USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 58 SER OG : rot -178:sc= -1.29! USER MOD Set 1.2: A 80 ASN : amide:sc= -0.16 K(o=-1.5,f=-2.4) USER MOD Set 2.1: A 39 TYR OH : rot 82:sc= 0.738 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot 116:sc= -1.85! USER MOD Set 3.2: A 23 CYS SG : rot 60:sc= -1.33 USER MOD Set 4.1: A 5 HIS : no HE2:sc= -4.78! X(o=-13!,f=-14) USER MOD Set 4.2: A 92 ASN : amide:sc= -6.78! C(o=-13!,f=-24!) USER MOD Set 4.3: A 94 SER OG : rot 82:sc= -1.85 USER MOD Single : A 3 ASN : amide:sc= -0.536 K(o=-0.54,f=-5.9!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.55 F(o=-3.4!,f=-1.5) USER MOD Single : A 10 ASN :FLIP amide:sc= -5.97! C(o=-8!,f=-6!) USER MOD Single : A 17 HIS : no HE2:sc= -6.95! C(o=-7!,f=-9.6!) USER MOD Single : A 20 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-9.6!) USER MOD Single : A 25 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : A 33 SER OG : rot 160:sc= 0.346 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.21! C(o=-5.2!,f=-16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.218 F(o=-1.2,f=-0.22) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.12) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.47) USER MOD Single : A 99 ASN : amide:sc= -1.29 K(o=-1.3,f=-5!) USER MOD Single : A 101 CYS SG : rot 180:sc= -0.0768 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.769 -8.743 -4.022 1.00 0.00 N ATOM 21 CA GLY A 2 -5.267 -7.394 -3.825 1.00 0.00 C ATOM 22 C GLY A 2 -5.772 -6.775 -5.106 1.00 0.00 C ATOM 23 O GLY A 2 -5.270 -5.746 -5.559 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.072 -7.410 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.472 -6.773 -3.413 1.00 0.00 H new ATOM 27 N ASN A 3 -6.787 -7.404 -5.672 1.00 0.00 N ATOM 28 CA ASN A 3 -7.412 -6.933 -6.897 1.00 0.00 C ATOM 29 C ASN A 3 -8.030 -5.554 -6.697 1.00 0.00 C ATOM 30 O ASN A 3 -8.386 -4.882 -7.663 1.00 0.00 O ATOM 31 CB ASN A 3 -8.474 -7.924 -7.375 1.00 0.00 C ATOM 32 CG ASN A 3 -9.409 -8.353 -6.264 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.270 -7.926 -5.118 1.00 0.00 O ATOM 34 ND2 ASN A 3 -10.370 -9.205 -6.601 1.00 0.00 N ATOM 0 H ASN A 3 -7.202 -8.256 -5.296 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.638 -6.855 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.054 -7.470 -8.179 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.984 -8.803 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.031 -9.532 -5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.447 -9.532 -7.564 1.00 0.00 H new ATOM 41 N PHE A 4 -8.190 -5.146 -5.436 1.00 0.00 N ATOM 42 CA PHE A 4 -8.802 -3.860 -5.124 1.00 0.00 C ATOM 43 C PHE A 4 -8.235 -2.748 -6.003 1.00 0.00 C ATOM 44 O PHE A 4 -8.945 -1.814 -6.370 1.00 0.00 O ATOM 45 CB PHE A 4 -8.594 -3.518 -3.641 1.00 0.00 C ATOM 46 CG PHE A 4 -7.373 -2.678 -3.369 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.103 -3.178 -3.609 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.499 -1.387 -2.880 1.00 0.00 C ATOM 49 CE1 PHE A 4 -4.982 -2.408 -3.365 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.380 -0.612 -2.634 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.121 -1.123 -2.877 1.00 0.00 C ATOM 0 H PHE A 4 -7.904 -5.687 -4.620 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.870 -3.940 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.474 -2.990 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.518 -4.445 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.988 -4.182 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.482 -0.982 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.998 -2.810 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.491 0.392 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.246 -0.519 -2.686 1.00 0.00 H new ATOM 61 N HIS A 5 -6.958 -2.858 -6.345 1.00 0.00 N ATOM 62 CA HIS A 5 -6.311 -1.863 -7.187 1.00 0.00 C ATOM 63 C HIS A 5 -6.982 -1.797 -8.557 1.00 0.00 C ATOM 64 O HIS A 5 -7.087 -0.728 -9.158 1.00 0.00 O ATOM 65 CB HIS A 5 -4.819 -2.188 -7.334 1.00 0.00 C ATOM 66 CG HIS A 5 -4.500 -3.104 -8.478 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.233 -2.649 -9.753 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.407 -4.454 -8.535 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.992 -3.679 -10.544 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.090 -4.785 -9.830 1.00 0.00 N ATOM 0 H HIS A 5 -6.352 -3.625 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.412 -0.887 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.267 -1.257 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.465 -2.643 -6.409 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.223 -1.670 -10.040 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.555 -5.142 -7.715 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.755 -3.625 -11.596 1.00 0.00 H new ATOM 79 N GLU A 6 -7.430 -2.950 -9.043 1.00 0.00 N ATOM 80 CA GLU A 6 -8.088 -3.028 -10.341 1.00 0.00 C ATOM 81 C GLU A 6 -9.552 -2.603 -10.245 1.00 0.00 C ATOM 82 O GLU A 6 -10.150 -2.180 -11.235 1.00 0.00 O ATOM 83 CB GLU A 6 -7.978 -4.452 -10.902 1.00 0.00 C ATOM 84 CG GLU A 6 -8.937 -5.452 -10.266 1.00 0.00 C ATOM 85 CD GLU A 6 -9.835 -6.128 -11.285 1.00 0.00 C ATOM 86 OE1 GLU A 6 -10.651 -5.424 -11.917 1.00 0.00 O ATOM 87 OE2 GLU A 6 -9.720 -7.360 -11.452 1.00 0.00 O ATOM 0 H GLU A 6 -7.349 -3.843 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.585 -2.339 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.162 -4.422 -11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.957 -4.807 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.364 -6.210 -9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.553 -4.940 -9.527 1.00 0.00 H new ATOM 94 N SER A 7 -10.125 -2.721 -9.051 1.00 0.00 N ATOM 95 CA SER A 7 -11.519 -2.352 -8.834 1.00 0.00 C ATOM 96 C SER A 7 -11.637 -1.090 -7.980 1.00 0.00 C ATOM 97 O SER A 7 -12.714 -0.777 -7.472 1.00 0.00 O ATOM 98 CB SER A 7 -12.272 -3.503 -8.165 1.00 0.00 C ATOM 99 OG SER A 7 -12.580 -4.523 -9.099 1.00 0.00 O ATOM 0 H SER A 7 -9.646 -3.069 -8.220 1.00 0.00 H new ATOM 0 HA SER A 7 -11.963 -2.145 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.668 -3.916 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.191 -3.128 -7.716 1.00 0.00 H new ATOM 0 HG SER A 7 -13.060 -5.248 -8.646 1.00 0.00 H new ATOM 105 N SER A 8 -10.531 -0.366 -7.824 1.00 0.00 N ATOM 106 CA SER A 8 -10.532 0.859 -7.031 1.00 0.00 C ATOM 107 C SER A 8 -9.965 2.026 -7.830 1.00 0.00 C ATOM 108 O SER A 8 -9.170 1.836 -8.750 1.00 0.00 O ATOM 109 CB SER A 8 -9.724 0.669 -5.747 1.00 0.00 C ATOM 110 OG SER A 8 -9.780 1.828 -4.933 1.00 0.00 O ATOM 0 H SER A 8 -9.628 -0.605 -8.234 1.00 0.00 H new ATOM 0 HA SER A 8 -11.566 1.086 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.111 -0.187 -5.194 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.687 0.445 -5.996 1.00 0.00 H new ATOM 0 HG SER A 8 -10.231 1.614 -4.090 1.00 0.00 H new ATOM 116 N ASN A 9 -10.379 3.234 -7.467 1.00 0.00 N ATOM 117 CA ASN A 9 -9.916 4.437 -8.139 1.00 0.00 C ATOM 118 C ASN A 9 -9.239 5.377 -7.146 1.00 0.00 C ATOM 119 O ASN A 9 -9.435 5.266 -5.938 1.00 0.00 O ATOM 120 CB ASN A 9 -11.084 5.141 -8.835 1.00 0.00 C ATOM 121 CG ASN A 9 -10.707 6.504 -9.377 1.00 0.00 C ATOM 122 OD1 ASN A 9 -10.834 7.523 -8.538 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.306 6.640 -10.533 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.038 3.404 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.184 4.152 -8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.444 4.516 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.909 5.250 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.224 5.827 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.056 7.566 -10.880 1.00 0.00 H new ATOM 130 N ASN A 10 -8.432 6.289 -7.670 1.00 0.00 N ATOM 131 CA ASN A 10 -7.707 7.248 -6.846 1.00 0.00 C ATOM 132 C ASN A 10 -6.774 6.525 -5.870 1.00 0.00 C ATOM 133 O ASN A 10 -6.863 6.681 -4.657 1.00 0.00 O ATOM 134 CB ASN A 10 -8.697 8.203 -6.138 1.00 0.00 C ATOM 135 CG ASN A 10 -8.966 7.891 -4.676 1.00 0.00 C ATOM 136 OD1 ASN A 10 -10.043 7.163 -4.420 1.00 0.00 O flip ATOM 137 ND2 ASN A 10 -8.229 8.321 -3.789 1.00 0.00 N flip ATOM 0 H ASN A 10 -8.262 6.386 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.072 7.864 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.310 9.220 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.644 8.183 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.410 8.878 -4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.437 8.120 -2.811 1.00 0.00 H new ATOM 144 N ILE A 11 -5.862 5.732 -6.422 1.00 0.00 N ATOM 145 CA ILE A 11 -4.904 4.990 -5.609 1.00 0.00 C ATOM 146 C ILE A 11 -3.611 5.786 -5.455 1.00 0.00 C ATOM 147 O ILE A 11 -2.921 6.059 -6.438 1.00 0.00 O ATOM 148 CB ILE A 11 -4.574 3.601 -6.214 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.634 3.174 -7.235 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.456 2.557 -5.112 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.040 3.151 -6.677 1.00 0.00 C ATOM 0 H ILE A 11 -5.766 5.586 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.368 4.836 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.618 3.680 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.601 3.854 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.385 2.181 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.224 1.587 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.660 2.843 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.399 2.493 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.736 2.840 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.090 2.449 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.309 4.148 -6.327 1.00 0.00 H new ATOM 163 N TRP A 12 -3.290 6.163 -4.221 1.00 0.00 N ATOM 164 CA TRP A 12 -2.081 6.935 -3.950 1.00 0.00 C ATOM 165 C TRP A 12 -1.724 6.895 -2.468 1.00 0.00 C ATOM 166 O TRP A 12 -2.352 6.180 -1.688 1.00 0.00 O ATOM 167 CB TRP A 12 -2.269 8.386 -4.401 1.00 0.00 C ATOM 168 CG TRP A 12 -3.376 9.092 -3.679 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.708 8.800 -3.738 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.248 10.208 -2.790 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.417 9.665 -2.940 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.543 10.539 -2.347 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.164 10.958 -2.324 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.781 11.587 -1.462 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.403 11.999 -1.446 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.702 12.305 -1.023 1.00 0.00 C ATOM 0 H TRP A 12 -3.848 5.947 -3.395 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.262 6.486 -4.512 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.338 8.931 -4.246 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.474 8.403 -5.471 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.142 8.005 -4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.429 9.658 -2.810 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.158 10.728 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.782 11.825 -1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.574 