATOM 2 CA PRO A 1 -14.212 0.698 9.770 1.00 0.73 C ATOM 3 C PRO A 1 -13.760 2.003 9.101 1.00 0.81 C ATOM 4 O PRO A 1 -12.597 2.348 9.149 1.00 1.82 O ATOM 5 CB PRO A 1 -14.005 -0.463 8.797 1.00 0.51 C ATOM 6 CG PRO A 1 -15.369 -1.102 8.560 1.00 0.72 C ATOM 7 CD PRO A 1 -16.397 -0.281 9.338 1.00 0.94 C ATOM 0 H2 PRO A 1 -16.044 1.685 9.922 1.00 0.99 H new ATOM 0 H3 PRO A 1 -15.795 0.599 11.125 1.00 0.99 H new ATOM 0 HA PRO A 1 -13.625 0.555 10.677 1.00 0.73 H new ATOM 0 HB2 PRO A 1 -13.579 -0.107 7.859 1.00 0.51 H new ATOM 0 HB3 PRO A 1 -13.306 -1.190 9.209 1.00 0.51 H new ATOM 0 HG2 PRO A 1 -15.610 -1.111 7.497 1.00 0.72 H new ATOM 0 HG3 PRO A 1 -15.371 -2.139 8.896 1.00 0.72 H new ATOM 0 HD2 PRO A 1 -17.105 0.188 8.654 1.00 0.94 H new ATOM 0 HD3 PRO A 1 -16.974 -0.925 10.002 1.00 0.94 H new ATOM 17 N ASN A 2 -14.659 2.716 8.460 1.00 0.42 N ATOM 18 CA ASN A 2 -14.270 3.986 7.769 1.00 0.38 C ATOM 19 C ASN A 2 -13.557 3.633 6.464 1.00 0.67 C ATOM 20 O ASN A 2 -13.922 2.685 5.804 1.00 1.78 O ATOM 21 CB ASN A 2 -13.372 4.834 8.681 1.00 0.35 C ATOM 22 CG ASN A 2 -14.021 4.966 10.061 1.00 0.31 C ATOM 23 OD1 ASN A 2 -13.757 4.177 10.946 1.00 1.02 O ATOM 24 ND2 ASN A 2 -14.863 5.937 10.282 1.00 1.11 N ATOM 0 H ASN A 2 -15.646 2.471 8.387 1.00 0.42 H new ATOM 0 HA ASN A 2 -15.158 4.577 7.543 1.00 0.38 H new ATOM 0 HB2 ASN A 2 -12.389 4.371 8.773 1.00 0.35 H new ATOM 0 HB3 ASN A 2 -13.220 5.821 8.243 1.00 0.35 H new ATOM 0 HD21 ASN A 2 -15.300 6.034 11.198 1.00 1.11 H new ATOM 0 HD22 ASN A 2 -15.084 6.599 9.538 1.00 1.11 H new ATOM 31 N PHE A 3 -12.561 4.387 6.089 1.00 0.35 N ATOM 32 CA PHE A 3 -11.811 4.123 4.815 1.00 0.16 C ATOM 33 C PHE A 3 -12.587 4.679 3.614 1.00 0.18 C ATOM 34 O PHE A 3 -12.032 5.362 2.776 1.00 0.24 O ATOM 35 CB PHE A 3 -11.592 2.622 4.589 1.00 0.21 C ATOM 36 CG PHE A 3 -10.745 2.029 5.688 1.00 0.18 C ATOM 37 CD1 PHE A 3 -11.341 1.582 6.875 1.00 0.18 C ATOM 38 CD2 PHE A 3 -9.363 1.893 5.507 1.00 0.16 C ATOM 39 CE1 PHE A 3 -10.567 1.000 7.868 1.00 0.17 C ATOM 40 CE2 PHE A 3 -8.587 1.313 6.514 1.00 0.15 C ATOM 41 CZ PHE A 3 -9.193 0.862 7.693 1.00 0.16 C ATOM 0 H PHE A 3 -12.224 5.192 6.618 1.00 0.35 H new ATOM 0 HA PHE A 3 -10.844 4.617 4.907 1.00 0.16 H new ATOM 0 HB2 PHE A 3 -12.554 2.112 4.551 1.00 0.21 H new ATOM 0 HB3 PHE A 3 -11.108 2.462 3.625 1.00 0.21 H new ATOM 0 HD1 PHE A 3 -12.406 1.691 7.017 1.00 0.18 H new ATOM 0 HD2 PHE A 3 -8.899 2.235 4.593 1.00 0.16 H new ATOM 0 HE1 PHE A 3 -11.032 0.653 8.779 1.00 0.17 H new ATOM 0 HE2 PHE A 3 -7.520 1.213 6.383 1.00 0.15 H new ATOM 0 HZ PHE A 3 -8.594 0.407 8.467 1.00 0.16 H new ATOM 51 N SER A 4 -13.860 4.376 3.511 1.00 0.19 N ATOM 52 CA SER A 4 -14.666 4.868 2.352 1.00 0.21 C ATOM 53 C SER A 4 -14.425 6.368 2.140 1.00 0.22 C ATOM 54 O SER A 4 -14.745 7.182 2.984 1.00 0.26 O ATOM 55 CB SER A 4 -16.153 4.628 2.623 1.00 0.23 C ATOM 56 OG SER A 4 -16.664 5.678 3.435 1.00 0.61 O ATOM 0 H SER A 4 -14.375 3.807 4.183 1.00 0.19 H new ATOM 0 HA SER A 4 -14.363 4.327 1.456 1.00 0.21 H new ATOM 0 HB2 SER A 4 -16.702 4.582 1.682 1.00 0.23 H new ATOM 0 HB3 SER A 4 -16.292 3.668 3.121 1.00 0.23 H new ATOM 0 HG SER A 4 -15.921 6.211 3.787 1.00 0.61 H new ATOM 62 N GLY A 5 -13.860 6.737 1.021 1.00 0.23 N ATOM 63 CA GLY A 5 -13.597 8.181 0.757 1.00 0.25 C ATOM 64 C GLY A 5 -12.312 8.324 -0.045 1.00 0.25 C ATOM 65 O GLY A 5 -11.440 7.480 -0.003 1.00 0.24 O ATOM 0 H GLY A 5 -13.569 6.101 0.279 1.00 0.23 H new ATOM 0 HA2 GLY A 5 -14.431 8.619 0.209 1.00 0.25 H new ATOM 0 HA3 GLY A 5 -13.513 8.724 1.698 1.00 0.25 H new ATOM 69 N ASN A 6 -12.180 9.406 -0.750 1.00 0.28 N ATOM 70 CA ASN A 6 -10.942 9.640 -1.534 1.00 0.29 C ATOM 71 C ASN A 6 -9.872 10.075 -0.551 1.00 0.29 C ATOM 72 O ASN A 6 -10.179 10.460 0.561 1.00 0.30 O ATOM 73 CB ASN A 6 -11.178 10.738 -2.574 1.00 0.33 C ATOM 74 CG ASN A 6 -9.944 10.867 -3.470 1.00 0.48 C ATOM 75 OD1 ASN A 6 -8.937 11.412 -3.061 1.00 1.30 O ATOM 76 ND2 ASN A 6 -9.980 10.387 -4.683 1.00 0.49 N ATOM 0 H ASN A 6 -12.881 10.144 -0.818 1.00 0.28 H new ATOM 0 HA ASN A 6 -10.640 8.737 -2.064 1.00 0.29 H new ATOM 0 HB2 ASN A 6 -12.055 10.500 -3.177 1.00 0.33 H new ATOM 0 HB3 ASN A 6 -11.380 11.687 -2.077 1.00 0.33 H new ATOM 0 HD21 ASN A 6 -9.163 10.469 -5.288 1.00 0.49 H new ATOM 0 HD22 ASN A 6 -10.825 9.930 -5.026 1.00 0.49 H new ATOM 83 N TRP A 7 -8.624 9.993 -0.908 1.00 0.28 N ATOM 84 CA TRP A 7 -7.590 10.384 0.083 1.00 0.28 C ATOM 85 C TRP A 7 -6.477 11.207 -0.538 1.00 0.32 C ATOM 86 O TRP A 7 -5.884 10.839 -1.533 1.00 0.34 O ATOM 87 CB TRP A 7 -7.000 9.126 0.685 1.00 0.26 C ATOM 88 CG TRP A 7 -8.086 8.355 1.339 1.00 0.23 C ATOM 89 CD1 TRP A 7 -8.723 7.289 0.812 1.00 0.22 C ATOM 90 CD2 TRP A 7 -8.691 8.604 2.625 1.00 0.21 C ATOM 91 NE1 TRP A 7 -9.651 6.833 1.729 1.00 0.20 N ATOM 92 CE2 TRP A 7 -9.672 7.619 2.865 1.00 0.20 C ATOM 93 CE3 TRP A 7 -8.465 9.576 3.600 1.00 0.23 C ATOM 94 CZ2 TRP A 7 -10.409 7.602 4.049 1.00 0.20 C ATOM 95 CZ3 TRP A 7 -9.204 9.579 4.783 1.00 0.23 C ATOM 96 CH2 TRP A 7 -10.177 8.591 5.015 1.00 0.22 C ATOM 0 H TRP A 7 -8.281 9.681 -1.817 1.00 0.28 H new ATOM 0 HA TRP A 7 -8.068 11.002 0.844 1.00 0.28 H new ATOM 0 HB2 TRP A 7 -6.523 8.525 -0.089 1.00 0.26 H new ATOM 0 HB3 TRP A 7 -6.228 9.381 1.411 1.00 0.26 H new ATOM 0 HD1 TRP A 7 -8.539 6.863 -0.163 1.00 0.22 H new ATOM 0 HE1 TRP A 7 -10.246 6.017 1.585 1.00 0.20 H new ATOM 0 HE3 TRP A 7 -7.712 10.332 3.437 1.00 0.23 H new ATOM 0 HZ2 TRP A 7 -11.150 6.835 4.220 1.00 0.20 H new ATOM 0 HZ3 TRP A 7 -9.028 10.344 5.525 1.00 0.23 H new ATOM 0 HH2 TRP A 7 -10.744 8.594 5.934 1.00 0.22 H new ATOM 107 N LYS A 8 -6.172 12.314 0.078 1.00 0.33 N ATOM 108 CA LYS A 8 -5.074 13.171 -0.429 1.00 0.37 C ATOM 109 C LYS A 8 -3.781 12.750 0.274 1.00 0.37 C ATOM 110 O LYS A 8 -3.812 12.217 1.367 1.00 0.39 O ATOM 111 CB LYS A 8 -5.367 14.645 -0.122 1.00 0.40 C ATOM 112 CG LYS A 8 -6.881 14.886 -0.072 1.00 0.45 C ATOM 113 CD LYS A 8 -7.324 15.038 1.385 1.00 1.70 C ATOM 114 CE LYS A 8 -6.986 16.447 1.877 1.00 2.33 C ATOM 115 NZ LYS A 8 -7.580 17.454 0.952 1.00 3.18 N ATOM 0 H LYS A 8 -6.641 12.661 0.915 1.00 0.33 H new ATOM 0 HA LYS A 8 -4.980 13.055 -1.509 1.00 0.37 H new ATOM 0 HB2 LYS A 8 -4.916 14.922 0.831 1.00 0.40 H new ATOM 0 HB3 LYS A 8 -4.916 15.279 -0.885 1.00 0.40 H new ATOM 0 HG2 LYS A 8 -7.136 15.783 -0.637 1.00 0.45 H new ATOM 0 HG3 LYS A 8 -7.408 14.054 -0.539 1.00 0.45 H new ATOM 0 HD2 LYS A 8 -8.396 14.859 1.471 1.00 1.70 H new ATOM 0 HD3 LYS A 8 -6.826 14.295 2.007 1.00 1.70 H new ATOM 0 HE2 LYS A 8 -7.371 16.593 2.886 1.00 2.33 H new ATOM 0 HE3 LYS A 8 -5.905 16.577 1.927 1.00 2.33 H new ATOM 0 HZ1 LYS A 8 -7.653 18.371 1.437 1.00 3.18 H new ATOM 0 HZ2 LYS A 8 -6.975 17.554 0.112 1.00 3.18 H new ATOM 0 HZ3 LYS A 8 -8.528 17.141 0.660 1.00 3.18 H new ATOM 129 N ILE A 9 -2.649 12.974 -0.336 1.00 0.39 N ATOM 130 CA ILE A 9 -1.367 12.571 0.312 1.00 0.39 C ATOM 131 C ILE A 9 -1.094 13.478 1.516 1.00 0.40 C ATOM 132 O ILE A 9 -1.375 14.660 1.496 1.00 0.42 O ATOM 133 CB ILE A 9 -0.222 12.662 -0.713 1.00 0.43 C ATOM 134 CG1 ILE A 9 0.838 11.596 -0.391 1.00 0.82 C ATOM 135 CG2 ILE A 9 0.417 14.058 -0.697 1.00 0.84 C ATOM 136 CD1 ILE A 9 1.685 12.022 0.815 1.00 1.01 C ATOM 0 H ILE A 9 -2.556 13.416 -1.250 1.00 0.39 H new ATOM 0 HA ILE A 9 -1.437 11.541 0.663 1.00 0.39 H new ATOM 0 HB ILE A 9 -0.629 12.486 -1.709 1.00 0.43 H new ATOM 0 HG12 ILE A 9 0.351 10.643 -0.182 1.00 0.82 H new ATOM 0 HG13 ILE A 9 1.481 11.442 -1.257 1.00 0.82 H new ATOM 0 HG21 ILE A 9 1.223 14.098 -1.429 1.00 0.84 H new ATOM 0 HG22 ILE A 9 -0.336 14.806 -0.946 1.00 0.84 H new ATOM 0 HG23 ILE A 9 0.818 14.263 0.296 1.00 0.84 H new ATOM 0 HD11 ILE A 9 2.429 11.254 1.026 1.00 1.01 H new ATOM 0 HD12 ILE A 9 2.188 12.963 0.592 1.00 1.01 H new ATOM 0 HD13 ILE A 9 1.041 12.152 1.684 1.00 1.01 H new ATOM 148 N ILE A 10 -0.541 12.925 2.558 1.00 0.39 N ATOM 149 CA ILE A 10 -0.236 13.729 3.770 1.00 0.40 C ATOM 150 C ILE A 10 0.946 13.081 4.498 1.00 0.41 C ATOM 151 O ILE A 10 0.830 12.016 5.070 1.00 0.39 O ATOM 152 CB ILE A 10 -1.481 13.775 4.668 1.00 0.39 C ATOM 153 CG1 ILE A 10 -2.443 14.847 4.140 1.00 0.43 C ATOM 154 CG2 ILE A 10 -1.095 14.117 6.112 1.00 0.42 C ATOM 155 CD1 ILE A 10 -3.581 14.183 3.362 1.00 0.46 C ATOM 0 H ILE A 10 -0.285 11.940 2.621 1.00 0.39 H new ATOM 0 HA ILE A 10 0.031 14.751 3.503 1.00 0.40 H new ATOM 0 HB ILE A 10 -1.959 12.796 4.654 1.00 0.39 H new ATOM 0 HG12 ILE A 10 -2.847 15.427 4.970 1.00 0.43 H new ATOM 0 HG13 ILE A 10 -1.907 15.544 3.495 1.00 0.43 H new ATOM 0 HG21 ILE A 10 -1.991 14.145 6.731 1.00 0.42 H new ATOM 0 HG22 ILE A 10 -0.412 13.359 6.495 1.00 0.42 H new ATOM 0 HG23 ILE A 10 -0.607 15.091 6.137 1.00 0.42 H new ATOM 0 HD11 ILE A 10 -4.262 14.948 2.989 1.00 0.46 H new ATOM 0 HD12 ILE A 10 -3.169 13.623 2.522 1.00 0.46 H new ATOM 0 HD13 ILE A 10 -4.124 13.504 4.020 1.00 0.46 H new ATOM 167 N ARG A 11 2.087 13.716 4.459 1.00 0.49 N ATOM 168 CA ARG A 11 3.303 13.159 5.127 1.00 0.52 C ATOM 169 C ARG A 11 3.764 11.900 4.387 1.00 0.48 C ATOM 170 O ARG A 11 3.110 10.876 4.413 1.00 0.62 O ATOM 171 CB ARG A 11 2.993 12.818 6.592 1.00 0.56 C ATOM 172 CG ARG A 11 3.567 13.906 7.503 1.00 0.91 C ATOM 173 CD ARG A 11 2.924 15.252 7.160 1.00 1.55 C ATOM 174 NE ARG A 11 3.017 16.163 8.336 1.00 2.35 N ATOM 175 CZ ARG A 11 1.944 16.744 8.798 1.00 3.04 C ATOM 176 NH1 ARG A 11 0.833 16.069 8.910 1.00 3.78 N ATOM 177 NH2 ARG A 11 1.983 18.000 9.150 1.00 3.47 N ATOM 0 H ARG A 11 2.231 14.609 3.987 1.00 0.49 H new ATOM 0 HA ARG A 11 4.097 13.905 5.100 1.00 0.52 H new ATOM 0 HB2 ARG A 11 1.916 12.738 6.738 1.00 0.56 H new ATOM 0 HB3 ARG A 11 3.422 11.850 6.850 1.00 0.56 H new ATOM 0 HG2 ARG A 11 3.379 13.657 8.547 1.00 0.91 H new ATOM 0 HG3 ARG A 11 4.648 13.966 7.379 1.00 0.91 H new ATOM 0 HD2 ARG A 11 3.425 15.698 6.301 1.00 1.55 H new ATOM 0 HD3 ARG A 11 1.880 15.108 6.880 1.00 1.55 H new ATOM 0 HE ARG A 11 3.920 16.332 8.780 1.00 2.35 H new ATOM 0 HH11 ARG A 11 0.803 15.087 8.636 1.00 3.78 H new ATOM 0 HH12 ARG A 11 -0.006 16.523 9.271 1.00 3.78 H new ATOM 0 HH21 ARG A 11 2.852 18.527 9.064 1.00 3.47 H new ATOM 0 HH22 ARG A 11 1.144 18.455 9.511 1.00 3.47 H new ATOM 191 N SER A 12 4.889 11.976 3.725 1.00 0.52 N ATOM 192 CA SER A 12 5.406 10.794 2.976 1.00 0.54 C ATOM 193 C SER A 12 6.927 10.899 2.846 1.00 0.69 C ATOM 194 O SER A 12 7.444 11.815 2.237 1.00 1.31 O ATOM 195 CB SER A 12 4.783 10.764 1.580 1.00 0.63 C ATOM 196 OG SER A 12 4.681 9.416 1.138 1.00 0.85 O ATOM 0 H SER A 12 5.474 12.810 3.671 1.00 0.52 H new ATOM 0 HA SER A 12 5.146 9.882 3.513 1.00 0.54 H new ATOM 0 HB2 SER A 12 3.797 11.228 1.600 1.00 0.63 H new ATOM 0 HB3 SER A 12 5.393 11.341 0.885 1.00 0.63 H new ATOM 0 HG SER A 12 4.751 9.386 0.161 1.00 0.85 H new ATOM 202 N GLU A 13 7.647 9.967 3.410 1.00 0.46 N ATOM 203 CA GLU A 13 9.135 10.010 3.317 1.00 0.54 C ATOM 204 C GLU A 13 9.695 8.611 3.575 1.00 0.52 C ATOM 205 O GLU A 13 10.360 8.367 4.563 1.00 0.92 O ATOM 206 CB GLU A 13 9.685 10.985 4.361 1.00 0.66 C ATOM 207 CG GLU A 13 11.088 11.437 3.948 1.00 0.84 C ATOM 208 CD GLU A 13 11.692 12.304 5.054 1.00 1.07 C ATOM 209 OE1 GLU A 13 11.010 13.206 5.512 1.00 1.57 O ATOM 210 OE2 GLU A 13 12.827 12.051 5.425 1.00 1.61 O ATOM 0 H GLU A 13 7.268 9.177 3.932 1.00 0.46 H new ATOM 0 HA GLU A 13 9.431 10.344 2.323 1.00 0.54 H new ATOM 0 HB2 GLU A 13 9.025 11.848 4.451 1.00 0.66 H new ATOM 0 HB3 GLU A 13 9.719 10.506 5.339 1.00 0.66 H new ATOM 0 HG2 GLU A 13 11.722 10.569 3.765 1.00 0.84 H new ATOM 0 HG3 GLU A 13 11.040 12.000 3.016 1.00 0.84 H new ATOM 217 N ASN A 14 9.420 7.687 2.695 1.00 0.52 N ATOM 218 CA ASN A 14 9.922 6.297 2.887 1.00 0.46 C ATOM 219 C ASN A 14 10.473 5.736 1.568 1.00 0.45 C ATOM 220 O ASN A 14 11.174 4.747 1.566 1.00 0.42 O ATOM 221 CB ASN A 14 8.772 5.414 3.368 1.00 0.46 C ATOM 222 CG ASN A 14 8.843 5.264 4.890 1.00 0.53 C ATOM 223 OD1 ASN A 14 9.092 4.187 5.395 1.00 1.25 O ATOM 224 ND2 ASN A 14 8.635 6.307 5.646 1.00 1.22 N ATOM 0 H ASN A 14 8.868 7.835 1.850 1.00 0.52 H new ATOM 0 HA ASN A 14 10.724 6.309 3.625 1.00 0.46 H new ATOM 0 HB2 ASN A 14 7.817 5.854 3.080 1.00 0.46 H new ATOM 0 HB3 ASN A 14 8.828 4.435 2.893 1.00 0.46 H new ATOM 0 HD21 ASN A 14 8.681 6.219 6.661 1.00 1.22 H new ATOM 0 HD22 ASN A 14 8.426 7.211 5.222 1.00 1.22 H new ATOM 231 N PHE A 15 10.153 6.348 0.450 1.00 0.49 N ATOM 232 CA PHE A 15 10.645 5.838 -0.874 1.00 0.51 C ATOM 233 C PHE A 15 12.141 5.503 -0.809 1.00 0.50 C ATOM 234 O PHE A 15 12.548 4.404 -1.131 1.00 0.48 O ATOM 235 CB PHE A 15 10.405 6.905 -1.953 1.00 0.59 C ATOM 236 CG PHE A 15 10.325 6.262 -3.328 1.00 0.78 C ATOM 237 CD1 PHE A 15 11.140 5.169 -3.649 1.00 0.86 C ATOM 238 CD2 PHE A 15 9.438 6.768 -4.286 1.00 1.58 C ATOM 239 CE1 PHE A 15 11.070 4.584 -4.914 1.00 1.11 C ATOM 240 CE2 PHE A 15 9.370 6.181 -5.558 1.00 2.12 C ATOM 241 CZ PHE A 15 10.189 5.086 -5.868 1.00 1.76 C ATOM 0 H PHE A 15 9.569 7.183 0.397 1.00 0.49 H new ATOM 0 HA PHE A 15 10.097 4.928 -1.121 1.00 0.51 H new ATOM 0 HB2 PHE A 15 9.481 7.443 -1.742 1.00 0.59 H new ATOM 0 HB3 PHE A 15 11.212 7.638 -1.934 1.00 0.59 H new ATOM 0 HD1 PHE A 15 11.826 4.777 -2.913 1.00 0.86 H new ATOM 0 HD2 PHE A 15 8.806 7.610 -4.045 1.00 1.58 H new ATOM 0 HE1 PHE A 15 11.700 3.740 -5.153 1.00 1.11 H new ATOM 0 HE2 PHE A 15 8.687 6.572 -6.298 1.00 2.12 H new ATOM 0 HZ PHE A 15 10.136 4.632 -6.847 1.00 1.76 H new ATOM 251 N GLU A 16 12.966 6.422 -0.409 1.00 0.53 N ATOM 252 CA GLU A 16 14.423 6.115 -0.349 1.00 0.54 C ATOM 253 C GLU A 16 14.663 5.025 0.689 1.00 0.50 C ATOM 254 O GLU A 16 15.469 4.136 0.491 1.00 0.49 O ATOM 255 CB GLU A 16 15.214 7.375 0.014 1.00 0.60 C ATOM 256 CG GLU A 16 14.722 7.928 1.354 1.00 1.52 C ATOM 257 CD GLU A 16 15.461 9.229 1.668 1.00 1.82 C ATOM 258 OE1 GLU A 16 16.681 9.201 1.706 1.00 2.40 O ATOM 259 OE2 GLU A 16 14.796 10.233 1.866 1.00 2.16 O ATOM 0 H GLU A 16 12.702 7.365 -0.123 1.00 0.53 H new ATOM 0 HA GLU A 16 14.761 5.766 -1.325 1.00 0.54 H new ATOM 0 HB2 GLU A 16 16.277 7.143 0.074 1.00 0.60 H new ATOM 0 HB3 GLU A 16 15.095 8.127 -0.766 1.00 0.60 H new ATOM 0 HG2 GLU A 16 13.648 8.108 1.313 1.00 1.52 H new ATOM 0 HG3 GLU A 16 14.894 7.199 2.146 1.00 1.52 H new ATOM 266 N GLU A 17 13.952 5.064 1.782 1.00 0.47 N ATOM 267 CA GLU A 17 14.125 4.003 2.810 1.00 0.44 C ATOM 268 C GLU A 17 13.825 2.648 2.162 1.00 0.40 C ATOM 269 O GLU A 17 14.267 1.617 2.622 1.00 0.38 O ATOM 270 CB GLU A 17 13.154 4.244 3.965 1.00 0.43 C ATOM 271 CG GLU A 17 13.792 3.792 5.279 1.00 0.68 C ATOM 272 CD GLU A 17 13.141 4.538 6.445 1.00 0.65 C ATOM 273 OE1 GLU A 17 12.020 4.199 6.787 1.00 1.29 O ATOM 274 OE2 GLU A 17 13.774 5.436 6.975 1.00 1.34 O ATOM 0 H GLU A 17 13.262 5.781 2.006 1.00 0.47 H new ATOM 0 HA GLU A 17 15.144 4.018 3.195 1.00 0.44 H new ATOM 0 HB2 GLU A 17 12.895 5.301 4.020 1.00 0.43 H new ATOM 0 HB3 GLU A 17 12.227 3.697 3.793 1.00 0.43 H new ATOM 0 HG2 GLU A 17 13.666 2.717 5.406 1.00 0.68 H new ATOM 0 HG3 GLU A 17 14.864 3.988 5.261 1.00 0.68 H new ATOM 281 N LEU A 18 13.075 2.655 1.086 1.00 0.39 N ATOM 282 CA LEU A 18 12.738 1.388 0.387 1.00 0.37 C ATOM 283 C LEU A 18 13.951 0.895 -0.379 1.00 0.40 C ATOM 284 O LEU A 18 14.362 -0.241 -0.254 1.00 0.40 O ATOM 285 CB LEU A 18 11.615 1.627 -0.625 1.00 0.38 C ATOM 286 CG LEU A 18 10.564 2.597 -0.091 1.00 0.38 C