USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1073 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 64 HIS : no HD1:sc= -6.15! C(o=-11!,f=-16!) USER MOD Set 1.2: A 65 ASN : amide:sc= -5.29! C(o=-11!,f=-19!) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.231 X(o=-0.23,f=0.032) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0.00118 USER MOD Set 3.2: A 82 HIS : no HD1:sc= -0.848! C(o=0.2!,f=-9!) USER MOD Set 3.3: A 132 THR OG1 : rot 47:sc= 1.05 USER MOD Set 4.1: A 33 TYR OH : rot 180:sc= -0.802 USER MOD Set 4.2: A 38 LYS NZ :NH3+ -162:sc= -0.0117 (180deg=-0.224) USER MOD Set 5.1: A 27 MET CE :methyl -111:sc= -9.82! (180deg=-8.7!) USER MOD Set 5.2: A 31 ASN : amide:sc= -4.11! C(o=-14!,f=-21!) USER MOD Set 5.3: A 98 TYR OH : rot 48:sc= 0.083 USER MOD Single : A 1 ARG N :NH3+ 139:sc= -0.92 (180deg=-3.13!) USER MOD Single : A 4 GLN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 6 THR OG1 : rot -135:sc= -0.798 USER MOD Single : A 9 GLN :FLIP amide:sc= -1.27 F(o=-5.2!,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.017) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -0.435 F(o=-3.6!,f=-0.44) USER MOD Single : A 17 SER OG : rot 3:sc= 0.093 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.809 F(o=-2.5,f=-0.81) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0335 X(o=0.034,f=0.058) USER MOD Single : A 39 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -4.86! C(o=-9.7!,f=-4.9!) USER MOD Single : A 46 THR OG1 : rot 170:sc= -1.29 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.206 F(o=-0.85,f=-0.21) USER MOD Single : A 57 ASN : amide:sc= -6.36 X(o=-6.4,f=-6.2!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.389 F(o=-2,f=-0.39) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.31 K(o=-0.31,f=-1) USER MOD Single : A 70 ASN : amide:sc= -1.67 K(o=-1.7,f=-4!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -10.2! C(o=-12!,f=-10!) USER MOD Single : A 74 SER OG : rot -20:sc= -0.146 USER MOD Single : A 87 ASN : amide:sc= -7.68! C(o=-7.7!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 92 ASN : amide:sc= -2.17 K(o=-2.2,f=-2.8!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 113 ASN : amide:sc= 0.0608 K(o=0.061,f=-1.5!) USER MOD Single : A 119 SER OG : rot 30:sc= -1.17 USER MOD Single : A 122 TYR OH : rot 0:sc= -1.33 USER MOD Single : A 128 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.2!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0105 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.172 -9.769 0.275 1.00 25.42 N ATOM 2 CA ARG A 1 7.581 -9.964 -1.043 1.00 50.22 C ATOM 3 C ARG A 1 8.231 -11.143 -1.762 1.00 12.42 C ATOM 4 O ARG A 1 9.435 -11.378 -1.657 1.00 71.04 O ATOM 5 CB ARG A 1 7.731 -8.695 -1.885 1.00 11.53 C ATOM 6 CG ARG A 1 9.137 -8.481 -2.419 1.00 50.11 C ATOM 7 CD ARG A 1 10.063 -7.930 -1.345 1.00 70.51 C ATOM 8 NE ARG A 1 9.574 -6.670 -0.794 1.00 21.01 N ATOM 9 CZ ARG A 1 10.211 -5.983 0.148 1.00 30.33 C ATOM 10 NH1 ARG A 1 11.357 -6.433 0.640 1.00 75.23 N ATOM 11 NH2 ARG A 1 9.702 -4.843 0.598 1.00 21.43 N ATOM 0 H1 ARG A 1 8.298 -8.752 0.452 1.00 25.42 H new ATOM 0 H2 ARG A 1 7.544 -10.171 1.000 1.00 25.42 H new ATOM 0 H3 ARG A 1 9.096 -10.245 0.315 1.00 25.42 H new ATOM 0 HA ARG A 1 6.521 -10.181 -0.910 1.00 50.22 H new ATOM 0 HB2 ARG A 1 7.036 -8.741 -2.724 1.00 11.53 H new ATOM 0 HB3 ARG A 1 7.446 -7.833 -1.282 1.00 11.53 H new ATOM 0 HG2 ARG A 1 9.533 -9.425 -2.793 1.00 50.11 H new ATOM 0 HG3 ARG A 1 9.106 -7.792 -3.263 1.00 50.11 H new ATOM 0 HD2 ARG A 1 10.163 -8.661 -0.543 1.00 70.51 H new ATOM 0 HD3 ARG A 1 11.057 -7.780 -1.766 1.00 70.51 H new ATOM 0 HE ARG A 1 8.695 -6.296 -1.152 1.00 21.01 H new ATOM 0 HH11 ARG A 1 11.751 -7.308 0.295 1.00 75.23 H new ATOM 0 HH12 ARG A 1 11.844 -5.904 1.363 1.00 75.23 H new ATOM 0 HH21 ARG A 1 8.821 -4.494 0.221 1.00 21.43 H new ATOM 0 HH22 ARG A 1 10.192 -4.316 1.321 1.00 21.43 H new ATOM 25 N PRO A 2 7.416 -11.903 -2.508 1.00 23.43 N ATOM 26 CA PRO A 2 7.890 -13.070 -3.258 1.00 74.11 C ATOM 27 C PRO A 2 8.771 -12.681 -4.440 1.00 72.40 C ATOM 28 O PRO A 2 8.874 -11.512 -4.810 1.00 4.52 O ATOM 29 CB PRO A 2 6.596 -13.725 -3.749 1.00 33.13 C ATOM 30 CG PRO A 2 5.605 -12.615 -3.799 1.00 51.12 C ATOM 31 CD PRO A 2 5.970 -11.682 -2.678 1.00 42.32 C ATOM 0 HA PRO A 2 8.510 -13.724 -2.645 1.00 74.11 H new ATOM 0 HB2 PRO A 2 6.730 -14.180 -4.730 1.00 33.13 H new ATOM 0 HB3 PRO A 2 6.271 -14.516 -3.073 1.00 33.13 H new ATOM 0 HG2 PRO A 2 5.641 -12.103 -4.760 1.00 51.12 H new ATOM 0 HG3 PRO A 2 4.590 -12.993 -3.677 1.00 51.12 H new ATOM 0 HD2 PRO A 2 5.749 -10.645 -2.930 1.00 42.32 H new ATOM 0 HD3 PRO A 2 5.418 -11.913 -1.767 1.00 42.32 H new ATOM 39 N PRO A 3 9.422 -13.684 -5.049 1.00 51.34 N ATOM 40 CA PRO A 3 10.305 -13.471 -6.199 1.00 74.43 C ATOM 41 C PRO A 3 9.536 -13.076 -7.456 1.00 61.03 C ATOM 42 O PRO A 3 10.122 -12.610 -8.432 1.00 71.24 O ATOM 43 CB PRO A 3 10.975 -14.833 -6.389 1.00 42.02 C ATOM 44 CG PRO A 3 10.016 -15.812 -5.806 1.00 23.35 C ATOM 45 CD PRO A 3 9.345 -15.102 -4.663 1.00 11.24 C ATOM 0 HA PRO A 3 11.007 -12.655 -6.027 1.00 74.43 H new ATOM 0 HB2 PRO A 3 11.160 -15.040 -7.443 1.00 42.02 H new ATOM 0 HB3 PRO A 3 11.939 -14.874 -5.882 1.00 42.02 H new ATOM 0 HG2 PRO A 3 9.286 -16.133 -6.549 1.00 23.35 H new ATOM 0 HG3 PRO A 3 10.533 -16.707 -5.460 1.00 23.35 H new ATOM 0 HD2 PRO A 3 8.313 -15.429 -4.538 1.00 11.24 H new ATOM 0 HD3 PRO A 3 9.856 -15.289 -3.718 1.00 11.24 H new ATOM 53 N GLN A 4 8.220 -13.266 -7.423 1.00 43.24 N ATOM 54 CA GLN A 4 7.372 -12.930 -8.560 1.00 50.14 C ATOM 55 C GLN A 4 7.235 -11.418 -8.709 1.00 63.54 C ATOM 56 O GLN A 4 7.224 -10.892 -9.822 1.00 3.11 O ATOM 57 CB GLN A 4 5.990 -13.566 -8.398 1.00 2.32 C ATOM 58 CG GLN A 4 6.013 -15.085 -8.429 1.00 55.11 C ATOM 59 CD GLN A 4 