12.586 -1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.856 13.124 -0.336 1.00 0.00 H new ATOM 187 N LEU A 13 -0.710 7.667 -2.086 1.00 0.00 N ATOM 188 CA LEU A 13 -0.270 7.717 -0.696 1.00 0.00 C ATOM 189 C LEU A 13 -0.137 9.157 -0.212 1.00 0.00 C ATOM 190 O LEU A 13 0.171 10.060 -0.989 1.00 0.00 O ATOM 191 CB LEU A 13 1.067 6.991 -0.538 1.00 0.00 C ATOM 192 CG LEU A 13 1.233 6.224 0.774 1.00 0.00 C ATOM 193 CD1 LEU A 13 0.113 5.208 0.945 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.591 5.541 0.822 1.00 0.00 C ATOM 0 H LEU A 13 -0.179 8.265 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.025 7.219 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.185 6.293 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.872 7.721 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 13 1.177 6.934 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.248 4.672 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.847 5.724 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.135 4.500 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.693 5.000 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.676 4.842 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.378 6.291 0.748 1.00 0.00 H new ATOM 206 N GLU A 14 -0.369 9.362 1.081 1.00 0.00 N ATOM 207 CA GLU A 14 -0.274 10.689 1.677 1.00 0.00 C ATOM 208 C GLU A 14 0.758 10.702 2.801 1.00 0.00 C ATOM 209 O GLU A 14 0.592 10.028 3.817 1.00 0.00 O ATOM 210 CB GLU A 14 -1.641 11.133 2.207 1.00 0.00 C ATOM 211 CG GLU A 14 -1.589 12.379 3.076 1.00 0.00 C ATOM 212 CD GLU A 14 -2.952 12.778 3.607 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.729 13.393 2.847 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.243 12.474 4.783 1.00 0.00 O ATOM 0 H GLU A 14 -0.625 8.624 1.737 1.00 0.00 H new ATOM 0 HA GLU A 14 0.048 11.389 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.305 11.318 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.079 10.318 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.914 12.205 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.173 13.204 2.497 1.00 0.00 H new ATOM 221 N ASP A 15 1.823 11.472 2.607 1.00 0.00 N ATOM 222 CA ASP A 15 2.888 11.576 3.599 1.00 0.00 C ATOM 223 C ASP A 15 3.620 10.244 3.770 1.00 0.00 C ATOM 224 O ASP A 15 4.387 10.067 4.717 1.00 0.00 O ATOM 225 CB ASP A 15 2.323 12.043 4.943 1.00 0.00 C ATOM 226 CG ASP A 15 2.908 13.369 5.387 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.140 13.544 5.271 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.135 14.234 5.851 1.00 0.00 O ATOM 0 H ASP A 15 1.972 12.035 1.770 1.00 0.00 H new ATOM 0 HA ASP A 15 3.606 12.313 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.240 12.135 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.526 11.287 5.702 1.00 0.00 H new ATOM 233 N GLY A 16 3.390 9.314 2.845 1.00 0.00 N ATOM 234 CA GLY A 16 4.046 8.022 2.911 1.00 0.00 C ATOM 235 C GLY A 16 3.600 7.180 4.092 1.00 0.00 C ATOM 236 O GLY A 16 4.430 6.715 4.874 1.00 0.00 O ATOM 0 H GLY A 16 2.760 9.434 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.849 7.475 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.124 8.173 2.968 1.00 0.00 H new ATOM 240 N HIS A 17 2.292 6.968 4.220 1.00 0.00 N ATOM 241 CA HIS A 17 1.757 6.159 5.314 1.00 0.00 C ATOM 242 C HIS A 17 0.242 5.995 5.203 1.00 0.00 C ATOM 243 O HIS A 17 -0.304 4.957 5.577 1.00 0.00 O ATOM 244 CB HIS A 17 2.129 6.771 6.669 1.00 0.00 C ATOM 245 CG HIS A 17 1.403 8.042 6.990 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.316 9.104 6.115 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.734 8.421 8.105 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.626 10.081 6.678 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.261 9.691 7.885 1.00 0.00 N ATOM 0 H HIS A 17 1.587 7.342 3.585 1.00 0.00 H new ATOM 0 HA HIS A 17 2.206 5.168 5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.925 6.041 7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.202 6.965 6.685 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.721 9.132 5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.598 7.833 9.001 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.399 11.036 6.227 1.00 0.00 H new ATOM 258 N ILE A 18 -0.435 7.018 4.690 1.00 0.00 N ATOM 259 CA ILE A 18 -1.885 6.972 4.538 1.00 0.00 C ATOM 260 C ILE A 18 -2.279 6.580 3.115 1.00 0.00 C ATOM 261 O ILE A 18 -1.772 7.138 2.142 1.00 0.00 O ATOM 262 CB ILE A 18 -2.531 8.328 4.897 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.312 8.638 6.380 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.019 8.327 4.565 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.117 7.757 7.312 1.00 0.00 C ATOM 0 H ILE A 18 -0.004 7.887 4.373 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.254 6.214 5.229 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.054 9.106 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.253 8.526 6.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.571 9.680 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.451 9.293 4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.154 8.147 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.518 7.541 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.910 8.035 8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.180 7.886 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.842 6.714 7.155 1.00 0.00 H new ATOM 277 N LEU A 19 -3.187 5.615 3.008 1.00 0.00 N ATOM 278 CA LEU A 19 -3.658 5.139 1.712 1.00 0.00 C ATOM 279 C LEU A 19 -5.108 5.551 1.480 1.00 0.00 C ATOM 280 O LEU A 19 -5.935 5.476 2.388 1.00 0.00 O ATOM 281 CB LEU A 19 -3.528 3.614 1.634 1.00 0.00 C ATOM 282 CG LEU A 19 -3.890 2.985 0.284 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.399 2.957 0.091 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.219 3.735 -0.857 1.00 0.00 C ATOM 0 H LEU A 19 -3.613 5.146 3.807 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.042 5.591 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.501 3.342 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.164 3.174 2.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.525 1.958 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.634 2.507 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.857 2.370 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.789 3.975 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.490 3.272 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.549 4.774 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.137 3.698 -0.730 1.00 0.00 H new ATOM 296 N HIS A 20 -5.413 5.985 0.261 1.00 0.00 N ATOM 297 CA HIS A 20 -6.769 6.403 -0.084 1.00 0.00 C ATOM 298 C HIS A 20 -7.169 5.869 -1.454 1.00 0.00 C ATOM 299 O HIS A 20 -6.399 5.946 -2.410 1.00 0.00 O ATOM 300 CB HIS A 20 -6.897 7.933 -0.068 1.00 0.00 C ATOM 301 CG HIS A 20 -5.734 8.639 0.558 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.472 8.643 0.004 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.647 9.370 1.694 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.660 9.345 0.771 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.348 9.798 1.803 1.00 0.00 N ATOM 0 H HIS A 20 -4.742 6.057 -0.504 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.441 5.988 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.015 8.287 -1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.805 8.205 0.470 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.207 8.176 -0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.450 9.578 2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.610 9.520 0.586 1.00 0.00 H new ATOM 314 N ALA A 21 -8.378 5.326 -1.537 1.00 0.00 N ATOM 315 CA ALA A 21 -8.891 4.777 -2.787 1.00 0.00 C ATOM 316 C ALA A 21 -10.384 4.490 -2.673 1.00 0.00 C ATOM 317 O ALA A 21 -10.870 4.110 -1.608 1.00 0.00 O ATOM 318 CB ALA A 21 -8.137 3.509 -3.155 1.00 0.00 C ATOM 0 H ALA A 21 -9.024 5.254 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.741 5.515 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.530 3.110 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.078 3.737 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.261 2.769 -2.364 1.00 0.00 H new ATOM 324 N GLU A 22 -11.109 4.666 -3.772 1.00 0.00 N ATOM 325 CA GLU A 22 -12.545 4.414 -3.778 1.00 0.00 C ATOM 326 C GLU A 22 -12.854 3.081 -4.451 1.00 0.00 C ATOM 327 O GLU A 22 -12.708 2.938 -5.665 1.00 0.00 O ATOM 328 CB GLU A 22 -13.288 5.549 -4.486 1.00 0.00 C ATOM 329 CG GLU A 22 -12.912 5.709 -5.950 1.00 0.00 C ATOM 330 CD GLU A 22 -13.368 7.035 -6.526 1.00 0.00 C ATOM 331 OE1 GLU A 22 -12.773 8.074 -6.167 1.00 0.00 O ATOM 332 OE2 GLU A 22 -14.319 7.036 -7.335 1.00 0.00 O ATOM 0 H GLU A 22 -10.729 4.980 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.886 4.368 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.361 5.369 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.086 6.484 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.830 5.624 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.353 4.896 -6.526 1.00 0.00 H new ATOM 339 N CYS A 23 -13.274 2.106 -3.651 1.00 0.00 N ATOM 340 CA CYS A 23 -13.599 0.781 -4.166 1.00 0.00 C ATOM 341 C CYS A 23 -15.108 0.576 -4.231 1.00 0.00 C ATOM 342 O CYS A 23 -15.857 1.147 -3.439 1.00 0.00 O ATOM 343 CB CYS A 23 -12.964 -0.302 -3.289 1.00 0.00 C ATOM 344 SG CYS A 23 -11.262 0.050 -2.789 1.00 0.00 S ATOM 0 H CYS A 23 -13.397 2.209 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.196 0.704 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.573 -0.433 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.983 -1.248 -3.829 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.229 1.158 -2.111 1.00 0.00 H new ATOM 350 N GLY A 24 -15.547 -0.246 -5.178 1.00 0.00 N ATOM 351 CA GLY A 24 -16.966 -0.514 -5.327 1.00 0.00 C ATOM 352 C GLY A 24 -17.419 -1.711 -4.516 1.00 0.00 C ATOM 353 O GLY A 24 -16.597 -2.460 -3.989 1.00 0.00 O ATOM 0 H GLY A 24 -14.947 -0.731 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.533 0.365 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.191 -0.686 -6.379 1.00 0.00 H new ATOM 357 N ASN A 25 -18.732 -1.891 -4.416 1.00 0.00 N ATOM 358 CA ASN A 25 -19.295 -3.009 -3.663 1.00 0.00 C ATOM 359 C ASN A 25 -19.909 -4.042 -4.602 1.00 0.00 C ATOM 360 O ASN A 25 -19.956 -5.231 -4.288 1.00 0.00 O ATOM 361 CB ASN A 25 -20.352 -2.523 -2.657 1.00 0.00 C ATOM 362 CG ASN A 25 -20.713 -1.060 -2.830 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.390 -0.224 -1.986 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.386 -0.744 -3.929 1.00 0.00 N ATOM 0 H ASN A 25 -19.426 -1.279 -4.846 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.480 -3.477 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.252 -3.128 -2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.981 -2.682 -1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.656 0.224 -4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.633 -1.469 -4.602 1.00 0.00 H new ATOM 433 N VAL A 31 -17.196 3.340 -3.100 1.00 0.00 N ATOM 434 CA VAL A 31 -17.064 3.769 -1.712 1.00 0.00 C ATOM 435 C VAL A 31 -15.630 4.170 -1.383 1.00 0.00 C ATOM 436 O VAL A 31 -14.703 3.373 -1.525 1.00 0.00 O ATOM 437 CB VAL A 31 -17.501 2.656 -0.740 