ATOM 287 CD1 LEU A 18 9.339 2.524 -0.993 1.00 0.40 C ATOM 288 CD2 LEU A 18 10.156 2.231 1.334 1.00 0.33 C ATOM 0 H LEU A 18 12.681 3.496 0.663 1.00 0.39 H new ATOM 0 HA LEU A 18 12.425 0.656 1.132 1.00 0.37 H new ATOM 0 HB2 LEU A 18 12.037 2.022 -1.549 1.00 0.38 H new ATOM 0 HB3 LEU A 18 11.140 0.677 -0.872 1.00 0.38 H new ATOM 0 HG LEU A 18 10.982 3.604 -0.082 1.00 0.38 H new ATOM 0 HD11 LEU A 18 8.576 3.211 -0.627 1.00 0.40 H new ATOM 0 HD12 LEU A 18 9.619 2.801 -2.010 1.00 0.40 H new ATOM 0 HD13 LEU A 18 8.944 1.508 -0.989 1.00 0.40 H new ATOM 0 HD21 LEU A 18 9.407 2.937 1.691 1.00 0.33 H new ATOM 0 HD22 LEU A 18 9.740 1.224 1.346 1.00 0.33 H new ATOM 0 HD23 LEU A 18 11.030 2.270 1.984 1.00 0.33 H new ATOM 300 N LEU A 19 14.519 1.741 -1.187 1.00 0.45 N ATOM 301 CA LEU A 19 15.699 1.317 -1.973 1.00 0.49 C ATOM 302 C LEU A 19 16.941 1.338 -1.073 1.00 0.50 C ATOM 303 O LEU A 19 18.037 1.031 -1.501 1.00 0.56 O ATOM 304 CB LEU A 19 15.889 2.254 -3.174 1.00 0.56 C ATOM 305 CG LEU A 19 14.575 2.383 -3.974 1.00 0.58 C ATOM 306 CD1 LEU A 19 13.728 1.109 -3.849 1.00 0.53 C ATOM 307 CD2 LEU A 19 13.776 3.571 -3.446 1.00 0.62 C ATOM 0 H LEU A 19 14.217 2.704 -1.335 1.00 0.45 H new ATOM 0 HA LEU A 19 15.548 0.304 -2.346 1.00 0.49 H new ATOM 0 HB2 LEU A 19 16.209 3.237 -2.828 1.00 0.56 H new ATOM 0 HB3 LEU A 19 16.679 1.871 -3.820 1.00 0.56 H new ATOM 0 HG LEU A 19 14.824 2.533 -5.024 1.00 0.58 H new ATOM 0 HD11 LEU A 19 12.808 1.226 -4.422 1.00 0.53 H new ATOM 0 HD12 LEU A 19 14.290 0.259 -4.235 1.00 0.53 H new ATOM 0 HD13 LEU A 19 13.483 0.936 -2.801 1.00 0.53 H new ATOM 0 HD21 LEU A 19 12.848 3.664 -4.009 1.00 0.62 H new ATOM 0 HD22 LEU A 19 13.547 3.416 -2.392 1.00 0.62 H new ATOM 0 HD23 LEU A 19 14.362 4.483 -3.559 1.00 0.62 H new ATOM 319 N LYS A 20 16.770 1.694 0.176 1.00 0.47 N ATOM 320 CA LYS A 20 17.914 1.735 1.121 1.00 0.50 C ATOM 321 C LYS A 20 17.863 0.504 2.028 1.00 0.47 C ATOM 322 O LYS A 20 18.871 0.041 2.524 1.00 0.50 O ATOM 323 CB LYS A 20 17.799 2.993 1.982 1.00 0.53 C ATOM 324 CG LYS A 20 18.533 4.151 1.305 1.00 0.59 C ATOM 325 CD LYS A 20 18.761 5.279 2.318 1.00 0.63 C ATOM 326 CE LYS A 20 20.261 5.554 2.454 1.00 1.22 C ATOM 327 NZ LYS A 20 20.527 6.227 3.757 1.00 1.63 N ATOM 0 H LYS A 20 15.872 1.960 0.580 1.00 0.47 H new ATOM 0 HA LYS A 20 18.852 1.745 0.567 1.00 0.50 H new ATOM 0 HB2 LYS A 20 16.750 3.251 2.128 1.00 0.53 H new ATOM 0 HB3 LYS A 20 18.222 2.809 2.969 1.00 0.53 H new ATOM 0 HG2 LYS A 20 19.488 3.807 0.908 1.00 0.59 H new ATOM 0 HG3 LYS A 20 17.951 4.519 0.460 1.00 0.59 H new ATOM 0 HD2 LYS A 20 18.244 6.182 1.994 1.00 0.63 H new ATOM 0 HD3 LYS A 20 18.343 5.002 3.286 1.00 0.63 H new ATOM 0 HE2 LYS A 20 20.820 4.620 2.394 1.00 1.22 H new ATOM 0 HE3 LYS A 20 20.602 6.183 1.632 1.00 1.22 H new ATOM 0 HZ1 LYS A 20 21.546 6.414 3.850 1.00 1.63 H new ATOM 0 HZ2 LYS A 20 20.005 7.126 3.796 1.00 1.63 H new ATOM 0 HZ3 LYS A 20 20.216 5.612 4.535 1.00 1.63 H new ATOM 341 N VAL A 21 16.688 -0.019 2.255 1.00 0.42 N ATOM 342 CA VAL A 21 16.550 -1.207 3.135 1.00 0.41 C ATOM 343 C VAL A 21 16.628 -2.480 2.297 1.00 0.39 C ATOM 344 O VAL A 21 17.151 -3.485 2.737 1.00 0.41 O ATOM 345 CB VAL A 21 15.206 -1.149 3.859 1.00 0.38 C ATOM 346 CG1 VAL A 21 15.173 0.074 4.777 1.00 0.43 C ATOM 347 CG2 VAL A 21 14.068 -1.056 2.839 1.00 0.33 C ATOM 0 H VAL A 21 15.813 0.331 1.864 1.00 0.42 H new ATOM 0 HA VAL A 21 17.357 -1.211 3.868 1.00 0.41 H new ATOM 0 HB VAL A 21 15.080 -2.054 4.453 1.00 0.38 H new ATOM 0 HG11 VAL A 21 14.214 0.115 5.294 1.00 0.43 H new ATOM 0 HG12 VAL A 21 15.977 0.001 5.509 1.00 0.43 H new ATOM 0 HG13 VAL A 21 15.304 0.978 4.183 1.00 0.43 H new ATOM 0 HG21 VAL A 21 13.113 -1.015 3.362 1.00 0.33 H new ATOM 0 HG22 VAL A 21 14.191 -0.155 2.238 1.00 0.33 H new ATOM 0 HG23 VAL A 21 14.089 -1.931 2.190 1.00 0.33 H new ATOM 357 N LEU A 22 16.130 -2.449 1.085 1.00 0.39 N ATOM 358 CA LEU A 22 16.207 -3.668 0.232 1.00 0.40 C ATOM 359 C LEU A 22 17.672 -4.094 0.126 1.00 0.43 C ATOM 360 O LEU A 22 17.982 -5.231 -0.171 1.00 0.49 O ATOM 361 CB LEU A 22 15.628 -3.387 -1.168 1.00 0.45 C ATOM 362 CG LEU A 22 16.278 -2.159 -1.814 1.00 0.52 C ATOM 363 CD1 LEU A 22 17.721 -2.468 -2.225 1.00 0.74 C ATOM 364 CD2 LEU A 22 15.477 -1.793 -3.064 1.00 1.29 C ATOM 0 H LEU A 22 15.679 -1.641 0.656 1.00 0.39 H new ATOM 0 HA LEU A 22 15.619 -4.468 0.681 1.00 0.40 H new ATOM 0 HB2 LEU A 22 15.780 -4.257 -1.806 1.00 0.45 H new ATOM 0 HB3 LEU A 22 14.552 -3.232 -1.092 1.00 0.45 H new ATOM 0 HG LEU A 22 16.285 -1.337 -1.099 1.00 0.52 H new ATOM 0 HD11 LEU A 22 18.166 -1.584 -2.682 1.00 0.74 H new ATOM 0 HD12 LEU A 22 18.298 -2.751 -1.344 1.00 0.74 H new ATOM 0 HD13 LEU A 22 17.727 -3.289 -2.942 1.00 0.74 H new ATOM 0 HD21 LEU A 22 15.924 -0.920 -3.540 1.00 1.29 H new ATOM 0 HD22 LEU A 22 15.487 -2.631 -3.761 1.00 1.29 H new ATOM 0 HD23 LEU A 22 14.448 -1.567 -2.784 1.00 1.29 H new ATOM 376 N GLY A 23 18.577 -3.180 0.376 1.00 0.44 N ATOM 377 CA GLY A 23 20.019 -3.513 0.302 1.00 0.50 C ATOM 378 C GLY A 23 20.740 -2.466 -0.531 1.00 0.54 C ATOM 379 O GLY A 23 21.103 -2.707 -1.666 1.00 0.58 O ATOM 0 H GLY A 23 18.370 -2.214 0.629 1.00 0.44 H new ATOM 0 HA2 GLY A 23 20.446 -3.552 1.304 1.00 0.50 H new ATOM 0 HA3 GLY A 23 20.153 -4.500 -0.140 1.00 0.50 H new ATOM 383 N VAL A 24 20.947 -1.304 0.025 1.00 0.58 N ATOM 384 CA VAL A 24 21.651 -0.223 -0.725 1.00 0.68 C ATOM 385 C VAL A 24 22.872 -0.807 -1.446 1.00 0.75 C ATOM 386 O VAL A 24 23.565 -1.663 -0.931 1.00 0.78 O ATOM 387 CB VAL A 24 22.078 0.877 0.258 1.00 0.75 C ATOM 388 CG1 VAL A 24 23.606 0.927 0.390 1.00 0.86 C ATOM 389 CG2 VAL A 24 21.578 2.232 -0.250 1.00 0.80 C ATOM 0 H VAL A 24 20.658 -1.055 0.971 1.00 0.58 H new ATOM 0 HA VAL A 24 20.983 0.208 -1.471 1.00 0.68 H new ATOM 0 HB VAL A 24 21.647 0.655 1.234 1.00 0.75 H new ATOM 0 HG11 VAL A 24 23.885 1.713 1.091 1.00 0.86 H new ATOM 0 HG12 VAL A 24 23.971 -0.032 0.757 1.00 0.86 H new ATOM 0 HG13 VAL A 24 24.049 1.136 -0.584 1.00 0.86 H new ATOM 0 HG21 VAL A 24 21.879 3.015 0.446 1.00 0.80 H new ATOM 0 HG22 VAL A 24 22.007 2.434 -1.231 1.00 0.80 H new ATOM 0 HG23 VAL A 24 20.491 2.213 -0.326 1.00 0.80 H new ATOM 399 N ASN A 25 23.126 -0.348 -2.634 1.00 0.80 N ATOM 400 CA ASN A 25 24.285 -0.856 -3.418 1.00 0.89 C ATOM 401 C ASN A 25 24.301 -0.105 -4.739 1.00 0.99 C ATOM 402 O ASN A 25 24.068 -0.669 -5.788 1.00 1.01 O ATOM 403 CB ASN A 25 24.121 -2.358 -3.675 1.00 0.84 C ATOM 404 CG ASN A 25 25.389 -2.905 -4.335 1.00 1.58 C ATOM 405 OD1 ASN A 25 26.437 -2.295 -4.265 1.00 2.26 O ATOM 406 ND2 ASN A 25 25.336 -4.040 -4.978 1.00 2.17 N ATOM 0 H ASN A 25 22.573 0.368 -3.104 1.00 0.80 H new ATOM 0 HA ASN A 25 25.217 -0.702 -2.874 1.00 0.89 H new ATOM 0 HB2 ASN A 25 23.933 -2.880 -2.737 1.00 0.84 H new ATOM 0 HB3 ASN A 25 23.258 -2.536 -4.317 1.00 0.84 H new ATOM 0 HD21 ASN A 25 26.175 -4.415 -5.422 1.00 2.17 H new ATOM 0 HD22 ASN A 25 24.456 -4.552 -5.037 1.00 2.17 H new ATOM 413 N VAL A 26 24.537 1.180 -4.671 1.00 1.09 N ATOM 414 CA VAL A 26 24.539 2.047 -5.888 1.00 1.21 C ATOM 415 C VAL A 26 23.126 2.587 -6.109 1.00 1.18 C ATOM 416 O VAL A 26 22.929 3.550 -6.825 1.00 1.31 O ATOM 417 CB VAL A 26 24.997 1.279 -7.132 1.00 1.28 C ATOM 418 CG1 VAL A 26 25.119 2.249 -8.306 1.00 1.43 C ATOM 419 CG2 VAL A 26 26.355 0.625 -6.860 1.00 1.34 C ATOM 0 H VAL A 26 24.733 1.676 -3.802 1.00 1.09 H new ATOM 0 HA VAL A 26 25.242 2.864 -5.729 1.00 1.21 H new ATOM 0 HB VAL A 26 24.268 0.505 -7.373 1.00 1.28 H new ATOM 0 HG11 VAL A 26 25.445 1.707 -9.194 1.00 1.43 H new ATOM 0 HG12 VAL A 26 24.151 2.711 -8.498 1.00 1.43 H new ATOM 0 HG13 VAL A 26 25.849 3.022 -8.065 1.00 1.43 H new ATOM 0 HG21 VAL A 26 26.680 0.079 -7.746 1.00 1.34 H new ATOM 0 HG22 VAL A 26 27.088 1.395 -6.619 1.00 1.34 H new ATOM 0 HG23 VAL A 26 26.265 -0.065 -6.021 1.00 1.34 H new ATOM 429 N MET A 27 22.141 2.001 -5.472 1.00 1.05 N ATOM 430 CA MET A 27 20.758 2.511 -5.618 1.00 1.06 C ATOM 431 C MET A 27 20.762 3.937 -5.088 1.00 1.18 C ATOM 432 O MET A 27 20.556 4.884 -5.822 1.00 1.50 O ATOM 433 CB MET A 27 19.801 1.654 -4.783 1.00 0.94 C ATOM 434 CG MET A 27 20.039 0.164 -5.063 1.00 0.87 C ATOM 435 SD MET A 27 18.754 -0.458 -6.176 1.00 0.98 S ATOM 436 CE MET A 27 19.753 -1.736 -6.978 1.00 1.55 C ATOM 0 H MET A 27 22.243 1.192 -4.859 1.00 1.05 H new ATOM 0 HA MET A 27 20.431 2.476 -6.657 1.00 1.06 H new ATOM 0 HB2 MET A 27 19.948 1.860 -3.723 1.00 0.94 H new ATOM 0 HB3 MET A 27 18.769 1.915 -5.018 1.00 0.94 H new ATOM 0 HG2 MET A 27 21.022 0.020 -5.510 1.00 0.87 H new ATOM 0 HG3 MET A 27 20.029 -0.398 -4.129 1.00 0.87 H new ATOM 0 HE1 MET A 27 19.148 -2.259 -7.719 1.00 1.55 H new ATOM 0 HE2 MET A 27 20.609 -1.274 -7.469 1.00 1.55 H new ATOM 0 HE3 MET A 27 20.104 -2.447 -6.230 1.00 1.55 H new ATOM 446 N LEU A 28 21.042 4.092 -3.817 1.00 1.11 N ATOM 447 CA LEU A 28 21.112 5.453 -3.221 1.00 1.25 C ATOM 448 C LEU A 28 19.920 6.285 -3.701 1.00 1.32 C ATOM 449 O LEU A 28 20.055 7.154 -4.540 1.00 1.53 O ATOM 450 CB LEU A 28 22.427 6.092 -3.667 1.00 1.33 C ATOM 451 CG LEU A 28 23.412 6.144 -2.493 1.00 1.38 C ATOM 452 CD1 LEU A 28 22.822 6.980 -1.353 1.00 1.67 C ATOM 453 CD2 LEU A 28 23.687 4.721 -1.997 1.00 1.41 C ATOM 0 H LEU A 28 21.225 3.327 -3.167 1.00 1.11 H new ATOM 0 HA LEU A 28 21.075 5.403 -2.133 1.00 1.25 H new ATOM 0 HB2 LEU A 28 22.858 5.520 -4.489 1.00 1.33 H new ATOM 0 HB3 LEU A 28 22.242 7.099 -4.042 1.00 1.33 H new ATOM 0 HG LEU A 28 24.344 6.602 -2.825 1.00 1.38 H new ATOM 0 HD11 LEU A 28 23.527 7.012 -0.523 1.00 1.67 H new ATOM 0 HD12 LEU A 28 22.631 7.993 -1.706 1.00 1.67 H new ATOM 0 HD13 LEU A 28 21.887 6.530 -1.018 1.00 1.67 H new ATOM 0 HD21 LEU A 28 24.387 4.756 -1.162 1.00 1.41 H new ATOM 0 HD22 LEU A 28 22.754 4.263 -1.669 1.00 1.41 H new ATOM 0 HD23 LEU A 28 24.116 4.130 -2.806 1.00 1.41 H new ATOM 465 N ARG A 29 18.745 5.998 -3.198 1.00 1.32 N ATOM 466 CA ARG A 29 17.534 6.743 -3.652 1.00 1.45 C ATOM 467 C ARG A 29 17.379 6.530 -5.160 1.00 1.47 C ATOM 468 O ARG A 29 16.734 7.298 -5.844 1.00 1.63 O ATOM 469 CB ARG A 29 17.696 8.238 -3.362 1.00 1.66 C ATOM 470 CG ARG A 29 18.009 8.444 -1.879 1.00 2.26 C ATOM 471 CD ARG A 29 18.867 9.699 -1.711 1.00 2.70 C ATOM 472 NE ARG A 29 18.030 10.909 -1.948 1.00 3.09 N ATOM 473 CZ ARG A 29 18.464 12.084 -1.584 1.00 3.56 C ATOM 474 NH1 ARG A 29 19.301 12.735 -2.344 1.00 3.97 N ATOM 475 NH2 ARG A 29 18.063 12.607 -0.458 1.00 4.07 N ATOM 0 H ARG A 29 18.574 5.281 -2.493 1.00 1.32 H new ATOM 0 HA ARG A 29 16.654 6.379 -3.122 1.00 1.45 H new ATOM 0 HB2 ARG A 29 18.497 8.652 -3.974 1.00 1.66 H new ATOM 0 HB3 ARG A 29 16.783 8.771 -3.629 1.00 1.66 H new ATOM 0 HG2 ARG A 29 17.084 8.544 -1.311 1.00 2.26 H new ATOM 0 HG3 ARG A 29 18.534 7.575 -1.483 1.00 2.26 H new ATOM 0 HD2 ARG A 29 19.293 9.729 -0.708 1.00 2.70 H new ATOM 0 HD3 ARG A 29 19.702 9.678 -2.412 1.00 2.70 H new ATOM 0 HE ARG A 29 17.118 10.818 -2.395 1.00 3.09 H new ATOM 0 HH11 ARG A 29 19.616 12.325 -3.223 1.00 3.97 H new ATOM 0 HH12 ARG A 29 19.640 13.654 -2.059 1.00 3.97 H new ATOM 0 HH21 ARG A 29 17.410 12.097 0.137 1.00 4.07 H new ATOM 0 HH22 ARG A 29 18.402 13.526 -0.173 1.00 4.07 H new ATOM 489 N LYS A 30 17.990 5.489 -5.674 1.00 1.37 N ATOM 490 CA LYS A 30 17.925 5.186 -7.135 1.00 1.48 C ATOM 491 C LYS A 30 18.093 6.467 -7.964 1.00 1.86 C ATOM 492 O LYS A 30 17.636 6.550 -9.087 1.00 2.27 O ATOM 493 CB LYS A 30 16.595 4.510 -7.459 1.00 1.38 C ATOM 494 CG LYS A 30 16.836 3.015 -7.680 1.00 1.12 C ATOM 495 CD LYS A 30 15.556 2.360 -8.202 1.00 1.22 C ATOM 496 CE LYS A 30 15.917 1.218 -9.153 1.00 1.75 C ATOM 497 NZ LYS A 30 14.769 0.950 -10.064 1.00 2.05 N ATOM 0 H LYS A 30 18.541 4.825 -5.130 1.00 1.37 H new ATOM 0 HA LYS A 30 18.741 4.510 -7.392 1.00 1.48 H new ATOM 0 HB2 LYS A 30 15.888 4.661 -6.643 1.00 1.38 H new ATOM 0 HB3 LYS A 30 16.153 4.956 -8.350 1.00 1.38 H new ATOM 0 HG2 LYS A 30 17.648 2.869 -8.392 1.00 1.12 H new ATOM 0 HG3 LYS A 30 17.143 2.544 -6.746 1.00 1.12 H new ATOM 0 HD2 LYS A 30 14.964 1.980 -7.369 1.00 1.22 H new ATOM 0 HD3 LYS A 30 14.942 3.098 -8.719 1.00 1.22 H new ATOM 0 HE2 LYS A 30 16.802 1.479 -9.733 1.00 1.75 H new ATOM 0 HE3 LYS A 30 16.162 0.321 -8.585 1.00 1.75 H new ATOM 0 HZ1 LYS A 30 15.013 0.173 -10.711 1.00 2.05 H new ATOM 0 HZ2 LYS A 30 13.935 0.683 -9.503 1.00 2.05 H new ATOM 0 HZ3 LYS A 30 14.556 1.806 -10.615 1.00 2.05 H new ATOM 511 N ILE A 31 18.767 7.451 -7.414 1.00 1.96 N ATOM 512 CA ILE A 31 19.010 8.741 -8.136 1.00 2.46 C ATOM 513 C ILE A 31 17.887 9.038 -9.139 1.00 2.52 C ATOM 514 O ILE A 31 18.133 9.342 -10.290 1.00 2.85 O ATOM 515 CB ILE A 31 20.353 8.654 -8.862 1.00 2.73 C ATOM 516 CG1 ILE A 31 21.396 8.013 -7.933 1.00 2.67 C ATOM 517 CG2 ILE A 31 20.812 10.059 -9.254 1.00 3.02 C ATOM 518 CD1 ILE A 31 21.694 6.588 -8.403 1.00 3.05 C ATOM 0 H ILE A 31 19.166 7.412 -6.476 1.00 1.96 H new ATOM 0 HA ILE A 31 19.028 9.554 -7.410 1.00 2.46 H new ATOM 0 HB ILE A 31 20.243 8.045 -9.759 1.00 2.73 H new ATOM 0 HG12 ILE A 31 22.311 8.606 -7.933 1.00 2.67 H new ATOM 0 HG13 ILE A 31 21.025 7.999 -6.908 1.00 2.67 H new ATOM 0 HG21 ILE A 31 21.769 9.998 -9.772 1.00 3.02 H new ATOM 0 HG22 ILE A 31 20.072 10.513 -9.913 1.00 3.02 H new ATOM 0 HG23 ILE A 31 20.923 10.669 -8.357 1.00 3.02 H new ATOM 0 HD11 ILE A 31 22.434 6.135 -7.743 1.00 3.05 H new ATOM 0 HD12 ILE A 31 20.778 5.998 -8.380 1.00 3.05 H new ATOM 0 HD13 ILE A 31 22.083 6.614 -9.421 1.00 3.05 H new ATOM 530 N ALA A 32 16.656 8.953 -8.706 1.00 2.49 N ATOM 531 CA ALA A 32 15.515 9.231 -9.626 1.00 2.57 C ATOM 532 C ALA A 32 14.203 9.178 -8.838 1.00 2.28 C ATOM 533 O ALA A 32 13.309 9.973 -9.049 1.00 2.54 O ATOM 534 CB ALA A 32 15.487 8.178 -10.736 1.00 2.76 C ATOM 0 H ALA A 32 16.392 8.703 -7.753 1.00 2.49 H new ATOM 0 HA ALA A 32 15.635 10.220 -10.068 1.00 2.57 H new ATOM 0 HB1 ALA A 32 14.654 8.380 -11.409 1.00 2.76 H new ATOM 0 HB2 ALA A 32 16.422 8.214 -11.295 1.00 2.76 H new ATOM 0 HB3 ALA A 32 15.366 7.188 -10.296 1.00 2.76 H new ATOM 540 N VAL A 33 14.083 8.242 -7.935 1.00 1.87 N ATOM 541 CA VAL A 33 12.835 8.124 -7.130 1.00 1.62 C ATOM 542 C VAL A 33 12.767 9.256 -6.101 1.00 1.96 C ATOM 543 O VAL A 33 13.763 9.639 -5.519 1.00 2.52 O ATOM 544 CB VAL A 33 12.833 6.780 -6.404 1.00 1.55 C ATOM 545 CG1 VAL A 33 12.640 5.651 -7.416 1.00 2.27 C ATOM 546 CG2 VAL A 33 14.168 6.590 -5.681 1.00 1.58 C ATOM 0 H VAL A 33 14.801 7.550 -7.720 1.00 1.87 H new ATOM 0 HA VAL A 33 11.971 8.191 -7.792 1.00 1.62 H new ATOM 0 HB VAL A 33 12.019 6.761 -5.680 1.00 1.55 H new ATOM 0 HG11 VAL A 33 12.639 4.693 -6.896 1.00 2.27 H new ATOM 0 HG12 VAL A 33 11.690 5.784 -7.933 1.00 2.27 H new ATOM 0 HG13 VAL A 33 13.454 5.669 -8.141 1.00 2.27 H new ATOM 0 HG21 VAL A 33 14.168 5.631 -5.163 1.00 1.58 H new ATOM 0 HG22 VAL A 33 14.981 6.610 -6.407 1.00 1.58 H new ATOM 0 HG23 VAL A 33 14.308 7.393 -4.958 1.00 1.58 H new ATOM 556 N ALA A 34 11.594 9.789 -5.866 1.00 2.31 N ATOM 557 CA ALA A 34 11.454 10.892 -4.868 1.00 3.06 C ATOM 558 C ALA A 34 10.011 11.414 -4.875 1.00 3.06 C ATOM 559 O ALA A 34 9.194 11.008 -4.072 1.00 3.68 O ATOM 560 CB ALA A 34 12.420 12.030 -5.219 1.00 4.14 C ATOM 0 H ALA A 34 10.727 9.507 -6.323 1.00 2.31 H new ATOM 0 HA ALA A 34 11.693 10.513 -3.874 1.00 3.06 H new ATOM 0 HB1 ALA A 34 12.316 12.833 -4.490 1.00 4.14 H new ATOM 0 HB2 ALA A 34 13.444 