4.744 -15.699 -7.869 1.00 54.54 C ATOM 60 OE1 GLN A 4 3.992 -16.361 -8.586 1.00 3.42 O ATOM 61 NE2 GLN A 4 4.499 -15.482 -6.582 1.00 53.41 N ATOM 0 H GLN A 4 7.719 -13.650 -6.622 1.00 43.24 H new ATOM 0 HA GLN A 4 7.842 -13.324 -9.461 1.00 50.14 H new ATOM 0 HB2 GLN A 4 5.556 -13.237 -7.454 1.00 2.32 H new ATOM 0 HB3 GLN A 4 5.337 -13.204 -9.192 1.00 2.32 H new ATOM 0 HG2 GLN A 4 6.153 -15.422 -9.456 1.00 55.11 H new ATOM 0 HG3 GLN A 4 6.869 -15.444 -7.857 1.00 55.11 H new ATOM 0 HE21 GLN A 4 5.150 -14.927 -6.025 1.00 53.41 H new ATOM 0 HE22 GLN A 4 3.660 -15.870 -6.150 1.00 53.41 H new ATOM 70 N PHE A 5 7.131 -10.724 -7.581 1.00 34.51 N ATOM 71 CA PHE A 5 6.993 -9.273 -7.586 1.00 13.24 C ATOM 72 C PHE A 5 8.130 -8.616 -6.809 1.00 52.32 C ATOM 73 O PHE A 5 8.675 -9.198 -5.870 1.00 74.44 O ATOM 74 CB PHE A 5 5.646 -8.865 -6.983 1.00 45.01 C ATOM 75 CG PHE A 5 4.511 -9.758 -7.394 1.00 54.54 C ATOM 76 CD1 PHE A 5 4.022 -9.725 -8.691 1.00 51.21 C ATOM 77 CD2 PHE A 5 3.931 -10.627 -6.485 1.00 65.33 C ATOM 78 CE1 PHE A 5 2.976 -10.544 -9.072 1.00 21.32 C ATOM 79 CE2 PHE A 5 2.886 -11.450 -6.861 1.00 33.12 C ATOM 80 CZ PHE A 5 2.408 -11.408 -8.156 1.00 72.24 C ATOM 0 H PHE A 5 7.140 -11.143 -6.651 1.00 34.51 H new ATOM 0 HA PHE A 5 7.038 -8.932 -8.620 1.00 13.24 H new ATOM 0 HB2 PHE A 5 5.727 -8.870 -5.896 1.00 45.01 H new ATOM 0 HB3 PHE A 5 5.419 -7.841 -7.281 1.00 45.01 H new ATOM 0 HD1 PHE A 5 4.463 -9.052 -9.411 1.00 51.21 H new ATOM 0 HD2 PHE A 5 4.299 -10.662 -5.470 1.00 65.33 H new ATOM 0 HE1 PHE A 5 2.603 -10.509 -10.085 1.00 21.32 H new ATOM 0 HE2 PHE A 5 2.444 -12.125 -6.143 1.00 33.12 H new ATOM 0 HZ PHE A 5 1.591 -12.050 -8.452 1.00 72.24 H new ATOM 90 N THR A 6 8.485 -7.399 -7.208 1.00 50.42 N ATOM 91 CA THR A 6 9.559 -6.662 -6.553 1.00 15.45 C ATOM 92 C THR A 6 9.081 -6.043 -5.244 1.00 31.25 C ATOM 93 O THR A 6 7.955 -6.283 -4.807 1.00 40.13 O ATOM 94 CB THR A 6 10.112 -5.548 -7.462 1.00 12.24 C ATOM 95 OG1 THR A 6 9.078 -5.059 -8.323 1.00 72.01 O ATOM 96 CG2 THR A 6 11.275 -6.061 -8.298 1.00 10.25 C ATOM 0 H THR A 6 8.044 -6.902 -7.982 1.00 50.42 H new ATOM 0 HA THR A 6 10.353 -7.379 -6.345 1.00 15.45 H new ATOM 0 HB THR A 6 10.470 -4.736 -6.829 1.00 12.24 H new ATOM 0 HG1 THR A 6 9.424 -4.978 -9.236 1.00 72.01 H new ATOM 0 HG21 THR A 6 11.650 -5.257 -8.932 1.00 10.25 H new ATOM 0 HG22 THR A 6 12.072 -6.405 -7.639 1.00 10.25 H new ATOM 0 HG23 THR A 6 10.937 -6.888 -8.922 1.00 10.25 H new ATOM 104 N ARG A 7 9.944 -5.246 -4.622 1.00 62.42 N ATOM 105 CA ARG A 7 9.609 -4.594 -3.362 1.00 43.41 C ATOM 106 C ARG A 7 8.628 -3.448 -3.587 1.00 14.10 C ATOM 107 O ARG A 7 7.774 -3.174 -2.744 1.00 22.45 O ATOM 108 CB ARG A 7 10.876 -4.069 -2.683 1.00 42.42 C ATOM 109 CG ARG A 7 11.958 -5.123 -2.513 1.00 72.20 C ATOM 110 CD ARG A 7 13.258 -4.513 -2.013 1.00 11.21 C ATOM 111 NE ARG A 7 13.147 -4.042 -0.635 1.00 14.00 N ATOM 112 CZ ARG A 7 14.189 -3.676 0.103 1.00 72.02 C ATOM 113 NH1 ARG A 7 15.413 -3.726 -0.402 1.00 64.24 N ATOM 114 NH2 ARG A 7 14.007 -3.258 1.349 1.00 75.21 N ATOM 0 H ARG A 7 10.880 -5.037 -4.970 1.00 62.42 H new ATOM 0 HA ARG A 7 9.136 -5.332 -2.714 1.00 43.41 H new ATOM 0 HB2 ARG A 7 11.276 -3.242 -3.269 1.00 42.42 H new ATOM 0 HB3 ARG A 7 10.614 -3.669 -1.704 1.00 42.42 H new ATOM 0 HG2 ARG A 7 11.618 -5.884 -1.811 1.00 72.20 H new ATOM 0 HG3 ARG A 7 12.133 -5.623 -3.465 1.00 72.20 H new ATOM 0 HD2 ARG A 7 14.055 -5.253 -2.080 1.00 11.21 H new ATOM 0 HD3 ARG A 7 13.540 -3.681 -2.659 1.00 11.21 H new ATOM 0 HE ARG A 7 12.218 -3.991 -0.216 1.00 14.00 H new ATOM 0 HH11 ARG A 7 15.557 -4.046 -1.360 1.00 64.24 H new ATOM 0 HH12 ARG A 7 16.211 -3.444 0.167 1.00 64.24 H new ATOM 0 HH21 ARG A 7 13.066 -3.217 1.741 1.00 75.21 H new ATOM 0 HH22 ARG A 7 14.808 -2.977 1.915 1.00 75.21 H new ATOM 128 N ALA A 8 8.757 -2.780 -4.729 1.00 24.32 N ATOM 129 CA ALA A 8 7.881 -1.665 -5.065 1.00 22.30 C ATOM 130 C ALA A 8 6.647 -2.145 -5.822 1.00 64.20 C ATOM 131 O ALA A 8 5.530 -2.076 -5.312 1.00 11.23 O ATOM 132 CB ALA A 8 8.636 -0.629 -5.884 1.00 42.02 C ATOM 0 H ALA A 8 9.460 -2.992 -5.437 1.00 24.32 H new ATOM 0 HA ALA A 8 7.548 -1.204 -4.135 1.00 22.30 H new ATOM 0 HB1 ALA A 8 7.969 0.198 -6.128 1.00 42.02 H new ATOM 0 HB2 ALA A 8 9.482 -0.255 -5.307 1.00 42.02 H new ATOM 0 HB3 ALA A 8 8.998 -1.087 -6.805 1.00 42.02 H new ATOM 138 N GLN A 9 6.859 -2.631 -7.041 1.00 15.51 N ATOM 139 CA GLN A 9 5.762 -3.120 -7.869 1.00 22.04 C ATOM 140 C GLN A 9 4.799 -3.970 -7.047 1.00 20.31 C ATOM 141 O GLN A 9 3.603 -4.024 -7.335 1.00 22.14 O ATOM 142 CB GLN A 9 6.306 -3.934 -9.043 1.00 21.31 C ATOM 143 CG GLN A 9 6.316 -5.434 -8.792 1.00 54.41 C ATOM 144 CD GLN A 9 5.097 -6.130 -9.366 1.00 13.24 C ATOM 145 OE1 GLN A 9 4.093 -6.354 -8.526 1.00 64.23 O flip ATOM 146 NE2 GLN A 9 5.058 -6.462 -10.550 1.00 73.11 N flip ATOM 0 H GLN A 9 7.779 -2.697 -7.477 1.00 15.51 H new ATOM 0 HA GLN A 9 5.218 -2.258 -8.256 1.00 22.04 H new ATOM 0 HB2 GLN A 9 5.704 -3.726 -9.928 1.00 21.31 H new ATOM 0 HB3 GLN A 9 7.321 -3.604 -9.263 1.00 21.31 H new ATOM 0 HG2 GLN A 9 7.216 -5.866 -9.230 1.00 54.41 H new ATOM 0 HG3 GLN A 9 6.363 -5.619 -7.719 1.00 54.41 H new ATOM 0 HE21 GLN A 9 5.853 -6.270 -11.160 1.00 73.11 H new ATOM 0 HE22 GLN A 9 4.231 -6.929 -10.922 1.00 73.11 H new ATOM 155 N TRP A 10 5.327 -4.634 -6.025 1.00 31.01 N ATOM 156 CA TRP A 10 4.513 -5.483 -5.163 1.00 23.32 C ATOM 157 C TRP A 10 3.769 -4.651 -4.125 1.00 50.21 C ATOM 158 O TRP A 10 2.657 -4.994 -3.720 1.00 44.32 O ATOM 159 CB TRP A 10 5.389 -6.525 -4.465 1.00 23.13 C ATOM 160 CG TRP A 10 4.602 -7.552 -3.708 1.00 53.41 C ATOM 161 CD1 TRP A 10 4.789 -7.935 -2.411 1.00 22.12 C ATOM 162 CD2 TRP A 10 3.505 -8.327 -4.203 1.00 51.11 C ATOM 163 NE1 TRP A 10 3.875 -8.902 -2.069 1.00 51.23 N ATOM 164 CE2 TRP A 10 3.075 -9.159 -3.151 