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.688 3.214 0.662 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.776 1.984 -1.230 1.00 0.00 C ATOM 0 HA VAL A 31 -17.715 4.635 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.714 1.903 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.997 2.413 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.748 3.640 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.454 3.989 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.067 1.201 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.574 2.724 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.602 1.545 -2.212 1.00 0.00 H new ATOM 449 N GLU A 32 -15.455 5.411 -0.937 1.00 0.00 N ATOM 450 CA GLU A 32 -14.143 5.920 -0.581 1.00 0.00 C ATOM 451 C GLU A 32 -13.651 5.293 0.720 1.00 0.00 C ATOM 452 O GLU A 32 -14.360 5.292 1.726 1.00 0.00 O ATOM 453 CB GLU A 32 -14.198 7.439 -0.438 1.00 0.00 C ATOM 454 CG GLU A 32 -12.874 8.115 -0.722 1.00 0.00 C ATOM 455 CD GLU A 32 -12.973 9.628 -0.712 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.817 10.173 -1.453 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.206 10.268 0.038 1.00 0.00 O ATOM 0 H GLU A 32 -16.213 6.082 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.444 5.656 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.953 7.834 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.517 7.691 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.143 7.798 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.504 7.786 -1.693 1.00 0.00 H new ATOM 464 N SER A 33 -12.434 4.762 0.694 1.00 0.00 N ATOM 465 CA SER A 33 -11.850 4.134 1.873 1.00 0.00 C ATOM 466 C SER A 33 -10.375 4.496 2.005 1.00 0.00 C ATOM 467 O SER A 33 -9.774 5.041 1.080 1.00 0.00 O ATOM 468 CB SER A 33 -12.010 2.615 1.803 1.00 0.00 C ATOM 469 OG SER A 33 -13.072 2.254 0.938 1.00 0.00 O ATOM 0 H SER A 33 -11.833 4.754 -0.130 1.00 0.00 H new ATOM 0 HA SER A 33 -12.378 4.506 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.082 2.164 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.199 2.220 2.801 1.00 0.00 H new ATOM 0 HG SER A 33 -12.961 1.322 0.655 1.00 0.00 H new ATOM 475 N THR A 34 -9.798 4.192 3.162 1.00 0.00 N ATOM 476 CA THR A 34 -8.394 4.488 3.414 1.00 0.00 C ATOM 477 C THR A 34 -7.785 3.470 4.374 1.00 0.00 C ATOM 478 O THR A 34 -8.469 2.943 5.251 1.00 0.00 O ATOM 479 CB THR A 34 -8.246 5.900 3.984 1.00 0.00 C ATOM 480 OG1 THR A 34 -8.883 6.001 5.245 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.829 6.971 3.086 1.00 0.00 C ATOM 0 H THR A 34 -10.281 3.741 3.939 1.00 0.00 H new ATOM 0 HA THR A 34 -7.859 4.428 2.466 1.00 0.00 H new ATOM 0 HB THR A 34 -7.172 6.066 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.776 6.911 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.691 7.948 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.323 6.952 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.893 6.785 2.941 1.00 0.00 H new ATOM 489 N LEU A 35 -6.496 3.199 4.199 1.00 0.00 N ATOM 490 CA LEU A 35 -5.792 2.244 5.047 1.00 0.00 C ATOM 491 C LEU A 35 -4.456 2.810 5.512 1.00 0.00 C ATOM 492 O LEU A 35 -3.729 3.430 4.736 1.00 0.00 O ATOM 493 CB LEU A 35 -5.566 0.932 4.293 1.00 0.00 C ATOM 494 CG LEU A 35 -5.185 -0.263 5.171 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.329 -1.263 5.243 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.923 -0.932 4.646 1.00 0.00 C ATOM 0 H LEU A 35 -5.917 3.628 3.477 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.410 2.051 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.475 0.685 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.779 1.086 3.554 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.987 0.103 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.038 -2.104 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.209 -0.780 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.562 -1.622 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.668 -1.779 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.093 -1.282 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.102 -0.215 4.650 1.00 0.00 H new ATOM 508 N ASP A 36 -4.135 2.588 6.782 1.00 0.00 N ATOM 509 CA ASP A 36 -2.884 3.070 7.349 1.00 0.00 C ATOM 510 C ASP A 36 -1.817 1.986 7.294 1.00 0.00 C ATOM 511 O ASP A 36 -2.010 0.882 7.794 1.00 0.00 O ATOM 512 CB ASP A 36 -3.096 3.529 8.793 1.00 0.00 C ATOM 513 CG ASP A 36 -2.375 4.827 9.098 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.214 4.978 8.664 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.972 5.694 9.772 1.00 0.00 O ATOM 0 H ASP A 36 -4.726 2.077 7.438 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.545 3.920 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.163 3.657 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.745 2.753 9.473 1.00 0.00 H new ATOM 520 N LEU A 37 -0.697 2.306 6.670 1.00 0.00 N ATOM 521 CA LEU A 37 0.407 1.364 6.547 1.00 0.00 C ATOM 522 C LEU A 37 1.337 1.467 7.742 1.00 0.00 C ATOM 523 O LEU A 37 1.995 0.498 8.119 1.00 0.00 O ATOM 524 CB LEU A 37 1.177 1.622 5.268 1.00 0.00 C ATOM 525 CG LEU A 37 0.317 2.084 4.103 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.020 3.191 3.355 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.013 0.910 3.200 1.00 0.00 C ATOM 0 H LEU A 37 -0.526 3.214 6.238 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.006 0.356 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.940 2.376 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.698 0.709 4.980 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.625 2.483 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.399 3.518 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.196 4.030 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.974 2.825 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.629 1.252 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.910 0.478 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.557 0.155 3.768 1.00 0.00 H new ATOM 539 N ASP A 38 1.382 2.655 8.339 1.00 0.00 N ATOM 540 CA ASP A 38 2.228 2.892 9.500 1.00 0.00 C ATOM 541 C ASP A 38 1.881 1.924 10.625 1.00 0.00 C ATOM 542 O ASP A 38 2.620 1.804 11.602 1.00 0.00 O ATOM 543 CB ASP A 38 2.077 4.335 9.984 1.00 0.00 C ATOM 544 CG ASP A 38 3.324 4.845 10.679 1.00 0.00 C ATOM 545 OD1 ASP A 38 3.665 4.310 11.755 1.00 0.00 O ATOM 546 OD2 ASP A 38 3.959 5.780 10.148 1.00 0.00 O ATOM 0 H ASP A 38 0.842 3.466 8.037 1.00 0.00 H new ATOM 0 HA ASP A 38 3.264 2.726 9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.849 4.978 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.231 4.399 10.668 1.00 0.00 H new ATOM 551 N TYR A 39 0.753 1.231 10.482 1.00 0.00 N ATOM 552 CA TYR A 39 0.325 0.272 11.495 1.00 0.00 C ATOM 553 C TYR A 39 0.006 -1.094 10.879 1.00 0.00 C ATOM 554 O TYR A 39 -0.397 -2.019 11.584 1.00 0.00 O ATOM 555 CB TYR A 39 -0.881 0.821 12.271 1.00 0.00 C ATOM 556 CG TYR A 39 -2.229 0.417 11.713 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.484 0.484 10.352 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.244 -0.027 12.550 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.714 0.121 9.836 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.477 -0.394 12.044 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.707 -0.318 10.687 1.00 0.00 C ATOM 562 OH TYR A 39 -5.933 -0.681 10.179 1.00 0.00 O ATOM 0 H TYR A 39 0.125 1.315 9.682 1.00 0.00 H new ATOM 0 HA TYR A 39 1.151 0.127 12.192 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.815 0.483 13.305 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.821 1.909 12.287 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.708 0.826 9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.067 -0.087 13.614 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.896 0.181 8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.256 -0.738 12.708 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.890 -1.602 9.847 1.00 0.00 H new ATOM 572 N TYR A 40 0.190 -1.218 9.565 1.00 0.00 N ATOM 573 CA TYR A 40 -0.076 -2.474 8.872 1.00 0.00 C ATOM 574 C TYR A 40 1.189 -3.020 8.211 1.00 0.00 C ATOM 575 O TYR A 40 1.301 -4.221 7.966 1.00 0.00 O ATOM 576 CB TYR A 40 -1.176 -2.280 7.825 1.00 0.00 C ATOM 577 CG TYR A 40 -2.533 -2.790 8.264 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.915 -2.750 9.600 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.431 -3.310 7.341 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.153 -3.213 10.003 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.671 -3.776 7.736 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.027 -3.725 9.067 1.00 0.00 C ATOM 583 OH TYR A 40 -6.261 -4.187 9.464 1.00 0.00 O ATOM 0 H TYR A 40 0.521 -0.465 8.962 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.412 -3.201 9.612 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.256 -1.219 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.885 -2.791 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.233 -2.350 10.335 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.156 -3.351 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.435 -3.174 11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.358 -4.178 7.006 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.755 -4.513 8.683 1.00 0.00 H new ATOM 593 N ILE A 41 2.141 -2.134 7.924 1.00 0.00 N ATOM 594 CA ILE A 41 3.394 -2.536 7.295 1.00 0.00 C ATOM 595 C ILE A 41 4.594 -2.079 8.121 1.00 0.00 C ATOM 596 O ILE A 41 4.581 -0.998 8.709 1.00 0.00 O ATOM 597 CB ILE A 41 3.514 -1.965 5.865 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.445 -2.577 4.961 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.903 -2.220 5.294 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.933 -1.623 3.906 1.00 0.00 C ATOM 0 H ILE A 41 2.067 -1.135 8.117 1.00 0.00 H new ATOM 0 HA ILE A 41 3.389 -3.625 7.242 1.00 0.00 H new ATOM 0 HB ILE A 41 3.359 -0.887 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.855 -3.461 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.609 -2.911 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.963 -1.809 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.650 -1.741 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.091 -3.293 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.177 -2.122 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.493 -0.750 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.759 -1.308 3.269 1.00 0.00 H new ATOM 612 N GLY A 42 5.631 -2.910 8.155 1.00 0.00 N ATOM 613 CA GLY A 42 6.826 -2.574 8.907 1.00 0.00 C ATOM 614 C GLY A 42 8.089 -2.729 8.083 1.00 0.00 C ATOM 615 O GLY A 42 8.035 -3.126 6.920 1.00 0.00 O ATOM 0 H GLY A 42 5.665 -3.810 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.751 -1.546 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.889 -3.213 9.788 1.00 0.00 H new ATOM 619 N ASN A 43 9.228 -2.413 8.689 1.00 0.00 N ATOM 620 CA ASN A 43 10.511 -2.519 8.004 1.00 0.00 C ATOM 621 C ASN A 43 11.270 -3.762 8.458 1.00 0.00 C ATOM 622 O ASN A 43 11.738 -3.836 9.594 1.00 0.00 O ATOM 623 CB ASN A 43 11.354 -1.268 8.260 1.00 0.00 C ATOM 624 CG ASN A 43 12.688 -1.308 7.538 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.125 -2.360 7.073 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.341 -0.157 7.439 1.00 0.00 N ATOM 0 H ASN A 43 9.289 -2.082 9.652 1.00 0.00 H new ATOM 0 HA ASN A 43 10.318 -2.605 6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.798 -0.387 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.527 -1.164 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.242 -0.121 6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.942 0.692 7.839 1.00 0.00 H new ATOM 633 N ASP A 44 11.391 -4.733 7.560 1.00 0.00 N ATOM 634 CA ASP A 44 12.097 -5.972 7.863 1.00 0.00 C ATOM 635 C ASP A 44 13.388 -6.070 7.057 1.00 0.00 C ATOM 636 O ASP A 44 13.374 -6.462 5.890 1.00 0.00 O ATOM 637 CB ASP A 44 11.205 -7.178 7.566 1.00 0.00 C ATOM 638 CG ASP A 44 11.847 -8.488 7.979 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.566 -8.502 9.000 1.00 0.00 O ATOM 640 OD2 ASP A 44 11.631 -9.501 7.280 1.00 0.00 O ATOM 0 H ASP A 44 11.009 -4.686 6.615 1.00 0.00 H new ATOM 0 HA ASP A 44 12.349 -5.969 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.255 -7.061 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.981 -7.207 6.500 1.00 0.00 H new ATOM 645 N ASP A 45 14.503 -5.711 7.685 1.00 0.00 N ATOM 646 CA ASP A 45 15.800 -5.758 7.022 1.00 0.00 C ATOM 647 C ASP A 45 15.821 -4.837 5.807 1.00 0.00 C ATOM 648 O ASP A 45 16.293 -5.214 4.734 1.00 0.00 O ATOM 649 CB ASP A 45 16.125 -7.191 6.595 1.00 0.00 C ATOM 650 CG ASP A 45 17.517 -7.319 6.009 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.494 -7.028 6.731 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.631 -7.711 4.829 1.00 0.00 O ATOM 0 H ASP A 45 14.534 -5.385 8.651 1.00 0.00 H new ATOM 0 HA ASP A 45 16.556 -5.416 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.034 -7.853 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.392 -7.523 5.859 1.00 0.00 H new ATOM 657 N GLY A 46 15.302 -3.626 5.982 1.00 0.00 N ATOM 658 CA GLY A 46 15.267 -2.670 4.891 1.00 0.00 C ATOM 659 C GLY A 46 14.296 -3.071 3.797 1.00 0.00 C ATOM 660 O GLY A 46 14.395 -2.593 2.667 1.00 0.00 O ATOM 0 H GLY A 46 14.905 -3.290 6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.987 -1.691 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.266 -2.571 4.467 1.00 0.00 H new ATOM 664 N SER A 47 13.356 -3.951 4.131 1.00 0.00 N ATOM 665 CA SER A 47 12.365 -4.413 3.167 1.00 0.00 C ATOM 666 C SER A 47 10.952 -4.260 3.723 1.00 0.00 C ATOM 667 O SER A 47 10.759 -4.172 4.936 1.00 0.00 O ATOM 668 CB SER A 47 12.628 -5.875 2.795 1.00 0.00 C ATOM 669 OG SER A 47 12.735 -6.033 1.391 1.00 0.00 O ATOM 0 H SER A 47 13.261 -4.358 5.062 1.00 0.00 H new ATOM 0 HA SER A 47 12.450 -3.798 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.546 -6.216 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.820 -6.501 3.174 1.00 0.00 H new ATOM 0 HG SER A 47 12.905 -6.975 1.180 1.00 0.00 H new ATOM 675 N PHE A 48 9.970 -4.229 2.829 1.00 0.00 N ATOM 676 CA PHE A 48 8.575 -4.087 3.230 1.00 0.00 C ATOM 677 C PHE A 48 8.018 -5.411 3.745 1.00 0.00 C ATOM 678 O PHE A 48 8.315 -6.474 3.201 1.00 0.00 O ATOM 679 CB PHE A 48 7.736 -3.590 2.053 1.00 0.00 C ATOM 680 CG PHE A 48 7.945 -2.136 1.737 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.898 -1.182 2.740 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.189 -1.723 0.436 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.089 0.156 2.454 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.381 -0.386 0.143 1.00 0.00 C ATOM 685 CZ PHE A 48 8.331 0.555 1.153 1.00 0.00 C ATOM 0 H PHE A 48 10.114 -4.300 1.822 1.00 0.00 H new ATOM 0 HA PHE A 48 8.526 -3.357 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.976 -4.183 1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.682 -3.758 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.710 -1.488 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.229 -2.454 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.049 0.889 3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.570 -0.077 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.481 1.600 0.927 1.00 0.00 H new ATOM 695 N SER A 49 7.210 -5.338 4.799 1.00 0.00 N ATOM 696 CA SER A 49 6.613 -6.532 5.388 1.00 0.00 C ATOM 697 C SER A 49 5.112 -6.351 5.590 1.00 0.00 C ATOM 698 O SER A 49 4.670 -5.368 6.184 1.00 0.00 O ATOM 699 CB SER A 49 7.284 -6.855 6.725 1.00 0.00 C ATOM 700 OG SER A 49 7.435 -8.253 6.896 1.00 0.00 O ATOM 0 H SER A 49 6.954 -4.466 5.262 1.00 0.00 H new ATOM 0 HA SER A 49 6.769 -7.362 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.260 -6.372 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.688 -6.448 7.542 1.00 0.00 H new ATOM 0 HG SER A 49 7.868 -8.432 7.757 1.00 0.00 H new ATOM 706 N TRP A 50 4.333 -7.308 5.094 1.00 0.00 N ATOM 707 CA TRP A 50 2.882 -7.254 5.224 1.00 0.00 C ATOM 708 C TRP A 50 2.449 -7.646 6.632 1.00 0.00 C ATOM 709 O TRP A 50 2.689 -8.769 7.077 1.00 0.00 O ATOM 710 CB TRP A 50 2.224 -8.180 4.199 1.00 0.00 C ATOM 711 CG TRP A 50 2.065 -7.553 2.847 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.613 -7.986 1.674 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.307 -6.381 2.528 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.242 -7.154 0.645 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.441 -6.161 1.144 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.528 -5.495 3.278 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.825 -5.094 0.496 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.083 -4.435 2.633 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.068 -4.243 1.254 1.00 0.00 C ATOM 0 H TRP A 50 4.682 -8.129 4.599 1.00 0.00 H new ATOM 0 HA TRP A 50 2.562 -6.229 5.036 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.821 -9.087 4.103 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.244 -8.482 4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.246 -8.855 1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.518 -7.259 -0.331 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.406 -5.636 4.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.941 -4.943 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.687 -3.744 3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.423 -3.406 0.779 1.00 0.00 H new ATOM 730 N GLY A 51 1.812 -6.713 7.330 1.00 0.00 N ATOM 731 CA GLY A 51 1.357 -6.979 8.682 1.00 0.00 C ATOM 732 C GLY A 51 2.241 -6.336 9.735 1.00 0.00 C ATOM 733 O GLY A 51 2.109 -6.626 10.924 1.00 0.00 O ATOM 0 H GLY A 51 1.602 -5.777 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.337 -6.612 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.328 -8.056 8.846 1.00 0.00 H new ATOM 737 N GLY A 52 3.142 -5.458 9.302 1.00 0.00 N ATOM 738 CA GLY A 52 4.031 -4.790 10.233 1.00 0.00 C ATOM 739 C GLY A 52 3.505 -3.434 10.659 1.00 0.00 C ATOM 740 O GLY A 52 2.294 -3.218 10.707 1.00 0.00 O ATOM 0 H GLY A 52 3.271 -5.198 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.168 -5.417 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.011 -4.668 9.772 1.00 0.00 H new ATOM 744 N GLU A 53 4.416 -2.517 10.970 1.00 0.00 N ATOM 745 CA GLU A 53 4.034 -1.176 11.394 1.00 0.00 C ATOM 746 C GLU A 53 5.265 -0.315 11.658 1.00 0.00 C ATOM 747 O GLU A 53 6.350 -0.831 11.924 1.00 0.00 O ATOM 748 CB GLU A 53 3.165 -1.243 12.651 1.00 0.00 C ATOM 749 CG GLU A 53 3.754 -2.108 13.753 1.00 0.00 C ATOM 750 CD GLU A 53 3.277 -1.698 15.132 1.00 0.00 C ATOM 751 OE1 GLU A 53 2.876 -0.527 15.298 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.305 -2.548 16.047 1.00 0.00 O ATOM 0 H GLU A 53 5.423 -2.679 10.936 1.00 0.00 H new ATOM 0 HA GLU A 53 3.460 -0.719 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.016 -0.233 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.182 -1.630 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.487 -3.150 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.842 -2.047 13.716 1.00 0.00 H new ATOM 759 N ASN A 54 5.086 1.000 11.581 1.00 0.00 N ATOM 760 CA ASN A 54 6.179 1.939 11.810 1.00 0.00 C ATOM 761 C ASN A 54 7.251 1.806 10.733 1.00 0.00 C ATOM 762 O ASN A 54 8.421 2.104 10.970 1.00 0.00 O ATOM 763 CB ASN A 54 6.796 1.714 13.191 1.00 0.00 C ATOM 764 CG ASN A 54 5.765 1.779 14.302 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.180 0.634 14.633 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.499 2.846 14.855 1.00 0.00 N flip ATOM 0 H ASN A 54 4.193 1.440 11.361 1.00 0.00 H new ATOM 0 HA ASN A 54 5.769 2.948 11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.288 0.742 13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.566 2.465 13.369 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.974 3.702 14.568 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.804 2.874 15.601 1.00 0.00 H new ATOM 773 N PHE A 55 6.845 1.361 9.547 1.00 0.00 N ATOM 774 CA PHE A 55 7.774 1.196 8.436 1.00 0.00 C ATOM 775 C PHE A 55 8.427 2.528 8.078 1.00 0.00 C ATOM 776 O PHE A 55 9.633 2.598 7.843 1.00 0.00 O ATOM 777 CB PHE A 55 7.049 0.610 7.219 1.00 0.00 C ATOM 778 CG PHE A 55 6.220 1.611 6.461 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.979 2.004 6.933 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.686 2.155 5.275 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.217 2.922 6.236 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.928 3.073 4.573 1.00 0.00 C ATOM 783 CZ PHE A 55 4.692 3.457 5.054 1.00 0.00 C ATOM 0 H PHE A 55 5.880 1.109 9.332 1.00 0.00 H new ATOM 0 HA PHE A 55 8.558 0.503 8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.787 0.178 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.404 -0.204 7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.603 1.588 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.652 1.858 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.251 3.221 6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.302 3.489 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.098 4.174 4.507 1.00 0.00 H new ATOM 793 N SER A 56 7.619 3.583 8.045 1.00 0.00 N ATOM 794 CA SER A 56 8.115 4.916 7.723 1.00 0.00 C ATOM 795 C SER A 56 9.107 5.400 8.777 1.00 0.00 C ATOM 796 O SER A 56 9.875 6.331 8.536 1.00 0.00 O ATOM 797 CB SER A 56 6.950 5.901 7.611 1.00 0.00 C ATOM 798 OG SER A 56 7.416 7.238 7.555 1.00 0.00 O ATOM 0 H SER A 56 6.618 3.540 8.237 1.00 0.00 H new ATOM 0 HA SER A 56 8.631 4.862 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.366 5.678 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.284 5.780 8.465 1.00 0.00 H new ATOM 0 HG SER A 56 6.652 7.848 7.482 1.00 0.00 H new ATOM 804 N GLY A 57 9.087 4.763 9.948 1.00 0.00 N ATOM 805 CA GLY A 57 9.992 5.145 11.019 1.00 0.00 C ATOM 806 C GLY A 57 11.424 5.298 10.545 1.00 0.00 C ATOM 807 O GLY A 57 12.124 6.225 10.952 1.00 0.00 O ATOM 0 H GLY A 57 8.460 3.990 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.655 6.085 11.456 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.953 4.394 11.808 1.00 0.00 H new ATOM 811 N SER A 58 11.856 4.390 9.676 1.00 0.00 N ATOM 812 CA SER A 58 13.211 4.434 9.140 1.00 0.00 C ATOM 813 C SER A 58 13.191 4.502 7.618 1.00 0.00 C ATOM 814 O SER A 58 14.085 3.978 6.953 1.00 0.00 O ATOM 815 CB SER A 58 14.009 3.209 9.588 1.00 0.00 C ATOM 816 OG SER A 58 15.273 3.586 10.107 1.00 0.00 O ATOM 0 H SER A 58 11.289 3.617 9.329 1.00 0.00 H new ATOM 0 HA SER A 58 13.692 5.333 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.449 