11.656 -5.204 1.00 4.14 H new ATOM 0 HB3 ALA A 34 12.188 12.411 -6.214 1.00 4.14 H new ATOM 566 N ALA A 35 9.691 12.311 -5.774 1.00 2.87 N ATOM 567 CA ALA A 35 8.301 12.856 -5.833 1.00 3.25 C ATOM 568 C ALA A 35 8.221 13.923 -6.926 1.00 3.01 C ATOM 569 O ALA A 35 8.743 15.012 -6.782 1.00 3.39 O ATOM 570 CB ALA A 35 7.932 13.485 -4.486 1.00 3.95 C ATOM 0 H ALA A 35 10.333 12.689 -6.470 1.00 2.87 H new ATOM 0 HA ALA A 35 7.607 12.046 -6.056 1.00 3.25 H new ATOM 0 HB1 ALA A 35 6.918 13.881 -4.535 1.00 3.95 H new ATOM 0 HB2 ALA A 35 7.989 12.728 -3.703 1.00 3.95 H new ATOM 0 HB3 ALA A 35 8.626 14.294 -4.260 1.00 3.95 H new ATOM 576 N ALA A 36 7.571 13.620 -8.018 1.00 3.03 N ATOM 577 CA ALA A 36 7.457 14.616 -9.122 1.00 3.35 C ATOM 578 C ALA A 36 6.007 15.090 -9.235 1.00 2.92 C ATOM 579 O ALA A 36 5.742 16.229 -9.568 1.00 3.30 O ATOM 580 CB ALA A 36 7.886 13.966 -10.441 1.00 4.27 C ATOM 0 H ALA A 36 7.114 12.725 -8.193 1.00 3.03 H new ATOM 0 HA ALA A 36 8.102 15.469 -8.910 1.00 3.35 H new ATOM 0 HB1 ALA A 36 7.803 14.693 -11.249 1.00 4.27 H new ATOM 0 HB2 ALA A 36 8.919 13.629 -10.361 1.00 4.27 H new ATOM 0 HB3 ALA A 36 7.241 13.113 -10.653 1.00 4.27 H new ATOM 586 N SER A 37 5.068 14.225 -8.965 1.00 2.73 N ATOM 587 CA SER A 37 3.635 14.623 -9.060 1.00 2.83 C ATOM 588 C SER A 37 2.936 14.345 -7.727 1.00 2.70 C ATOM 589 O SER A 37 3.572 14.193 -6.702 1.00 3.23 O ATOM 590 CB SER A 37 2.960 13.821 -10.173 1.00 3.40 C ATOM 591 OG SER A 37 3.773 13.859 -11.338 1.00 3.92 O ATOM 0 H SER A 37 5.232 13.259 -8.682 1.00 2.73 H new ATOM 0 HA SER A 37 3.566 15.687 -9.286 1.00 2.83 H new ATOM 0 HB2 SER A 37 2.810 12.790 -9.854 1.00 3.40 H new ATOM 0 HB3 SER A 37 1.975 14.235 -10.389 1.00 3.40 H new ATOM 0 HG SER A 37 3.344 13.344 -12.053 1.00 3.92 H new ATOM 597 N LYS A 38 1.632 14.279 -7.732 1.00 2.43 N ATOM 598 CA LYS A 38 0.890 14.014 -6.468 1.00 2.50 C ATOM 599 C LYS A 38 0.229 12.630 -6.542 1.00 2.04 C ATOM 600 O LYS A 38 -0.743 12.456 -7.249 1.00 2.29 O ATOM 601 CB LYS A 38 -0.193 15.081 -6.284 1.00 3.22 C ATOM 602 CG LYS A 38 0.334 16.198 -5.381 1.00 3.89 C ATOM 603 CD LYS A 38 -0.641 17.378 -5.406 1.00 4.62 C ATOM 604 CE LYS A 38 -0.472 18.157 -6.712 1.00 5.30 C ATOM 605 NZ LYS A 38 -1.662 17.931 -7.582 1.00 5.87 N ATOM 0 H LYS A 38 1.048 14.398 -8.560 1.00 2.43 H new ATOM 0 HA LYS A 38 1.583 14.043 -5.627 1.00 2.50 H new ATOM 0 HB2 LYS A 38 -0.484 15.489 -7.252 1.00 3.22 H new ATOM 0 HB3 LYS A 38 -1.086 14.635 -5.845 1.00 3.22 H new ATOM 0 HG2 LYS A 38 0.451 15.831 -4.361 1.00 3.89 H new ATOM 0 HG3 LYS A 38 1.319 16.519 -5.719 1.00 3.89 H new ATOM 0 HD2 LYS A 38 -1.666 17.018 -5.316 1.00 4.62 H new ATOM 0 HD3 LYS A 38 -0.457 18.033 -4.554 1.00 4.62 H new ATOM 0 HE2 LYS A 38 -0.358 19.220 -6.502 1.00 5.30 H new ATOM 0 HE3 LYS A 38 0.434 17.835 -7.226 1.00 5.30 H new ATOM 0 HZ1 LYS A 38 -1.386 18.028 -8.580 1.00 5.87 H new ATOM 0 HZ2 LYS A 38 -2.036 16.974 -7.418 1.00 5.87 H new ATOM 0 HZ3 LYS A 38 -2.396 18.633 -7.356 1.00 5.87 H new ATOM 619 N PRO A 39 0.766 11.683 -5.805 1.00 1.73 N ATOM 620 CA PRO A 39 0.227 10.312 -5.776 1.00 1.58 C ATOM 621 C PRO A 39 -1.040 10.267 -4.918 1.00 1.07 C ATOM 622 O PRO A 39 -0.981 10.135 -3.712 1.00 1.21 O ATOM 623 CB PRO A 39 1.354 9.491 -5.143 1.00 1.97 C ATOM 624 CG PRO A 39 2.224 10.489 -4.344 1.00 2.20 C ATOM 625 CD PRO A 39 1.948 11.884 -4.937 1.00 2.04 C ATOM 0 HA PRO A 39 -0.056 9.936 -6.759 1.00 1.58 H new ATOM 0 HB2 PRO A 39 0.951 8.717 -4.490 1.00 1.97 H new ATOM 0 HB3 PRO A 39 1.944 8.987 -5.908 1.00 1.97 H new ATOM 0 HG2 PRO A 39 1.971 10.461 -3.284 1.00 2.20 H new ATOM 0 HG3 PRO A 39 3.281 10.235 -4.427 1.00 2.20 H new ATOM 0 HD2 PRO A 39 1.748 12.616 -4.155 1.00 2.04 H new ATOM 0 HD3 PRO A 39 2.802 12.251 -5.506 1.00 2.04 H new ATOM 633 N ALA A 40 -2.185 10.391 -5.534 1.00 0.85 N ATOM 634 CA ALA A 40 -3.458 10.372 -4.760 1.00 0.53 C ATOM 635 C ALA A 40 -4.048 8.960 -4.756 1.00 0.55 C ATOM 636 O ALA A 40 -3.449 8.020 -5.241 1.00 0.93 O ATOM 637 CB ALA A 40 -4.457 11.333 -5.407 1.00 0.82 C ATOM 0 H ALA A 40 -2.293 10.505 -6.542 1.00 0.85 H new ATOM 0 HA ALA A 40 -3.257 10.680 -3.734 1.00 0.53 H new ATOM 0 HB1 ALA A 40 -5.390 11.322 -4.843 1.00 0.82 H new ATOM 0 HB2 ALA A 40 -4.044 12.342 -5.406 1.00 0.82 H new ATOM 0 HB3 ALA A 40 -4.650 11.021 -6.433 1.00 0.82 H new ATOM 643 N VAL A 41 -5.225 8.816 -4.210 1.00 0.40 N ATOM 644 CA VAL A 41 -5.882 7.480 -4.163 1.00 0.36 C ATOM 645 C VAL A 41 -7.382 7.678 -3.969 1.00 0.34 C ATOM 646 O VAL A 41 -7.849 8.780 -3.760 1.00 0.35 O ATOM 647 CB VAL A 41 -5.312 6.664 -2.989 1.00 0.32 C ATOM 648 CG1 VAL A 41 -6.067 6.992 -1.700 1.00 0.28 C ATOM 649 CG2 VAL A 41 -5.457 5.168 -3.279 1.00 0.32 C ATOM 0 H VAL A 41 -5.764 9.574 -3.791 1.00 0.40 H new ATOM 0 HA VAL A 41 -5.696 6.942 -5.093 1.00 0.36 H new ATOM 0 HB VAL A 41 -4.259 6.920 -2.869 1.00 0.32 H new ATOM 0 HG11 VAL A 41 -5.654 6.408 -0.878 1.00 0.28 H new ATOM 0 HG12 VAL A 41 -5.964 8.054 -1.478 1.00 0.28 H new ATOM 0 HG13 VAL A 41 -7.122 6.748 -1.824 1.00 0.28 H new ATOM 0 HG21 VAL A 41 -5.052 4.595 -2.445 1.00 0.32 H new ATOM 0 HG22 VAL A 41 -6.511 4.923 -3.410 1.00 0.32 H new ATOM 0 HG23 VAL A 41 -4.911 4.919 -4.189 1.00 0.32 H new ATOM 659 N GLU A 42 -8.135 6.620 -4.011 1.00 0.32 N ATOM 660 CA GLU A 42 -9.598 6.749 -3.800 1.00 0.31 C ATOM 661 C GLU A 42 -10.154 5.412 -3.335 1.00 0.28 C ATOM 662 O GLU A 42 -10.130 4.431 -4.053 1.00 0.31 O ATOM 663 CB GLU A 42 -10.284 7.181 -5.097 1.00 0.35 C ATOM 664 CG GLU A 42 -9.982 6.169 -6.202 1.00 0.44 C ATOM 665 CD GLU A 42 -10.313 6.787 -7.561 1.00 0.78 C ATOM 666 OE1 GLU A 42 -9.495 7.542 -8.062 1.00 1.27 O ATOM 667 OE2 GLU A 42 -11.379 6.497 -8.078 1.00 1.42 O ATOM 0 H GLU A 42 -7.801 5.672 -4.182 1.00 0.32 H new ATOM 0 HA GLU A 42 -9.789 7.507 -3.041 1.00 0.31 H new ATOM 0 HB2 GLU A 42 -11.361 7.255 -4.943 1.00 0.35 H new ATOM 0 HB3 GLU A 42 -9.935 8.171 -5.392 1.00 0.35 H new ATOM 0 HG2 GLU A 42 -8.932 5.879 -6.168 1.00 0.44 H new ATOM 0 HG3 GLU A 42 -10.568 5.262 -6.050 1.00 0.44 H new ATOM 674 N ILE A 43 -10.646 5.364 -2.130 1.00 0.25 N ATOM 675 CA ILE A 43 -11.193 4.092 -1.608 1.00 0.23 C ATOM 676 C ILE A 43 -12.709 4.085 -1.750 1.00 0.24 C ATOM 677 O ILE A 43 -13.370 5.098 -1.632 1.00 0.27 O ATOM 678 CB ILE A 43 -10.797 3.933 -0.145 1.00 0.21 C ATOM 679 CG1 ILE A 43 -9.270 4.013 -0.037 1.00 0.22 C ATOM 680 CG2 ILE A 43 -11.283 2.577 0.378 1.00 0.23 C ATOM 681 CD1 ILE A 43 -8.844 3.922 1.428 1.00 1.06 C ATOM 0 H ILE A 43 -10.691 6.154 -1.486 1.00 0.25 H new ATOM 0 HA ILE A 43 -10.786 3.258 -2.179 1.00 0.23 H new ATOM 0 HB ILE A 43 -11.252 4.724 0.451 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -8.814 3.204 -0.608 1.00 0.22 H new ATOM 0 HG13 ILE A 43 -8.915 4.948 -0.470 1.00 0.22 H new ATOM 0 HG21 ILE A 43 -10.998 2.467 1.424 1.00 0.23 H new ATOM 0 HG22 ILE A 43 -12.368 2.521 0.290 1.00 0.23 H new ATOM 0 HG23 ILE A 43 -10.829 1.777 -0.208 1.00 0.23 H new ATOM 0 HD11 ILE A 43 -7.758 3.980 1.495 1.00 1.06 H new ATOM 0 HD12 ILE A 43 -9.286 4.746 1.987 1.00 1.06 H new ATOM 0 HD13 ILE A 43 -9.184 2.975 1.848 1.00 1.06 H new ATOM 693 N LYS A 44 -13.251 2.939 -2.015 1.00 0.23 N ATOM 694 CA LYS A 44 -14.716 2.804 -2.188 1.00 0.24 C ATOM 695 C LYS A 44 -15.133 1.507 -1.506 1.00 0.23 C ATOM 696 O LYS A 44 -14.785 0.430 -1.944 1.00 0.28 O ATOM 697 CB LYS A 44 -15.014 2.753 -3.687 1.00 0.27 C ATOM 698 CG LYS A 44 -14.366 3.962 -4.363 1.00 0.28 C ATOM 699 CD LYS A 44 -15.003 4.191 -5.731 1.00 0.32 C ATOM 700 CE LYS A 44 -14.712 3.000 -6.647 1.00 0.35 C ATOM 701 NZ LYS A 44 -15.910 2.716 -7.487 1.00 0.71 N ATOM 0 H LYS A 44 -12.729 2.069 -2.122 1.00 0.23 H new ATOM 0 HA LYS A 44 -15.263 3.639 -1.751 1.00 0.24 H new ATOM 0 HB2 LYS A 44 -14.627 1.829 -4.117 1.00 0.27 H new ATOM 0 HB3 LYS A 44 -16.091 2.758 -3.858 1.00 0.27 H new ATOM 0 HG2 LYS A 44 -14.490 4.848 -3.741 1.00 0.28 H new ATOM 0 HG3 LYS A 44 -13.294 3.798 -4.473 1.00 0.28 H new ATOM 0 HD2 LYS A 44 -16.080 4.323 -5.623 1.00 0.32 H new ATOM 0 HD3 LYS A 44 -14.612 5.107 -6.175 1.00 0.32 H new ATOM 0 HE2 LYS A 44 -13.853 3.217 -7.282 1.00 0.35 H new ATOM 0 HE3 LYS A 44 -14.456 2.124 -6.052 1.00 0.35 H new ATOM 0 HZ1 LYS A 44 -15.713 1.907 -8.110 1.00 0.71 H new ATOM 0 HZ2 LYS A 44 -16.719 2.492 -6.873 1.00 0.71 H new ATOM 0 HZ3 LYS A 44 -16.135 3.551 -8.065 1.00 0.71 H new ATOM 715 N GLN A 45 -15.822 1.591 -0.404 1.00 0.23 N ATOM 716 CA GLN A 45 -16.180 0.342 0.320 1.00 0.24 C ATOM 717 C GLN A 45 -17.641 0.327 0.766 1.00 0.24 C ATOM 718 O GLN A 45 -18.260 1.349 0.986 1.00 0.26 O ATOM 719 CB GLN A 45 -15.287 0.239 1.556 1.00 0.24 C ATOM 720 CG GLN A 45 -15.421 1.514 2.394 1.00 0.27 C ATOM 721 CD GLN A 45 -16.031 1.179 3.759 1.00 0.48 C ATOM 722 OE1 GLN A 45 -15.323 1.034 4.733 1.00 1.23 O ATOM 723 NE2 GLN A 45 -17.324 1.053 3.873 1.00 0.95 N ATOM 0 H GLN A 45 -16.149 2.458 0.022 1.00 0.23 H new ATOM 0 HA GLN A 45 -16.035 -0.499 -0.358 1.00 0.24 H new ATOM 0 HB2 GLN A 45 -15.570 -0.630 2.150 1.00 0.24 H new ATOM 0 HB3 GLN A 45 -14.249 0.096 1.256 1.00 0.24 H new ATOM 0 HG2 GLN A 45 -14.443 1.977 2.527 1.00 0.27 H new ATOM 0 HG3 GLN A 45 -16.048 2.238 1.873 1.00 0.27 H new ATOM 0 HE21 GLN A 45 -17.922 1.174 3.056 1.00 0.95 H new ATOM 0 HE22 GLN A 45 -17.737 0.833 4.779 1.00 0.95 H new ATOM 732 N GLU A 46 -18.169 -0.855 0.924 1.00 0.24 N ATOM 733 CA GLU A 46 -19.565 -1.028 1.386 1.00 0.27 C ATOM 734 C GLU A 46 -19.562 -2.127 2.454 1.00 0.27 C ATOM 735 O GLU A 46 -19.808 -3.284 2.170 1.00 0.29 O ATOM 736 CB GLU A 46 -20.438 -1.454 0.209 1.00 0.31 C ATOM 737 CG GLU A 46 -21.892 -1.085 0.498 1.00 0.36 C ATOM 738 CD GLU A 46 -22.696 -1.111 -0.803 1.00 0.76 C ATOM 739 OE1 GLU A 46 -22.572 -0.172 -1.573 1.00 1.29 O ATOM 740 OE2 GLU A 46 -23.424 -2.068 -1.008 1.00 1.50 O ATOM 0 H GLU A 46 -17.673 -1.728 0.746 1.00 0.24 H new ATOM 0 HA GLU A 46 -19.959 -0.098 1.795 1.00 0.27 H new ATOM 0 HB2 GLU A 46 -20.101 -0.964 -0.704 1.00 0.31 H new ATOM 0 HB3 GLU A 46 -20.349 -2.528 0.046 1.00 0.31 H new ATOM 0 HG2 GLU A 46 -22.320 -1.785 1.216 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -21.944 -0.094 0.950 1.00 0.36 H new ATOM 747 N GLY A 47 -19.252 -1.779 3.675 1.00 0.26 N ATOM 748 CA GLY A 47 -19.201 -2.806 4.756 1.00 0.27 C ATOM 749 C GLY A 47 -17.847 -3.520 4.700 1.00 0.25 C ATOM 750 O GLY A 47 -16.807 -2.891 4.712 1.00 0.23 O ATOM 0 H GLY A 47 -19.032 -0.828 3.970 1.00 0.26 H new ATOM 0 HA2 GLY A 47 -19.339 -2.335 5.729 1.00 0.27 H new ATOM 0 HA3 GLY A 47 -20.011 -3.524 4.632 1.00 0.27 H new ATOM 754 N ASP A 48 -17.849 -4.826 4.632 1.00 0.26 N ATOM 755 CA ASP A 48 -16.564 -5.570 4.568 1.00 0.25 C ATOM 756 C ASP A 48 -16.035 -5.575 3.130 1.00 0.25 C ATOM 757 O ASP A 48 -14.953 -6.059 2.862 1.00 0.24 O ATOM 758 CB ASP A 48 -16.789 -7.002 5.036 1.00 0.28 C ATOM 759 CG ASP A 48 -17.873 -7.660 4.180 1.00 0.31 C ATOM 760 OD1 ASP A 48 -17.632 -7.850 2.999 1.00 1.14 O ATOM 761 OD2 ASP A 48 -18.924 -7.962 4.719 1.00 1.06 O ATOM 0 H ASP A 48 -18.688 -5.407 4.618 1.00 0.26 H new ATOM 0 HA ASP A 48 -15.832 -5.084 5.213 1.00 0.25 H new ATOM 0 HB2 ASP A 48 -15.861 -7.569 4.963 1.00 0.28 H new ATOM 0 HB3 ASP A 48 -17.086 -7.010 6.085 1.00 0.28 H new ATOM 766 N THR A 49 -16.778 -5.026 2.205 1.00 0.25 N ATOM 767 CA THR A 49 -16.301 -4.985 0.798 1.00 0.26 C ATOM 768 C THR A 49 -15.485 -3.706 0.609 1.00 0.23 C ATOM 769 O THR A 49 -15.871 -2.650 1.067 1.00 0.22 O ATOM 770 CB THR A 49 -17.506 -4.971 -0.144 1.00 0.29 C ATOM 771 OG1 THR A 49 -18.330 -6.097 0.128 1.00 0.32 O ATOM 772 CG2 THR A 49 -17.025 -5.027 -1.592 1.00 0.30 C ATOM 0 H THR A 49 -17.693 -4.606 2.366 1.00 0.25 H new ATOM 0 HA THR A 49 -15.687 -5.858 0.577 1.00 0.26 H new ATOM 0 HB THR A 49 -18.077 -4.056 0.010 1.00 0.29 H new ATOM 0 HG1 THR A 49 -19.104 -6.089 -0.473 1.00 0.32 H new ATOM 0 HG21 THR A 49 -17.885 -5.017 -2.262 1.00 0.30 H new ATOM 0 HG22 THR A 49 -16.394 -4.163 -1.799 1.00 0.30 H new ATOM 0 HG23 THR A 49 -16.453 -5.941 -1.750 1.00 0.30 H new ATOM 780 N PHE A 50 -14.354 -3.780 -0.038 1.00 0.24 N ATOM 781 CA PHE A 50 -13.540 -2.546 -0.217 1.00 0.21 C ATOM 782 C PHE A 50 -12.958 -2.471 -1.626 1.00 0.23 C ATOM 783 O PHE A 50 -12.726 -3.467 -2.283 1.00 0.28 O ATOM 784 CB PHE A 50 -12.390 -2.532 0.792 1.00 0.19 C ATOM 785 CG PHE A 50 -12.957 -2.578 2.183 1.00 0.18 C ATOM 786 CD1 PHE A 50 -13.279 -3.807 2.752 1.00 0.20 C ATOM 787 CD2 PHE A 50 -13.181 -1.395 2.893 1.00 0.17 C ATOM 788 CE1 PHE A 50 -13.831 -3.862 4.033 1.00 0.20 C ATOM 789 CE2 PHE A 50 -13.728 -1.447 4.181 1.00 0.17 C ATOM 790 CZ PHE A 50 -14.055 -2.684 4.750 1.00 0.19 C ATOM 0 H PHE A 50 -13.963 -4.629 -0.445 1.00 0.24 H new ATOM 0 HA PHE A 50 -14.193 -1.688 -0.057 1.00 0.21 H new ATOM 0 HB2 PHE A 50 -11.733 -3.385 0.625 1.00 0.19 H new ATOM 0 HB3 PHE A 50 -11.786 -1.634 0.661 1.00 0.19 H new ATOM 0 HD1 PHE A 50 -13.102 -4.719 2.202 1.00 0.20 H new ATOM 0 HD2 PHE A 50 -12.933 -0.442 2.449 1.00 0.17 H new ATOM 0 HE1 PHE A 50 -14.085 -4.816 4.470 1.00 0.20 H new ATOM 0 HE2 PHE A 50 -13.897 -0.535 4.734 1.00 0.17 H new ATOM 0 HZ PHE A 50 -14.480 -2.727 5.742 1.00 0.19 H new ATOM 800 N TYR A 51 -12.694 -1.277 -2.063 1.00 0.23 N ATOM 801 CA TYR A 51 -12.091 -1.053 -3.400 1.00 0.25 C ATOM 802 C TYR A 51 -10.959 -0.054 -3.175 1.00 0.24 C ATOM 803 O TYR A 51 -11.049 0.801 -2.317 1.00 0.22 O ATOM 804 CB TYR A 51 -13.172 -0.513 -4.354 1.00 0.27 C ATOM 805 CG TYR A 51 -12.600 0.414 -5.407 1.00 0.29 C ATOM 806 CD1 TYR A 51 -12.246 1.722 -5.067 1.00 0.28 C ATOM 807 CD2 TYR A 51 -12.474 -0.018 -6.732 1.00 0.32 C ATOM 808 CE1 TYR A 51 -11.771 2.597 -6.040 1.00 0.31 C ATOM 809 CE2 TYR A 51 -11.986 0.861 -7.710 1.00 0.34 C ATOM 810 CZ TYR A 51 -11.638 2.169 -7.363 1.00 0.34 C ATOM 811 OH TYR A 51 -11.176 3.040 -8.328 1.00 0.37 O ATOM 0 H TYR A 51 -12.876 -0.424 -1.534 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.700 -1.962 -3.857 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -13.672 -1.349 -4.843 1.00 0.27 H new ATOM 0 HB3 TYR A 51 -13.929 0.019 -3.778 1.00 0.27 H new ATOM 0 HD1 TYR A 51 -12.341 2.056 -4.044 1.00 0.28 H new ATOM 0 HD2 TYR A 51 -12.752 -1.026 -7.001 1.00 0.32 H new ATOM 0 HE1 TYR A 51 -11.505 3.609 -5.771 1.00 0.31 H new ATOM 0 HE2 TYR A 51 -11.879 0.527 -8.731 1.00 0.34 H new ATOM 0 HH TYR A 51 -11.217 3.958 -7.987 1.00 0.37 H new ATOM 821 N ILE A 52 -9.879 -0.170 -3.884 1.00 0.25 N ATOM 822 CA ILE A 52 -8.748 0.765 -3.631 1.00 0.24 C ATOM 823 C ILE A 52 -8.024 1.093 -4.934 1.00 0.28 C ATOM 824 O ILE A 52 -7.354 0.259 -5.507 1.00 0.34 O ATOM 825 CB ILE A 52 -7.770 0.107 -2.649 1.00 0.24 C ATOM 826 CG1 ILE A 52 -8.555 -0.637 -1.559 1.00 0.33 C ATOM 827 CG2 ILE A 52 -6.901 1.181 -1.999 1.00 0.30 C ATOM 828 CD1 ILE A 52 -7.589 -1.292 -0.569 1.00 0.75 C ATOM 0 H ILE A 52 -9.727 -0.860 -4.619 1.00 0.25 H new ATOM 0 HA ILE A 52 -9.136 1.692 -3.209 1.00 0.24 H new ATOM 0 HB ILE A 52 -7.139 -0.599 -3.189 1.00 0.24 H new ATOM 0 HG12 ILE A 52 -9.211 0.058 -1.034 1.00 0.33 H new ATOM 0 HG13 ILE A 52 -9.193 -1.396 -2.013 1.00 0.33 H new ATOM 0 HG21 ILE A 52 -6.206 0.714 -1.301 1.00 0.30 H new ATOM 0 HG22 ILE A 52 -6.341 1.711 -2.769 1.00 0.30 H new ATOM 0 HG23 ILE A 52 -7.535 1.886 -1.462 1.00 0.30 H new ATOM 0 HD11 ILE A 52 -8.156 -1.817 0.200 1.00 0.75 H new ATOM 0 HD12 ILE A 52 -6.952 -2.001 -1.097 1.00 0.75 H new ATOM 0 HD13 ILE A 