1.00 21.41 C ATOM 165 CE3 TRP A 10 2.843 -8.397 -5.432 1.00 30.44 C ATOM 166 CZ2 TRP A 10 2.015 -10.050 -3.293 1.00 72.40 C ATOM 167 CZ3 TRP A 10 1.791 -9.282 -5.571 1.00 22.45 C ATOM 168 CH2 TRP A 10 1.384 -10.098 -4.507 1.00 64.30 C ATOM 0 H TRP A 10 6.315 -4.601 -5.773 1.00 31.01 H new ATOM 0 HA TRP A 10 3.779 -5.993 -5.787 1.00 23.32 H new ATOM 0 HB2 TRP A 10 6.007 -7.027 -5.209 1.00 23.13 H new ATOM 0 HB3 TRP A 10 6.067 -6.018 -3.778 1.00 23.13 H new ATOM 0 HD1 TRP A 10 5.545 -7.536 -1.751 1.00 22.12 H new ATOM 0 HE1 TRP A 10 3.804 -9.355 -1.158 1.00 51.23 H new ATOM 0 HE3 TRP A 10 3.148 -7.771 -6.258 1.00 30.44 H new ATOM 0 HZ2 TRP A 10 1.701 -10.681 -2.475 1.00 72.40 H new ATOM 0 HZ3 TRP A 10 1.273 -9.346 -6.517 1.00 22.45 H new ATOM 0 HH2 TRP A 10 0.557 -10.778 -4.647 1.00 64.30 H new ATOM 179 N PHE A 11 4.386 -3.554 -3.699 1.00 51.51 N ATOM 180 CA PHE A 11 3.782 -2.672 -2.707 1.00 73.11 C ATOM 181 C PHE A 11 2.445 -2.131 -3.204 1.00 75.54 C ATOM 182 O PHE A 11 1.429 -2.230 -2.517 1.00 54.32 O ATOM 183 CB PHE A 11 4.725 -1.512 -2.381 1.00 70.04 C ATOM 184 CG PHE A 11 4.015 -0.279 -1.902 1.00 32.04 C ATOM 185 CD1 PHE A 11 3.418 0.588 -2.803 1.00 1.12 C ATOM 186 CD2 PHE A 11 3.943 0.012 -0.549 1.00 52.42 C ATOM 187 CE1 PHE A 11 2.764 1.724 -2.363 1.00 45.31 C ATOM 188 CE2 PHE A 11 3.292 1.148 -0.104 1.00 33.35 C ATOM 189 CZ PHE A 11 2.700 2.004 -1.012 1.00 23.54 C ATOM 0 H PHE A 11 5.305 -3.254 -4.025 1.00 51.51 H new ATOM 0 HA PHE A 11 3.606 -3.252 -1.801 1.00 73.11 H new ATOM 0 HB2 PHE A 11 5.433 -1.834 -1.617 1.00 70.04 H new ATOM 0 HB3 PHE A 11 5.305 -1.265 -3.270 1.00 70.04 H new ATOM 0 HD1 PHE A 11 3.464 0.374 -3.861 1.00 1.12 H new ATOM 0 HD2 PHE A 11 4.400 -0.656 0.166 1.00 52.42 H new ATOM 0 HE1 PHE A 11 2.303 2.392 -3.076 1.00 45.31 H new ATOM 0 HE2 PHE A 11 3.247 1.366 0.953 1.00 33.35 H new ATOM 0 HZ PHE A 11 2.188 2.890 -0.666 1.00 23.54 H new ATOM 199 N ALA A 12 2.454 -1.559 -4.404 1.00 21.03 N ATOM 200 CA ALA A 12 1.243 -1.003 -4.994 1.00 73.41 C ATOM 201 C ALA A 12 0.191 -2.086 -5.212 1.00 3.21 C ATOM 202 O ALA A 12 -1.006 -1.802 -5.249 1.00 33.51 O ATOM 203 CB ALA A 12 1.567 -0.308 -6.309 1.00 23.14 C ATOM 0 H ALA A 12 3.287 -1.469 -4.986 1.00 21.03 H new ATOM 0 HA ALA A 12 0.834 -0.270 -4.299 1.00 73.41 H new ATOM 0 HB1 ALA A 12 0.653 0.102 -6.738 1.00 23.14 H new ATOM 0 HB2 ALA A 12 2.277 0.499 -6.129 1.00 23.14 H new ATOM 0 HB3 ALA A 12 2.003 -1.027 -7.003 1.00 23.14 H new ATOM 209 N ILE A 13 0.647 -3.326 -5.356 1.00 33.10 N ATOM 210 CA ILE A 13 -0.256 -4.450 -5.570 1.00 23.14 C ATOM 211 C ILE A 13 -1.140 -4.686 -4.349 1.00 41.41 C ATOM 212 O ILE A 13 -2.324 -4.992 -4.478 1.00 43.05 O ATOM 213 CB ILE A 13 0.520 -5.743 -5.884 1.00 24.31 C ATOM 214 CG1 ILE A 13 0.727 -5.885 -7.394 1.00 32.34 C ATOM 215 CG2 ILE A 13 -0.217 -6.952 -5.329 1.00 35.23 C ATOM 216 CD1 ILE A 13 -0.264 -6.819 -8.053 1.00 45.14 C ATOM 0 H ILE A 13 1.635 -3.577 -5.328 1.00 33.10 H new ATOM 0 HA ILE A 13 -0.882 -4.194 -6.425 1.00 23.14 H new ATOM 0 HB ILE A 13 1.498 -5.688 -5.405 1.00 24.31 H new ATOM 0 HG12 ILE A 13 0.651 -4.901 -7.857 1.00 32.34 H new ATOM 0 HG13 ILE A 13 1.737 -6.248 -7.582 1.00 32.34 H new ATOM 0 HG21 ILE A 13 0.344 -7.858 -5.559 1.00 35.23 H new ATOM 0 HG22 ILE A 13 -0.317 -6.852 -4.248 1.00 35.23 H new ATOM 0 HG23 ILE A 13 -1.207 -7.014 -5.781 1.00 35.23 H new ATOM 0 HD11 ILE A 13 -0.059 -6.872 -9.122 1.00 45.14 H new ATOM 0 HD12 ILE A 13 -0.173 -7.813 -7.616 1.00 45.14 H new ATOM 0 HD13 ILE A 13 -1.276 -6.445 -7.896 1.00 45.14 H new ATOM 228 N GLN A 14 -0.555 -4.537 -3.165 1.00 20.24 N ATOM 229 CA GLN A 14 -1.290 -4.733 -1.920 1.00 50.24 C ATOM 230 C GLN A 14 -1.623 -3.394 -1.270 1.00 35.32 C ATOM 231 O GLN A 14 -2.280 -3.345 -0.229 1.00 50.20 O ATOM 232 CB GLN A 14 -0.477 -5.595 -0.953 1.00 22.22 C ATOM 233 CG GLN A 14 0.630 -4.834 -0.242 1.00 55.45 C ATOM 234 CD GLN A 14 1.648 -5.752 0.405 1.00 13.03 C ATOM 235 OE1 GLN A 14 1.963 -5.613 1.587 1.00 71.21 O ATOM 236 NE2 GLN A 14 2.167 -6.699 -0.368 1.00 52.43 N ATOM 0 H GLN A 14 0.425 -4.281 -3.041 1.00 20.24 H new ATOM 0 HA GLN A 14 -2.223 -5.245 -2.154 1.00 50.24 H new ATOM 0 HB2 GLN A 14 -1.148 -6.023 -0.208 1.00 22.22 H new ATOM 0 HB3 GLN A 14 -0.039 -6.428 -1.503 1.00 22.22 H new ATOM 0 HG2 GLN A 14 1.135 -4.184 -0.956 1.00 55.45 H new ATOM 0 HG3 GLN A 14 0.191 -4.190 0.520 1.00 55.45 H new ATOM 0 HE21 GLN A 14 1.877 -6.778 -1.343 1.00 52.43 H new ATOM 0 HE22 GLN A 14 2.856 -7.348 0.013 1.00 52.43 H new ATOM 245 N HIS A 15 -1.168 -2.311 -1.890 1.00 11.40 N ATOM 246 CA HIS A 15 -1.418 -0.971 -1.370 1.00 71.13 C ATOM 247 C HIS A 15 -2.125 -0.108 -2.411 1.00 62.40 C ATOM 248 O HIS A 15 -2.560 1.005 -2.117 1.00 12.33 O ATOM 249 CB HIS A 15 -0.105 -0.310 -0.949 1.00 71.31 C ATOM 250 CG HIS A 15 0.429 -0.815 0.355 1.00 22.30 C ATOM 251 ND1 HIS A 15 1.598 -1.429 0.655 1.00 5.33 N flip ATOM 252 CD2 HIS A 15 -0.267 -0.717 1.541 1.00 11.40 C flip ATOM 253 CE1 HIS A 15 1.588 -1.685 2.004 1.00 13.12 C flip ATOM 254 NE2 HIS A 15 0.453 -1.246 2.516 1.00 64.31 N flip ATOM 0 H HIS A 15 -0.624 -2.334 -2.753 1.00 11.40 H new ATOM 0 HA HIS A 15 -2.065 -1.062 -0.498 1.00 71.13 H new ATOM 0 HB2 HIS A 15 0.641 -0.476 -1.726 1.00 71.31 H new ATOM 0 HB3 HIS A 15 -0.257 0.767 -0.877 1.00 71.31 H new ATOM 0 HD1 HIS A 15 2.346 -1.659 0.001 1.00 5.33 H new ATOM 0 HD2 HIS A 15 -1.247 -0.277 1.656 1.00 11.40 H new ATOM 0 HE1 HIS A 15 2.380 -2.167 2.557 1.00 13.12 H new ATOM 263 N ILE A 16 -2.235 -0.630 -3.628 1.00 51.45 N ATOM 264 CA ILE A 16 -2.889 0.093 -4.713 1.00 11.51 C ATOM 265 C ILE A 16 -3.734 -0.844 -5.567 1.00 70.52 C ATOM 266 O ILE A 16 -3.305 -1.947 -5.908 1.00 1.51 O ATOM 267 CB ILE A 16 -1.862 0.806 -5.614 1.00 13.41 C ATOM 268 CG1 ILE A 16 -1.662 2.251 -5.151 1.00 30.23 C ATOM 269 CG2 ILE A 16 -2.316 