2.664 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.146 2.532 8.745 1.00 0.00 H new ATOM 0 HG SER A 58 15.776 2.783 10.358 1.00 0.00 H new ATOM 822 N ALA A 59 12.169 5.148 7.071 1.00 0.00 N ATOM 823 CA ALA A 59 12.041 5.280 5.628 1.00 0.00 C ATOM 824 C ALA A 59 12.025 6.748 5.218 1.00 0.00 C ATOM 825 O ALA A 59 11.729 7.625 6.030 1.00 0.00 O ATOM 826 CB ALA A 59 10.783 4.575 5.142 1.00 0.00 C ATOM 0 H ALA A 59 11.419 5.587 7.605 1.00 0.00 H new ATOM 0 HA ALA A 59 12.906 4.808 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.701 4.682 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.837 3.517 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.909 5.020 5.618 1.00 0.00 H new ATOM 832 N SER A 60 12.349 7.011 3.958 1.00 0.00 N ATOM 833 CA SER A 60 12.374 8.376 3.446 1.00 0.00 C ATOM 834 C SER A 60 11.695 8.463 2.085 1.00 0.00 C ATOM 835 O SER A 60 11.699 7.502 1.316 1.00 0.00 O ATOM 836 CB SER A 60 13.816 8.877 3.343 1.00 0.00 C ATOM 837 OG SER A 60 14.439 8.904 4.615 1.00 0.00 O ATOM 0 H SER A 60 12.598 6.298 3.272 1.00 0.00 H new ATOM 0 HA SER A 60 11.825 9.008 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.381 8.231 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.827 9.876 2.908 1.00 0.00 H new ATOM 0 HG SER A 60 15.360 9.226 4.521 1.00 0.00 H new ATOM 843 N ASN A 61 11.115 9.628 1.796 1.00 0.00 N ATOM 844 CA ASN A 61 10.425 9.869 0.528 1.00 0.00 C ATOM 845 C ASN A 61 9.623 8.648 0.080 1.00 0.00 C ATOM 846 O ASN A 61 9.881 8.077 -0.980 1.00 0.00 O ATOM 847 CB ASN A 61 11.424 10.268 -0.562 1.00 0.00 C ATOM 848 CG ASN A 61 12.695 9.442 -0.523 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.743 9.914 -0.082 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.608 8.201 -0.986 1.00 0.00 N ATOM 0 H ASN A 61 11.110 10.427 2.430 1.00 0.00 H new ATOM 0 HA ASN A 61 9.726 10.690 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.953 10.157 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.677 11.322 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.430 7.598 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.719 7.851 -1.342 1.00 0.00 H new ATOM 857 N ILE A 62 8.648 8.257 0.893 1.00 0.00 N ATOM 858 CA ILE A 62 7.806 7.109 0.576 1.00 0.00 C ATOM 859 C ILE A 62 6.655 7.523 -0.332 1.00 0.00 C ATOM 860 O ILE A 62 5.843 8.374 0.030 1.00 0.00 O ATOM 861 CB ILE A 62 7.230 6.448 1.845 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.252 6.471 2.984 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.798 5.019 1.547 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.746 5.834 4.260 1.00 0.00 C ATOM 0 H ILE A 62 8.421 8.717 1.775 1.00 0.00 H new ATOM 0 HA ILE A 62 8.440 6.384 0.065 1.00 0.00 H new ATOM 0 HB ILE A 62 6.357 7.019 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.155 5.953 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.533 7.504 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.394 4.565 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.033 5.025 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.658 4.443 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.521 5.885 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.860 6.366 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.492 4.791 4.070 1.00 0.00 H new ATOM 876 N THR A 63 6.591 6.923 -1.515 1.00 0.00 N ATOM 877 CA THR A 63 5.539 7.242 -2.473 1.00 0.00 C ATOM 878 C THR A 63 5.081 5.998 -3.228 1.00 0.00 C ATOM 879 O THR A 63 5.809 5.010 -3.320 1.00 0.00 O ATOM 880 CB THR A 63 6.028 8.300 -3.464 1.00 0.00 C ATOM 881 OG1 THR A 63 7.430 8.209 -3.642 1.00 0.00 O ATOM 882 CG2 THR A 63 5.711 9.716 -3.032 1.00 0.00 C ATOM 0 H THR A 63 7.253 6.215 -1.833 1.00 0.00 H new ATOM 0 HA THR A 63 4.689 7.635 -1.916 1.00 0.00 H new ATOM 0 HB THR A 63 5.497 8.093 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.724 8.892 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.085 10.417 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.632 9.833 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.188 9.919 -2.073 1.00 0.00 H new ATOM 890 N LEU A 64 3.867 6.058 -3.767 1.00 0.00 N ATOM 891 CA LEU A 64 3.304 4.942 -4.517 1.00 0.00 C ATOM 892 C LEU A 64 3.286 5.247 -6.012 1.00 0.00 C ATOM 893 O LEU A 64 2.808 6.299 -6.435 1.00 0.00 O ATOM 894 CB LEU A 64 1.886 4.640 -4.028 1.00 0.00 C ATOM 895 CG LEU A 64 1.161 3.524 -4.788 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.109 2.250 -3.955 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.242 3.969 -5.177 1.00 0.00 C ATOM 0 H LEU A 64 3.254 6.870 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 64 3.933 4.067 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.932 4.370 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.292 5.551 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 64 1.720 3.311 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.590 1.471 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.123 1.921 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.576 2.445 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.743 3.165 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.809 4.212 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.180 4.850 -5.816 1.00 0.00 H new ATOM 909 N ASP A 65 3.813 4.321 -6.806 1.00 0.00 N ATOM 910 CA ASP A 65 3.859 4.491 -8.254 1.00 0.00 C ATOM 911 C ASP A 65 3.273 3.277 -8.967 1.00 0.00 C ATOM 912 O ASP A 65 3.279 2.168 -8.433 1.00 0.00 O ATOM 913 CB ASP A 65 5.300 4.720 -8.715 1.00 0.00 C ATOM 914 CG ASP A 65 5.824 6.087 -8.319 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.509 6.542 -7.199 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.548 6.703 -9.130 1.00 0.00 O ATOM 0 H ASP A 65 4.214 3.445 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 65 3.258 5.363 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.942 3.950 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.353 4.614 -9.798 1.00 0.00 H new ATOM 921 N ILE A 66 2.768 3.494 -10.178 1.00 0.00 N ATOM 922 CA ILE A 66 2.181 2.421 -10.967 1.00 0.00 C ATOM 923 C ILE A 66 3.260 1.670 -11.744 1.00 0.00 C ATOM 924 O ILE A 66 4.218 2.268 -12.232 1.00 0.00 O ATOM 925 CB ILE A 66 1.115 2.973 -11.944 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.212 3.187 -11.211 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.923 2.043 -13.135 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.919 1.900 -10.842 1.00 0.00 C ATOM 0 H ILE A 66 2.755 4.407 -10.633 1.00 0.00 H new ATOM 0 HA ILE A 66 1.696 1.728 -10.279 1.00 0.00 H new ATOM 0 HB ILE A 66 1.467 3.932 -12.324 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.027 3.762 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.871 3.786 -11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.168 2.458 -13.803 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.866 1.940 -13.672 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.597 1.064 -12.783 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.851 2.132 -10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.137 1.332 -11.747 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.279 1.308 -10.187 1.00 0.00 H new ATOM 940 N GLU A 67 3.094 0.356 -11.852 1.00 0.00 N ATOM 941 CA GLU A 67 4.052 -0.479 -12.568 1.00 0.00 C ATOM 942 C GLU A 67 3.354 -1.665 -13.225 1.00 0.00 C ATOM 943 O GLU A 67 2.473 -2.287 -12.631 1.00 0.00 O ATOM 944 CB GLU A 67 5.139 -0.977 -11.614 1.00 0.00 C ATOM 945 CG GLU A 67 6.360 -1.538 -12.323 1.00 0.00 C ATOM 946 CD GLU A 67 7.449 -0.501 -12.517 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.137 0.602 -13.014 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.614 -0.793 -12.173 1.00 0.00 O ATOM 0 H GLU A 67 2.306 -0.154 -11.453 1.00 0.00 H new ATOM 0 HA GLU A 67 4.513 0.127 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.449 -0.155 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.718 -1.747 -10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.758 -2.374 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.062 -1.933 -13.294 1.00 0.00 H new ATOM 955 N GLY A 68 3.753 -1.972 -14.455 1.00 0.00 N ATOM 956 CA GLY A 68 3.155 -3.083 -15.172 1.00 0.00 C ATOM 957 C GLY A 68 2.074 -2.636 -16.136 1.00 0.00 C ATOM 958 O GLY A 68 1.690 -1.467 -16.151 1.00 0.00 O ATOM 0 H GLY A 68 4.479 -1.472 -14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.930 -3.616 -15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.731 -3.787 -14.456 1.00 0.00 H new ATOM 962 N ASP A 69 1.584 -3.571 -16.944 1.00 0.00 N ATOM 963 CA ASP A 69 0.541 -3.269 -17.919 1.00 0.00 C ATOM 964 C ASP A 69 -0.842 -3.277 -17.269 1.00 0.00 C ATOM 965 O ASP A 69 -1.796 -2.725 -17.817 1.00 0.00 O ATOM 966 CB ASP A 69 0.582 -4.279 -19.067 1.00 0.00 C ATOM 967 CG ASP A 69 0.257 -3.648 -20.408 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.094 -2.411 -20.460 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.165 -4.392 -21.407 1.00 0.00 O ATOM 0 H ASP A 69 1.892 -4.543 -16.943 1.00 0.00 H new ATOM 0 HA ASP A 69 0.728 -2.270 -18.312 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.572 -4.732 -19.113 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.127 -5.082 -18.866 1.00 0.00 H new ATOM 974 N ASP A 70 -0.946 -3.907 -16.101 1.00 0.00 N ATOM 975 CA ASP A 70 -2.215 -3.983 -15.386 1.00 0.00 C ATOM 976 C ASP A 70 -2.394 -2.794 -14.441 1.00 0.00 C ATOM 977 O ASP A 70 -3.448 -2.638 -13.824 1.00 0.00 O ATOM 978 CB ASP A 70 -2.299 -5.292 -14.598 1.00 0.00 C ATOM 979 CG ASP A 70 -3.175 -6.323 -15.283 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.252 -6.303 -16.529 1.00 0.00 O ATOM 981 OD2 ASP A 70 -3.784 -7.151 -14.573 1.00 0.00 O ATOM 0 H ASP A 70 -0.168 -4.371 -15.632 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.017 -3.953 -16.124 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.297 -5.700 -14.468 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.692 -5.089 -13.602 1.00 0.00 H new ATOM 986 N ASN A 71 -1.362 -1.961 -14.327 1.00 0.00 N ATOM 987 CA ASN A 71 -1.415 -0.795 -13.453 1.00 0.00 C ATOM 988 C ASN A 71 -1.525 -1.220 -11.998 1.00 0.00 C ATOM 989 O ASN A 71 -2.598 -1.154 -11.397 1.00 0.00 O ATOM 990 CB ASN A 71 -2.592 0.108 -13.826 1.00 0.00 C ATOM 991 CG ASN A 71 -2.565 0.519 -15.285 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.969 1.535 -15.644 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.211 -0.270 -16.134 1.00 0.00 N ATOM 0 H ASN A 71 -0.481 -2.073 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.490 -0.233 -13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.526 -0.412 -13.615 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.575 1.000 -13.200 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.227 -0.044 -17.129 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.691 -1.102 -15.792 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.407 -1.660 -11.440 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.369 -2.103 -10.055 1.00 0.00 C ATOM 1002 C ILE A 72 0.296 -1.057 -9.162 1.00 0.00 C ATOM 1003 O ILE A 72 1.472 -0.739 -9.339 1.00 0.00 O ATOM 1004 CB ILE A 72 0.385 -3.439 -9.912 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.167 -4.320 -11.145 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.072 -4.160 -8.657 