52 -6.970 -0.525 -0.103 1.00 0.75 H new ATOM 840 N LYS A 53 -8.145 2.307 -5.404 1.00 0.31 N ATOM 841 CA LYS A 53 -7.454 2.682 -6.667 1.00 0.33 C ATOM 842 C LYS A 53 -6.365 3.719 -6.372 1.00 0.35 C ATOM 843 O LYS A 53 -6.633 4.899 -6.262 1.00 0.36 O ATOM 844 CB LYS A 53 -8.464 3.260 -7.657 1.00 0.37 C ATOM 845 CG LYS A 53 -7.765 3.577 -8.984 1.00 0.55 C ATOM 846 CD LYS A 53 -8.226 4.945 -9.494 1.00 0.76 C ATOM 847 CE LYS A 53 -9.468 4.774 -10.370 1.00 1.25 C ATOM 848 NZ LYS A 53 -9.069 4.792 -11.806 1.00 1.54 N ATOM 0 H LYS A 53 -8.691 3.050 -4.968 1.00 0.31 H new ATOM 0 HA LYS A 53 -6.995 1.794 -7.102 1.00 0.33 H new ATOM 0 HB2 LYS A 53 -9.273 2.549 -7.822 1.00 0.37 H new ATOM 0 HB3 LYS A 53 -8.913 4.164 -7.247 1.00 0.37 H new ATOM 0 HG2 LYS A 53 -6.684 3.574 -8.847 1.00 0.55 H new ATOM 0 HG3 LYS A 53 -7.995 2.807 -9.720 1.00 0.55 H new ATOM 0 HD2 LYS A 53 -8.449 5.602 -8.653 1.00 0.76 H new ATOM 0 HD3 LYS A 53 -7.428 5.419 -10.065 1.00 0.76 H new ATOM 0 HE2 LYS A 53 -9.968 3.835 -10.132 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -10.181 5.574 -10.169 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -9.913 4.676 -12.402 1.00 1.54 H new ATOM 0 HZ2 LYS A 53 -8.611 5.699 -12.028 1.00 1.54 H new ATOM 0 HZ3 LYS A 53 -8.404 4.014 -11.991 1.00 1.54 H new ATOM 862 N THR A 54 -5.139 3.282 -6.245 1.00 0.40 N ATOM 863 CA THR A 54 -4.024 4.232 -5.954 1.00 0.45 C ATOM 864 C THR A 54 -3.388 4.707 -7.260 1.00 0.51 C ATOM 865 O THR A 54 -2.515 4.061 -7.804 1.00 0.72 O ATOM 866 CB THR A 54 -2.966 3.524 -5.112 1.00 0.54 C ATOM 867 OG1 THR A 54 -3.588 2.873 -4.012 1.00 0.53 O ATOM 868 CG2 THR A 54 -1.951 4.547 -4.602 1.00 0.66 C ATOM 0 H THR A 54 -4.861 2.304 -6.331 1.00 0.40 H new ATOM 0 HA THR A 54 -4.419 5.091 -5.412 1.00 0.45 H new ATOM 0 HB THR A 54 -2.453 2.782 -5.723 1.00 0.54 H new ATOM 0 HG1 THR A 54 -2.907 2.418 -3.474 1.00 0.53 H new ATOM 0 HG21 THR A 54 -1.195 4.041 -4.001 1.00 0.66 H new ATOM 0 HG22 THR A 54 -1.472 5.038 -5.449 1.00 0.66 H new ATOM 0 HG23 THR A 54 -2.461 5.293 -3.992 1.00 0.66 H new ATOM 876 N SER A 55 -3.812 5.835 -7.766 1.00 0.79 N ATOM 877 CA SER A 55 -3.224 6.351 -9.036 1.00 0.89 C ATOM 878 C SER A 55 -2.562 7.709 -8.785 1.00 0.97 C ATOM 879 O SER A 55 -2.485 8.172 -7.664 1.00 1.03 O ATOM 880 CB SER A 55 -4.328 6.502 -10.084 1.00 1.12 C ATOM 881 OG SER A 55 -5.051 7.702 -9.839 1.00 1.28 O ATOM 0 H SER A 55 -4.539 6.420 -7.355 1.00 0.79 H new ATOM 0 HA SER A 55 -2.473 5.649 -9.399 1.00 0.89 H new ATOM 0 HB2 SER A 55 -3.895 6.523 -11.084 1.00 1.12 H new ATOM 0 HB3 SER A 55 -5.000 5.645 -10.046 1.00 1.12 H new ATOM 0 HG SER A 55 -5.758 7.801 -10.511 1.00 1.28 H new ATOM 887 N THR A 56 -2.080 8.351 -9.820 1.00 1.22 N ATOM 888 CA THR A 56 -1.422 9.677 -9.632 1.00 1.49 C ATOM 889 C THR A 56 -1.659 10.565 -10.861 1.00 1.76 C ATOM 890 O THR A 56 -1.931 11.743 -10.737 1.00 2.02 O ATOM 891 CB THR A 56 0.081 9.481 -9.418 1.00 1.65 C ATOM 892 OG1 THR A 56 0.710 10.749 -9.303 1.00 2.25 O ATOM 893 CG2 THR A 56 0.678 8.722 -10.602 1.00 2.17 C ATOM 0 H THR A 56 -2.114 8.015 -10.782 1.00 1.22 H new ATOM 0 HA THR A 56 -1.852 10.164 -8.757 1.00 1.49 H new ATOM 0 HB THR A 56 0.243 8.907 -8.505 1.00 1.65 H new ATOM 0 HG1 THR A 56 0.156 11.340 -8.752 1.00 2.25 H new ATOM 0 HG21 THR A 56 1.748 8.585 -10.444 1.00 2.17 H new ATOM 0 HG22 THR A 56 0.197 7.748 -10.690 1.00 2.17 H new ATOM 0 HG23 THR A 56 0.516 9.291 -11.518 1.00 2.17 H new ATOM 901 N THR A 57 -1.556 10.016 -12.044 1.00 1.82 N ATOM 902 CA THR A 57 -1.776 10.841 -13.270 1.00 2.19 C ATOM 903 C THR A 57 -2.029 9.932 -14.472 1.00 2.30 C ATOM 904 O THR A 57 -2.890 10.191 -15.289 1.00 2.57 O ATOM 905 CB THR A 57 -0.539 11.697 -13.545 1.00 2.52 C ATOM 906 OG1 THR A 57 0.012 12.148 -12.315 1.00 2.54 O ATOM 907 CG2 THR A 57 -0.926 12.901 -14.407 1.00 2.87 C ATOM 0 H THR A 57 -1.330 9.036 -12.214 1.00 1.82 H new ATOM 0 HA THR A 57 -2.642 11.484 -13.110 1.00 2.19 H new ATOM 0 HB THR A 57 0.202 11.099 -14.075 1.00 2.52 H new ATOM 0 HG1 THR A 57 -0.712 12.410 -11.709 1.00 2.54 H new ATOM 0 HG21 THR A 57 -0.042 13.509 -14.601 1.00 2.87 H new ATOM 0 HG22 THR A 57 -1.342 12.553 -15.353 1.00 2.87 H new ATOM 0 HG23 THR A 57 -1.670 13.500 -13.882 1.00 2.87 H new ATOM 915 N VAL A 58 -1.277 8.874 -14.589 1.00 2.28 N ATOM 916 CA VAL A 58 -1.462 7.948 -15.742 1.00 2.50 C ATOM 917 C VAL A 58 -2.299 6.744 -15.306 1.00 2.30 C ATOM 918 O VAL A 58 -2.837 6.712 -14.216 1.00 2.29 O ATOM 919 CB VAL A 58 -0.093 7.474 -16.232 1.00 2.93 C ATOM 920 CG1 VAL A 58 0.641 8.639 -16.899 1.00 3.46 C ATOM 921 CG2 VAL A 58 0.723 6.974 -15.040 1.00 3.27 C ATOM 0 H VAL A 58 -0.540 8.609 -13.935 1.00 2.28 H new ATOM 0 HA VAL A 58 -1.978 8.468 -16.549 1.00 2.50 H new ATOM 0 HB VAL A 58 -0.221 6.666 -16.953 1.00 2.93 H new ATOM 0 HG11 VAL A 58 1.617 8.302 -17.248 1.00 3.46 H new ATOM 0 HG12 VAL A 58 0.057 9.000 -17.746 1.00 3.46 H new ATOM 0 HG13 VAL A 58 0.773 9.446 -16.179 1.00 3.46 H new ATOM 0 HG21 VAL A 58 1.700 6.635 -15.384 1.00 3.27 H new ATOM 0 HG22 VAL A 58 0.852 7.784 -14.322 1.00 3.27 H new ATOM 0 HG23 VAL A 58 0.199 6.146 -14.562 1.00 3.27 H new ATOM 931 N ARG A 59 -2.415 5.753 -16.150 1.00 2.54 N ATOM 932 CA ARG A 59 -3.218 4.548 -15.792 1.00 2.58 C ATOM 933 C ARG A 59 -2.680 3.934 -14.495 1.00 1.99 C ATOM 934 O ARG A 59 -1.568 4.205 -14.086 1.00 2.38 O ATOM 935 CB ARG A 59 -3.118 3.522 -16.923 1.00 3.33 C ATOM 936 CG ARG A 59 -4.441 2.766 -17.049 1.00 3.92 C ATOM 937 CD ARG A 59 -4.212 1.470 -17.828 1.00 4.30 C ATOM 938 NE ARG A 59 -3.637 1.792 -19.164 1.00 4.98 N ATOM 939 CZ ARG A 59 -3.435 0.842 -20.034 1.00 5.51 C ATOM 940 NH1 ARG A 59 -2.352 0.117 -19.967 1.00 6.00 N ATOM 941 NH2 ARG A 59 -4.317 0.616 -20.969 1.00 5.84 N ATOM 0 H ARG A 59 -1.986 5.727 -17.075 1.00 2.54 H new ATOM 0 HA ARG A 59 -4.259 4.835 -15.647 1.00 2.58 H new ATOM 0 HB2 ARG A 59 -2.883 4.023 -17.862 1.00 3.33 H new ATOM 0 HB3 ARG A 59 -2.306 2.823 -16.723 1.00 3.33 H new ATOM 0 HG2 ARG A 59 -4.841 2.543 -16.060 1.00 3.92 H new ATOM 0 HG3 ARG A 59 -5.179 3.385 -17.559 1.00 3.92 H new ATOM 0 HD2 ARG A 59 -3.536 0.816 -17.277 1.00 4.30 H new ATOM 0 HD3 ARG A 59 -5.153 0.932 -17.945 1.00 4.30 H new ATOM 0 HE ARG A 59 -3.401 2.756 -19.398 1.00 4.98 H new ATOM 0 HH11 ARG A 59 -1.664 0.294 -19.235 1.00 6.00 H new ATOM 0 HH12 ARG A 59 -2.193 -0.626 -20.647 1.00 6.00 H new ATOM 0 HH21 ARG A 59 -5.164 1.182 -21.019 1.00 5.84 H new ATOM 0 HH22 ARG A 59 -4.159 -0.127 -21.650 1.00 5.84 H new ATOM 955 N THR A 60 -3.462 3.111 -13.846 1.00 1.45 N ATOM 956 CA THR A 60 -2.999 2.479 -12.577 1.00 1.08 C ATOM 957 C THR A 60 -3.860 1.247 -12.279 1.00 1.07 C ATOM 958 O THR A 60 -4.764 0.920 -13.022 1.00 1.71 O ATOM 959 CB THR A 60 -3.129 3.483 -11.429 1.00 0.87 C ATOM 960 OG1 THR A 60 -2.859 4.791 -11.913 1.00 0.92 O ATOM 961 CG2 THR A 60 -2.133 3.131 -10.324 1.00 1.52 C ATOM 0 H THR A 60 -4.403 2.850 -14.141 1.00 1.45 H new ATOM 0 HA THR A 60 -1.956 2.179 -12.679 1.00 1.08 H new ATOM 0 HB THR A 60 -4.141 3.445 -11.027 1.00 0.87 H new ATOM 0 HG1 THR A 60 -2.094 4.762 -12.525 1.00 0.92 H new ATOM 0 HG21 THR A 60 -2.227 3.847 -9.508 1.00 1.52 H new ATOM 0 HG22 THR A 60 -2.341 2.128 -9.952 1.00 1.52 H new ATOM 0 HG23 THR A 60 -1.119 3.167 -10.723 1.00 1.52 H new ATOM 969 N THR A 61 -3.588 0.561 -11.198 1.00 0.79 N ATOM 970 CA THR A 61 -4.395 -0.647 -10.859 1.00 0.72 C ATOM 971 C THR A 61 -5.134 -0.418 -9.536 1.00 0.59 C ATOM 972 O THR A 61 -4.795 0.464 -8.770 1.00 0.63 O ATOM 973 CB THR A 61 -3.474 -1.864 -10.734 1.00 0.88 C ATOM 974 OG1 THR A 61 -4.253 -3.016 -10.446 1.00 1.64 O ATOM 975 CG2 THR A 61 -2.464 -1.638 -9.610 1.00 1.27 C ATOM 0 H THR A 61 -2.844 0.785 -10.538 1.00 0.79 H new ATOM 0 HA THR A 61 -5.123 -0.828 -11.650 1.00 0.72 H new ATOM 0 HB THR A 61 -2.938 -2.008 -11.672 1.00 0.88 H new ATOM 0 HG1 THR A 61 -3.666 -3.797 -10.367 1.00 1.64 H new ATOM 0 HG21 THR A 61 -1.812 -2.507 -9.526 1.00 1.27 H new ATOM 0 HG22 THR A 61 -1.865 -0.755 -9.832 1.00 1.27 H new ATOM 0 HG23 THR A 61 -2.994 -1.490 -8.669 1.00 1.27 H new ATOM 983 N GLU A 62 -6.140 -1.206 -9.264 1.00 0.50 N ATOM 984 CA GLU A 62 -6.902 -1.039 -7.992 1.00 0.42 C ATOM 985 C GLU A 62 -7.411 -2.405 -7.523 1.00 0.38 C ATOM 986 O GLU A 62 -7.708 -3.269 -8.325 1.00 0.41 O ATOM 987 CB GLU A 62 -8.089 -0.093 -8.230 1.00 0.46 C ATOM 988 CG GLU A 62 -9.055 -0.697 -9.255 1.00 0.73 C ATOM 989 CD GLU A 62 -8.519 -0.461 -10.668 1.00 1.29 C ATOM 990 OE1 GLU A 62 -7.949 0.593 -10.896 1.00 1.91 O ATOM 991 OE2 GLU A 62 -8.689 -1.338 -11.499 1.00 1.92 O ATOM 0 H GLU A 62 -6.467 -1.959 -9.869 1.00 0.50 H new ATOM 0 HA GLU A 62 -6.253 -0.615 -7.226 1.00 0.42 H new ATOM 0 HB2 GLU A 62 -8.612 0.089 -7.291 1.00 0.46 H new ATOM 0 HB3 GLU A 62 -7.728 0.872 -8.586 1.00 0.46 H new ATOM 0 HG2 GLU A 62 -9.172 -1.765 -9.074 1.00 0.73 H new ATOM 0 HG3 GLU A 62 -10.042 -0.246 -9.150 1.00 0.73 H new ATOM 998 N ILE A 63 -7.520 -2.612 -6.235 1.00 0.32 N ATOM 999 CA ILE A 63 -8.018 -3.930 -5.745 1.00 0.30 C ATOM 1000 C ILE A 63 -9.483 -3.819 -5.349 1.00 0.29 C ATOM 1001 O ILE A 63 -9.817 -3.354 -4.277 1.00 0.26 O ATOM 1002 CB ILE A 63 -7.210 -4.430 -4.540 1.00 0.28 C ATOM 1003 CG1 ILE A 63 -6.845 -3.269 -3.606 1.00 0.32 C ATOM 1004 CG2 ILE A 63 -5.941 -5.109 -5.037 1.00 0.34 C ATOM 1005 CD1 ILE A 63 -6.030 -3.798 -2.422 1.00 0.30 C ATOM 0 H ILE A 63 -7.288 -1.933 -5.510 1.00 0.32 H new ATOM 0 HA ILE A 63 -7.902 -4.646 -6.559 1.00 0.30 H new ATOM 0 HB ILE A 63 -7.818 -5.140 -3.979 1.00 0.28 H new ATOM 0 HG12 ILE A 63 -6.271 -2.519 -4.149 1.00 0.32 H new ATOM 0 HG13 ILE A 63 -7.750 -2.779 -3.247 1.00 0.32 H new ATOM 0 HG21 ILE A 63 -5.362 -5.467 -4.185 1.00 0.34 H new ATOM 0 HG22 ILE A 63 -6.206 -5.952 -5.676 1.00 0.34 H new ATOM 0 HG23 ILE A 63 -5.346 -4.395 -5.606 1.00 0.34 H new ATOM 0 HD11 ILE A 63 -5.772 -2.972 -1.760 1.00 0.30 H new ATOM 0 HD12 ILE A 63 -6.620 -4.532 -1.873 1.00 0.30 H new ATOM 0 HD13 ILE A 63 -5.117 -4.267 -2.789 1.00 0.30 H new ATOM 1017 N ASN A 64 -10.358 -4.278 -6.195 1.00 0.32 N ATOM 1018 CA ASN A 64 -11.806 -4.243 -5.854 1.00 0.32 C ATOM 1019 C ASN A 64 -12.131 -5.568 -5.175 1.00 0.32 C ATOM 1020 O ASN A 64 -12.714 -6.462 -5.756 1.00 0.39 O ATOM 1021 CB ASN A 64 -12.678 -4.060 -7.110 1.00 0.37 C ATOM 1022 CG ASN A 64 -12.021 -4.705 -8.339 1.00 0.87 C ATOM 1023 OD1 ASN A 64 -12.037 -4.138 -9.413 1.00 0.71 O ATOM 1024 ND2 ASN A 64 -11.442 -5.872 -8.233 1.00 1.89 N ATOM 0 H ASN A 64 -10.135 -4.676 -7.107 1.00 0.32 H new ATOM 0 HA ASN A 64 -12.017 -3.397 -5.199 1.00 0.32 H new ATOM 0 HB2 ASN A 64 -13.659 -4.505 -6.943 1.00 0.37 H new ATOM 0 HB3 ASN A 64 -12.837 -2.998 -7.294 1.00 0.37 H new ATOM 0 HD21 ASN A 64 -11.007 -6.301 -9.049 1.00 1.89 H new ATOM 0 HD22 ASN A 64 -11.425 -6.353 -7.334 1.00 1.89 H new ATOM 1031 N PHE A 65 -11.707 -5.704 -3.956 1.00 0.26 N ATOM 1032 CA PHE A 65 -11.915 -6.975 -3.217 1.00 0.27 C ATOM 1033 C PHE A 65 -12.882 -6.766 -2.052 1.00 0.26 C ATOM 1034 O PHE A 65 -13.614 -5.800 -1.993 1.00 0.25 O ATOM 1035 CB PHE A 65 -10.552 -7.413 -2.658 1.00 0.26 C ATOM 1036 CG PHE A 65 -10.136 -6.432 -1.579 1.00 0.24 C ATOM 1037 CD1 PHE A 65 -9.563 -5.203 -1.933 1.00 0.22 C ATOM 1038 CD2 PHE A 65 -10.363 -6.732 -0.229 1.00 0.24 C ATOM 1039 CE1 PHE A 65 -9.215 -4.279 -0.944 1.00 0.20 C ATOM 1040 CE2 PHE A 65 -10.021 -5.805 0.760 1.00 0.22 C ATOM 1041 CZ PHE A 65 -9.448 -4.578 0.403 1.00 0.20 C ATOM 0 H PHE A 65 -11.218 -4.979 -3.432 1.00 0.26 H new ATOM 0 HA PHE A 65 -12.334 -7.727 -3.885 1.00 0.27 H new ATOM 0 HB2 PHE A 65 -10.617 -8.421 -2.249 1.00 0.26 H new ATOM 0 HB3 PHE A 65 -9.807 -7.439 -3.453 1.00 0.26 H new ATOM 0 HD1 PHE A 65 -9.390 -4.969 -2.973 1.00 0.22 H new ATOM 0 HD2 PHE A 65 -10.802 -7.679 0.047 1.00 0.24 H new ATOM 0 HE1 PHE A 65 -8.767 -3.336 -1.219 1.00 0.20 H new ATOM 0 HE2 PHE A 65 -10.199 -6.035 1.800 1.00 0.22 H new ATOM 0 HZ PHE A 65 -9.186 -3.862 1.168 1.00 0.20 H new ATOM 1051 N LYS A 66 -12.851 -7.672 -1.118 1.00 0.28 N ATOM 1052 CA LYS A 66 -13.708 -7.581 0.087 1.00 0.30 C ATOM 1053 C LYS A 66 -12.935 -8.238 1.225 1.00 0.29 C ATOM 1054 O LYS A 66 -12.722 -9.434 1.221 1.00 0.35 O ATOM 1055 CB LYS A 66 -15.028 -8.318 -0.151 1.00 0.38 C ATOM 1056 CG LYS A 66 -14.771 -9.604 -0.943 1.00 1.02 C ATOM 1057 CD LYS A 66 -15.993 -10.524 -0.848 1.00 1.28 C ATOM 1058 CE LYS A 66 -16.513 -10.843 -2.253 1.00 1.81 C ATOM 1059 NZ LYS A 66 -18.000 -10.737 -2.269 1.00 2.23 N ATOM 0 H LYS A 66 -12.248 -8.495 -1.144 1.00 0.28 H new ATOM 0 HA LYS A 66 -13.945 -6.544 0.324 1.00 0.30 H new ATOM 0 HB2 LYS A 66 -15.499 -8.556 0.803 1.00 0.38 H new ATOM 0 HB3 LYS A 66 -15.720 -7.676 -0.697 1.00 0.38 H new ATOM 0 HG2 LYS A 66 -14.565 -9.365 -1.986 1.00 1.02 H new ATOM 0 HG3 LYS A 66 -13.890 -10.113 -0.552 1.00 1.02 H new ATOM 0 HD2 LYS A 66 -15.726 -11.446 -0.331 1.00 1.28 H new ATOM 0 HD3 LYS A 66 -16.776 -10.044 -0.261 1.00 1.28 H new ATOM 0 HE2 LYS A 66 -16.081 -10.153 -2.978 1.00 1.81 H new ATOM 0 HE3 LYS A 66 -16.206 -11.847 -2.547 1.00 1.81 H new ATOM 0 HZ1 LYS A 66 -18.353 -10.954 -3.223 1.00 2.23 H new ATOM 0 HZ2 LYS A 66 -18.404 -11.412 -1.589 1.00 2.23 H new ATOM 0 HZ3 LYS A 66 -18.282 -9.771 -2.006 1.00 2.23 H new ATOM 1073 N VAL A 67 -12.478 -7.458 2.175 1.00 0.26 N ATOM 1074 CA VAL A 67 -11.673 -8.015 3.306 1.00 0.28 C ATOM 1075 C VAL A 67 -12.105 -9.450 3.619 1.00 0.40 C ATOM 1076 O VAL A 67 -13.271 -9.788 3.567 1.00 1.35 O ATOM 1077 CB VAL A 67 -11.844 -7.142 4.546 1.00 0.23 C ATOM 1078 CG1 VAL A 67 -11.033 -7.744 5.691 1.00 0.22 C ATOM 1079 CG2 VAL A 67 -11.323 -5.734 4.254 1.00 0.20 C ATOM 0 H VAL A 67 -12.630 -6.450 2.215 1.00 0.26 H new ATOM 0 HA VAL A 67 -10.623 -8.023 3.012 1.00 0.28 H new ATOM 0 HB VAL A 67 -12.898 -7.093 4.818 1.00 0.23 H new ATOM 0 HG11 VAL A 67 -11.149 -7.127 6.582 1.00 0.22 H new ATOM 0 HG12 VAL A 67 -11.390 -8.753 5.899 1.00 0.22 H new ATOM 0 HG13 VAL A 67 -9.980 -7.783 5.410 1.00 0.22 H new ATOM 0 HG21 VAL A 67 -11.445 -5.110 5.139 1.00 0.20 H new ATOM 0 HG22 VAL A 67 -10.267 -5.785 3.988 1.00 0.20 H new ATOM 0 HG23 VAL A 67 -11.885 -5.302 3.426 1.00 0.20 H new ATOM 1089 N GLY A 68 -11.160 -10.296 3.913 1.00 0.78 N ATOM 1090 CA GLY A 68 -11.488 -11.718 4.193 1.00 0.71 C ATOM 1091 C GLY A 68 -11.184 -12.540 2.938 1.00 0.61 C ATOM 1092 O GLY A 68 -11.495 -13.712 2.859 1.00 0.78 O ATOM 0 H GLY A 68 -10.169 -10.061 3.972 1.00 0.78 H new ATOM 0 HA2 GLY A 68 -10.902 -12.083 5.037 1.00 0.71 H new ATOM 0 HA3 GLY A 68 -12.538 -11.818 4.467 1.00 0.71 H new ATOM 1096 N GLU A 69 -10.575 -11.925 1.952 1.00 0.38 N ATOM 1097 CA GLU A 69 -10.244 -12.653 0.698 1.00 0.34 C ATOM 1098 C GLU A 69 -8.836 -12.266 0.240 1.00 0.29 C ATOM 1099 O GLU A 69 -8.248 -11.320 0.730 1.00 0.31 O ATOM 1100 CB GLU A 69 -11.252 -12.282 -0.392 1.00 0.41 C ATOM 1101 CG GLU A 69 -12.623 -12.872 -0.050 1.00 1.21 C ATOM 1102 CD GLU A 69 -13.278 -13.413 -1.323 1.00 1.99 C ATOM 1103 OE1 GLU A 69 -12.578 -14.026 -2.111 1.00 2.62 O ATOM 1104 OE2 GLU A 69 -14.469 -13.204 -1.487 1.00 2.49 O ATOM 0 H GLU A 69 -10.294 -10.945 1.968 1.00 0.38 H new ATOM 0 HA GLU A 69 -10.286 -13.727 0.882 1.00 0.34 H new ATOM 0 HB2 GLU A 69 -11.324 -11.198 -0.481 1.00 0.41 H new ATOM 0 HB3 GLU A 69 -10.914 -12.659 -1.357 1.00 0.41 H new ATOM 0 HG2 GLU A 69 -12.514 -13.671 0.683 1.00 1.21 H new ATOM 0 HG3 GLU A 69 -13.257 -12.109 0.402 1.00 1.21 H