0.767 -7.065 1.00 64.02 C ATOM 270 CD1 ILE A 16 -0.491 2.940 -5.815 1.00 43.50 C ATOM 0 H ILE A 16 -1.880 -1.550 -3.888 1.00 51.45 H new ATOM 0 HA ILE A 16 -3.534 0.840 -4.251 1.00 11.51 H new ATOM 0 HB ILE A 16 -0.908 0.285 -5.538 1.00 13.41 H new ATOM 0 HG12 ILE A 16 -2.570 2.818 -5.354 1.00 30.23 H new ATOM 0 HG13 ILE A 16 -1.515 2.261 -4.071 1.00 30.23 H new ATOM 0 HG21 ILE A 16 -1.581 1.274 -7.690 1.00 64.02 H new ATOM 0 HG22 ILE A 16 -2.413 -0.269 -7.388 1.00 64.02 H new ATOM 0 HG23 ILE A 16 -3.279 1.268 -7.158 1.00 64.02 H new ATOM 0 HD11 ILE A 16 -0.409 3.960 -5.440 1.00 43.50 H new ATOM 0 HD12 ILE A 16 0.426 2.396 -5.591 1.00 43.50 H new ATOM 0 HD13 ILE A 16 -0.646 2.962 -6.894 1.00 43.50 H new ATOM 282 N SER A 17 -4.937 -0.399 -5.912 1.00 15.01 N ATOM 283 CA SER A 17 -5.845 -1.199 -6.726 1.00 42.02 C ATOM 284 C SER A 17 -7.002 -0.350 -7.245 1.00 50.44 C ATOM 285 O SER A 17 -7.921 -0.010 -6.499 1.00 41.01 O ATOM 286 CB SER A 17 -6.386 -2.378 -5.916 1.00 13.05 C ATOM 287 OG SER A 17 -7.490 -1.984 -5.119 1.00 21.44 O ATOM 0 H SER A 17 -5.306 0.512 -5.641 1.00 15.01 H new ATOM 0 HA SER A 17 -5.286 -1.581 -7.580 1.00 42.02 H new ATOM 0 HB2 SER A 17 -6.688 -3.179 -6.591 1.00 13.05 H new ATOM 0 HB3 SER A 17 -5.597 -2.778 -5.279 1.00 13.05 H new ATOM 0 HG SER A 17 -7.704 -1.045 -5.298 1.00 21.44 H new ATOM 293 N LEU A 18 -6.948 -0.010 -8.528 1.00 33.13 N ATOM 294 CA LEU A 18 -7.991 0.800 -9.149 1.00 31.42 C ATOM 295 C LEU A 18 -9.369 0.188 -8.912 1.00 70.33 C ATOM 296 O LEU A 18 -10.276 0.853 -8.416 1.00 13.24 O ATOM 297 CB LEU A 18 -7.733 0.936 -10.650 1.00 3.52 C ATOM 298 CG LEU A 18 -6.266 0.909 -11.084 1.00 2.40 C ATOM 299 CD1 LEU A 18 -6.135 1.299 -12.548 1.00 2.43 C ATOM 300 CD2 LEU A 18 -5.434 1.834 -10.207 1.00 40.33 C ATOM 0 H LEU A 18 -6.194 -0.282 -9.158 1.00 33.13 H new ATOM 0 HA LEU A 18 -7.969 1.789 -8.692 1.00 31.42 H new ATOM 0 HB2 LEU A 18 -8.258 0.130 -11.163 1.00 3.52 H new ATOM 0 HB3 LEU A 18 -8.175 1.872 -10.991 1.00 3.52 H new ATOM 0 HG LEU A 18 -5.890 -0.107 -10.965 1.00 2.40 H new ATOM 0 HD11 LEU A 18 -5.085 1.274 -12.839 1.00 2.43 H new ATOM 0 HD12 LEU A 18 -6.698 0.597 -13.163 1.00 2.43 H new ATOM 0 HD13 LEU A 18 -6.528 2.305 -12.693 1.00 2.43 H new ATOM 0 HD21 LEU A 18 -4.393 1.803 -10.530 1.00 40.33 H new ATOM 0 HD22 LEU A 18 -5.810 2.853 -10.294 1.00 40.33 H new ATOM 0 HD23 LEU A 18 -5.502 1.509 -9.169 1.00 40.33 H new ATOM 312 N ASN A 19 -9.515 -1.083 -9.271 1.00 23.14 N ATOM 313 CA ASN A 19 -10.781 -1.785 -9.096 1.00 35.13 C ATOM 314 C ASN A 19 -10.651 -2.891 -8.053 1.00 33.55 C ATOM 315 O ASN A 19 -10.491 -4.068 -8.377 1.00 32.10 O ATOM 316 CB ASN A 19 -11.248 -2.377 -10.427 1.00 54.30 C ATOM 317 CG ASN A 19 -10.091 -2.736 -11.338 1.00 4.40 C ATOM 318 OD1 ASN A 19 -9.465 -1.722 -11.926 1.00 73.13 O flip ATOM 319 ND2 ASN A 19 -9.762 -3.910 -11.510 1.00 60.43 N flip ATOM 0 H ASN A 19 -8.773 -1.648 -9.685 1.00 23.14 H new ATOM 0 HA ASN A 19 -11.521 -1.065 -8.746 1.00 35.13 H new ATOM 0 HB2 ASN A 19 -11.846 -3.268 -10.235 1.00 54.30 H new ATOM 0 HB3 ASN A 19 -11.896 -1.661 -10.932 1.00 54.30 H new ATOM 0 HD21 ASN A 19 -10.271 -4.657 -11.038 1.00 60.43 H new ATOM 0 HD22 ASN A 19 -8.980 -4.136 -12.125 1.00 60.43 H new ATOM 326 N PRO A 20 -10.722 -2.506 -6.770 1.00 3.13 N ATOM 327 CA PRO A 20 -10.615 -3.450 -5.654 1.00 13.13 C ATOM 328 C PRO A 20 -11.832 -4.363 -5.548 1.00 40.14 C ATOM 329 O PRO A 20 -12.927 -3.937 -5.182 1.00 0.03 O ATOM 330 CB PRO A 20 -10.523 -2.538 -4.427 1.00 64.20 C ATOM 331 CG PRO A 20 -11.193 -1.275 -4.842 1.00 71.22 C ATOM 332 CD PRO A 20 -10.911 -1.120 -6.311 1.00 1.34 C ATOM 0 HA PRO A 20 -9.765 -4.122 -5.769 1.00 13.13 H new ATOM 0 HB2 PRO A 20 -11.018 -2.984 -3.565 1.00 64.20 H new ATOM 0 HB3 PRO A 20 -9.486 -2.361 -4.142 1.00 64.20 H new ATOM 0 HG2 PRO A 20 -12.266 -1.322 -4.653 1.00 71.22 H new ATOM 0 HG3 PRO A 20 -10.807 -0.425 -4.279 1.00 71.22 H new ATOM 0 HD2 PRO A 20 -11.737 -0.634 -6.830 1.00 1.34 H new ATOM 0 HD3 PRO A 20 -10.023 -0.513 -6.488 1.00 1.34 H new ATOM 340 N PRO A 21 -11.637 -5.649 -5.875 1.00 33.22 N ATOM 341 CA PRO A 21 -12.707 -6.649 -5.824 1.00 33.44 C ATOM 342 C PRO A 21 -13.129 -6.975 -4.395 1.00 52.32 C ATOM 343 O PRO A 21 -12.862 -6.209 -3.469 1.00 40.32 O ATOM 344 CB PRO A 21 -12.078 -7.877 -6.489 1.00 12.21 C ATOM 345 CG PRO A 21 -10.612 -7.708 -6.285 1.00 12.30 C ATOM 346 CD PRO A 21 -10.357 -6.226 -6.320 1.00 1.11 C ATOM 0 HA PRO A 21 -13.615 -6.299 -6.316 1.00 33.44 H new ATOM 0 HB2 PRO A 21 -12.437 -8.801 -6.035 1.00 12.21 H new ATOM 0 HB3 PRO A 21 -12.327 -7.925 -7.549 1.00 12.21 H new ATOM 0 HG2 PRO A 21 -10.299 -8.135 -5.333 1.00 12.30 H new ATOM 0 HG3 PRO A 21 -10.048 -8.220 -7.065 1.00 12.30 H new ATOM 0 HD2 PRO A 21 -9.538 -5.944 -5.659 1.00 1.11 H new ATOM 0 HD3 PRO A 21 -10.090 -5.888 -7.321 1.00 1.11 H new ATOM 354 N ARG A 22 -13.788 -8.116 -4.222 1.00 43.05 N ATOM 355 CA ARG A 22 -14.247 -8.542 -2.907 1.00 21.44 C ATOM 356 C ARG A 22 -13.066 -8.789 -1.972 1.00 62.53 C ATOM 357 O ARG A 22 -12.410 -9.829 -2.045 1.00 50.44 O ATOM 358 CB ARG A 22 -15.092 -9.812 -3.024 1.00 13.41 C ATOM 359 CG ARG A 22 -16.522 -9.553 -3.470 1.00 30.23 C ATOM 360 CD ARG A 22 -17.398 -9.120 -2.305 1.00 20.25 C ATOM 361 NE ARG A 22 -18.742 -8.747 -2.740 1.00 44.20 N ATOM 362 CZ ARG A 22 -19.648 -8.195 -1.939 1.00 45.35 C ATOM 363 NH1 ARG A 22 -19.354 -7.953 -0.670 1.00 24.13 N ATOM 364 NH2 ARG A 22 -20.848 -7.884 -2.410 1.00 43.30 N ATOM 0 H ARG A 22 -14.016 -8.762 -4.978 1.00 43.05 H new ATOM 0 HA ARG A 22 -14.859 -7.743 -2.488 1.00 21.44 H new ATOM 0 HB2 ARG A 22 -14.617 -10.491 -3.732 1.00 13.41 H new ATOM 0 HB3 ARG A 22 -15.107 -10.318 -2.059 1.00 13.41 H new ATOM 0 HG2 ARG A 22 -16.530 -8.781 -4.240 1.00 30.23 H new ATOM 0 HG3 ARG A 22 -16.933 -10.456 -3.920 1.00 30.23 H new