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.290 -4.619 -11.425 1.00 0.00 C ATOM 0 H ILE A 72 0.487 -1.720 -11.927 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.403 -2.243 -9.739 1.00 0.00 H new ATOM 0 HB ILE A 72 1.452 -3.229 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.602 -3.828 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.703 -5.260 -11.009 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.466 -5.103 -8.563 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.132 -3.538 -7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.142 -4.357 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.369 -5.247 -12.312 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.725 -5.140 -10.572 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.827 -3.686 -11.593 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.446 -0.505 -8.183 1.00 0.00 N ATOM 1020 CA PRO A 73 0.087 0.508 -7.266 1.00 0.00 C ATOM 1021 C PRO A 73 1.213 -0.038 -6.395 1.00 0.00 C ATOM 1022 O PRO A 73 0.968 -0.756 -5.425 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.121 0.890 -6.403 1.00 0.00 C ATOM 1024 CG PRO A 73 -2.054 -0.266 -6.513 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.856 -0.822 -7.893 1.00 0.00 C ATOM 0 HA PRO A 73 0.522 1.351 -7.803 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.827 1.063 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.587 1.808 -6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.837 -1.017 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.087 0.049 -6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.043 -1.895 -7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.530 -0.359 -8.614 1.00 0.00 H new ATOM 1033 N VAL A 74 2.448 0.303 -6.750 1.00 0.00 N ATOM 1034 CA VAL A 74 3.612 -0.157 -6.002 1.00 0.00 C ATOM 1035 C VAL A 74 4.187 0.954 -5.130 1.00 0.00 C ATOM 1036 O VAL A 74 4.411 2.071 -5.597 1.00 0.00 O ATOM 1037 CB VAL A 74 4.715 -0.678 -6.943 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.850 -1.302 -6.145 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.143 -1.676 -7.940 1.00 0.00 C ATOM 0 H VAL A 74 2.668 0.896 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 74 3.271 -0.973 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 74 5.117 0.168 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.619 -1.664 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.280 -0.555 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.466 -2.135 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.938 -2.032 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.711 -2.520 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.370 -1.192 -8.537 1.00 0.00 H new ATOM 1049 N LEU A 75 4.429 0.637 -3.862 1.00 0.00 N ATOM 1050 CA LEU A 75 4.985 1.604 -2.923 1.00 0.00 C ATOM 1051 C LEU A 75 6.497 1.441 -2.817 1.00 0.00 C ATOM 1052 O LEU A 75 6.989 0.401 -2.379 1.00 0.00 O ATOM 1053 CB LEU A 75 4.341 1.436 -1.545 1.00 0.00 C ATOM 1054 CG LEU A 75 4.896 2.350 -0.451 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.868 3.802 -0.903 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.105 2.175 0.838 1.00 0.00 C ATOM 0 H LEU A 75 4.248 -0.283 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 75 4.769 2.606 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.270 1.616 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.464 0.400 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 75 5.932 2.071 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.266 4.437 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.476 3.916 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.841 4.095 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.512 2.832 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.060 2.428 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.176 1.140 1.171 1.00 0.00 H new ATOM 1068 N ARG A 76 7.229 2.471 -3.227 1.00 0.00 N ATOM 1069 CA ARG A 76 8.687 2.438 -3.185 1.00 0.00 C ATOM 1070 C ARG A 76 9.235 3.464 -2.198 1.00 0.00 C ATOM 1071 O ARG A 76 8.806 4.618 -2.184 1.00 0.00 O ATOM 1072 CB ARG A 76 9.262 2.698 -4.579 1.00 0.00 C ATOM 1073 CG ARG A 76 9.293 1.464 -5.464 1.00 0.00 C ATOM 1074 CD ARG A 76 9.303 1.835 -6.939 1.00 0.00 C ATOM 1075 NE ARG A 76 7.966 1.778 -7.527 1.00 0.00 N ATOM 1076 CZ ARG A 76 7.734 1.737 -8.837 1.00 0.00 C ATOM 1077 NH1 ARG A 76 8.744 1.746 -9.698 1.00 0.00 N ATOM 1078 NH2 ARG A 76 6.488 1.687 -9.287 1.00 0.00 N ATOM 0 H ARG A 76 6.837 3.339 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 76 8.990 1.446 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.670 3.471 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.275 3.088 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.177 0.870 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.425 0.840 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.709 2.840 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.966 1.158 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 76 7.164 1.769 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.705 1.784 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.560 1.714 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.708 1.680 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.309 1.656 -10.291 1.00 0.00 H new ATOM 1092 N ALA A 77 10.189 3.036 -1.376 1.00 0.00 N ATOM 1093 CA ALA A 77 10.799 3.917 -0.388 1.00 0.00 C ATOM 1094 C ALA A 77 12.075 3.304 0.183 1.00 0.00 C ATOM 1095 O ALA A 77 12.169 2.089 0.354 1.00 0.00 O ATOM 1096 CB ALA A 77 9.811 4.222 0.728 1.00 0.00 C ATOM 0 H ALA A 77 10.556 2.084 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 77 11.067 4.849 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.280 4.881 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.930 4.711 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.514 3.293 1.215 1.00 0.00 H new ATOM 1102 N GLU A 78 13.053 4.154 0.481 1.00 0.00 N ATOM 1103 CA GLU A 78 14.322 3.695 1.038 1.00 0.00 C ATOM 1104 C GLU A 78 14.159 3.316 2.506 1.00 0.00 C ATOM 1105 O GLU A 78 13.902 4.171 3.352 1.00 0.00 O ATOM 1106 CB GLU A 78 15.389 4.783 0.895 1.00 0.00 C ATOM 1107 CG GLU A 78 15.907 4.944 -0.525 1.00 0.00 C ATOM 1108 CD GLU A 78 17.354 5.395 -0.569 1.00 0.00 C ATOM 1109 OE1 GLU A 78 17.604 6.604 -0.387 1.00 0.00 O ATOM 1110 OE2 GLU A 78 18.236 4.538 -0.787 1.00 0.00 O ATOM 0 H GLU A 78 12.992 5.163 0.346 1.00 0.00 H new ATOM 0 HA GLU A 78 14.639 2.812 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.974 5.733 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.225 4.549 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.809 3.996 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.288 5.669 -1.054 1.00 0.00 H new ATOM 1117 N LEU A 79 14.302 2.028 2.801 1.00 0.00 N ATOM 1118 CA LEU A 79 14.162 1.536 4.168 1.00 0.00 C ATOM 1119 C LEU A 79 15.521 1.316 4.824 1.00 0.00 C ATOM 1120 O LEU A 79 16.496 0.968 4.157 1.00 0.00 O ATOM 1121 CB LEU A 79 13.371 0.227 4.178 1.00 0.00 C ATOM 1122 CG LEU A 79 11.859 0.379 4.014 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.229 -0.955 3.642 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.238 0.930 5.289 1.00 0.00 C ATOM 0 H LEU A 79 14.515 1.306 2.113 1.00 0.00 H new ATOM 0 HA LEU A 79 13.625 2.293 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.745 -0.411 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.568 -0.291 5.117 1.00 0.00 H new ATOM 0 HG LEU A 79 11.667 1.086 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.152 -0.830 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.654 -1.309 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.429 -1.684 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.161 1.032 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.438 0.248 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.670 1.906 5.512 1.00 0.00 H new ATOM 1136 N ASN A 80 15.574 1.512 6.138 1.00 0.00 N ATOM 1137 CA ASN A 80 16.807 1.328 6.894 1.00 0.00 C ATOM 1138 C ASN A 80 16.861 -0.074 7.501 1.00 0.00 C ATOM 1139 O ASN A 80 16.127 -0.375 8.442 1.00 0.00 O ATOM 1140 CB ASN A 80 16.897 2.370 8.006 1.00 0.00 C ATOM 1141 CG ASN A 80 17.506 3.675 7.543 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.653 3.720 7.096 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.733 4.750 7.649 1.00 0.00 N ATOM 0 H ASN A 80 14.774 1.799 6.702 1.00 0.00 H new ATOM 0 HA ASN A 80 17.650 1.449 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.899 2.561 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.492 1.968 8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.083 5.661 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.789 4.664 8.026 1.00 0.00 H new ATOM 1150 N PRO A 81 17.731 -0.953 6.976 1.00 0.00 N ATOM 1151 CA PRO A 81 17.865 -2.319 7.482 1.00 0.00 C ATOM 1152 C PRO A 81 18.583 -2.366 8.825 1.00 0.00 C ATOM 1153 O PRO A 81 19.231 -1.401 9.230 1.00 0.00 O ATOM 1154 CB PRO A 81 18.696 -3.016 6.405 1.00 0.00 C ATOM 1155 CG PRO A 81 19.501 -1.926 5.788 1.00 0.00 C ATOM 1156 CD PRO A 81 18.650 -0.686 5.855 1.00 0.00 C ATOM 0 HA PRO A 81 16.897 -2.788 7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.336 -3.787 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.059 -3.505 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.439 -1.784 6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.757 -2.167 4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.253 0.204 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.108 -0.521 4.924 1.00 0.00 H new ATOM 1164 N MET A 82 18.461 -3.495 9.510 1.00 0.00 N ATOM 1165 CA MET A 82 19.097 -3.674 10.811 1.00 0.00 C ATOM 1166 C MET A 82 20.607 -3.841 10.666 1.00 0.00 C ATOM 1167 O MET A 82 21.360 -3.589 11.606 1.00 0.00 O ATOM 1168 CB MET A 82 18.505 -4.889 11.528 1.00 0.00 C ATOM 1169 CG MET A 82 18.575 -6.170 10.715 1.00 0.00 C ATOM 1170 SD MET A 82 18.809 -7.633 11.742 1.00 0.00 S ATOM 1171 CE MET A 82 19.075 -8.887 10.491 1.00 0.00 C ATOM 0 H MET A 82 17.927 -4.302 9.187 1.00 0.00 H new ATOM 0 HA MET A 82 18.906 -2.780 11.404 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.033 -5.037 12.470 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.464 -4.682 11.776 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.657 -6.280 10.137 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.395 -6.098 10.000 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.235 -9.852 10.972 1.00 0.00 H new ATOM 0 HE2 MET A 82 18.201 -8.945 9.843 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.951 -8.628 9.896 1.00 0.00 H new ATOM 1181 N ASP A 83 21.045 -4.266 9.484 1.00 0.00 N ATOM 1182 CA ASP A 83 22.465 -4.464 9.224 1.00 0.00 C ATOM 1183 C ASP A 83 23.167 -3.130 8.991 1.00 0.00 C ATOM 1184 O ASP A 83 24.289 -2.919 9.450 1.00 0.00 O ATOM 1185 CB ASP A 83 22.660 -5.379 8.012 1.00 0.00 C ATOM 1186 CG ASP A 83 23.156 -6.757 8.402 1.00 0.00 C ATOM 1187 OD1 ASP A 83 24.104 -6.840 9.211 1.00 0.00 O ATOM 1188 OD2 ASP A 83 22.597 -7.754 7.898 1.00 0.00 O ATOM 0 H ASP A 83 20.437 -4.479 8.693 1.00 0.00 H new ATOM 0 HA ASP A 83 22.908 -4.937 10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.716 -5.474 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.371 -4.921 7.325 1.00 0.00 H new ATOM 1193 N GLY A 84 22.498 -2.232 8.275 1.00 0.00 