new ATOM 1111 N GLU A 70 -8.289 -12.999 -0.692 1.00 0.26 N ATOM 1112 CA GLU A 70 -6.912 -12.689 -1.183 1.00 0.24 C ATOM 1113 C GLU A 70 -6.934 -12.286 -2.654 1.00 0.25 C ATOM 1114 O GLU A 70 -7.870 -12.565 -3.378 1.00 0.28 O ATOM 1115 CB GLU A 70 -6.019 -13.930 -1.061 1.00 0.25 C ATOM 1116 CG GLU A 70 -6.820 -15.199 -1.374 1.00 0.29 C ATOM 1117 CD GLU A 70 -7.312 -15.832 -0.071 1.00 0.83 C ATOM 1118 OE1 GLU A 70 -8.234 -15.292 0.517 1.00 1.51 O ATOM 1119 OE2 GLU A 70 -6.756 -16.847 0.317 1.00 1.62 O ATOM 0 H GLU A 70 -8.736 -13.801 -1.136 1.00 0.26 H new ATOM 0 HA GLU A 70 -6.527 -11.869 -0.577 1.00 0.24 H new ATOM 0 HB2 GLU A 70 -5.175 -13.847 -1.746 1.00 0.25 H new ATOM 0 HB3 GLU A 70 -5.607 -13.992 -0.054 1.00 0.25 H new ATOM 0 HG2 GLU A 70 -7.668 -14.957 -2.015 1.00 0.29 H new ATOM 0 HG3 GLU A 70 -6.198 -15.907 -1.922 1.00 0.29 H new ATOM 1126 N PHE A 71 -5.868 -11.682 -3.108 1.00 0.25 N ATOM 1127 CA PHE A 71 -5.769 -11.312 -4.543 1.00 0.28 C ATOM 1128 C PHE A 71 -4.588 -12.074 -5.122 1.00 0.27 C ATOM 1129 O PHE A 71 -3.983 -12.891 -4.461 1.00 0.26 O ATOM 1130 CB PHE A 71 -5.504 -9.810 -4.751 1.00 0.32 C ATOM 1131 CG PHE A 71 -6.069 -8.954 -3.639 1.00 0.27 C ATOM 1132 CD1 PHE A 71 -7.309 -9.246 -3.058 1.00 0.27 C ATOM 1133 CD2 PHE A 71 -5.343 -7.835 -3.212 1.00 0.25 C ATOM 1134 CE1 PHE A 71 -7.816 -8.415 -2.047 1.00 0.25 C ATOM 1135 CE2 PHE A 71 -5.852 -7.007 -2.211 1.00 0.22 C ATOM 1136 CZ PHE A 71 -7.085 -7.295 -1.628 1.00 0.22 C ATOM 0 H PHE A 71 -5.059 -11.429 -2.540 1.00 0.25 H new ATOM 0 HA PHE A 71 -6.716 -11.554 -5.026 1.00 0.28 H new ATOM 0 HB2 PHE A 71 -4.429 -9.642 -4.822 1.00 0.32 H new ATOM 0 HB3 PHE A 71 -5.939 -9.497 -5.700 1.00 0.32 H new ATOM 0 HD1 PHE A 71 -7.873 -10.107 -3.386 1.00 0.27 H new ATOM 0 HD2 PHE A 71 -4.386 -7.612 -3.659 1.00 0.25 H new ATOM 0 HE1 PHE A 71 -8.770 -8.639 -1.592 1.00 0.25 H new ATOM 0 HE2 PHE A 71 -5.291 -6.143 -1.888 1.00 0.22 H new ATOM 0 HZ PHE A 71 -7.478 -6.654 -0.852 1.00 0.22 H new ATOM 1146 N GLU A 72 -4.243 -11.797 -6.337 1.00 0.30 N ATOM 1147 CA GLU A 72 -3.078 -12.486 -6.948 1.00 0.31 C ATOM 1148 C GLU A 72 -2.140 -11.446 -7.539 1.00 0.36 C ATOM 1149 O GLU A 72 -2.535 -10.338 -7.844 1.00 0.43 O ATOM 1150 CB GLU A 72 -3.534 -13.429 -8.053 1.00 0.39 C ATOM 1151 CG GLU A 72 -4.645 -14.327 -7.522 1.00 0.41 C ATOM 1152 CD GLU A 72 -5.391 -14.971 -8.692 1.00 0.53 C ATOM 1153 OE1 GLU A 72 -6.021 -14.242 -9.441 1.00 1.22 O ATOM 1154 OE2 GLU A 72 -5.319 -16.182 -8.820 1.00 1.22 O ATOM 0 H GLU A 72 -4.715 -11.122 -6.939 1.00 0.30 H new ATOM 0 HA GLU A 72 -2.567 -13.065 -6.179 1.00 0.31 H new ATOM 0 HB2 GLU A 72 -3.891 -12.858 -8.910 1.00 0.39 H new ATOM 0 HB3 GLU A 72 -2.696 -14.034 -8.399 1.00 0.39 H new ATOM 0 HG2 GLU A 72 -4.225 -15.099 -6.877 1.00 0.41 H new ATOM 0 HG3 GLU A 72 -5.337 -13.745 -6.913 1.00 0.41 H new ATOM 1161 N GLU A 73 -0.903 -11.796 -7.703 1.00 0.38 N ATOM 1162 CA GLU A 73 0.069 -10.825 -8.279 1.00 0.48 C ATOM 1163 C GLU A 73 1.409 -11.511 -8.534 1.00 0.49 C ATOM 1164 O GLU A 73 1.567 -12.695 -8.323 1.00 0.48 O ATOM 1165 CB GLU A 73 0.263 -9.660 -7.302 1.00 0.54 C ATOM 1166 CG GLU A 73 0.025 -8.334 -8.030 1.00 0.77 C ATOM 1167 CD GLU A 73 0.243 -7.171 -7.059 1.00 1.13 C ATOM 1168 OE1 GLU A 73 -0.072 -7.332 -5.892 1.00 1.88 O ATOM 1169 OE2 GLU A 73 0.722 -6.139 -7.500 1.00 1.66 O ATOM 0 H GLU A 73 -0.518 -12.710 -7.465 1.00 0.38 H new ATOM 0 HA GLU A 73 -0.319 -10.448 -9.225 1.00 0.48 H new ATOM 0 HB2 GLU A 73 -0.428 -9.756 -6.464 1.00 0.54 H new ATOM 0 HB3 GLU A 73 1.271 -9.683 -6.888 1.00 0.54 H new ATOM 0 HG2 GLU A 73 0.704 -8.246 -8.878 1.00 0.77 H new ATOM 0 HG3 GLU A 73 -0.989 -8.303 -8.429 1.00 0.77 H new ATOM 1176 N GLN A 74 2.373 -10.763 -8.993 1.00 0.57 N ATOM 1177 CA GLN A 74 3.717 -11.348 -9.270 1.00 0.61 C ATOM 1178 C GLN A 74 4.799 -10.375 -8.797 1.00 0.64 C ATOM 1179 O GLN A 74 4.719 -9.185 -9.030 1.00 0.69 O ATOM 1180 CB GLN A 74 3.874 -11.583 -10.773 1.00 0.69 C ATOM 1181 CG GLN A 74 2.927 -12.699 -11.219 1.00 0.76 C ATOM 1182 CD GLN A 74 2.924 -12.791 -12.747 1.00 1.00 C ATOM 1183 OE1 GLN A 74 3.821 -12.294 -13.400 1.00 1.53 O ATOM 1184 NE2 GLN A 74 1.945 -13.410 -13.349 1.00 1.48 N ATOM 0 H GLN A 74 2.288 -9.766 -9.190 1.00 0.57 H new ATOM 0 HA GLN A 74 3.816 -12.296 -8.741 1.00 0.61 H new ATOM 0 HB2 GLN A 74 3.655 -10.666 -11.320 1.00 0.69 H new ATOM 0 HB3 GLN A 74 4.905 -11.853 -11.004 1.00 0.69 H new ATOM 0 HG2 GLN A 74 3.241 -13.650 -10.788 1.00 0.76 H new ATOM 0 HG3 GLN A 74 1.919 -12.501 -10.855 1.00 0.76 H new ATOM 0 HE21 GLN A 74 1.192 -13.827 -12.802 1.00 1.48 H new ATOM 0 HE22 GLN A 74 1.933 -13.477 -14.367 1.00 1.48 H new ATOM 1193 N THR A 75 5.811 -10.870 -8.133 1.00 0.65 N ATOM 1194 CA THR A 75 6.893 -9.968 -7.646 1.00 0.71 C ATOM 1195 C THR A 75 7.736 -9.495 -8.831 1.00 0.87 C ATOM 1196 O THR A 75 7.402 -9.731 -9.975 1.00 1.13 O ATOM 1197 CB THR A 75 7.786 -10.717 -6.654 1.00 0.83 C ATOM 1198 OG1 THR A 75 7.985 -12.046 -7.110 1.00 1.59 O ATOM 1199 CG2 THR A 75 7.119 -10.741 -5.278 1.00 1.20 C ATOM 0 H THR A 75 5.934 -11.857 -7.908 1.00 0.65 H new ATOM 0 HA THR A 75 6.445 -9.107 -7.149 1.00 0.71 H new ATOM 0 HB THR A 75 8.748 -10.211 -6.578 1.00 0.83 H new ATOM 0 HG1 THR A 75 7.267 -12.620 -6.770 1.00 1.59 H new ATOM 0 HG21 THR A 75 7.757 -11.275 -4.574 1.00 1.20 H new ATOM 0 HG22 THR A 75 6.968 -9.719 -4.929 1.00 1.20 H new ATOM 0 HG23 THR A 75 6.156 -11.246 -5.349 1.00 1.20 H new ATOM 1207 N VAL A 76 8.826 -8.826 -8.565 1.00 0.98 N ATOM 1208 CA VAL A 76 9.690 -8.334 -9.673 1.00 1.18 C ATOM 1209 C VAL A 76 10.412 -9.513 -10.329 1.00 1.50 C ATOM 1210 O VAL A 76 10.380 -9.679 -11.533 1.00 2.00 O ATOM 1211 CB VAL A 76 10.717 -7.350 -9.119 1.00 1.21 C ATOM 1212 CG1 VAL A 76 11.514 -6.736 -10.272 1.00 1.63 C ATOM 1213 CG2 VAL A 76 9.997 -6.240 -8.349 1.00 1.23 C ATOM 0 H VAL A 76 9.154 -8.600 -7.626 1.00 0.98 H new ATOM 0 HA VAL A 76 9.071 -7.833 -10.417 1.00 1.18 H new ATOM 0 HB VAL A 76 11.397 -7.876 -8.449 1.00 1.21 H new ATOM 0 HG11 VAL A 76 12.247 -6.034 -9.874 1.00 1.63 H new ATOM 0 HG12 VAL A 76 12.028 -7.526 -10.820 1.00 1.63 H new ATOM 0 HG13 VAL A 76 10.836 -6.211 -10.944 1.00 1.63 H new ATOM 0 HG21 VAL A 76 10.730 -5.537 -7.953 1.00 1.23 H new ATOM 0 HG22 VAL A 76 9.316 -5.715 -9.019 1.00 1.23 H new ATOM 0 HG23 VAL A 76 9.431 -6.676 -7.526 1.00 1.23 H new ATOM 1223 N ASP A 77 11.067 -10.333 -9.549 1.00 1.65 N ATOM 1224 CA ASP A 77 11.793 -11.497 -10.134 1.00 2.07 C ATOM 1225 C ASP A 77 12.004 -12.568 -9.061 1.00 1.56 C ATOM 1226 O ASP A 77 12.355 -12.273 -7.935 1.00 1.65 O ATOM 1227 CB ASP A 77 13.151 -11.032 -10.668 1.00 2.80 C ATOM 1228 CG ASP A 77 13.191 -11.199 -12.189 1.00 3.60 C ATOM 1229 OD1 ASP A 77 12.178 -10.944 -12.820 1.00 4.03 O ATOM 1230 OD2 ASP A 77 14.233 -11.579 -12.697 1.00 4.22 O ATOM 0 H ASP A 77 11.130 -10.247 -8.535 1.00 1.65 H new ATOM 0 HA ASP A 77 11.204 -11.918 -10.949 1.00 2.07 H new ATOM 0 HB2 ASP A 77 13.319 -9.988 -10.402 1.00 2.80 H new ATOM 0 HB3 ASP A 77 13.951 -11.611 -10.208 1.00 2.80 H new ATOM 1235 N GLY A 78 11.794 -13.810 -9.405 1.00 1.47 N ATOM 1236 CA GLY A 78 11.983 -14.907 -8.415 1.00 1.35 C ATOM 1237 C GLY A 78 10.780 -15.850 -8.465 1.00 1.21 C ATOM 1238 O GLY A 78 10.833 -16.907 -9.062 1.00 1.43 O ATOM 0 H GLY A 78 11.498 -14.112 -10.333 1.00 1.47 H new ATOM 0 HA2 GLY A 78 12.899 -15.456 -8.635 1.00 1.35 H new ATOM 0 HA3 GLY A 78 12.093 -14.492 -7.413 1.00 1.35 H new ATOM 1242 N ARG A 79 9.698 -15.474 -7.842 1.00 0.97 N ATOM 1243 CA ARG A 79 8.487 -16.344 -7.847 1.00 0.99 C ATOM 1244 C ARG A 79 7.237 -15.454 -7.878 1.00 0.83 C ATOM 1245 O ARG A 79 7.348 -14.250 -7.790 1.00 0.86 O ATOM 1246 CB ARG A 79 8.491 -17.201 -6.577 1.00 1.22 C ATOM 1247 CG ARG A 79 8.703 -18.671 -6.951 1.00 1.34 C ATOM 1248 CD ARG A 79 8.835 -19.510 -5.678 1.00 1.98 C ATOM 1249 NE ARG A 79 10.277 -19.777 -5.407 1.00 2.57 N ATOM 1250 CZ ARG A 79 10.832 -20.869 -5.855 1.00 3.11 C ATOM 1251 NH1 ARG A 79 10.362 -22.033 -5.500 1.00 3.60 N ATOM 1252 NH2 ARG A 79 11.860 -20.797 -6.657 1.00 3.68 N ATOM 0 H ARG A 79 9.599 -14.599 -7.328 1.00 0.97 H new ATOM 0 HA ARG A 79 8.487 -16.994 -8.722 1.00 0.99 H new ATOM 0 HB2 ARG A 79 9.282 -16.869 -5.904 1.00 1.22 H new ATOM 0 HB3 ARG A 79 7.548 -17.083 -6.043 1.00 1.22 H new ATOM 0 HG2 ARG A 79 7.865 -19.029 -7.549 1.00 1.34 H new ATOM 0 HG3 ARG A 79 9.599 -18.776 -7.562 1.00 1.34 H new ATOM 0 HD2 ARG A 79 8.387 -18.984 -4.835 1.00 1.98 H new ATOM 0 HD3 ARG A 79 8.295 -20.450 -5.791 1.00 1.98 H new ATOM 0 HE ARG A 79 10.829 -19.106 -4.872 1.00 2.57 H new ATOM 0 HH11 ARG A 79 9.560 -22.089 -4.872 1.00 3.60 H new ATOM 0 HH12 ARG A 79 10.796 -22.887 -5.851 1.00 3.60 H new ATOM 0 HH21 ARG A 79 12.229 -19.887 -6.933 1.00 3.68 H new ATOM 0 HH22 ARG A 79 12.294 -21.651 -7.007 1.00 3.68 H new ATOM 1266 N PRO A 80 6.079 -16.062 -7.999 1.00 0.72 N ATOM 1267 CA PRO A 80 4.810 -15.315 -8.036 1.00 0.60 C ATOM 1268 C PRO A 80 4.452 -14.831 -6.629 1.00 0.51 C ATOM 1269 O PRO A 80 5.226 -14.983 -5.704 1.00 0.57 O ATOM 1270 CB PRO A 80 3.800 -16.337 -8.559 1.00 0.60 C ATOM 1271 CG PRO A 80 4.400 -17.732 -8.270 1.00 0.70 C ATOM 1272 CD PRO A 80 5.918 -17.531 -8.102 1.00 0.77 C ATOM 0 HA PRO A 80 4.844 -14.423 -8.661 1.00 0.60 H new ATOM 0 HB2 PRO A 80 2.836 -16.219 -8.064 1.00 0.60 H new ATOM 0 HB3 PRO A 80 3.628 -16.202 -9.627 1.00 0.60 H new ATOM 0 HG2 PRO A 80 3.964 -18.162 -7.368 1.00 0.70 H new ATOM 0 HG3 PRO A 80 4.188 -18.422 -9.087 1.00 0.70 H new ATOM 0 HD2 PRO A 80 6.291 -18.036 -7.211 1.00 0.77 H new ATOM 0 HD3 PRO A 80 6.470 -17.934 -8.951 1.00 0.77 H new ATOM 1280 N CYS A 81 3.301 -14.238 -6.455 1.00 0.41 N ATOM 1281 CA CYS A 81 2.935 -13.741 -5.098 1.00 0.34 C ATOM 1282 C CYS A 81 1.486 -13.261 -5.064 1.00 0.31 C ATOM 1283 O CYS A 81 1.020 -12.574 -5.951 1.00 0.34 O ATOM 1284 CB CYS A 81 3.858 -12.575 -4.728 1.00 0.34 C ATOM 1285 SG CYS A 81 3.703 -11.259 -5.962 1.00 0.40 S ATOM 0 H CYS A 81 2.606 -14.078 -7.184 1.00 0.41 H new ATOM 0 HA CYS A 81 3.047 -14.558 -4.386 1.00 0.34 H new ATOM 0 HB2 CYS A 81 3.599 -12.193 -3.740 1.00 0.34 H new ATOM 0 HB3 CYS A 81 4.891 -12.919 -4.676 1.00 0.34 H new ATOM 0 HG CYS A 81 4.352 -10.207 -5.559 1.00 0.40 H new ATOM 1291 N LYS A 82 0.785 -13.601 -4.022 1.00 0.28 N ATOM 1292 CA LYS A 82 -0.627 -13.159 -3.878 1.00 0.26 C ATOM 1293 C LYS A 82 -0.725 -12.244 -2.664 1.00 0.24 C ATOM 1294 O LYS A 82 0.264 -11.925 -2.032 1.00 0.24 O ATOM 1295 CB LYS A 82 -1.528 -14.372 -3.664 1.00 0.26 C ATOM 1296 CG LYS A 82 -1.026 -15.183 -2.463 1.00 0.26 C ATOM 1297 CD LYS A 82 -1.871 -16.456 -2.296 1.00 0.28 C ATOM 1298 CE LYS A 82 -3.325 -16.184 -2.698 1.00 0.28 C ATOM 1299 NZ LYS A 82 -4.206 -17.251 -2.142 1.00 0.32 N ATOM 0 H LYS A 82 1.135 -14.174 -3.254 1.00 0.28 H new ATOM 0 HA LYS A 82 -0.943 -12.632 -4.778 1.00 0.26 H new ATOM 0 HB2 LYS A 82 -2.555 -14.049 -3.493 1.00 0.26 H new ATOM 0 HB3 LYS A 82 -1.534 -14.995 -4.559 1.00 0.26 H new ATOM 0 HG2 LYS A 82 0.022 -15.448 -2.606 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -1.081 -14.579 -1.557 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -1.460 -17.257 -2.911 1.00 0.28 H new ATOM 0 HD3 LYS A 82 -1.830 -16.795 -1.261 1.00 0.28 H new ATOM 0 HE2 LYS A 82 -3.639 -15.209 -2.326 1.00 0.28 H new ATOM 0 HE3 LYS A 82 -3.413 -16.155 -3.784 1.00 0.28 H new ATOM 0 HZ1 LYS A 82 -5.041 -17.364 -2.751 1.00 0.32 H new ATOM 0 HZ2 LYS A 82 -3.682 -18.148 -2.103 1.00 0.32 H new ATOM 0 HZ3 LYS A 82 -4.510 -16.986 -1.184 1.00 0.32 H new ATOM 1313 N SER A 83 -1.905 -11.824 -2.334 1.00 0.23 N ATOM 1314 CA SER A 83 -2.074 -10.929 -1.156 1.00 0.22 C ATOM 1315 C SER A 83 -3.327 -11.319 -0.381 1.00 0.21 C ATOM 1316 O SER A 83 -4.056 -12.207 -0.767 1.00 0.23 O ATOM 1317 CB SER A 83 -2.210 -9.486 -1.633 1.00 0.22 C ATOM 1318 OG SER A 83 -3.331 -9.390 -2.501 1.00 0.25 O ATOM 0 H SER A 83 -2.766 -12.060 -2.827 1.00 0.23 H new ATOM 0 HA SER A 83 -1.204 -11.026 -0.507 1.00 0.22 H new ATOM 0 HB2 SER A 83 -2.335 -8.818 -0.781 1.00 0.22 H new ATOM 0 HB3 SER A 83 -1.304 -9.174 -2.152 1.00 0.22 H new ATOM 0 HG SER A 83 -3.875 -8.616 -2.248 1.00 0.25 H new ATOM 1324 N LEU A 84 -3.584 -10.649 0.706 1.00 0.19 N ATOM 1325 CA LEU A 84 -4.802 -10.968 1.505 1.00 0.19 C ATOM 1326 C LEU A 84 -5.062 -9.851 2.511 1.00 0.18 C ATOM 1327 O LEU A 84 -4.238 -9.558 3.353 1.00 0.18 O ATOM 1328 CB LEU A 84 -4.612 -12.291 2.238 1.00 0.21 C ATOM 1329 CG LEU A 84 -5.912 -13.089 2.164 1.00 0.23 C ATOM 1330 CD1 LEU A 84 -5.604 -14.578 2.297 1.00 0.25 C ATOM 1331 CD2 LEU A 84 -6.849 -12.656 3.290 1.00 0.24 C ATOM 0 H LEU A 84 -3.005 -9.895 1.077 1.00 0.19 H new ATOM 0 HA LEU A 84 -5.657 -11.055 0.835 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -3.796 -12.857 1.789 1.00 0.21 H new ATOM 0 HB3 LEU A 84 -4.339 -12.110 3.278 1.00 0.21 H new ATOM 0 HG LEU A 84 -6.395 -12.903 1.205 1.00 0.23 H new ATOM 0 HD11 LEU A 84 -6.532 -15.148 2.244 1.00 0.25 H new ATOM 0 HD12 LEU A 84 -4.942 -14.886 1.488 1.00 0.25 H new ATOM 0 HD13 LEU A 84 -5.118 -14.765 3.254 1.00 0.25 H new ATOM 0 HD21 LEU A 84 -7.775 -13.228 3.233 1.00 0.24 H new ATOM 0 HD22 LEU A 84 -6.370 -12.837 4.252 1.00 0.24 H new ATOM 0 HD23 LEU A 84 -7.072 -11.594 3.190 1.00 0.24 H new ATOM 1343 N VAL A 85 -6.201 -9.220 2.417 1.00 0.18 N ATOM 1344 CA VAL A 85 -6.518 -8.103 3.349 1.00 0.17 C ATOM 1345 C VAL A 85 -7.285 -8.615 4.575 1.00 0.17 C ATOM 1346 O VAL A 85 -8.107 -9.506 4.488 1.00 0.20 O ATOM 1347 CB VAL A 85 -7.364 -7.065 2.605 1.00 0.17 C ATOM 1348 CG1 VAL A 85 -8.015 -6.102 3.603 1.00 0.16 C ATOM 1349 CG2 VAL A 85 -6.469 -6.276 1.649 1.00 0.17 C ATOM 0 H VAL A 85 -6.927 -9.431 1.732 1.00 0.18 H new ATOM 0 HA VAL A 85 -5.588 -7.653 3.695 1.00 0.17 H new ATOM 0 HB VAL A 85 -8.146 -7.577 2.044 1.00 0.17 H new ATOM 0 HG11 VAL A 85 -8.614 -5.369 3.063 1.00 0.16 H new ATOM 0 HG12 VAL A 85 -8.655 -6.662 4.285 1.00 0.16 H new ATOM 0 HG13 VAL A 85 -7.240 -5.589 4.172 1.00 0.16 H new ATOM 0 HG21 VAL A 85 -7.067 -5.536 1.117 1.00 0.17 H new ATOM 0 HG22 VAL A 85 -5.687 -5.771 2.216 1.00 0.17 H new ATOM 0 HG23 VAL A 85 -6.013 -6.958 0.931 1.00 0.17 H new ATOM 1359 N LYS A 86 -7.021 -8.031 5.715 1.00 0.17 N ATOM 1360 CA LYS A 86 -7.718 -8.432 6.965 1.00 0.18 C ATOM 1361 C LYS A 86 -7.859 -7.203 7.863 1.00 0.17 C ATOM 1362 O LYS A 86 -7.747 -6.080 7.414 1.00 0.16 O ATOM 1363 CB LYS A 86 -6.897 -9.502 7.684 1.00 0.20 C ATOM 1364 CG LYS A 86 -7.823 -10.580 8.251 1.00 0.31 C ATOM 1365 CD LYS A 86 -8.604 -11.252 7.116 1.00 0.59 C ATOM 1366 CE LYS A 86 -10.067 -10.798 7.157 1.00 0.49 C ATOM 1367 NZ LYS A 86 -10.917 -11.901 7.687 1.00 0.79 N ATOM 0 H LYS A 86 -6.340 -7.281 5.830 1.00 0.17 H new ATOM 0 HA LYS A 86 -8.703 -8.835 6.731 1.00 0.18 H new ATOM 0 HB2 LYS A 86 -6.184 -9.951 6.992 1.00 0.20 H new ATOM 0 HB3 LYS A 86 -6.318 -9.048 8.489 1.00 0.20 H new ATOM 0 HG2 LYS A 86 -7.239 -11.325 8.792 1.00 0.31 H new ATOM 0 HG3 LYS A 86 -8.515 -10.136 8.967 1.00 0.31 H new ATOM 0 HD2 LYS A 86 -8.160 -10.995 6.154 1.00 0.59 H new ATOM 0 HD3 LYS A 86 -8.547 -12.336 7.214 1.00 0.59 H new ATOM 0 HE2 LYS A 86 -10.167 -9.914 7.787 1.00 0.49 H new ATOM 0 HE3 LYS A 86 -10.399 -10.517 6.158 1.00 0.49 H new ATOM 0 HZ1 LYS A 86 -11.915 -11.610 7.667 1.00 0.79 H new ATOM 0 HZ2 LYS A 86 -10.791 -12.749 7.099 1.00 0.79 H new ATOM 0 HZ3 LYS A 86 -10.638 -12.114 8.666 