ATOM 0 HD2 ARG A 22 -17.464 -9.931 -1.580 1.00 20.25 H new ATOM 0 HD3 ARG A 22 -16.934 -8.275 -1.797 1.00 20.25 H new ATOM 0 HE ARG A 22 -18.999 -8.920 -3.712 1.00 44.20 H new ATOM 0 HH11 ARG A 22 -18.431 -8.190 -0.306 1.00 24.13 H new ATOM 0 HH12 ARG A 22 -20.051 -7.529 -0.057 1.00 24.13 H new ATOM 0 HH21 ARG A 22 -21.076 -8.068 -3.387 1.00 43.30 H new ATOM 0 HH22 ARG A 22 -21.543 -7.460 -1.795 1.00 43.30 H new ATOM 378 N CYS A 23 -12.800 -7.826 -1.096 1.00 2.51 N ATOM 379 CA CYS A 23 -11.698 -7.937 -0.149 1.00 25.25 C ATOM 380 C CYS A 23 -11.415 -9.399 0.189 1.00 43.32 C ATOM 381 O CYS A 23 -10.259 -9.814 0.279 1.00 34.32 O ATOM 382 CB CYS A 23 -12.017 -7.160 1.130 1.00 3.21 C ATOM 383 SG CYS A 23 -10.560 -6.411 1.928 1.00 62.31 S ATOM 0 H CYS A 23 -13.333 -6.960 -1.023 1.00 2.51 H new ATOM 0 HA CYS A 23 -10.809 -7.511 -0.614 1.00 25.25 H new ATOM 0 HB2 CYS A 23 -12.734 -6.373 0.895 1.00 3.21 H new ATOM 0 HB3 CYS A 23 -12.501 -7.831 1.839 1.00 3.21 H new ATOM 388 N THR A 24 -12.479 -10.174 0.374 1.00 72.14 N ATOM 389 CA THR A 24 -12.346 -11.587 0.701 1.00 34.51 C ATOM 390 C THR A 24 -11.375 -12.283 -0.246 1.00 31.15 C ATOM 391 O THR A 24 -10.427 -12.936 0.192 1.00 14.31 O ATOM 392 CB THR A 24 -13.707 -12.308 0.642 1.00 10.41 C ATOM 393 OG1 THR A 24 -14.471 -12.007 1.816 1.00 74.23 O ATOM 394 CG2 THR A 24 -13.518 -13.813 0.526 1.00 52.30 C ATOM 0 H THR A 24 -13.442 -9.846 0.303 1.00 72.14 H new ATOM 0 HA THR A 24 -11.958 -11.640 1.718 1.00 34.51 H new ATOM 0 HB THR A 24 -14.242 -11.956 -0.240 1.00 10.41 H new ATOM 0 HG1 THR A 24 -15.335 -12.467 1.771 1.00 74.23 H new ATOM 0 HG21 THR A 24 -14.492 -14.300 0.486 1.00 52.30 H new ATOM 0 HG22 THR A 24 -12.961 -14.041 -0.383 1.00 52.30 H new ATOM 0 HG23 THR A 24 -12.965 -14.178 1.392 1.00 52.30 H new ATOM 402 N ILE A 25 -11.616 -12.138 -1.544 1.00 31.41 N ATOM 403 CA ILE A 25 -10.761 -12.750 -2.553 1.00 24.54 C ATOM 404 C ILE A 25 -9.629 -11.814 -2.957 1.00 40.44 C ATOM 405 O ILE A 25 -8.524 -12.256 -3.268 1.00 65.54 O ATOM 406 CB ILE A 25 -11.562 -13.142 -3.809 1.00 1.24 C ATOM 407 CG1 ILE A 25 -12.962 -13.620 -3.420 1.00 1.15 C ATOM 408 CG2 ILE A 25 -10.827 -14.219 -4.593 1.00 14.23 C ATOM 409 CD1 ILE A 25 -13.919 -13.703 -4.588 1.00 32.11 C ATOM 0 H ILE A 25 -12.397 -11.602 -1.922 1.00 31.41 H new ATOM 0 HA ILE A 25 -10.341 -13.651 -2.105 1.00 24.54 H new ATOM 0 HB ILE A 25 -11.663 -12.263 -4.445 1.00 1.24 H new ATOM 0 HG12 ILE A 25 -12.885 -14.602 -2.953 1.00 1.15 H new ATOM 0 HG13 ILE A 25 -13.373 -12.943 -2.671 1.00 1.15 H new ATOM 0 HG21 ILE A 25 -11.406 -14.485 -5.477 1.00 14.23 H new ATOM 0 HG22 ILE A 25 -9.850 -13.844 -4.898 1.00 14.23 H new ATOM 0 HG23 ILE A 25 -10.697 -15.101 -3.966 1.00 14.23 H new ATOM 0 HD11 ILE A 25 -14.892 -14.049 -4.238 1.00 32.11 H new ATOM 0 HD12 ILE A 25 -14.026 -12.718 -5.042 1.00 32.11 H new ATOM 0 HD13 ILE A 25 -13.530 -14.403 -5.328 1.00 32.11 H new ATOM 421 N ALA A 26 -9.911 -10.515 -2.947 1.00 71.32 N ATOM 422 CA ALA A 26 -8.915 -9.514 -3.309 1.00 55.22 C ATOM 423 C ALA A 26 -7.630 -9.703 -2.510 1.00 23.34 C ATOM 424 O ALA A 26 -6.575 -9.192 -2.883 1.00 64.03 O ATOM 425 CB ALA A 26 -9.471 -8.114 -3.093 1.00 32.33 C ATOM 0 H ALA A 26 -10.821 -10.131 -2.692 1.00 71.32 H new ATOM 0 HA ALA A 26 -8.677 -9.640 -4.365 1.00 55.22 H new ATOM 0 HB1 ALA A 26 -8.717 -7.377 -3.367 1.00 32.33 H new ATOM 0 HB2 ALA A 26 -10.357 -7.975 -3.713 1.00 32.33 H new ATOM 0 HB3 ALA A 26 -9.738 -7.987 -2.044 1.00 32.33 H new ATOM 431 N MET A 27 -7.727 -10.442 -1.408 1.00 52.23 N ATOM 432 CA MET A 27 -6.572 -10.698 -0.556 1.00 63.35 C ATOM 433 C MET A 27 -6.007 -12.092 -0.814 1.00 2.33 C ATOM 434 O MET A 27 -5.305 -12.652 0.029 1.00 70.41 O ATOM 435 CB MET A 27 -6.955 -10.554 0.918 1.00 72.25 C ATOM 436 CG MET A 27 -7.925 -11.621 1.400 1.00 62.23 C ATOM 437 SD MET A 27 -7.685 -12.041 3.138 1.00 74.25 S ATOM 438 CE MET A 27 -6.126 -12.919 3.062 1.00 52.30 C ATOM 0 H MET A 27 -8.593 -10.873 -1.085 1.00 52.23 H new ATOM 0 HA MET A 27 -5.804 -9.963 -0.796 1.00 63.35 H new ATOM 0 HB2 MET A 27 -6.051 -10.595 1.526 1.00 72.25 H new ATOM 0 HB3 MET A 27 -7.400 -9.572 1.075 1.00 72.25 H new ATOM 0 HG2 MET A 27 -8.947 -11.272 1.252 1.00 62.23 H new ATOM 0 HG3 MET A 27 -7.804 -12.518 0.793 1.00 62.23 H new ATOM 0 HE1 MET A 27 -6.292 -13.975 3.276 1.00 52.30 H new ATOM 0 HE2 MET A 27 -5.698 -12.814 2.065 1.00 52.30 H new ATOM 0 HE3 MET A 27 -5.438 -12.503 3.798 1.00 52.30 H new ATOM 448 N ARG A 28 -6.319 -12.646 -1.981 1.00 4.21 N ATOM 449 CA ARG A 28 -5.843 -13.975 -2.347 1.00 24.02 C ATOM 450 C ARG A 28 -4.502 -13.893 -3.070 1.00 53.53 C ATOM 451 O ARG A 28 -3.597 -14.685 -2.812 1.00 2.32 O ATOM 452 CB ARG A 28 -6.870 -14.681 -3.233 1.00 42.35 C ATOM 453 CG ARG A 28 -7.076 -14.008 -4.581 1.00 63.40 C ATOM 454 CD ARG A 28 -6.179 -14.615 -5.649 1.00 40.34 C ATOM 455 NE ARG A 28 -6.795 -14.567 -6.972 1.00 62.03 N ATOM 456 CZ ARG A 28 -6.224 -15.057 -8.067 1.00 44.15 C ATOM 457 NH1 ARG A 28 -5.030 -15.629 -7.996 1.00 61.30 N ATOM 458 NH2 ARG A 28 -6.848 -14.976 -9.236 1.00 4.34 N ATOM 0 H ARG A 28 -6.899 -12.196 -2.689 1.00 4.21 H new ATOM 0 HA ARG A 28 -5.707 -14.550 -1.431 1.00 24.02 H new ATOM 0 HB2 ARG A 28 -6.551 -15.711 -3.395 1.00 42.35 H new ATOM 0 HB3 ARG A 28 -7.824 -14.722 -2.707 1.00 42.35 H new ATOM 0 HG2 ARG A 28 -8.119 -14.105 -4.882 1.00 63.40 H new ATOM 0 HG3 ARG A 28 -6.868 -12.942 -4.492 1.00 63.40 H new ATOM 0 HD2 ARG A 28 -5.229 -14.081 -5.672 1.00 40.34 H new ATOM 0 HD3 ARG A 28 -5.956 -15.650 -5.390 1.00 40.34 H new ATOM 0 HE ARG A 28 -7.714 -14.134 -7.060 1.00 62.03 H new ATOM 0 HH11 ARG A 28 -4.548 -15.694 -7.099 1.00 61.30 H new ATOM 0 HH12 ARG A 28 -4.594 -16.005 -8.838 1.00 61.30 H new ATOM 0 HH21 ARG A 28 -7.767 -14.537 -9.294 1.00 4.34 H new ATOM 0 HH22 ARG A 28 -6.408 -15.353 -10.076 1.00 4.34 H new ATOM 472 N ALA A 29 -4.383 -12.928 -3.977 1.00 41.32 N ATOM 473 CA ALA A 29 -3.153 -12.741 -4.735 1.00 62.35 C ATOM 474 C ALA A 29 -2.111 -11.986 -3.916 1.00 50.22 C ATOM 475 O ALA A 29 -0.913 -12.256 -4.018 1.00 74.32 O ATOM 476 CB ALA A 29 -3.441 -12.003 -6.035 1.00 52.32 C ATOM 0 H ALA A 29 -5.124 -12.264 -4.204 1.00 41.32 H new ATOM 0 HA ALA A 29 -2.748 -13.725 -4.970 1.00 62.35 H new ATOM 0 HB1 ALA A 29 -2.513 -11.870 -6.591 1.00 52.32 H new ATOM 0 HB2 ALA A 29 -4.144 -12.582 -6.634 1.00 52.32 H new ATOM 0 HB3 ALA A 29 -3.873 -11.027 -5.812 1.00 52.32 H new ATOM 482 N ILE A 30 -2.575 -11.041 -3.106 1.00 51.41 N ATOM 483 CA ILE A 30 -1.682 -10.248 -2.270 1.00 41.21 C ATOM 484 C ILE A 30 -1.076 -11.094 -1.156 1.00 24.23 C ATOM 485 O ILE A 30 0.114 -11.406 -1.177 1.00 15.41 O ATOM 486 CB ILE A 30 -2.416 -9.046 -1.644 1.00 61.22 C ATOM 487 CG1 ILE A 30 -2.633 -7.952 -2.692 1.00 3.52 C ATOM 488 CG2 ILE A 30 -1.632 -8.505 -0.458 1.00 63.34 C ATOM 489 CD1 ILE A 30 -3.465 -8.400 -3.872 1.00 33.13 C ATOM 0 H ILE A 30 -3.563 -10.806 -3.011 1.00 51.41 H new ATOM 0 HA ILE A 30 -0.886 -9.881 -2.918 1.00 41.21 H new ATOM 0 HB ILE A 30 -3.391 -9.379 -1.287 1.00 61.22 H new ATOM 0 HG12 ILE A 30 -3.119 -7.099 -2.219 1.00 3.52 H new ATOM 0 HG13 ILE A 30 -1.663 -7.608 -3.052 1.00 3.52 H new ATOM 0 HG21 ILE A 30 -2.163 -7.657 -0.027 1.00 63.34 H new ATOM 0 HG22 ILE A 30 -1.525 -9.286 0.294 1.00 63.34 H new ATOM 0 HG23 ILE A 30 -0.645 -8.184 -0.790 1.00 63.34 H new ATOM 0 HD11 ILE A 30 -3.577 -7.573 -4.573 1.00 33.13 H new ATOM 0 HD12 ILE A 30 -2.970 -9.234 -4.370 1.00 33.13 H new ATOM 0 HD13 ILE A 30 -4.448 -8.717 -3.525 1.00 33.13 H new ATOM 501 N ASN A 31 -1.904 -11.465 -0.184 1.00 62.34 N ATOM 502 CA ASN A 31 -1.449 -12.278 0.938 1.00 73.13 C ATOM 503 C ASN A 31 -0.641 -13.477 0.450 1.00 72.44 C ATOM 504 O ASN A 31 0.160 -14.042 1.192 1.00 34.35 O ATOM 505 CB ASN A 31 -2.645 -12.757 1.764 1.00 41.42 C ATOM 506 CG ASN A 31 -3.099 -11.723 2.776 1.00 3.41 C ATOM 507 OD1 ASN A 31 -2.719 -11.775 3.946 1.00 32.12 O ATOM 508 ND2 ASN A 31 -3.917 -10.777 2.329 1.00 63.12 N ATOM 0 H ASN A 31 -2.893 -11.216 -0.151 1.00 62.34 H new ATOM 0 HA ASN A 31 -0.806 -11.661 1.565 1.00 73.13 H new ATOM 0 HB2 ASN A 31 -3.473 -12.995 1.096 1.00 41.42 H new ATOM 0 HB3 ASN A 31 -2.379 -13.678 2.283 1.00 41.42 H new ATOM 0 HD21 ASN A 31 -4.256 -10.054 2.964 1.00 63.12 H new ATOM 0 HD22 ASN A 31 -4.206 -10.773 1.351 1.00 63.12 H new ATOM 515 N ASN A 32 -0.858 -13.858 -0.805 1.00 71.34 N ATOM 516 CA ASN A 32 -0.150 -14.989 -1.393 1.00 2.25 C ATOM 517 C ASN A 32 1.354 -14.868 -1.165 1.00 71.03 C ATOM 518 O ASN A 32 2.091 -15.847 -1.282 1.00 63.53 O ATOM 519 CB ASN A 32 -0.444 -15.079 -2.891 1.00 33.52 C ATOM 520 CG ASN A 32 -0.408 -16.507 -3.404 1.00 12.23 C ATOM 521 OD1 ASN A 32 0.662 -17.096 -3.556 1.00 53.33 O ATOM 522 ND2 ASN A 32 -1.581 -17.069 -3.671 1.00 21.22 N ATOM 0 H ASN A 32 -1.518 -13.400 -1.434 1.00 71.34 H new ATOM 0 HA ASN A 32 -0.502 -15.898 -0.905 1.00 2.25 H new ATOM 0 HB2 ASN A 32 -1.425 -14.648 -3.092 1.00 33.52 H new ATOM 0 HB3 ASN A 32 0.285 -14.481 -3.438 1.00 33.52 H new ATOM 0 HD21 ASN A 32 -1.620 -18.028 -4.017 1.00 21.22 H new ATOM 0 HD22 ASN A 32 -2.443 -16.542 -3.530 1.00 21.22 H new ATOM 529 N TYR A 33 1.801 -13.660 -0.841 1.00 44.40 N ATOM 530 CA TYR A 33 3.218 -13.409 -0.599 1.00 73.02 C ATOM 531 C TYR A 33 3.706 -14.181 0.622 1.00 24.21 C ATOM 532 O TYR A 33 4.906 -14.246 0.891 1.00 5.30 O ATOM 533 CB TYR A 33 3.465 -11.912 -0.403 1.00 65.11 C ATOM 534 CG TYR A 33 2.514 -11.264 0.576 1.00 72.14 C ATOM 535 CD1 TYR A 33 2.335 -11.785 1.852 1.00 62.32 C ATOM 536 CD2 TYR A 33 1.793 -10.129 0.226 1.00 44.11 C ATOM 537 CE1 TYR A 33 1.466 -11.197 2.749 1.00 53.24 C ATOM 538 CE2 TYR A 33 0.923 -9.532 1.118 1.00 71.41 C ATOM 539 CZ TYR A 33 0.762 -10.070 2.378 1.00 71.33 C ATOM 540 OH TYR A 33 -0.104 -9.479 3.269 1.00 31.42 O ATOM 0 H TYR A 33 1.204 -12.839 -0.740 1.00 44.40 H new ATOM 0 HA TYR A 33 3.777 -13.752 -1.470 1.00 73.02 H new ATOM 0 HB2 TYR A 33 4.487 -11.764 -0.056 1.00 65.11 H new ATOM 0 HB3 TYR A 33 3.380 -11.409 -1.366 1.00 65.11 H new ATOM 0 HD1 TYR A 33 2.886 -12.666 2.147 1.00 62.32 H new ATOM 0 HD2 TYR A 33 1.915 -9.706 -0.760 1.00 44.11 H new ATOM 0 HE1 TYR A 33 1.338 -11.617 3.736 1.00 53.24 H new ATOM 0 HE2 TYR A 33 0.372 -8.649 0.830 1.00 71.41 H new ATOM 0 HH TYR A 33 -0.519 -8.695 2.851 1.00 31.42 H new ATOM 550 N ARG A 34 2.768 -14.767 1.359 1.00 33.14 N ATOM 551 CA ARG A 34 3.101 -15.534 2.553 1.00 63.12 C ATOM 552 C ARG A 34 2.032 -16.585 2.841 1.00 54.04 C ATOM 553 O ARG A 34 1.068 -16.724 2.088 1.00 23.33 O ATOM 554 CB ARG A 34 3.256 -14.604 3.757 1.00 15.04 C ATOM 555 CG ARG A 34 1.934 -14.081 4.296 1.00 64.53 C ATOM 556 CD ARG A 34 2.147 -13.096 5.435 1.00 33.54 C ATOM 557 NE ARG A 34 3.278 -12.208 5.185 1.00 5.14 N ATOM 558 CZ ARG A 34 3.961 -11.600 6.150 1.00 62.33 C ATOM 559 NH1 ARG A 34 3.629 -11.784 7.420 1.00 41.32 N ATOM 560 NH2 ARG A 34 4.979 -10.806 5.842 1.00 0.44 N ATOM 0 H ARG A 34 1.771 -14.725 1.150 1.00 33.14 H new ATOM 0 HA ARG A 34 4.047 -16.044 2.374 1.00 63.12 H new ATOM 0 HB2 ARG A 34 3.778 -15.137 4.552 1.00 15.04 H new ATOM 0 HB3 ARG A 34 3.883 -13.759 3.474 1.00 15.04 H new ATOM 0 HG2 ARG A 34 1.379 -13.596 3.493 1.00 64.53 H new ATOM 0 HG3 ARG A 34 1.326 -14.916 4.645 1.00 64.53 H new ATOM 0 HD2 ARG A 34 1.244 -12.502 5.575 1.00 33.54 H new ATOM 0 HD3 ARG A 34 2.314 -13.644 6.362 1.00 33.54 H new ATOM 0 HE ARG A 34 3.559 -12.045 4.218 1.00 5.14 H new ATOM 0 HH11 ARG A 34 2.847 -12.394 7.660 1.00 41.32 H new ATOM 0 HH12 ARG A 34 4.155 -11.316 8.158 1.00 41.32 H new ATOM 0 HH21 ARG A 34 5.237 -10.663 4.866 1.00 0.44 H new ATOM 0 HH22 ARG A 34 5.504 -10.339 6.582 1.00 0.44 H new ATOM 574 N TRP A 35 