N ATOM 1194 CA GLY A 84 23.073 -0.930 7.994 1.00 0.00 C ATOM 1195 C GLY A 84 22.877 -0.509 6.551 1.00 0.00 C ATOM 1196 O GLY A 84 22.599 -1.340 5.688 1.00 0.00 O ATOM 0 H GLY A 84 21.568 -2.383 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.620 -0.187 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.139 -0.950 8.222 1.00 0.00 H new ATOM 1200 N ASP A 85 23.024 0.786 6.290 1.00 0.00 N ATOM 1201 CA ASP A 85 22.861 1.316 4.941 1.00 0.00 C ATOM 1202 C ASP A 85 21.445 1.059 4.424 1.00 0.00 C ATOM 1203 O ASP A 85 21.067 -0.087 4.180 1.00 0.00 O ATOM 1204 CB ASP A 85 23.886 0.684 3.996 1.00 0.00 C ATOM 1205 CG ASP A 85 24.967 1.661 3.578 1.00 0.00 C ATOM 1206 OD1 ASP A 85 25.963 1.796 4.319 1.00 0.00 O ATOM 1207 OD2 ASP A 85 24.816 2.292 2.511 1.00 0.00 O ATOM 0 H ASP A 85 23.255 1.487 6.994 1.00 0.00 H new ATOM 0 HA ASP A 85 23.026 2.393 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.346 -0.175 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.376 0.310 3.109 1.00 0.00 H new ATOM 1212 N PRO A 86 20.637 2.122 4.249 1.00 0.00 N ATOM 1213 CA PRO A 86 19.261 1.990 3.758 1.00 0.00 C ATOM 1214 C PRO A 86 19.208 1.499 2.315 1.00 0.00 C ATOM 1215 O PRO A 86 20.036 1.883 1.489 1.00 0.00 O ATOM 1216 CB PRO A 86 18.701 3.412 3.862 1.00 0.00 C ATOM 1217 CG PRO A 86 19.899 4.297 3.833 1.00 0.00 C ATOM 1218 CD PRO A 86 20.997 3.528 4.512 1.00 0.00 C ATOM 0 HA PRO A 86 18.694 1.256 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 86 18.026 3.633 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.132 3.547 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.174 4.548 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.703 5.236 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.976 3.776 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.036 3.740 5.580 1.00 0.00 H new ATOM 1226 N VAL A 87 18.230 0.649 2.019 1.00 0.00 N ATOM 1227 CA VAL A 87 18.072 0.107 0.675 1.00 0.00 C ATOM 1228 C VAL A 87 16.692 0.430 0.112 1.00 0.00 C ATOM 1229 O VAL A 87 15.707 0.484 0.848 1.00 0.00 O ATOM 1230 CB VAL A 87 18.283 -1.420 0.657 1.00 0.00 C ATOM 1231 CG1 VAL A 87 17.252 -2.116 1.532 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.231 -1.952 -0.768 1.00 0.00 C ATOM 0 H VAL A 87 17.536 0.321 2.691 1.00 0.00 H new ATOM 0 HA VAL A 87 18.833 0.576 0.051 1.00 0.00 H new ATOM 0 HB VAL A 87 19.271 -1.633 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 87 17.419 -3.193 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.346 -1.760 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.251 -1.895 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 87 18.382 -3.031 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.259 -1.725 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.015 -1.481 -1.361 1.00 0.00 H new ATOM 1242 N GLU A 88 16.628 0.644 -1.198 1.00 0.00 N ATOM 1243 CA GLU A 88 15.369 0.961 -1.859 1.00 0.00 C ATOM 1244 C GLU A 88 14.405 -0.218 -1.783 1.00 0.00 C ATOM 1245 O GLU A 88 14.652 -1.274 -2.365 1.00 0.00 O ATOM 1246 CB GLU A 88 15.616 1.343 -3.321 1.00 0.00 C ATOM 1247 CG GLU A 88 15.100 2.726 -3.683 1.00 0.00 C ATOM 1248 CD GLU A 88 15.779 3.299 -4.912 1.00 0.00 C ATOM 1249 OE1 GLU A 88 15.900 2.568 -5.917 1.00 0.00 O ATOM 1250 OE2 GLU A 88 16.188 4.478 -4.869 1.00 0.00 O ATOM 0 H GLU A 88 17.434 0.603 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 88 14.919 1.809 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.686 1.299 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.139 0.606 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.025 2.675 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.254 3.399 -2.840 1.00 0.00 H new ATOM 1257 N ALA A 89 13.305 -0.030 -1.062 1.00 0.00 N ATOM 1258 CA ALA A 89 12.302 -1.077 -0.911 1.00 0.00 C ATOM 1259 C ALA A 89 11.069 -0.773 -1.754 1.00 0.00 C ATOM 1260 O ALA A 89 10.665 0.382 -1.884 1.00 0.00 O ATOM 1261 CB ALA A 89 11.921 -1.236 0.554 1.00 0.00 C ATOM 0 H ALA A 89 13.086 0.838 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 89 12.730 -2.015 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.171 -2.021 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.805 -1.504 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.514 -0.297 0.928 1.00 0.00 H new ATOM 1267 N ASN A 90 10.476 -1.815 -2.326 1.00 0.00 N ATOM 1268 CA ASN A 90 9.289 -1.654 -3.157 1.00 0.00 C ATOM 1269 C ASN A 90 8.276 -2.762 -2.883 1.00 0.00 C ATOM 1270 O ASN A 90 8.583 -3.946 -3.024 1.00 0.00 O ATOM 1271 CB ASN A 90 9.674 -1.641 -4.642 1.00 0.00 C ATOM 1272 CG ASN A 90 10.012 -3.022 -5.177 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.336 -3.537 -6.067 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.063 -3.626 -4.636 1.00 0.00 N ATOM 0 H ASN A 90 10.797 -2.778 -2.230 1.00 0.00 H new ATOM 0 HA ASN A 90 8.826 -0.700 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.851 -1.224 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.531 -0.982 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.338 -4.554 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.595 -3.162 -3.900 1.00 0.00 H new ATOM 1281 N VAL A 91 7.068 -2.370 -2.493 1.00 0.00 N ATOM 1282 CA VAL A 91 6.013 -3.332 -2.202 1.00 0.00 C ATOM 1283 C VAL A 91 4.722 -2.966 -2.926 1.00 0.00 C ATOM 1284 O VAL A 91 4.284 -1.816 -2.891 1.00 0.00 O ATOM 1285 CB VAL A 91 5.735 -3.428 -0.689 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.218 -2.101 -0.151 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.750 -4.550 -0.396 1.00 0.00 C ATOM 0 H VAL A 91 6.796 -1.394 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 91 6.363 -4.301 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 91 6.673 -3.656 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.028 -2.191 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.962 -1.324 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.293 -1.837 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.566 -4.602 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.812 -4.355 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.165 -5.498 -0.739 1.00 0.00 H new ATOM 1297 N ASN A 92 4.118 -3.951 -3.578 1.00 0.00 N ATOM 1298 CA ASN A 92 2.878 -3.738 -4.307 1.00 0.00 C ATOM 1299 C ASN A 92 1.676 -3.929 -3.384 1.00 0.00 C ATOM 1300 O ASN A 92 1.349 -5.051 -3.001 1.00 0.00 O ATOM 1301 CB ASN A 92 2.810 -4.697 -5.502 1.00 0.00 C ATOM 1302 CG ASN A 92 1.394 -4.987 -5.959 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.517 -4.125 -5.891 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.166 -6.207 -6.428 1.00 0.00 N ATOM 0 H ASN A 92 4.469 -4.908 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 92 2.853 -2.714 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.372 -4.271 -6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.297 -5.635 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.233 -6.463 -6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.924 -6.889 -6.466 1.00 0.00 H new ATOM 1311 N LEU A 93 1.024 -2.825 -3.028 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.141 -2.872 -2.147 1.00 0.00 C ATOM 1313 C LEU A 93 -1.138 -3.929 -2.613 1.00 0.00 C ATOM 1314 O LEU A 93 -1.741 -4.630 -1.802 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.821 -1.502 -2.093 1.00 0.00 C ATOM 1316 CG LEU A 93 0.069 -0.356 -1.609 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.726 0.938 -1.526 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.684 -0.694 -0.260 1.00 0.00 C ATOM 0 H LEU A 93 1.282 -1.887 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 93 0.203 -3.140 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.192 -1.258 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.689 -1.570 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 93 0.875 -0.217 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.077 1.742 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.119 1.187 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.553 0.813 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.314 0.132 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.108 -0.860 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.288 -1.597 -0.351 1.00 0.00 H new ATOM 1330 N SER A 94 -1.297 -4.042 -3.928 1.00 0.00 N ATOM 1331 CA SER A 94 -2.213 -5.018 -4.511 1.00 0.00 C ATOM 1332 C SER A 94 -1.836 -6.445 -4.111 1.00 0.00 C ATOM 1333 O SER A 94 -2.614 -7.376 -4.304 1.00 0.00 O ATOM 1334 CB SER A 94 -2.225 -4.890 -6.035 1.00 0.00 C ATOM 1335 OG SER A 94 -2.352 -3.536 -6.433 1.00 0.00 O ATOM 0 H SER A 94 -0.803 -3.469 -4.612 1.00 0.00 H new ATOM 0 HA SER A 94 -3.211 -4.810 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.306 -5.308 -6.445 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.050 -5.472 -6.445 1.00 0.00 H new ATOM 0 HG SER A 94 -1.473 -3.103 -6.404 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.636 -6.617 -3.566 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.171 -7.935 -3.153 1.00 0.00 C ATOM 1343 C GLU A 95 -1.061 -8.518 -2.060 1.00 0.00 C ATOM 1344 O GLU A 95 -1.439 -9.689 -2.115 1.00 0.00 O ATOM 1345 CB GLU A 95 1.271 -7.859 -2.653 1.00 0.00 C ATOM 1346 CG GLU A 95 2.298 -7.742 -3.767 1.00 0.00 C ATOM 1347 CD GLU A 95 3.343 -8.840 -3.717 1.00 0.00 C ATOM 1348 OE1 GLU A 95 4.338 -8.679 -2.980 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.166 -9.860 -4.416 1.00 0.00 O ATOM 0 H GLU A 95 0.030 -5.862 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.218 -8.590 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.371 -7.002 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.489 -8.749 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.789 -7.774 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.792 -6.773 -3.700 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.384 -7.703 -1.060 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.218 -8.153 0.049 1.00 0.00 C ATOM 1358 C ARG A 96 -3.207 -7.075 0.482 1.00 0.00 C ATOM 1359 O ARG A 96 -3.476 -6.912 1.672 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.340 -8.551 1.237 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.430 -9.734 0.956 1.00 0.00 C ATOM 1362 CD ARG A 96 -1.003 -11.020 1.526 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.477 -11.309 2.858 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.645 -12.470 3.486 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.325 -13.453 2.909 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.131 -12.650 4.696 1.00 0.00 N ATOM 0 H ARG A 96 -1.082 -6.731 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.787 -9.017 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.730 -7.696 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.980 -8.790 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.291 -9.841 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.554 -9.549 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.089 -10.943 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.771 -11.848 0.857 1.00 0.00 H new ATOM 0 HE ARG A 96 0.050 -10.577 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.722 -13.321 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.450 -14.341 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.393 -11.898 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.260 -13.540 5.178 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.756 -6.345 -0.483 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.720 -5.296 -0.180 1.00 0.00 C ATOM 1382 C ILE A 97 -6.013 -5.517 -0.956 1.00 0.00 C ATOM 1383 O ILE A 97 -6.019 -5.501 -2.183 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.145 -3.901 -0.509 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.961 -3.590 0.410 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.218 -2.826 -0.377 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.350 -3.414 1.862 1.00 0.00 C ATOM 0 H ILE A 97 -3.551 -6.460 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.933 -5.340 0.888 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.798 -3.907 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.231 -4.396 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.470 -2.681 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.789 -1.852 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.034 -3.040 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.599 -2.816 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.461 -3.196 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.057 -2.589 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.814 -4.330 2.228 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.107 -5.720 -0.233 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.386 -5.946 -0.880 1.00 0.00 C ATOM 1401 C GLY A 98 -9.418 -4.893 -0.532 1.00 0.00 C ATOM 1402 O GLY A 98 -9.137 -3.959 0.219 1.00 0.00 O ATOM 0 H GLY A 98 -7.132 -5.732 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.243 -5.964 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.764 -6.927 -0.593 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.620 -5.050 -1.078 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.707 -4.112 -0.824 1.00 0.00 C ATOM 1408 C ASN A 99 -12.986 -4.857 -0.454 1.00 0.00 C ATOM 1409 O ASN A 99 -13.661 -5.417 -1.318 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.951 -3.235 -2.053 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.144 -4.051 -3.316 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.331 -4.918 -3.638 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.224 -3.778 -4.038 1.00 0.00 N ATOM 0 H ASN A 99 -10.866 -5.820 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.420 -3.476 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.833 -2.616 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.107 -2.558 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.407 -4.295 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.871 -3.051 -3.733 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.312 -4.863 0.835 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.508 -5.543 1.317 1.00 0.00 C ATOM 1422 C ASP A 100 -15.701 -4.593 1.350 1.00 0.00 C ATOM 1423 O ASP A 100 -15.699 -3.604 2.082 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.265 -6.121 2.712 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.413 -6.992 3.185 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.429 -8.192 2.840 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.297 -6.473 3.899 1.00 0.00 O ATOM 0 H ASP A 100 -12.765 -4.405 1.564 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.734 -6.356 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.347 -6.708 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.116 -5.305 3.419 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.718 -4.901 0.551 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.920 -4.076 0.486 1.00 0.00 C ATOM 1434 C CYS A 101 -17.568 -2.621 0.193 1.00 0.00 C ATOM 1435 O CYS A 101 -18.268 -1.704 0.621 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.700 -4.170 1.799 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.435 -3.679 1.663 1.00 0.00 S ATOM 0 H CYS A 101 -16.734 -5.717 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.543 -4.450 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.651 -5.195 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.213 -3.541 2.544 1.00 0.00 H new ATOM 0 HG CYS A 101 -21.011 -3.794 2.823 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.478 -2.419 -0.539 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.050 -1.074 -0.875 1.00 0.00 C ATOM 1445 C GLY A 102 -15.040 -0.519 0.111 1.00 0.00 C ATOM 1446 O GLY A 102 -14.363 0.468 -0.176 1.00 0.00 O ATOM 0 H GLY A 102 -15.883 -3.162 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.614 -1.074 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.920 -0.417 -0.907 1.00 0.00 H new ATOM 1450 N THR A 103 -14.935 -1.153 1.277 1.00 0.00 N ATOM 1451 CA THR A 103 -13.999 -0.711 2.305 1.00 0.00 C ATOM 1452 C THR A 103 -12.625 -1.338 2.094 1.00 0.00 C ATOM 1453 O THR A 103 -12.514 -2.476 1.639 1.00 0.00 O ATOM 1454 CB THR A 103 -14.528 -1.070 3.694 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.901 -0.740 3.809 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.791 -0.368 4.814 1.00 0.00 C ATOM 0 H THR A 103 -15.486 -1.973 1.532 1.00 0.00 H new ATOM 0 HA THR A 103 -13.900 0.372 2.230 1.00 0.00 H new ATOM 0 HB THR A 103 -14.371 -2.144 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.221 -0.979 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.216 -0.667 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.736 -0.642 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.889 0.711 4.694 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.580 -0.587 2.429 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.212 -1.067 2.276 1.00 0.00 C ATOM 1466 C LEU A 104 -9.881 -2.120 3.331 1.00 0.00 C ATOM 1467 O LEU A 104 -10.127 -1.920 4.521 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.227 0.102 2.374 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.477 0.429 1.082 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.539 -0.709 0.708 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.457 0.709 -0.047 1.00 0.00 C ATOM 0 H LEU A 104 -11.655 0.357 2.808 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.122 -1.528 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.772 0.990 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.498 -0.122 3.152 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.880 1.326 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.014 -0.459 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.815 -0.862 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.116 -1.622 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.906 0.940 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.081 -0.169 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.087 1.557 0.220 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.320 -3.240 2.887 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.953 -4.322 3.791 1.00 0.00 C ATOM 1485 C ILE A 105 -7.585 -4.895 3.434 1.00 0.00 C ATOM 1486 O ILE A 105 -6.987 -4.517 2.427 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.995 -5.456 3.764 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.139 -6.013 2.347 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.336 -4.955 4.280 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.341 -7.512 2.305 1.00 0.00 C ATOM 0 H ILE A 105 -9.110 -3.421 1.906 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.917 -3.897 4.794 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.653 -6.259 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.983 -5.527 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.248 -5.758 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.062 -5.768 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.222 -4.601 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.685 -4.137 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.435 -7.838 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.486 -8.007 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.248 -7.772 2.851 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.095 -5.808 4.267 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.798 -6.431 4.041 1.00 0.00 C ATOM 1504 C PHE A 106 -5.934 -7.952 3.983 1.00 0.00 C ATOM 1505 O PHE A 106 -6.669 -8.550 4.769 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.818 -6.019 5.144 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.686 -6.986 5.347 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.832 -8.065 6.200 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.482 -6.816 4.683 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.797 -8.960 6.391 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.443 -7.707 4.868 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.600 -8.781 5.724 1.00 0.00 C ATOM 0 H PHE A 106 -7.578 -6.132 5.105 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.409 -6.089 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.406 -5.039 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.365 -5.913 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.766 -8.210 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.355 -5.978 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.923 -9.798 7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.509 -7.565 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.789 -9.479 5.871 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.220 -8.568 3.047 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.260 -10.017 2.885 1.00 0.00 C ATOM 1524 C LEU A 107 -4.616 -10.716 4.078 1.00 0.00 C ATOM 1525 O LEU A 107 -3.392 -10.763 4.197 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.543 -10.422 1.596 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.424 -10.448 0.346 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.003 -9.068 0.073 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.629 -10.944 -0.854 1.00 0.00 C ATOM 0 H LEU A 107 -4.607 -8.087 2.389 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.304 -10.324 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.717 -9.732 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.108 -11.411 1.736 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.250 -11.137 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.627 -9.105 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.606 -8.752 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.191 -8.357 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.270 -10.957 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.783 -10.279 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.263 -11.952 -0.657 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.450 -11.258 4.960 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.963 -11.956 6.144 1.00 0.00 C ATOM 1543 C ALA A 108 -5.468 -13.394 6.180 1.00 0.00 C ATOM 1544 O ALA A 108 -6.542 -13.628 6.773 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.385 -11.214 7.403 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.786 -14.274 5.615 1.00 0.00 O ATOM 0 H ALA A 108 -6.466 -11.227 4.877 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.874 -11.983 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.015 -11.746 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.970 -10.206 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.473 -11.158 7.445 1.00 0.00 H new