1.00 0.79 H new ATOM 1381 N TRP A 87 -8.115 -7.408 9.121 1.00 0.19 N ATOM 1382 CA TRP A 87 -8.274 -6.252 10.052 1.00 0.19 C ATOM 1383 C TRP A 87 -7.301 -6.347 11.220 1.00 0.21 C ATOM 1384 O TRP A 87 -6.517 -7.269 11.337 1.00 0.25 O ATOM 1385 CB TRP A 87 -9.685 -6.242 10.613 1.00 0.21 C ATOM 1386 CG TRP A 87 -10.638 -6.082 9.501 1.00 0.20 C ATOM 1387 CD1 TRP A 87 -11.302 -7.090 8.918 1.00 0.21 C ATOM 1388 CD2 TRP A 87 -11.035 -4.864 8.818 1.00 0.19 C ATOM 1389 NE1 TRP A 87 -12.112 -6.571 7.935 1.00 0.21 N ATOM 1390 CE2 TRP A 87 -11.976 -5.201 7.827 1.00 0.20 C ATOM 1391 CE3 TRP A 87 -10.676 -3.513 8.965 1.00 0.18 C ATOM 1392 CZ2 TRP A 87 -12.548 -4.232 7.007 1.00 0.19 C ATOM 1393 CZ3 TRP A 87 -11.246 -2.534 8.139 1.00 0.17 C ATOM 1394 CH2 TRP A 87 -12.181 -2.894 7.161 1.00 0.18 C ATOM 0 H TRP A 87 -8.222 -8.327 9.550 1.00 0.19 H new ATOM 0 HA TRP A 87 -8.072 -5.341 9.489 1.00 0.19 H new ATOM 0 HB2 TRP A 87 -9.884 -7.170 11.150 1.00 0.21 H new ATOM 0 HB3 TRP A 87 -9.801 -5.428 11.329 1.00 0.21 H new ATOM 0 HD1 TRP A 87 -11.215 -8.135 9.177 1.00 0.21 H new ATOM 0 HE1 TRP A 87 -12.738 -7.131 7.356 1.00 0.21 H new ATOM 0 HE3 TRP A 87 -9.957 -3.227 9.719 1.00 0.18 H new ATOM 0 HZ2 TRP A 87 -13.271 -4.514 6.256 1.00 0.19 H new ATOM 0 HZ3 TRP A 87 -10.963 -1.499 8.258 1.00 0.17 H new ATOM 0 HH2 TRP A 87 -12.618 -2.137 6.526 1.00 0.18 H new ATOM 1405 N GLU A 88 -7.374 -5.383 12.090 1.00 0.22 N ATOM 1406 CA GLU A 88 -6.495 -5.355 13.286 1.00 0.26 C ATOM 1407 C GLU A 88 -7.354 -4.956 14.484 1.00 0.28 C ATOM 1408 O GLU A 88 -7.424 -5.644 15.484 1.00 0.33 O ATOM 1409 CB GLU A 88 -5.383 -4.318 13.053 1.00 0.29 C ATOM 1410 CG GLU A 88 -5.004 -3.604 14.358 1.00 0.90 C ATOM 1411 CD GLU A 88 -4.524 -4.629 15.388 1.00 1.25 C ATOM 1412 OE1 GLU A 88 -3.738 -5.487 15.019 1.00 1.75 O ATOM 1413 OE2 GLU A 88 -4.951 -4.540 16.527 1.00 1.83 O ATOM 0 H GLU A 88 -8.020 -4.597 12.020 1.00 0.22 H new ATOM 0 HA GLU A 88 -6.037 -6.327 13.469 1.00 0.26 H new ATOM 0 HB2 GLU A 88 -4.504 -4.811 12.637 1.00 0.29 H new ATOM 0 HB3 GLU A 88 -5.715 -3.585 12.318 1.00 0.29 H new ATOM 0 HG2 GLU A 88 -4.220 -2.871 14.168 1.00 0.90 H new ATOM 0 HG3 GLU A 88 -5.863 -3.058 14.748 1.00 0.90 H new ATOM 1420 N SER A 89 -8.007 -3.840 14.367 1.00 0.27 N ATOM 1421 CA SER A 89 -8.878 -3.344 15.464 1.00 0.29 C ATOM 1422 C SER A 89 -10.306 -3.189 14.941 1.00 0.29 C ATOM 1423 O SER A 89 -11.253 -3.699 15.504 1.00 0.31 O ATOM 1424 CB SER A 89 -8.366 -1.979 15.919 1.00 0.30 C ATOM 1425 OG SER A 89 -8.207 -1.140 14.776 1.00 0.30 O ATOM 0 H SER A 89 -7.974 -3.239 13.544 1.00 0.27 H new ATOM 0 HA SER A 89 -8.864 -4.048 16.296 1.00 0.29 H new ATOM 0 HB2 SER A 89 -9.067 -1.529 16.622 1.00 0.30 H new ATOM 0 HB3 SER A 89 -7.416 -2.088 16.442 1.00 0.30 H new ATOM 0 HG SER A 89 -7.880 -0.260 15.059 1.00 0.30 H new ATOM 1431 N GLU A 90 -10.445 -2.474 13.862 1.00 0.27 N ATOM 1432 CA GLU A 90 -11.783 -2.233 13.246 1.00 0.28 C ATOM 1433 C GLU A 90 -11.609 -1.148 12.187 1.00 0.25 C ATOM 1434 O GLU A 90 -12.239 -1.159 11.148 1.00 0.25 O ATOM 1435 CB GLU A 90 -12.784 -1.755 14.304 1.00 0.31 C ATOM 1436 CG GLU A 90 -12.198 -0.562 15.064 1.00 0.32 C ATOM 1437 CD GLU A 90 -12.631 -0.627 16.530 1.00 0.37 C ATOM 1438 OE1 GLU A 90 -13.791 -0.919 16.772 1.00 1.17 O ATOM 1439 OE2 GLU A 90 -11.797 -0.382 17.385 1.00 1.12 O ATOM 0 H GLU A 90 -9.669 -2.035 13.367 1.00 0.27 H new ATOM 0 HA GLU A 90 -12.166 -3.155 12.808 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -13.723 -1.471 13.829 1.00 0.31 H new ATOM 0 HB3 GLU A 90 -13.010 -2.565 14.997 1.00 0.31 H new ATOM 0 HG2 GLU A 90 -11.110 -0.572 14.994 1.00 0.32 H new ATOM 0 HG3 GLU A 90 -12.538 0.371 14.615 1.00 0.32 H new ATOM 1446 N ASN A 91 -10.721 -0.229 12.444 1.00 0.25 N ATOM 1447 CA ASN A 91 -10.438 0.858 11.470 1.00 0.23 C ATOM 1448 C ASN A 91 -9.018 0.663 10.949 1.00 0.22 C ATOM 1449 O ASN A 91 -8.523 1.447 10.166 1.00 0.21 O ATOM 1450 CB ASN A 91 -10.552 2.218 12.156 1.00 0.24 C ATOM 1451 CG ASN A 91 -11.966 2.404 12.708 1.00 0.26 C ATOM 1452 OD1 ASN A 91 -12.755 1.479 12.722 1.00 0.27 O ATOM 1453 ND2 ASN A 91 -12.324 3.573 13.164 1.00 0.28 N ATOM 0 H ASN A 91 -10.171 -0.186 13.302 1.00 0.25 H new ATOM 0 HA ASN A 91 -11.155 0.824 10.649 1.00 0.23 H new ATOM 0 HB2 ASN A 91 -9.824 2.290 12.964 1.00 0.24 H new ATOM 0 HB3 ASN A 91 -10.321 3.013 11.447 1.00 0.24 H new ATOM 0 HD21 ASN A 91 -13.265 3.710 13.532 1.00 0.28 H new ATOM 0 HD22 ASN A 91 -11.662 4.349 13.153 1.00 0.28 H new ATOM 1460 N LYS A 92 -8.357 -0.386 11.375 1.00 0.22 N ATOM 1461 CA LYS A 92 -6.986 -0.646 10.890 1.00 0.22 C ATOM 1462 C LYS A 92 -6.983 -2.004 10.189 1.00 0.22 C ATOM 1463 O LYS A 92 -7.212 -3.026 10.803 1.00 0.39 O ATOM 1464 CB LYS A 92 -6.019 -0.674 12.071 1.00 0.24 C ATOM 1465 CG LYS A 92 -4.596 -0.485 11.556 1.00 0.75 C ATOM 1466 CD LYS A 92 -3.939 -1.851 11.354 1.00 1.57 C ATOM 1467 CE LYS A 92 -2.455 -1.663 11.036 1.00 2.10 C ATOM 1468 NZ LYS A 92 -1.676 -1.626 12.306 1.00 2.48 N ATOM 0 H LYS A 92 -8.718 -1.070 12.040 1.00 0.22 H new ATOM 0 HA LYS A 92 -6.672 0.138 10.200 1.00 0.22 H new ATOM 0 HB2 LYS A 92 -6.270 0.114 12.781 1.00 0.24 H new ATOM 0 HB3 LYS A 92 -6.103 -1.621 12.604 1.00 0.24 H new ATOM 0 HG2 LYS A 92 -4.609 0.066 10.616 1.00 0.75 H new ATOM 0 HG3 LYS A 92 -4.017 0.107 12.265 1.00 0.75 H new ATOM 0 HD2 LYS A 92 -4.055 -2.458 12.252 1.00 1.57 H new ATOM 0 HD3 LYS A 92 -4.431 -2.386 10.542 1.00 1.57 H new ATOM 0 HE2 LYS A 92 -2.102 -2.477 10.404 1.00 2.10 H new ATOM 0 HE3 LYS A 92 -2.306 -0.738 10.478 1.00 2.10 H new ATOM 0 HZ1 LYS A 92 -0.667 -1.498 12.091 1.00 2.48 H new ATOM 0 HZ2 LYS A 92 -2.008 -0.835 12.894 1.00 2.48 H new ATOM 0 HZ3 LYS A 92 -1.809 -2.519 12.821 1.00 2.48 H new ATOM 1482 N MET A 93 -6.738 -2.025 8.911 1.00 0.19 N ATOM 1483 CA MET A 93 -6.732 -3.313 8.173 1.00 0.17 C ATOM 1484 C MET A 93 -5.350 -3.559 7.592 1.00 0.16 C ATOM 1485 O MET A 93 -4.570 -2.650 7.394 1.00 0.17 O ATOM 1486 CB MET A 93 -7.760 -3.302 7.029 1.00 0.16 C ATOM 1487 CG MET A 93 -8.139 -1.867 6.643 1.00 0.19 C ATOM 1488 SD MET A 93 -8.597 -1.805 4.891 1.00 0.22 S ATOM 1489 CE MET A 93 -9.663 -3.266 4.875 1.00 0.18 C ATOM 0 H MET A 93 -6.541 -1.200 8.344 1.00 0.19 H new ATOM 0 HA MET A 93 -6.996 -4.106 8.873 1.00 0.17 H new ATOM 0 HB2 MET A 93 -7.349 -3.819 6.162 1.00 0.16 H new ATOM 0 HB3 MET A 93 -8.653 -3.848 7.333 1.00 0.16 H new ATOM 0 HG2 MET A 93 -8.970 -1.522 7.258 1.00 0.19 H new ATOM 0 HG3 MET A 93 -7.302 -1.196 6.834 1.00 0.19 H new ATOM 0 HE1 MET A 93 -10.338 -3.214 4.021 1.00 0.18 H new ATOM 0 HE2 MET A 93 -9.049 -4.163 4.799 1.00 0.18 H new ATOM 0 HE3 MET A 93 -10.245 -3.302 5.796 1.00 0.18 H new ATOM 1499 N VAL A 94 -5.052 -4.791 7.324 1.00 0.15 N ATOM 1500 CA VAL A 94 -3.727 -5.141 6.756 1.00 0.15 C ATOM 1501 C VAL A 94 -3.908 -5.784 5.391 1.00 0.15 C ATOM 1502 O VAL A 94 -4.998 -5.884 4.865 1.00 0.15 O ATOM 1503 CB VAL A 94 -3.035 -6.143 7.673 1.00 0.17 C ATOM 1504 CG1 VAL A 94 -2.483 -5.425 8.901 1.00 0.18 C ATOM 1505 CG2 VAL A 94 -4.051 -7.192 8.109 1.00 0.17 C ATOM 0 H VAL A 94 -5.677 -5.583 7.476 1.00 0.15 H new ATOM 0 HA VAL A 94 -3.128 -4.235 6.664 1.00 0.15 H new ATOM 0 HB VAL A 94 -2.211 -6.620 7.142 1.00 0.17 H new ATOM 0 HG11 VAL A 94 -1.990 -6.146 9.553 1.00 0.18 H new ATOM 0 HG12 VAL A 94 -1.764 -4.668 8.587 1.00 0.18 H new ATOM 0 HG13 VAL A 94 -3.300 -4.947 9.441 1.00 0.18 H new ATOM 0 HG21 VAL A 94 -3.568 -7.915 8.766 1.00 0.17 H new ATOM 0 HG22 VAL A 94 -4.869 -6.707 8.642 1.00 0.17 H new ATOM 0 HG23 VAL A 94 -4.444 -7.705 7.231 1.00 0.17 H new ATOM 1515 N CYS A 95 -2.832 -6.233 4.833 1.00 0.15 N ATOM 1516 CA CYS A 95 -2.876 -6.903 3.511 1.00 0.16 C ATOM 1517 C CYS A 95 -1.564 -7.644 3.338 1.00 0.17 C ATOM 1518 O CYS A 95 -0.689 -7.223 2.608 1.00 0.17 O ATOM 1519 CB CYS A 95 -3.043 -5.870 2.405 1.00 0.16 C ATOM 1520 SG CYS A 95 -3.419 -6.716 0.849 1.00 0.18 S ATOM 0 H CYS A 95 -1.901 -6.164 5.244 1.00 0.15 H new ATOM 0 HA CYS A 95 -3.719 -7.592 3.456 1.00 0.16 H new ATOM 0 HB2 CYS A 95 -3.844 -5.176 2.658 1.00 0.16 H new ATOM 0 HB3 CYS A 95 -2.132 -5.281 2.301 1.00 0.16 H new ATOM 0 HG CYS A 95 -3.171 -5.920 -0.149 1.00 0.18 H new ATOM 1526 N GLU A 96 -1.405 -8.727 4.041 1.00 0.18 N ATOM 1527 CA GLU A 96 -0.127 -9.477 3.958 1.00 0.18 C ATOM 1528 C GLU A 96 0.063 -10.073 2.564 1.00 0.19 C ATOM 1529 O GLU A 96 -0.623 -10.996 2.170 1.00 0.20 O ATOM 1530 CB GLU A 96 -0.107 -10.600 4.991 1.00 0.19 C ATOM 1531 CG GLU A 96 1.285 -11.230 5.000 1.00 0.20 C ATOM 1532 CD GLU A 96 1.266 -12.511 5.836 1.00 0.21 C ATOM 1533 OE1 GLU A 96 0.306 -13.255 5.722 1.00 1.10 O ATOM 1534 OE2 GLU A 96 2.213 -12.727 6.575 1.00 1.06 O ATOM 0 H GLU A 96 -2.104 -9.124 4.668 1.00 0.18 H new ATOM 0 HA GLU A 96 0.686 -8.780 4.160 1.00 0.18 H new ATOM 0 HB2 GLU A 96 -0.352 -10.210 5.979 1.00 0.19 H new ATOM 0 HB3 GLU A 96 -0.860 -11.350 4.749 1.00 0.19 H new ATOM 0 HG2 GLU A 96 1.600 -11.454 3.981 1.00 0.20 H new ATOM 0 HG3 GLU A 96 2.010 -10.527 5.410 1.00 0.20 H new ATOM 1541 N GLN A 97 1.007 -9.559 1.827 1.00 0.20 N ATOM 1542 CA GLN A 97 1.277 -10.087 0.471 1.00 0.22 C ATOM 1543 C GLN A 97 2.492 -11.020 0.539 1.00 0.23 C ATOM 1544 O GLN A 97 3.543 -10.640 1.016 1.00 0.24 O ATOM 1545 CB GLN A 97 1.583 -8.916 -0.457 1.00 0.22 C ATOM 1546 CG GLN A 97 0.414 -7.929 -0.443 1.00 0.25 C ATOM 1547 CD GLN A 97 0.267 -7.291 -1.825 1.00 0.30 C ATOM 1548 OE1 GLN A 97 1.219 -7.216 -2.577 1.00 0.57 O ATOM 1549 NE2 GLN A 97 -0.893 -6.822 -2.194 1.00 0.38 N ATOM 0 H GLN A 97 1.608 -8.786 2.114 1.00 0.20 H new ATOM 0 HA GLN A 97 0.414 -10.637 0.096 1.00 0.22 H new ATOM 0 HB2 GLN A 97 2.498 -8.416 -0.138 1.00 0.22 H new ATOM 0 HB3 GLN A 97 1.754 -9.278 -1.471 1.00 0.22 H new ATOM 0 HG2 GLN A 97 -0.507 -8.444 -0.169 1.00 0.25 H new ATOM 0 HG3 GLN A 97 0.584 -7.158 0.309 1.00 0.25 H new ATOM 0 HE21 GLN A 97 -1.692 -6.885 -1.564 1.00 0.38 H new ATOM 0 HE22 GLN A 97 -1.001 -6.393 -3.113 1.00 0.38 H new ATOM 1558 N LYS A 98 2.362 -12.237 0.078 1.00 0.24 N ATOM 1559 CA LYS A 98 3.523 -13.179 0.136 1.00 0.26 C ATOM 1560 C LYS A 98 3.822 -13.730 -1.261 1.00 0.27 C ATOM 1561 O LYS A 98 3.009 -13.636 -2.159 1.00 0.31 O ATOM 1562 CB LYS A 98 3.188 -14.337 1.079 1.00 0.32 C ATOM 1563 CG LYS A 98 1.873 -14.987 0.643 1.00 0.54 C ATOM 1564 CD LYS A 98 1.485 -16.077 1.644 1.00 0.91 C ATOM 1565 CE LYS A 98 0.275 -16.849 1.115 1.00 1.30 C ATOM 1566 NZ LYS A 98 -0.210 -17.790 2.164 1.00 1.86 N ATOM 0 H LYS A 98 1.510 -12.619 -0.333 1.00 0.24 H new ATOM 0 HA LYS A 98 4.400 -12.645 0.503 1.00 0.26 H new ATOM 0 HB2 LYS A 98 3.991 -15.074 1.067 1.00 0.32 H new ATOM 0 HB3 LYS A 98 3.104 -13.973 2.103 1.00 0.32 H new ATOM 0 HG2 LYS A 98 1.086 -14.236 0.584 1.00 0.54 H new ATOM 0 HG3 LYS A 98 1.980 -15.415 -0.354 1.00 0.54 H new ATOM 0 HD2 LYS A 98 2.323 -16.756 1.801 1.00 0.91 H new ATOM 0 HD3 LYS A 98 1.251 -15.631 2.611 1.00 0.91 H new ATOM 0 HE2 LYS A 98 -0.519 -16.156 0.837 1.00 1.30 H new ATOM 0 HE3 LYS A 98 0.547 -17.400 0.214 1.00 1.30 H new ATOM 0 HZ1 LYS A 98 -1.033 -18.315 1.805 1.00 1.86 H new ATOM 0 HZ2 LYS A 98 0.548 -18.459 2.408 1.00 1.86 H new ATOM 0 HZ3 LYS A 98 -0.485 -17.253 3.012 1.00 1.86 H new ATOM 1580 N LEU A 99 4.982 -14.313 -1.450 1.00 0.32 N ATOM 1581 CA LEU A 99 5.318 -14.878 -2.795 1.00 0.33 C ATOM 1582 C LEU A 99 5.135 -16.396 -2.777 1.00 0.37 C ATOM 1583 O LEU A 99 5.831 -17.124 -3.456 1.00 0.66 O ATOM 1584 CB LEU A 99 6.759 -14.533 -3.220 1.00 0.36 C ATOM 1585 CG LEU A 99 7.633 -14.227 -2.006 1.00 0.38 C ATOM 1586 CD1 LEU A 99 9.089 -14.572 -2.330 1.00 0.46 C ATOM 1587 CD2 LEU A 99 7.532 -12.738 -1.671 1.00 0.38 C ATOM 0 H LEU A 99 5.704 -14.421 -0.738 1.00 0.32 H new ATOM 0 HA LEU A 99 4.641 -14.429 -3.522 1.00 0.33 H new ATOM 0 HB2 LEU A 99 7.186 -15.366 -3.778 1.00 0.36 H new ATOM 0 HB3 LEU A 99 6.748 -13.673 -3.890 1.00 0.36 H new ATOM 0 HG LEU A 99 7.295 -14.819 -1.155 1.00 0.38 H new ATOM 0 HD11 LEU A 99 9.716 -14.355 -1.465 1.00 0.46 H new ATOM 0 HD12 LEU A 99 9.166 -15.631 -2.577 1.00 0.46 H new ATOM 0 HD13 LEU A 99 9.424 -13.976 -3.179 1.00 0.46 H new ATOM 0 HD21 LEU A 99 8.155 -12.517 -0.804 1.00 0.38 H new ATOM 0 HD22 LEU A 99 7.873 -12.149 -2.523 1.00 0.38 H new ATOM 0 HD23 LEU A 99 6.496 -12.485 -1.447 1.00 0.38 H new ATOM 1599 N LEU A 100 4.187 -16.872 -2.014 1.00 0.55 N ATOM 1600 CA LEU A 100 3.925 -18.341 -1.951 1.00 0.56 C ATOM 1601 C LEU A 100 5.167 -19.096 -1.466 1.00 0.65 C ATOM 1602 O LEU A 100 5.254 -20.303 -1.587 1.00 0.68 O ATOM 1603 CB LEU A 100 3.552 -18.844 -3.342 1.00 0.55 C ATOM 1604 CG LEU A 100 2.325 -18.083 -3.851 1.00 0.51 C ATOM 1605 CD1 LEU A 100 2.105 -18.398 -5.332 1.00 0.61 C ATOM 1606 CD2 LEU A 100 1.090 -18.508 -3.051 1.00 0.62 C ATOM 0 H LEU A 100 3.578 -16.302 -1.427 1.00 0.55 H new ATOM 0 HA LEU A 100 3.109 -18.518 -1.250 1.00 0.56 H new ATOM 0 HB2 LEU A 100 4.389 -18.705 -4.027 1.00 0.55 H new ATOM 0 HB3 LEU A 100 3.342 -19.913 -3.309 1.00 0.55 H new ATOM 0 HG LEU A 100 2.487 -17.012 -3.727 1.00 0.51 H new ATOM 0 HD11 LEU A 100 1.231 -17.856 -5.693 1.00 0.61 H new ATOM 0 HD12 LEU A 100 2.982 -18.094 -5.903 1.00 0.61 H new ATOM 0 HD13 LEU A 100 1.944 -19.469 -5.456 1.00 0.61 H new ATOM 0 HD21 LEU A 100 0.217 -17.966 -3.414 1.00 0.62 H new ATOM 0 HD22 LEU A 100 0.928 -19.579 -3.173 1.00 0.62 H new ATOM 0 HD23 LEU A 100 1.244 -18.282 -1.996 1.00 0.62 H new ATOM 1618 N LYS A 101 6.126 -18.403 -0.923 1.00 0.83 N ATOM 1619 CA LYS A 101 7.358 -19.086 -0.436 1.00 0.92 C ATOM 1620 C LYS A 101 8.202 -18.101 0.370 1.00 0.95 C ATOM 1621 O LYS A 101 8.650 -18.396 1.461 1.00 1.57 O ATOM 1622 CB LYS A 101 8.166 -19.589 -1.629 1.00 0.95 C ATOM 1623 CG LYS A 101 9.029 -20.776 -1.199 1.00 1.82 C ATOM 1624 CD LYS A 101 8.278 -22.078 -1.478 1.00 2.62 C ATOM 1625 CE LYS A 101 9.251 -23.257 -1.402 1.00 3.02 C ATOM 1626 NZ LYS A 101 8.962 -24.212 -2.508 1.00 3.75 N ATOM 0 H LYS A 101 6.111 -17.391 -0.794 1.00 0.83 H new ATOM 0 HA LYS A 101 7.080 -19.929 0.197 1.00 0.92 H new ATOM 0 HB2 LYS A 101 7.496 -19.887 -2.436 1.00 0.95 H new ATOM 0 HB3 LYS A 101 8.797 -18.789 -2.017 1.00 0.95 H new ATOM 0 HG2 LYS A 101 9.975 -20.766 -1.740 1.00 1.82 H new ATOM 0 HG3 LYS A 101 9.267 -20.701 -0.138 1.00 1.82 H new ATOM 0 HD2 LYS A 101 7.475 -22.209 -0.753 1.00 2.62 H new ATOM 0 HD3 LYS A 101 7.815 -22.039 -2.464 1.00 2.62 H new ATOM 0 HE2 LYS A 101 10.278 -22.900 -1.475 1.00 3.02 H new ATOM 0 HE3 LYS A 101 9.156 -23.759 -0.439 1.00 3.02 H new ATOM 0 HZ1 LYS A 101 9.623 -25.013 -2.456 1.00 3.75 H new ATOM 0 HZ2 LYS A 101 7.987 -24.562 -2.419 1.00 3.75 H new ATOM 0 HZ3 LYS A 101 9.074 -23.729 -3.422 1.00 3.75 H new ATOM 1640 N GLY A 102 8.421 -16.934 -0.164 1.00 0.50 N ATOM 1641 CA GLY A 102 9.236 -15.918 0.560 1.00 0.46 C ATOM 1642 C GLY A 102 10.684 -16.393 0.655 1.00 0.46 C ATOM 1643 O GLY A 102 10.957 -17.547 0.922 1.00 0.53 O ATOM 0 H GLY A 102 8.070 -16.637 -1.075 1.00 0.50 H new ATOM 0 HA2 GLY A 102 9.190 -14.962 0.038 1.00 0.46 H new ATOM 0 HA3 GLY A 102 8.830 -15.756 1.558 1.00 0.46 H new ATOM 1647 N GLU A 103 11.611 -15.502 0.451 1.00 0.44 N ATOM 1648 CA GLU A 103 13.048 -15.875 0.539 1.00 0.47 C ATOM 1649 C GLU A 103 13.682 -15.102 1.693 1.00 0.44 C ATOM 1650 O GLU A 103 14.473 -15.627 2.452 1.00 0.49 O ATOM 1651 CB GLU A 103 13.758 -15.528 -0.773 1.00 0.52 C ATOM 1652 CG GLU A 103 13.521 -14.055 -1.117 1.00 