2.211 -17.319 3.932 1.00 53.11 N ATOM 575 CA TRP A 35 1.262 -18.356 4.320 1.00 74.52 C ATOM 576 C TRP A 35 0.269 -17.829 5.350 1.00 4.25 C ATOM 577 O TRP A 35 -0.817 -18.383 5.520 1.00 52.11 O ATOM 578 CB TRP A 35 2.002 -19.572 4.880 1.00 54.02 C ATOM 579 CG TRP A 35 2.440 -20.539 3.822 1.00 23.34 C ATOM 580 CD1 TRP A 35 3.711 -20.728 3.360 1.00 71.33 C ATOM 581 CD2 TRP A 35 1.608 -21.449 3.095 1.00 73.11 C ATOM 582 NE1 TRP A 35 3.718 -21.700 2.389 1.00 43.24 N ATOM 583 CE2 TRP A 35 2.441 -22.159 2.209 1.00 70.14 C ATOM 584 CE3 TRP A 35 0.239 -21.734 3.107 1.00 23.13 C ATOM 585 CZ2 TRP A 35 1.949 -23.133 1.344 1.00 12.03 C ATOM 586 CZ3 TRP A 35 -0.247 -22.702 2.249 1.00 43.20 C ATOM 587 CH2 TRP A 35 0.606 -23.392 1.377 1.00 15.04 C ATOM 0 H TRP A 35 3.005 -17.216 4.564 1.00 53.11 H new ATOM 0 HA TRP A 35 0.708 -18.656 3.431 1.00 74.52 H new ATOM 0 HB2 TRP A 35 2.876 -19.232 5.436 1.00 54.02 H new ATOM 0 HB3 TRP A 35 1.354 -20.088 5.588 1.00 54.02 H new ATOM 0 HD1 TRP A 35 4.582 -20.192 3.707 1.00 71.33 H new ATOM 0 HE1 TRP A 35 4.542 -22.027 1.884 1.00 43.24 H new ATOM 0 HE3 TRP A 35 -0.426 -21.207 3.775 1.00 23.13 H new ATOM 0 HZ2 TRP A 35 2.605 -23.665 0.671 1.00 12.03 H new ATOM 0 HZ3 TRP A 35 -1.302 -22.931 2.250 1.00 43.20 H new ATOM 0 HH2 TRP A 35 0.195 -24.143 0.718 1.00 15.04 H new ATOM 598 N ARG A 36 0.652 -16.758 6.039 1.00 74.41 N ATOM 599 CA ARG A 36 -0.204 -16.158 7.055 1.00 14.34 C ATOM 600 C ARG A 36 -0.894 -14.908 6.516 1.00 54.22 C ATOM 601 O ARG A 36 -0.268 -14.072 5.865 1.00 44.44 O ATOM 602 CB ARG A 36 0.614 -15.806 8.298 1.00 22.11 C ATOM 603 CG ARG A 36 -0.188 -15.854 9.589 1.00 50.30 C ATOM 604 CD ARG A 36 -0.874 -14.525 9.868 1.00 2.21 C ATOM 605 NE ARG A 36 -1.528 -14.510 11.173 1.00 24.32 N ATOM 606 CZ ARG A 36 -1.782 -13.400 11.856 1.00 34.31 C ATOM 607 NH1 ARG A 36 -1.439 -12.220 11.360 1.00 75.42 N ATOM 608 NH2 ARG A 36 -2.382 -13.469 13.038 1.00 71.14 N ATOM 0 H ARG A 36 1.549 -16.289 5.912 1.00 74.41 H new ATOM 0 HA ARG A 36 -0.969 -16.886 7.326 1.00 14.34 H new ATOM 0 HB2 ARG A 36 1.455 -16.495 8.377 1.00 22.11 H new ATOM 0 HB3 ARG A 36 1.032 -14.807 8.177 1.00 22.11 H new ATOM 0 HG2 ARG A 36 -0.936 -16.644 9.525 1.00 50.30 H new ATOM 0 HG3 ARG A 36 0.472 -16.106 10.419 1.00 50.30 H new ATOM 0 HD2 ARG A 36 -0.139 -13.721 9.822 1.00 2.21 H new ATOM 0 HD3 ARG A 36 -1.612 -14.328 9.090 1.00 2.21 H new ATOM 0 HE ARG A 36 -1.805 -15.402 11.583 1.00 24.32 H new ATOM 0 HH11 ARG A 36 -0.979 -12.163 10.452 1.00 75.42 H new ATOM 0 HH12 ARG A 36 -1.635 -11.369 11.887 1.00 75.42 H new ATOM 0 HH21 ARG A 36 -2.648 -14.375 13.423 1.00 71.14 H new ATOM 0 HH22 ARG A 36 -2.577 -12.616 13.562 1.00 71.14 H new ATOM 622 N CYS A 37 -2.188 -14.787 6.792 1.00 71.35 N ATOM 623 CA CYS A 37 -2.964 -13.641 6.335 1.00 71.22 C ATOM 624 C CYS A 37 -2.519 -12.365 7.044 1.00 73.44 C ATOM 625 O CYS A 37 -1.856 -12.416 8.079 1.00 3.33 O ATOM 626 CB CYS A 37 -4.456 -13.878 6.579 1.00 71.54 C ATOM 627 SG CYS A 37 -5.530 -12.536 5.976 1.00 14.13 S ATOM 0 H CYS A 37 -2.722 -15.469 7.330 1.00 71.35 H new ATOM 0 HA CYS A 37 -2.792 -13.521 5.265 1.00 71.22 H new ATOM 0 HB2 CYS A 37 -4.749 -14.809 6.094 1.00 71.54 H new ATOM 0 HB3 CYS A 37 -4.622 -14.009 7.648 1.00 71.54 H new ATOM 632 N LYS A 38 -2.888 -11.221 6.478 1.00 73.43 N ATOM 633 CA LYS A 38 -2.529 -9.931 7.055 1.00 54.24 C ATOM 634 C LYS A 38 -3.579 -9.475 8.063 1.00 54.55 C ATOM 635 O LYS A 38 -4.750 -9.837 7.961 1.00 42.13 O ATOM 636 CB LYS A 38 -2.377 -8.880 5.951 1.00 24.24 C ATOM 637 CG LYS A 38 -1.363 -7.798 6.279 1.00 63.34 C ATOM 638 CD LYS A 38 0.052 -8.352 6.315 1.00 55.11 C ATOM 639 CE LYS A 38 1.087 -7.238 6.273 1.00 25.54 C ATOM 640 NZ LYS A 38 1.131 -6.572 4.943 1.00 64.13 N ATOM 0 H LYS A 38 -3.436 -11.161 5.620 1.00 73.43 H new ATOM 0 HA LYS A 38 -1.577 -10.045 7.574 1.00 54.24 H new ATOM 0 HB2 LYS A 38 -2.081 -9.376 5.027 1.00 24.24 H new ATOM 0 HB3 LYS A 38 -3.346 -8.415 5.767 1.00 24.24 H new ATOM 0 HG2 LYS A 38 -1.425 -7.003 5.536 1.00 63.34 H new ATOM 0 HG3 LYS A 38 -1.605 -7.352 7.244 1.00 63.34 H new ATOM 0 HD2 LYS A 38 0.189 -8.944 7.220 1.00 55.11 H new ATOM 0 HD3 LYS A 38 0.203 -9.023 5.469 1.00 55.11 H new ATOM 0 HE2 LYS A 38 0.857 -6.500 7.041 1.00 25.54 H new ATOM 0 HE3 LYS A 38 2.070 -7.647 6.507 1.00 25.54 H new ATOM 0 HZ1 LYS A 38 2.023 -6.047 4.847 1.00 64.13 H new ATOM 0 HZ2 LYS A 38 1.070 -7.290 4.193 1.00 64.13 H new ATOM 0 HZ3 LYS A 38 0.331 -5.913 4.858 1.00 64.13 H new ATOM 654 N ASN A 39 -3.150 -8.677 9.036 1.00 12.31 N ATOM 655 CA ASN A 39 -4.053 -8.170 10.063 1.00 34.53 C ATOM 656 C ASN A 39 -4.799 -6.934 9.570 1.00 4.32 C ATOM 657 O ASN A 39 -5.818 -6.543 10.140 1.00 4.44 O ATOM 658 CB ASN A 39 -3.276 -7.837 11.337 1.00 62.12 C ATOM 659 CG ASN A 39 -4.058 -6.936 12.274 1.00 31.40 C ATOM 660 OD1 ASN A 39 -3.832 -5.727 12.322 1.00 44.30 O ATOM 661 ND2 ASN A 39 -4.984 -7.524 13.023 1.00 70.11 N ATOM 0 H ASN A 39 -2.183 -8.368 9.135 1.00 12.31 H new ATOM 0 HA ASN A 39 -4.783 -8.948 10.285 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -3.021 -8.761 11.855 1.00 62.12 H new ATOM 0 HB3 ASN A 39 -2.337 -7.351 11.070 1.00 62.12 H new ATOM 0 HD21 ASN A 39 -5.543 -6.970 13.672 1.00 70.11 H new ATOM 0 HD22 ASN A 39 -5.136 -8.530 12.949 1.00 70.11 H new ATOM 668 N GLN A 40 -4.284 -6.324 8.507 1.00 15.14 N ATOM 669 CA GLN A 40 -4.901 -5.131 7.939 1.00 43.22 C ATOM 670 C GLN A 40 -4.183 -4.703 6.663 1.00 3.24 C ATOM 671 O GLN A 40 -3.064 -5.138 6.394 1.00 50.33 O ATOM 672 CB GLN A 40 -4.885 -3.988 8.956 1.00 42.24 C ATOM 673 CG GLN A 40 -6.143 -3.136 8.933 1.00 52.40 C ATOM 674 CD GLN A 40 -5.879 -1.696 9.327 1.00 55.10 C ATOM 675 OE1 GLN A 40 -5.538 -1.407 10.474 1.00 4.23 O ATOM 676 NE2 GLN A 40 -6.038 -0.783 8.377 1.00 41.52 N ATOM 0 H GLN A 40 -3.442 -6.636 8.022 1.00 15.14 