0.50 C ATOM 1653 CD GLU A 103 14.173 -13.735 -2.463 1.00 0.62 C ATOM 1654 OE1 GLU A 103 13.820 -14.379 -3.437 1.00 1.20 O ATOM 1655 OE2 GLU A 103 15.014 -12.851 -2.498 1.00 1.25 O ATOM 0 H GLU A 103 11.433 -14.523 0.225 1.00 0.44 H new ATOM 0 HA GLU A 103 13.143 -16.947 0.713 1.00 0.47 H new ATOM 0 HB2 GLU A 103 14.827 -15.722 -0.681 1.00 0.52 H new ATOM 0 HB3 GLU A 103 13.387 -16.163 -1.577 1.00 0.52 H new ATOM 0 HG2 GLU A 103 12.452 -13.848 -1.160 1.00 0.50 H new ATOM 0 HG3 GLU A 103 13.938 -13.417 -0.338 1.00 0.50 H new ATOM 1662 N GLY A 104 13.319 -13.858 1.835 1.00 0.37 N ATOM 1663 CA GLY A 104 13.866 -13.031 2.941 1.00 0.36 C ATOM 1664 C GLY A 104 12.744 -12.136 3.477 1.00 0.32 C ATOM 1665 O GLY A 104 12.039 -12.518 4.390 1.00 0.33 O ATOM 0 H GLY A 104 12.659 -13.376 1.224 1.00 0.37 H new ATOM 0 HA2 GLY A 104 14.254 -13.669 3.735 1.00 0.36 H new ATOM 0 HA3 GLY A 104 14.698 -12.424 2.585 1.00 0.36 H new ATOM 1669 N PRO A 105 12.597 -10.974 2.885 1.00 0.29 N ATOM 1670 CA PRO A 105 11.553 -10.018 3.281 1.00 0.26 C ATOM 1671 C PRO A 105 10.216 -10.397 2.638 1.00 0.25 C ATOM 1672 O PRO A 105 10.018 -11.519 2.215 1.00 0.27 O ATOM 1673 CB PRO A 105 12.060 -8.686 2.735 1.00 0.25 C ATOM 1674 CG PRO A 105 13.039 -9.027 1.586 1.00 0.27 C ATOM 1675 CD PRO A 105 13.457 -10.498 1.781 1.00 0.30 C ATOM 0 HA PRO A 105 11.379 -9.992 4.357 1.00 0.26 H new ATOM 0 HB2 PRO A 105 11.233 -8.075 2.372 1.00 0.25 H new ATOM 0 HB3 PRO A 105 12.561 -8.113 3.515 1.00 0.25 H new ATOM 0 HG2 PRO A 105 12.562 -8.886 0.616 1.00 0.27 H new ATOM 0 HG3 PRO A 105 13.909 -8.371 1.612 1.00 0.27 H new ATOM 0 HD2 PRO A 105 13.300 -11.081 0.873 1.00 0.30 H new ATOM 0 HD3 PRO A 105 14.514 -10.582 2.034 1.00 0.30 H new ATOM 1683 N LYS A 106 9.294 -9.473 2.571 1.00 0.23 N ATOM 1684 CA LYS A 106 7.971 -9.784 1.969 1.00 0.23 C ATOM 1685 C LYS A 106 7.201 -8.491 1.705 1.00 0.22 C ATOM 1686 O LYS A 106 7.601 -7.420 2.117 1.00 0.21 O ATOM 1687 CB LYS A 106 7.186 -10.639 2.950 1.00 0.25 C ATOM 1688 CG LYS A 106 6.463 -11.758 2.199 1.00 0.29 C ATOM 1689 CD LYS A 106 6.298 -12.969 3.120 1.00 0.44 C ATOM 1690 CE LYS A 106 7.620 -13.734 3.205 1.00 1.23 C ATOM 1691 NZ LYS A 106 7.389 -15.053 3.859 1.00 1.38 N ATOM 0 H LYS A 106 9.403 -8.517 2.908 1.00 0.23 H new ATOM 0 HA LYS A 106 8.111 -10.313 1.026 1.00 0.23 H new ATOM 0 HB2 LYS A 106 7.858 -11.064 3.695 1.00 0.25 H new ATOM 0 HB3 LYS A 106 6.464 -10.023 3.487 1.00 0.25 H new ATOM 0 HG2 LYS A 106 5.487 -11.411 1.859 1.00 0.29 H new ATOM 0 HG3 LYS A 106 7.029 -12.038 1.310 1.00 0.29 H new ATOM 0 HD2 LYS A 106 5.990 -12.643 4.114 1.00 0.44 H new ATOM 0 HD3 LYS A 106 5.512 -13.622 2.741 1.00 0.44 H new ATOM 0 HE2 LYS A 106 8.034 -13.878 2.207 1.00 1.23 H new ATOM 0 HE3 LYS A 106 8.350 -13.157 3.773 1.00 1.23 H new ATOM 0 HZ1 LYS A 106 8.287 -15.574 3.917 1.00 1.38 H new ATOM 0 HZ2 LYS A 106 7.012 -14.904 4.817 1.00 1.38 H new ATOM 0 HZ3 LYS A 106 6.706 -15.603 3.300 1.00 1.38 H new ATOM 1705 N THR A 107 6.090 -8.590 1.030 1.00 0.22 N ATOM 1706 CA THR A 107 5.278 -7.380 0.740 1.00 0.22 C ATOM 1707 C THR A 107 4.018 -7.400 1.607 1.00 0.21 C ATOM 1708 O THR A 107 3.649 -8.419 2.156 1.00 0.21 O ATOM 1709 CB THR A 107 4.884 -7.384 -0.739 1.00 0.24 C ATOM 1710 OG1 THR A 107 4.699 -8.722 -1.177 1.00 0.26 O ATOM 1711 CG2 THR A 107 5.987 -6.729 -1.568 1.00 0.25 C ATOM 0 H THR A 107 5.709 -9.463 0.665 1.00 0.22 H new ATOM 0 HA THR A 107 5.856 -6.483 0.961 1.00 0.22 H new ATOM 0 HB THR A 107 3.956 -6.826 -0.865 1.00 0.24 H new ATOM 0 HG1 THR A 107 4.445 -8.724 -2.124 1.00 0.26 H new ATOM 0 HG21 THR A 107 5.703 -6.734 -2.620 1.00 0.25 H new ATOM 0 HG22 THR A 107 6.130 -5.701 -1.235 1.00 0.25 H new ATOM 0 HG23 THR A 107 6.916 -7.284 -1.441 1.00 0.25 H new ATOM 1719 N SER A 108 3.364 -6.277 1.741 1.00 0.20 N ATOM 1720 CA SER A 108 2.128 -6.212 2.578 1.00 0.19 C ATOM 1721 C SER A 108 1.707 -4.749 2.724 1.00 0.19 C ATOM 1722 O SER A 108 2.451 -3.851 2.384 1.00 0.20 O ATOM 1723 CB SER A 108 2.420 -6.783 3.967 1.00 0.19 C ATOM 1724 OG SER A 108 3.747 -6.440 4.346 1.00 0.20 O ATOM 0 H SER A 108 3.634 -5.396 1.304 1.00 0.20 H new ATOM 0 HA SER A 108 1.334 -6.789 2.104 1.00 0.19 H new ATOM 0 HB2 SER A 108 1.709 -6.388 4.692 1.00 0.19 H new ATOM 0 HB3 SER A 108 2.300 -7.866 3.960 1.00 0.19 H new ATOM 0 HG SER A 108 3.937 -6.803 5.236 1.00 0.20 H new ATOM 1730 N TRP A 109 0.543 -4.494 3.261 1.00 0.18 N ATOM 1731 CA TRP A 109 0.120 -3.077 3.463 1.00 0.18 C ATOM 1732 C TRP A 109 -1.001 -3.011 4.475 1.00 0.16 C ATOM 1733 O TRP A 109 -1.839 -3.887 4.553 1.00 0.15 O ATOM 1734 CB TRP A 109 -0.301 -2.393 2.147 1.00 0.19 C ATOM 1735 CG TRP A 109 -1.555 -2.949 1.539 1.00 0.18 C ATOM 1736 CD1 TRP A 109 -1.594 -3.562 0.337 1.00 0.19 C ATOM 1737 CD2 TRP A 109 -2.943 -2.900 2.017 1.00 0.16 C ATOM 1738 NE1 TRP A 109 -2.901 -3.902 0.042 1.00 0.19 N ATOM 1739 CE2 TRP A 109 -3.770 -3.522 1.044 1.00 0.17 C ATOM 1740 CE3 TRP A 109 -3.567 -2.396 3.183 1.00 0.15 C ATOM 1741 CZ2 TRP A 109 -5.153 -3.634 1.219 1.00 0.17 C ATOM 1742 CZ3 TRP A 109 -4.954 -2.514 3.354 1.00 0.14 C ATOM 1743 CH2 TRP A 109 -5.741 -3.130 2.376 1.00 0.15 C ATOM 0 H TRP A 109 -0.128 -5.199 3.566 1.00 0.18 H new ATOM 0 HA TRP A 109 0.984 -2.531 3.841 1.00 0.18 H new ATOM 0 HB2 TRP A 109 -0.442 -1.328 2.333 1.00 0.19 H new ATOM 0 HB3 TRP A 109 0.511 -2.486 1.426 1.00 0.19 H new ATOM 0 HD1 TRP A 109 -0.739 -3.756 -0.294 1.00 0.19 H new ATOM 0 HE1 TRP A 109 -3.188 -4.377 -0.814 1.00 0.19 H new ATOM 0 HE3 TRP A 109 -2.971 -1.917 3.946 1.00 0.15 H new ATOM 0 HZ2 TRP A 109 -5.760 -4.108 0.462 1.00 0.17 H new ATOM 0 HZ3 TRP A 109 -5.418 -2.126 4.249 1.00 0.14 H new ATOM 0 HH2 TRP A 109 -6.808 -3.215 2.519 1.00 0.15 H new ATOM 1754 N THR A 110 -1.014 -1.975 5.264 1.00 0.17 N ATOM 1755 CA THR A 110 -2.080 -1.849 6.287 1.00 0.16 C ATOM 1756 C THR A 110 -2.707 -0.462 6.226 1.00 0.16 C ATOM 1757 O THR A 110 -2.082 0.536 6.518 1.00 0.18 O ATOM 1758 CB THR A 110 -1.496 -2.088 7.674 1.00 0.17 C ATOM 1759 OG1 THR A 110 -0.670 -0.991 8.038 1.00 0.19 O ATOM 1760 CG2 THR A 110 -0.673 -3.376 7.667 1.00 0.18 C ATOM 0 H THR A 110 -0.335 -1.214 5.243 1.00 0.17 H new ATOM 0 HA THR A 110 -2.850 -2.594 6.086 1.00 0.16 H new ATOM 0 HB THR A 110 -2.305 -2.183 8.398 1.00 0.17 H new ATOM 0 HG1 THR A 110 -0.719 -0.300 7.345 1.00 0.19 H new ATOM 0 HG21 THR A 110 -0.256 -3.546 8.659 1.00 0.18 H new ATOM 0 HG22 THR A 110 -1.313 -4.215 7.393 1.00 0.18 H new ATOM 0 HG23 THR A 110 0.137 -3.286 6.943 1.00 0.18 H new ATOM 1768 N ARG A 111 -3.952 -0.409 5.864 1.00 0.16 N ATOM 1769 CA ARG A 111 -4.667 0.894 5.785 1.00 0.17 C ATOM 1770 C ARG A 111 -5.297 1.179 7.145 1.00 0.18 C ATOM 1771 O ARG A 111 -6.007 0.359 7.681 1.00 0.19 O ATOM 1772 CB ARG A 111 -5.753 0.800 4.707 1.00 0.16 C ATOM 1773 CG ARG A 111 -5.095 0.744 3.327 1.00 0.20 C ATOM 1774 CD ARG A 111 -6.137 0.359 2.272 1.00 0.32 C ATOM 1775 NE ARG A 111 -6.047 1.297 1.115 1.00 0.92 N ATOM 1776 CZ ARG A 111 -4.936 1.397 0.436 1.00 1.39 C ATOM 1777 NH1 ARG A 111 -4.227 0.331 0.181 1.00 2.21 N ATOM 1778 NH2 ARG A 111 -4.536 2.564 0.010 1.00 2.00 N ATOM 0 H ARG A 111 -4.515 -1.222 5.615 1.00 0.16 H new ATOM 0 HA ARG A 111 -3.979 1.699 5.526 1.00 0.17 H new ATOM 0 HB2 ARG A 111 -6.364 -0.088 4.867 1.00 0.16 H new ATOM 0 HB3 ARG A 111 -6.419 1.661 4.770 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -4.657 1.712 3.083 1.00 0.20 H new ATOM 0 HG3 ARG A 111 -4.282 0.018 3.331 1.00 0.20 H new ATOM 0 HD2 ARG A 111 -5.969 -0.665 1.937 1.00 0.32 H new ATOM 0 HD3 ARG A 111 -7.137 0.393 2.704 1.00 0.32 H new ATOM 0 HE ARG A 111 -6.855 1.862 0.854 1.00 0.92 H new ATOM 0 HH11 ARG A 111 -4.541 -0.581 0.512 1.00 2.21 H new ATOM 0 HH12 ARG A 111 -3.359 0.410 -0.349 1.00 2.21 H new ATOM 0 HH21 ARG A 111 -5.091 3.397 0.208 1.00 2.00 H new ATOM 0 HH22 ARG A 111 -3.668 2.643 -0.520 1.00 2.00 H new ATOM 1792 N GLU A 112 -5.042 2.322 7.720 1.00 0.18 N ATOM 1793 CA GLU A 112 -5.636 2.612 9.055 1.00 0.20 C ATOM 1794 C GLU A 112 -6.324 3.972 9.041 1.00 0.20 C ATOM 1795 O GLU A 112 -5.979 4.849 8.277 1.00 0.20 O ATOM 1796 CB GLU A 112 -4.539 2.604 10.121 1.00 0.23 C ATOM 1797 CG GLU A 112 -5.179 2.616 11.510 1.00 0.37 C ATOM 1798 CD GLU A 112 -4.083 2.575 12.577 1.00 0.69 C ATOM 1799 OE1 GLU A 112 -3.036 3.157 12.346 1.00 1.46 O ATOM 1800 OE2 GLU A 112 -4.310 1.964 13.608 1.00 1.36 O ATOM 0 H GLU A 112 -4.456 3.059 7.329 1.00 0.18 H new ATOM 0 HA GLU A 112 -6.374 1.844 9.286 1.00 0.20 H new ATOM 0 HB2 GLU A 112 -3.911 1.720 10.006 1.00 0.23 H new ATOM 0 HB3 GLU A 112 -3.892 3.473 9.999 1.00 0.23 H new ATOM 0 HG2 GLU A 112 -5.788 3.511 11.634 1.00 0.37 H new ATOM 0 HG3 GLU A 112 -5.844 1.760 11.623 1.00 0.37 H new ATOM 1807 N LEU A 113 -7.306 4.140 9.882 1.00 0.20 N ATOM 1808 CA LEU A 113 -8.047 5.426 9.940 1.00 0.21 C ATOM 1809 C LEU A 113 -7.698 6.148 11.244 1.00 0.27 C ATOM 1810 O LEU A 113 -7.078 5.585 12.125 1.00 0.30 O ATOM 1811 CB LEU A 113 -9.547 5.122 9.910 1.00 0.20 C ATOM 1812 CG LEU A 113 -10.027 4.867 8.477 1.00 0.18 C ATOM 1813 CD1 LEU A 113 -10.382 6.197 7.817 1.00 0.24 C ATOM 1814 CD2 LEU A 113 -8.951 4.157 7.658 1.00 0.16 C ATOM 0 H LEU A 113 -7.629 3.430 10.539 1.00 0.20 H new ATOM 0 HA LEU A 113 -7.777 6.058 9.094 1.00 0.21 H new ATOM 0 HB2 LEU A 113 -9.757 4.249 10.528 1.00 0.20 H new ATOM 0 HB3 LEU A 113 -10.100 5.958 10.339 1.00 0.20 H new ATOM 0 HG LEU A 113 -10.907 4.225 8.515 1.00 0.18 H new ATOM 0 HD11 LEU A 113 -10.724 6.018 6.798 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -11.174 6.685 8.385 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -9.502 6.840 7.797 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -9.317 3.988 6.645 1.00 0.16 H new ATOM 0 HD22 LEU A 113 -8.054 4.776 7.621 1.00 0.16 H new ATOM 0 HD23 LEU A 113 -8.713 3.200 8.122 1.00 0.16 H new ATOM 1826 N THR A 114 -8.092 7.386 11.377 1.00 0.30 N ATOM 1827 CA THR A 114 -7.783 8.134 12.630 1.00 0.37 C ATOM 1828 C THR A 114 -8.766 9.295 12.789 1.00 0.71 C ATOM 1829 O THR A 114 -8.970 10.075 11.880 1.00 1.76 O ATOM 1830 CB THR A 114 -6.354 8.677 12.567 1.00 0.52 C ATOM 1831 OG1 THR A 114 -5.577 7.867 11.696 1.00 1.04 O ATOM 1832 CG2 THR A 114 -5.738 8.660 13.967 1.00 0.83 C ATOM 0 H THR A 114 -8.613 7.911 10.674 1.00 0.30 H new ATOM 0 HA THR A 114 -7.875 7.462 13.483 1.00 0.37 H new ATOM 0 HB THR A 114 -6.371 9.700 12.192 1.00 0.52 H new ATOM 0 HG1 THR A 114 -5.548 8.277 10.806 1.00 1.04 H new ATOM 0 HG21 THR A 114 -4.720 9.047 13.921 1.00 0.83 H new ATOM 0 HG22 THR A 114 -6.334 9.283 14.634 1.00 0.83 H new ATOM 0 HG23 THR A 114 -5.721 7.638 14.345 1.00 0.83 H new ATOM 1840 N ASN A 115 -9.374 9.412 13.940 1.00 0.64 N ATOM 1841 CA ASN A 115 -10.348 10.518 14.175 1.00 0.75 C ATOM 1842 C ASN A 115 -11.492 10.428 13.157 1.00 0.73 C ATOM 1843 O ASN A 115 -12.489 9.773 13.393 1.00 0.84 O ATOM 1844 CB ASN A 115 -9.633 11.869 14.047 1.00 0.86 C ATOM 1845 CG ASN A 115 -8.824 12.146 15.318 1.00 1.06 C ATOM 1846 OD1 ASN A 115 -8.764 11.321 16.209 1.00 1.47 O ATOM 1847 ND2 ASN A 115 -8.192 13.282 15.438 1.00 1.52 N ATOM 0 H ASN A 115 -9.237 8.785 14.732 1.00 0.64 H new ATOM 0 HA ASN A 115 -10.762 10.428 15.179 1.00 0.75 H new ATOM 0 HB2 ASN A 115 -8.974 11.862 13.179 1.00 0.86 H new ATOM 0 HB3 ASN A 115 -10.362 12.664 13.888 1.00 0.86 H new ATOM 0 HD21 ASN A 115 -7.648 13.477 16.279 1.00 1.52 H new ATOM 0 HD22 ASN A 115 -8.242 13.975 14.691 1.00 1.52 H new ATOM 1854 N ASP A 116 -11.361 11.076 12.029 1.00 0.63 N ATOM 1855 CA ASP A 116 -12.442 11.022 11.005 1.00 0.63 C ATOM 1856 C ASP A 116 -11.935 11.633 9.699 1.00 0.52 C ATOM 1857 O ASP A 116 -12.675 12.262 8.967 1.00 0.56 O ATOM 1858 CB ASP A 116 -13.656 11.811 11.500 1.00 0.74 C ATOM 1859 CG ASP A 116 -14.902 11.367 10.732 1.00 1.27 C ATOM 1860 OD1 ASP A 116 -14.996 10.190 10.426 1.00 1.89 O ATOM 1861 OD2 ASP A 116 -15.740 12.211 10.463 1.00 1.94 O ATOM 0 H ASP A 116 -10.551 11.640 11.774 1.00 0.63 H new ATOM 0 HA ASP A 116 -12.730 9.985 10.835 1.00 0.63 H new ATOM 0 HB2 ASP A 116 -13.797 11.648 12.568 1.00 0.74 H new ATOM 0 HB3 ASP A 116 -13.491 12.879 11.359 1.00 0.74 H new ATOM 1866 N GLY A 117 -10.676 11.454 9.402 1.00 0.44 N ATOM 1867 CA GLY A 117 -10.116 12.024 8.143 1.00 0.41 C ATOM 1868 C GLY A 117 -8.589 11.945 8.173 1.00 0.42 C ATOM 1869 O GLY A 117 -7.900 12.822 7.691 1.00 0.69 O ATOM 0 H GLY A 117 -10.011 10.937 9.977 1.00 0.44 H new ATOM 0 HA2 GLY A 117 -10.501 11.477 7.283 1.00 0.41 H new ATOM 0 HA3 GLY A 117 -10.434 13.061 8.029 1.00 0.41 H new ATOM 1873 N GLU A 118 -8.058 10.893 8.724 1.00 0.37 N ATOM 1874 CA GLU A 118 -6.579 10.732 8.780 1.00 0.34 C ATOM 1875 C GLU A 118 -6.249 9.275 8.456 1.00 0.33 C ATOM 1876 O GLU A 118 -5.930 8.487 9.324 1.00 0.51 O ATOM 1877 CB GLU A 118 -6.072 11.081 10.182 1.00 0.37 C ATOM 1878 CG GLU A 118 -5.402 12.456 10.157 1.00 0.52 C ATOM 1879 CD GLU A 118 -4.899 12.806 11.559 1.00 0.93 C ATOM 1880 OE1 GLU A 118 -5.659 13.397 12.309 1.00 1.46 O ATOM 1881 OE2 GLU A 118 -3.763 12.478 11.858 1.00 1.70 O ATOM 0 H GLU A 118 -8.589 10.130 9.142 1.00 0.37 H new ATOM 0 HA GLU A 118 -6.098 11.397 8.062 1.00 0.34 H new ATOM 0 HB2 GLU A 118 -6.901 11.082 10.890 1.00 0.37 H new ATOM 0 HB3 GLU A 118 -5.363 10.326 10.522 1.00 0.37 H new ATOM 0 HG2 GLU A 118 -4.571 12.454 9.451 1.00 0.52 H new ATOM 0 HG3 GLU A 118 -6.110 13.211 9.814 1.00 0.52 H new ATOM 1888 N LEU A 119 -6.363 8.910 7.210 1.00 0.24 N ATOM 1889 CA LEU A 119 -6.102 7.501 6.805 1.00 0.22 C ATOM 1890 C LEU A 119 -4.605 7.259 6.585 1.00 0.23 C ATOM 1891 O LEU A 119 -4.057 7.604 5.559 1.00 0.24 O ATOM 1892 CB LEU A 119 -6.853 7.231 5.502 1.00 0.21 C ATOM 1893 CG LEU A 119 -6.998 5.725 5.282 1.00 0.19 C ATOM 1894 CD1 LEU A 119 -8.422 5.405 4.823 1.00 0.19 C ATOM 1895 CD2 LEU A 119 -6.008 5.278 4.209 1.00 0.21 C ATOM 0 H LEU A 119 -6.628 9.534 6.448 1.00 0.24 H new ATOM 0 HA LEU A 119 -6.441 6.833 7.597 1.00 0.22 H new ATOM 0 HB2 LEU A 119 -7.837 7.698 5.537 1.00 0.21 H new ATOM 0 HB3 LEU A 119 -6.317 7.679 4.665 1.00 0.21 H new ATOM 0 HG LEU A 119 -6.794 5.200 6.215 1.00 0.19 H new ATOM 0 HD11 LEU A 119 -8.521 4.331 4.667 1.00 0.19 H new ATOM 0 HD12 LEU A 119 -9.131 5.728 5.585 1.00 0.19 H new ATOM 0 HD13 LEU A 119 -8.629 5.928 3.889 1.00 0.19 H new ATOM 0 HD21 LEU A 119 -6.107 4.205 4.048 1.00 0.21 H new ATOM 0 HD22 LEU A 119 -6.217 5.806 3.278 1.00 0.21 H new ATOM 0 HD23 LEU A 119 -4.992 5.504 4.534 1.00 0.21 H new ATOM 1907 N ILE A 120 -3.942 6.639 7.525 1.00 0.23 N ATOM 1908 CA ILE A 120 -2.490 6.353 7.340 1.00 0.24 C ATOM 1909 C ILE A 120 -2.352 4.968 6.707 1.00 0.22 C ATOM 1910 O ILE A 120 -2.677 3.965 7.306 1.00 0.21 O ATOM 1911 CB ILE A 120 -1.771 6.403 8.690 1.00 0.26 C ATOM 1912 CG1 ILE A 120 -2.327 5.323 9.621 1.00 0.26 C ATOM 1913 CG2 ILE A 120 -1.997 7.774 9.320 1.00 0.29 C ATOM 1914 CD1 ILE A 120 -1.373 4.127 9.643 1.00 0.26 C ATOM 0 H ILE A 120 -4.341 6.320 8.408 1.00 0.23 H new ATOM 0 HA ILE A 120 -2.036 7.101 6.690 1.00 0.24 H new ATOM 0 HB ILE A 120 -0.706 6.229 8.539 1.00 0.26 H new ATOM 0 HG12 ILE A 120 -2.449 5.723 10.628 1.00 0.26 H new ATOM 0 HG13 ILE A 120 -3.314 5.008 9.282 1.00 0.26 H new ATOM 0 HG21 ILE A 120 -1.489 7.820 10.283 1.00 0.29 H new ATOM 0 HG22 ILE A 120 -1.599 8.547 8.662 1.00 0.29 H new ATOM 0 HG23 ILE A 120 -3.065 7.936 9.466 1.00 0.29 H new ATOM 0 HD11 ILE A 120 -1.769 3.358 10.306 1.00 0.26 H new ATOM 0 HD12 ILE A 120 -1.274 3.722 8.636 1.00 0.26 H new ATOM 0 HD13 ILE A 120 -0.395 4.448 10.003 1.00 0.26 H new ATOM 1926 N LEU A 121 -1.906 4.913 5.485 1.00 0.22 N ATOM 1927 CA LEU A 121 -1.788 3.602 4.792 1.00 0.21 C ATOM 1928 C LEU A 121 -0.311 3.244 4.565 1.00 0.22 C ATOM 1929 O LEU A 121 0.426 3.954 3.907 1.00 0.26 O ATOM 1930 CB LEU A 121 -2.550 3.699 3.453 1.00 0.22 C ATOM 1931 CG LEU A 121 -2.245 2.506 2.533 1.00 0.22 C ATOM 1932 CD1 LEU A 121 -0.922 2.739 1.802 1.00 0.26 C ATOM 1933 CD2 LEU A 121 -2.157 1.217 3.349 1.00 0.21 C ATOM 0 H LEU A 121 -1.617 5.722 4.935 1.00 0.22 H new ATOM 0 HA LEU A 121 -2.220 2.810 5.404 1.00 0.21 H new ATOM 0 HB2 LEU A 121 -3.622 3.743 3.647 1.00 0.22 H new ATOM 0 HB3 LEU A 121 -2.279 4.626 2.947 1.00 0.22 H new ATOM 0 HG LEU A 121 -3.051 2.411 1.805 1.00 0.22 H new ATOM 0 HD11 LEU A 121 -0.711 1.890 1.152 1.00 0.26 H new ATOM 0 HD12 LEU A 121 -0.992 3.647 1.203 1.00 0.26 H new ATOM 0 HD13 LEU A 121 -0.118 2.846 2.530 1.00 0.26 H new ATOM 0 HD21 LEU A 121 -1.941 0.380 2.685 1.00 0.21 H new ATOM 0 HD22 LEU A 121 -1.362 1.308 4.089 1.00 0.21 H new ATOM 0 HD23 LEU A 121 -3.106 1.042 3.856 1.00 0.21 H new ATOM 1945 N THR A 122 0.107 2.127 5.103 1.00 0.22 N ATOM 1946 CA THR A 122 1.513 1.662 4.932 1.00 0.22 C ATOM 1947 C THR A 122 1.531 0.553 3.880 1.00 0.21 C ATOM 1948 O THR A 122 0.516 -0.029 3.567 1.00 0.21 O ATOM 1949 CB THR A 122 2.018 1.092 6.251 1.00 0.21 C ATOM 1950 OG1 THR A 122 1.925 2.082 7.266 1.00 0.24 O ATOM 1951 CG2 THR A 122 3.470 0.644 6.097 1.00 0.22 C ATOM 0 H THR A 122 -0.479 1.508 5.663 1.00 0.22 H new ATOM 0 HA THR A 122 2.146 2.494 4.623 1.00 0.22 H new ATOM 0 HB THR A 122 1.407 0.234 6.530 1.00 0.21 H new ATOM 0 HG1 THR A 122 2.249 1.713 8.114 1.00 0.24 H new ATOM 0 HG21 THR A 122 3.827 0.237 7.043 1.00 0.22 H new ATOM 0 HG22 THR A 122 3.534 -0.122 5.325 1.00 0.22 H new ATOM 0 HG23 THR A 122 4.086 1.497 5.813 1.00 0.22 H new ATOM 1959 N MET A 123 2.673 0.240 3.346 1.00 0.22 N ATOM 1960 CA MET A 123 2.742 -0.848 2.329 1.00 0.22 C ATOM 1961 C MET A 123 4.186 -1.319 2.198 1.00 0.22 C ATOM 1962 O MET A 123 4.969 -0.760 1.456 1.00 0.24 O ATOM 1963 CB MET A 123 2.243 -0.333 0.979 1.00 0.24 C ATOM 1964 CG MET A 123 2.140 -1.502 -0.005 1.00 0.24 C ATOM 1965 SD MET A 123 3.464 -1.385 -1.236 1.00 0.27 S ATOM 1966 CE MET A 123 3.496 -3.132 -1.704 1.00 1.64 C ATOM 0 H MET A 123 3.563 0.687 3.567 1.00 0.22 H new ATOM 0 HA MET A 123 2.112 -1.680 2.644 1.00 0.22 H new ATOM 0 HB2 MET A 123 1.270 0.145 1.097 1.00 0.24 H new ATOM 0 HB3 MET A 123 2.925 0.424 0.591 1.00 0.24 H new ATOM 0 HG2 MET A 123 2.212 -2.448 0.531 1.00 0.24 H new ATOM 0 HG3 MET A 123 1.169 -1.489 -0.500 1.00 0.24 H new ATOM 0 HE1 MET A 123 4.436 -3.356 -2.209 1.00 1.64 H new ATOM 0 HE2 MET A 123 3.408 -3.750 -0.810 1.00 1.64 H new ATOM 0 HE3 MET A 123 2.664 -3.344 -2.375 1.00 1.64 H new ATOM 1976 N THR A 124 4.546 -2.337 2.927 1.00 0.20 N ATOM 1977 CA THR A 124 5.948 -2.838 2.866 1.00 0.20 C ATOM 1978 C THR A 124 6.198 -3.573 1.563 1.00 0.22 C ATOM 1979 O THR A 124 5.294 -3.835 0.793 1.00 0.23 O ATOM 1980 CB THR A 124 6.240 -3.784 4.037 1.00 0.19 C ATOM 1981 OG1 THR A 124 6.013 -5.130 3.639 1.00 0.19 O ATOM 1982 CG2 THR A 124 5.348 -3.453 5.233 1.00 0.18 C ATOM 0 H THR A 124 3.931 -2.844 3.563 1.00 0.20 H new ATOM 0 HA THR A 124 6.609 -1.974 2.928 1.00 0.20 H new ATOM 0 HB THR A 124 7.283 -3.658 4.328 1.00 0.19 H new ATOM 0 HG1 THR A 124 5.089 -5.381 3.846 1.00 0.19 H new ATOM 0 HG21 THR A 124 5.571 -4.136 6.053 1.00 0.18 H new ATOM 0 HG22 THR A 124 5.534 -2.428 5.553 1.00 0.18 H new ATOM 0 HG23 THR A 124 4.302 -3.559 4.947 1.00 0.18 H new ATOM 1990 N ALA A 125 7.433 -3.908 1.317 1.00 0.22 N ATOM 1991 CA ALA A 125 7.762 -4.633 0.062 1.00 0.24 C ATOM 1992 C ALA A 125 9.241 -5.017 0.024 1.00 0.24 C ATOM 1993 O ALA A 125 10.099 -4.192 -0.214 1.00 0.26 O ATOM 1994 CB ALA A 125 7.452 -3.736 -1.132 1.00 0.26 C ATOM 0 H ALA A 125 8.225 -3.712 1.929 1.00 0.22 H new ATOM 0 HA ALA A 125 7.163 -5.543 0.021 1.00 0.24 H new ATOM 0 HB1 ALA A 125 7.692 -4.263 -2.055 1.00 0.26 H new ATOM 0 HB2 ALA A 125 6.393 -3.476 -1.127 1.00 0.26 H new ATOM 0 HB3 ALA A 125 8.049 -2.826 -1.068 1.00 0.26 H new ATOM 2000 N ASP A 126 9.549 -6.269 0.232 1.00 0.24 N ATOM 2001 CA ASP A 126 10.978 -6.700 0.188 1.00 0.25 C ATOM 2002 C ASP A 126 11.747 -6.047 1.337 1.00 0.25 C ATOM 2003 O ASP A 126 12.936 -5.820 1.247 1.00 0.26 O ATOM 2004 CB ASP A 126 11.599 -6.277 -1.144 1.00 0.28 C ATOM 2005 CG ASP A 126 12.322 -7.468 -1.778 1.00 0.38 C ATOM 2006 OD1 ASP A 126 13.462 -7.705 -1.414 1.00 1.20 O ATOM 2007 OD2 ASP A 126 11.723 -8.122 -2.615 1.00 1.12 O ATOM 0 H ASP A 126 8.877 -7.010 0.430 1.00 0.24 H new ATOM 0 HA ASP A 126 11.030 -7.784 0.286 1.00 0.25 H new ATOM 0 HB2 ASP A 126 10.824 -5.909 -1.817 1.00 0.28 H new ATOM 0 HB3 ASP A 126 12.299 -5.457 -0.986 1.00 0.28 H new ATOM 2012 N ASP A 127 11.060 -5.751 2.412 1.00 0.23 N ATOM 2013 CA ASP A 127 11.697 -5.114 3.613 1.00 0.23 C ATOM 2014 C ASP A 127 11.480 -3.602 3.579 1.00 0.24 C ATOM 2015 O ASP A 127 11.716 -2.918 4.555 1.00 0.24 O ATOM 2016 CB ASP A 127 13.201 -5.407 3.665 1.00 0.25 C ATOM 2017 CG ASP A 127 13.709 -5.220 5.096 1.00 0.31 C ATOM 2018 OD1 ASP A 127 13.001 -5.607 6.011 1.00 1.09 O ATOM 2019 OD2 ASP A 127 14.797 -4.692 5.253 1.00 1.03 O ATOM 0 H ASP A 127 10.060 -5.927 2.512 1.00 0.23 H new ATOM 0 HA ASP A 127 11.229 -5.536 4.502 1.00 0.23 H new ATOM 0 HB2 ASP A 127 13.396 -6.426 3.329 1.00 0.25 H new ATOM 0 HB3 ASP A 127 13.736 -4.741 2.988 1.00 0.25 H new ATOM 2024 N VAL A 128 11.020 -3.070 2.478 1.00 0.24 N ATOM 2025 CA VAL A 128 10.784 -1.611 2.415 1.00 0.26 C ATOM 2026 C VAL A 128 9.434 -1.317 3.059 1.00 0.24 C ATOM 2027 O VAL A 128 8.695 -2.217 3.398 1.00 0.22 O ATOM 2028 CB VAL A 128 10.769 -1.160 0.953 1.00 0.28 C ATOM 2029 CG1 VAL A 128 11.986 -1.729 0.219 1.00 0.30 C ATOM 2030 CG2 VAL A 128 9.493 -1.654 0.272 1.00 0.27 C ATOM 0 H VAL A 128 10.800 -3.586 1.626 1.00 0.24 H new ATOM 0 HA VAL A 128 11.574 -1.076 2.942 1.00 0.26 H new ATOM 0 HB VAL A 128 10.802 -0.071 0.919 1.00 0.28 H new ATOM 0 HG11 VAL A 128 11.968 -1.404 -0.821 1.00 0.30 H new ATOM 0 HG12 VAL A 128 12.899 -1.371 0.696 1.00 0.30 H new ATOM 0 HG13 VAL A 128 11.959 -2.818 0.259 1.00 0.30 H new ATOM 0 HG21 VAL A 128 9.487 -1.330 -0.769 1.00 0.27 H new ATOM 0 HG22 VAL A 128 9.456 -2.743 0.314 1.00 0.27 H new ATOM 0 HG23 VAL A 128 8.624 -1.242 0.785 1.00 0.27 H new ATOM 2040 N VAL A 129 9.103 -0.073 3.223 1.00 0.25 N ATOM 2041 CA VAL A 129 7.791 0.263 3.830 1.00 0.24 C ATOM 2042 C VAL A 129 7.367 1.665 3.411 1.00 0.27 C ATOM 2043 O VAL A 129 8.000 2.648 3.736 1.00 0.29 O ATOM 2044 CB VAL A 129 7.881 0.146 5.354 1.00 0.23 C ATOM 2045 CG1 VAL A 129 7.104 1.289 6.026 1.00 0.24 C ATOM 2046 CG2 VAL A 129 7.282 -1.199 5.774 1.00 0.21 C ATOM 0 H VAL A 129 9.682 0.726 2.964 1.00 0.25 H new ATOM 0 HA VAL A 129 7.036 -0.439 3.476 1.00 0.24 H new ATOM 0 HB VAL A 129 8.924 0.210 5.664 1.00 0.23 H new ATOM 0 HG11 VAL A 129 7.178 1.192 7.109 1.00 0.24 H new ATOM 0 HG12 VAL A 129 7.526 2.246 5.718 1.00 0.24 H new ATOM 0 HG13 VAL A 129 6.057 1.241 5.728 1.00 0.24 H new ATOM 0 HG21 VAL A 129 7.338 -1.300 6.858 1.00 0.21 H new ATOM 0 HG22 VAL A 129 6.240 -1.248 5.458 1.00 0.21 H new ATOM 0 HG23 VAL A 129 7.841 -2.009 5.305 1.00 0.21 H new ATOM 2056 N CYS A 130 6.283 1.748 2.698 1.00 0.28 N ATOM 2057 CA CYS A 130 5.777 3.074 2.247 1.00 0.31 C ATOM 2058 C CYS A 130 4.688 3.541 3.213 1.00 0.29 C ATOM 2059 O CYS A 130 3.538 3.169 3.090 1.00 0.28 O ATOM 2060 CB CYS A 130 5.191 2.948 0.839 1.00 0.34 C ATOM 2061 SG CYS A 130 5.385 4.520 -0.038 1.00 0.44 S ATOM 0 H CYS A 130 5.720 0.949 2.405 1.00 0.28 H new ATOM 0 HA CYS A 130 6.594 3.795 2.231 1.00 0.31 H new ATOM 0 HB2 CYS A 130 5.695 2.150 0.294 1.00 0.34 H new ATOM 0 HB3 CYS A 130 4.136 2.678 0.895 1.00 0.34 H new ATOM 0 HG CYS A 130 4.889 4.413 -1.235 1.00 0.44 H new ATOM 2067 N THR A 131 5.044 4.344 4.179 1.00 0.29 N ATOM 2068 CA THR A 131 4.032 4.824 5.162 1.00 0.28 C ATOM 2069 C THR A 131 3.753 6.310 4.941 1.00 0.30 C ATOM 2070 O THR A 131 4.634 7.140 5.053 1.00 0.40 O ATOM 2071 CB THR A 131 4.568 4.625 6.580 1.00 0.31 C ATOM 2072 OG1 THR A 131 5.331 3.427 6.633 1.00 0.37 O ATOM 2073 CG2 THR A 131 3.401 4.534 7.566 1.00 0.31 C ATOM 0 H THR A 131 5.992 4.688 4.330 1.00 0.29 H new ATOM 0 HA THR A 131 3.110 4.258 5.028 1.00 0.28 H new ATOM 0 HB THR A 131 5.200 5.471 6.850 1.00 0.31 H new ATOM 0 HG1 THR A 131 5.677 3.299 7.541 1.00 0.37 H new ATOM 0 HG21 THR A 131 3.788 4.392 8.575 1.00 0.31 H new ATOM 0 HG22 THR A 131 2.819 5.455 7.526 1.00 0.31 H new ATOM 0 HG23 THR A 131 2.764 3.690 7.299 1.00 0.31 H new ATOM 2081 N ARG A 132 2.530 6.651 4.644 1.00 0.30 N ATOM 2082 CA ARG A 132 2.186 8.086 4.434 1.00 0.32 C ATOM 2083 C ARG A 132 0.758 8.333 4.917 1.00 0.32 C ATOM 2084 O ARG A 132 -0.146 7.572 4.631 1.00 0.43 O ATOM 2085 CB ARG A 132 2.307 8.456 2.950 1.00 0.40 C ATOM 2086 CG ARG A 132 1.970 7.251 2.072 1.00 0.62 C ATOM 2087 CD ARG A 132 2.021 7.674 0.605 1.00 0.53 C ATOM 2088 NE ARG A 132 2.195 6.470 -0.257 1.00 1.11 N ATOM 2089 CZ ARG A 132 2.460 6.610 -1.527 1.00 1.18 C ATOM 2090 NH1 ARG A 132 3.689 6.806 -1.920 1.00 1.77 N ATOM 2091 NH2 ARG A 132 1.496 6.555 -2.405 1.00 1.57 N ATOM 0 H ARG A 132 1.753 5.998 4.537 1.00 0.30 H new ATOM 0 HA ARG A 132 2.880 8.707 5.000 1.00 0.32 H new ATOM 0 HB2 ARG A 132 1.635 9.282 2.719 1.00 0.40 H new ATOM 0 HB3 ARG A 132 3.319 8.799 2.735 1.00 0.40 H new ATOM 0 HG2 ARG A 132 2.677 6.442 2.255 1.00 0.62 H new ATOM 0 HG3 ARG A 132 0.979 6.870 2.320 1.00 0.62 H new ATOM 0 HD2 ARG A 132 1.104 8.198 0.335 1.00 0.53 H new ATOM 0 HD3 ARG A 132 2.844 8.370 0.445 1.00 0.53 H new ATOM 0 HE ARG A 132 2.107 5.537 0.146 1.00 1.11 H new ATOM 0 HH11 ARG A 132 4.443 6.850 -1.234 1.00 1.77 H new ATOM 0 HH12 ARG A 132 3.896 6.915 -2.913 1.00 1.77 H new ATOM 0 HH21 ARG A 132 0.535 6.403 -2.099 1.00 1.57 H new ATOM 0 HH22 ARG A 132 1.703 6.664 -3.398 1.00 1.57 H new ATOM 2105 N VAL A 133 0.553 9.386 5.660 1.00 0.31 N ATOM 2106 CA VAL A 133 -0.810 9.684 6.180 1.00 0.30 C ATOM 2107 C VAL A 133 -1.684 10.234 5.054 1.00 0.31 C ATOM 2108 O VAL A 133 -1.202 10.788 4.088 1.00 0.33 O ATOM 2109 CB VAL A 133 -0.701 10.718 7.309 1.00 0.32 C ATOM 2110 CG1 VAL A 133 -2.073 11.343 7.582 1.00 0.34 C ATOM 2111 CG2 VAL A 133 -0.191 10.031 8.581 1.00 0.33 C ATOM 0 H VAL A 133 1.274 10.055 5.930 1.00 0.31 H new ATOM 0 HA VAL A 133 -1.264 8.771 6.564 1.00 0.30 H new ATOM 0 HB VAL A 133 -0.005 11.502 7.010 1.00 0.32 H new ATOM 0 HG11 VAL A 133 -1.986 12.075 8.385 1.00 0.34 H new ATOM 0 HG12 VAL A 133 -2.435 11.835 6.679 1.00 0.34 H new ATOM 0 HG13 VAL A 133 -2.776 10.564 7.877 1.00 0.34 H new ATOM 0 HG21 VAL A 133 -0.113 10.764 9.384 1.00 0.33 H new ATOM 0 HG22 VAL A 133 -0.887 9.245 8.874 1.00 0.33 H new ATOM 0 HG23 VAL A 133 0.790 9.595 8.391 1.00 0.33 H new ATOM 2121 N TYR A 134 -2.971 10.089 5.189 1.00 0.29 N ATOM 2122 CA TYR A 134 -3.902 10.603 4.154 1.00 0.29 C ATOM 2123 C TYR A 134 -5.040 11.344 4.836 1.00 0.29 C ATOM 2124 O TYR A 134 -5.255 11.220 6.025 1.00 0.32 O ATOM 2125 CB TYR A 134 -4.526 9.448 3.379 1.00 0.26 C ATOM 2126 CG TYR A 134 -3.512 8.811 2.477 1.00 0.27 C ATOM 2127 CD1 TYR A 134 -2.487 8.037 3.020 1.00 0.29 C ATOM 2128 CD2 TYR A 134 -3.610 8.981 1.094 1.00 0.29 C ATOM 2129 CE1 TYR A 134 -1.554 7.431 2.181 1.00 0.32 C ATOM 2130 CE2 TYR A 134 -2.676 8.379 0.250 1.00 0.32 C ATOM 2131 CZ TYR A 134 -1.645 7.601 0.792 1.00 0.34 C ATOM 2132 OH TYR A 134 -0.723 7.000 -0.041 1.00 0.38 O ATOM 0 H TYR A 134 -3.421 9.631 5.982 1.00 0.29 H new ATOM 0 HA TYR A 134 -3.342 11.253 3.481 1.00 0.29 H new ATOM 0 HB2 TYR A 134 -4.919 8.706 4.074 1.00 0.26 H new ATOM 0 HB3 TYR A 134 -5.368 9.811 2.790 1.00 0.26 H new ATOM 0 HD1 TYR A 134 -2.416 7.907 4.090 1.00 0.29 H new ATOM 0 HD2 TYR A 134 -4.408 9.578 0.678 1.00 0.29 H new ATOM 0 HE1 TYR A 134 -0.761 6.830 2.601 1.00 0.32 H new ATOM 0 HE2 TYR A 134 -2.748 8.513 -0.819 1.00 0.32 H new ATOM 0 HH TYR A 134 -0.932 7.219 -0.973 1.00 0.38 H new ATOM 2142 N VAL A 135 -5.797 12.072 4.079 1.00 0.30 N ATOM 2143 CA VAL A 135 -6.960 12.783 4.644 1.00 0.30 C ATOM 2144 C VAL A 135 -8.099 12.622 3.655 1.00 0.29 C ATOM 2145 O VAL A 135 -7.880 12.253 2.521 1.00 0.29 O ATOM 2146 CB VAL A 135 -6.638 14.247 4.840 1.00 0.34 C ATOM 2147 CG1 VAL A 135 -7.840 14.936 5.468 1.00 0.35 C ATOM 2148 CG2 VAL A 135 -5.435 14.371 5.770 1.00 0.36 C ATOM 0 H VAL A 135 -5.656 12.206 3.078 1.00 0.30 H new ATOM 0 HA VAL A 135 -7.229 12.374 5.618 1.00 0.30 H new ATOM 0 HB VAL A 135 -6.408 14.713 3.882 1.00 0.34 H new ATOM 0 HG11 VAL A 135 -7.618 15.993 5.614 1.00 0.35 H new ATOM 0 HG12 VAL A 135 -8.703 14.834 4.810 1.00 0.35 H new ATOM 0 HG13 VAL A 135 -8.061 14.476 6.431 1.00 0.35 H new ATOM 0 HG21 VAL A 135 -5.196 15.424 5.917 1.00 0.36 H new ATOM 0 HG22 VAL A 135 -5.670 13.915 6.732 1.00 0.36 H new ATOM 0 HG23 VAL A 135 -4.579 13.863 5.327 1.00 0.36 H new ATOM 2158 N ARG A 136 -9.307 12.865 4.047 1.00 0.30 N ATOM 2159 CA ARG A 136 -10.411 12.674 3.068 1.00 0.30 C ATOM 2160 C ARG A 136 -10.569 13.917 2.203 1.00 0.34 C ATOM 2161 O ARG A 136 -10.868 14.996 2.677 1.00 0.37 O ATOM 2162 CB ARG A 136 -11.730 12.365 3.768 1.00 0.30 C ATOM 2163 CG ARG A 136 -12.012 10.865 3.670 1.00 0.27 C ATOM 2164 CD ARG A 136 -12.650 10.376 4.972 1.00 0.47 C ATOM 2165 NE ARG A 136 -13.954 11.069 5.175 1.00 0.70 N ATOM 2166 CZ ARG A 136 -14.833 10.578 6.005 1.00 1.07 C ATOM 2167 NH1 ARG A 136 -15.183 9.324 5.918 1.00 1.72 N ATOM 2168 NH2 ARG A 136 -15.363 11.342 6.921 1.00 1.86 N ATOM 0 H ARG A 136 -9.581 13.180 4.978 1.00 0.30 H new ATOM 0 HA ARG A 136 -10.151 11.823 2.439 1.00 0.30 H new ATOM 0 HB2 ARG A 136 -11.681 12.670 4.813 1.00 0.30 H new ATOM 0 HB3 ARG A 136 -12.541 12.930 3.308 1.00 0.30 H new ATOM 0 HG2 ARG A 136 -12.677 10.664 2.830 1.00 0.27 H new ATOM 0 HG3 ARG A 136 -11.086 10.322 3.481 1.00 0.27 H new ATOM 0 HD2 ARG A 136 -12.801 9.297 4.933 1.00 0.47 H new ATOM 0 HD3 ARG A 136 -11.985 10.575 5.813 1.00 0.47 H new ATOM 0 HE ARG A 136 -14.159 11.928 4.665 1.00 0.70 H new ATOM 0 HH11 ARG A 136 -14.769 8.728 5.201 1.00 1.72 H new ATOM 0 HH12 ARG A 136 -15.870 8.940 6.567 1.00 1.72 H new ATOM 0 HH21 ARG A 136 -15.090 12.323 6.988 1.00 1.86 H new ATOM 0 HH22 ARG A 136 -16.050 10.959 7.570 1.00 1.86 H new ATOM 2182 N GLU A 137 -10.370 13.757 0.927 1.00 0.35 N ATOM 2183 CA GLU A 137 -10.501 14.902 -0.017 1.00 0.40 C ATOM 2184 C GLU A 137 -11.850 15.597 0.190 1.00 0.45 C ATOM 2185 O GLU A 137 -12.863 14.964 -0.057 1.00 1.17 O ATOM 2186 CB GLU A 137 -10.412 14.387 -1.456 1.00 0.45 C ATOM 2187 CG GLU A 137 -10.018 15.535 -2.386 1.00 0.54 C ATOM 2188 CD GLU A 137 -10.680 15.338 -3.751 1.00 1.09 C ATOM 2189 OE1 GLU A 137 -11.893 15.444 -3.820 1.00 1.92 O ATOM 2190 OE2 GLU A 137 -9.962 15.086 -4.704 1.00 1.48 O ATOM 2191 OXT GLU A 137 -11.846 16.749 0.590 1.00 1.17 O ATOM 0 H GLU A 137 -10.119 12.870 0.491 1.00 0.35 H new ATOM 0 HA GLU A 137 -9.697 15.614 0.170 1.00 0.40 H new ATOM 0 HB2 GLU A 137 -9.678 13.584 -1.521 1.00 0.45 H new ATOM 0 HB3 GLU A 137 -11.370 13.968 -1.764 1.00 0.45 H new ATOM 0 HG2 GLU A 137 -10.326 16.488 -1.955 1.00 0.54 H new ATOM 0 HG3 GLU A 137 -8.934 15.571 -2.498 1.00 0.54 H new TER 2198 GLU A 137