H new ATOM 0 HA GLN A 40 -5.935 -5.371 7.690 1.00 43.22 H new ATOM 0 HB2 GLN A 40 -4.756 -4.404 9.955 1.00 42.24 H new ATOM 0 HB3 GLN A 40 -4.022 -3.352 8.761 1.00 42.24 H new ATOM 0 HG2 GLN A 40 -6.577 -3.162 7.933 1.00 52.40 H new ATOM 0 HG3 GLN A 40 -6.880 -3.565 9.611 1.00 52.40 H new ATOM 0 HE21 GLN A 40 -6.322 -1.067 7.439 1.00 41.52 H new ATOM 0 HE22 GLN A 40 -5.876 0.202 8.585 1.00 41.52 H new ATOM 685 N ASN A 41 -4.835 -3.849 5.881 1.00 11.14 N ATOM 686 CA ASN A 41 -4.259 -3.362 4.633 1.00 30.11 C ATOM 687 C ASN A 41 -5.157 -2.307 3.993 1.00 20.14 C ATOM 688 O ASN A 41 -6.345 -2.214 4.307 1.00 70.43 O ATOM 689 CB ASN A 41 -4.045 -4.524 3.659 1.00 3.21 C ATOM 690 CG ASN A 41 -3.515 -4.061 2.315 1.00 11.34 C ATOM 691 OD1 ASN A 41 -4.369 -3.408 1.536 1.00 42.05 O flip ATOM 692 ND2 ASN A 41 -2.352 -4.289 1.984 1.00 2.42 N flip ATOM 0 H ASN A 41 -5.763 -3.480 6.090 1.00 11.14 H new ATOM 0 HA ASN A 41 -3.297 -2.904 4.861 1.00 30.11 H new ATOM 0 HB2 ASN A 41 -3.346 -5.237 4.096 1.00 3.21 H new ATOM 0 HB3 ASN A 41 -4.988 -5.051 3.513 1.00 3.21 H new ATOM 0 HD21 ASN A 41 -1.732 -4.795 2.616 1.00 2.42 H new ATOM 0 HD22 ASN A 41 -2.008 -3.972 1.077 1.00 2.42 H new ATOM 699 N THR A 42 -4.583 -1.514 3.095 1.00 62.35 N ATOM 700 CA THR A 42 -5.330 -0.466 2.411 1.00 44.41 C ATOM 701 C THR A 42 -4.934 -0.378 0.942 1.00 34.22 C ATOM 702 O THR A 42 -3.755 -0.246 0.613 1.00 63.43 O ATOM 703 CB THR A 42 -5.107 0.906 3.074 1.00 5.43 C ATOM 704 OG1 THR A 42 -5.680 0.915 4.387 1.00 61.34 O ATOM 705 CG2 THR A 42 -5.723 2.018 2.239 1.00 4.11 C ATOM 0 H THR A 42 -3.602 -1.577 2.824 1.00 62.35 H new ATOM 0 HA THR A 42 -6.385 -0.730 2.485 1.00 44.41 H new ATOM 0 HB THR A 42 -4.033 1.080 3.145 1.00 5.43 H new ATOM 0 HG1 THR A 42 -5.533 1.790 4.802 1.00 61.34 H new ATOM 0 HG21 THR A 42 -5.552 2.977 2.728 1.00 4.11 H new ATOM 0 HG22 THR A 42 -5.264 2.028 1.250 1.00 4.11 H new ATOM 0 HG23 THR A 42 -6.795 1.847 2.139 1.00 4.11 H new ATOM 713 N PHE A 43 -5.928 -0.450 0.062 1.00 44.03 N ATOM 714 CA PHE A 43 -5.683 -0.378 -1.374 1.00 64.11 C ATOM 715 C PHE A 43 -6.140 0.964 -1.938 1.00 4.13 C ATOM 716 O PHE A 43 -7.336 1.209 -2.093 1.00 55.23 O ATOM 717 CB PHE A 43 -6.405 -1.519 -2.094 1.00 12.14 C ATOM 718 CG PHE A 43 -6.156 -2.867 -1.480 1.00 70.33 C ATOM 719 CD1 PHE A 43 -4.873 -3.383 -1.407 1.00 1.42 C ATOM 720 CD2 PHE A 43 -7.207 -3.620 -0.979 1.00 54.45 C ATOM 721 CE1 PHE A 43 -4.640 -4.624 -0.843 1.00 15.54 C ATOM 722 CE2 PHE A 43 -6.981 -4.860 -0.414 1.00 64.20 C ATOM 723 CZ PHE A 43 -5.695 -5.363 -0.346 1.00 74.23 C ATOM 0 H PHE A 43 -6.909 -0.558 0.318 1.00 44.03 H new ATOM 0 HA PHE A 43 -4.610 -0.475 -1.539 1.00 64.11 H new ATOM 0 HB2 PHE A 43 -7.477 -1.320 -2.091 1.00 12.14 H new ATOM 0 HB3 PHE A 43 -6.087 -1.539 -3.136 1.00 12.14 H new ATOM 0 HD1 PHE A 43 -4.044 -2.809 -1.795 1.00 1.42 H new ATOM 0 HD2 PHE A 43 -8.214 -3.233 -1.031 1.00 54.45 H new ATOM 0 HE1 PHE A 43 -3.634 -5.014 -0.791 1.00 15.54 H new ATOM 0 HE2 PHE A 43 -7.808 -5.436 -0.026 1.00 64.20 H new ATOM 0 HZ PHE A 43 -5.516 -6.332 0.095 1.00 74.23 H new ATOM 733 N LEU A 44 -5.179 1.829 -2.241 1.00 52.04 N ATOM 734 CA LEU A 44 -5.481 3.148 -2.787 1.00 54.23 C ATOM 735 C LEU A 44 -5.849 3.055 -4.264 1.00 64.33 C ATOM 736 O LEU A 44 -5.123 2.456 -5.058 1.00 64.41 O ATOM 737 CB LEU A 44 -4.285 4.084 -2.606 1.00 22.23 C ATOM 738 CG LEU A 44 -3.403 3.817 -1.385 1.00 23.24 C ATOM 739 CD1 LEU A 44 -2.627 5.068 -1.003 1.00 15.24 C ATOM 740 CD2 LEU A 44 -4.246 3.331 -0.215 1.00 40.22 C ATOM 0 H LEU A 44 -4.184 1.641 -2.118 1.00 52.04 H new ATOM 0 HA LEU A 44 -6.335 3.551 -2.243 1.00 54.23 H new ATOM 0 HB2 LEU A 44 -3.663 4.023 -3.499 1.00 22.23 H new ATOM 0 HB3 LEU A 44 -4.656 5.107 -2.545 1.00 22.23 H new ATOM 0 HG LEU A 44 -2.688 3.035 -1.641 1.00 23.24 H new ATOM 0 HD11 LEU A 44 -2.005 4.859 -0.132 1.00 15.24 H new ATOM 0 HD12 LEU A 44 -1.994 5.372 -1.837 1.00 15.24 H new ATOM 0 HD13 LEU A 44 -3.325 5.871 -0.766 1.00 15.24 H new ATOM 0 HD21 LEU A 44 -3.602 3.146 0.645 1.00 40.22 H new ATOM 0 HD22 LEU A 44 -4.985 4.090 0.041 1.00 40.22 H new ATOM 0 HD23 LEU A 44 -4.755 2.408 -0.492 1.00 40.22 H new ATOM 752 N ARG A 45 -6.978 3.653 -4.627 1.00 34.52 N ATOM 753 CA ARG A 45 -7.442 3.638 -6.009 1.00 42.32 C ATOM 754 C ARG A 45 -6.671 4.650 -6.852 1.00 13.52 C ATOM 755 O ARG A 45 -7.168 5.739 -7.142 1.00 51.01 O ATOM 756 CB ARG A 45 -8.940 3.942 -6.071 1.00 41.14 C ATOM 757 CG ARG A 45 -9.785 3.009 -5.219 1.00 75.15 C ATOM 758 CD ARG A 45 -11.173 2.818 -5.812 1.00 5.41 C ATOM 759 NE ARG A 45 -12.123 3.808 -5.311 1.00 60.11 N ATOM 760 CZ ARG A 45 -13.307 4.037 -5.869 1.00 34.14 C ATOM 761 NH1 ARG A 45 -13.683 3.352 -6.940 1.00 31.43 N ATOM 762 NH2 ARG A 45 -14.117 4.954 -5.355 1.00 73.24 N ATOM 0 H ARG A 45 -7.589 4.155 -3.983 1.00 34.52 H new ATOM 0 HA ARG A 45 -7.264 2.642 -6.415 1.00 42.32 H new ATOM 0 HB2 ARG A 45 -9.108 4.969 -5.746 1.00 41.14 H new ATOM 0 HB3 ARG A 45 -9.273 3.877 -7.107 1.00 41.14 H new ATOM 0 HG2 ARG A 45 -9.288 2.042 -5.134 1.00 75.15 H new ATOM 0 HG3 ARG A 45 -9.871 3.413 -4.210 1.00 75.15 H new ATOM 0 HD2 ARG A 45 -11.116 2.888 -6.898 1.00 5.41 H new ATOM 0 HD3 ARG A 45 -11.534 1.817 -5.575 1.00 5.41 H new ATOM 0 HE ARG A 45 -11.864 4.353 -4.489 1.00 60.11 H new ATOM 0 HH11 ARG A 45 -13.063 2.647 -7.338 1.00 31.43 H new ATOM 0 HH12 ARG A 45 -14.593 3.530 -7.366 1.00 31.43 H new ATOM 0 HH21 ARG A 45 -13.831 5.483 -4.531 1.00 73.24 H new ATOM 0 HH22 ARG A 45 -15.026 5.130 -5.784 1.00 73.24 H new ATOM 776 N THR A 46 -5.454 4.285 -7.241 1.00 41.14 N ATOM 777 CA THR A 46 -4.614 5.161 -8.048 1.00 2.32 C ATOM 778 C THR A 46 -3.474 4.385 -8.697 1.00 21.13 C ATOM 779 O THR A 46 -3.132 3.283 -8.264 1.00 53.14 O ATOM 780 CB THR A 46 -4.025 6.307 -7.205 1.00 12.32 C ATOM 781 OG1 THR A 46 -3.085 7.056 -7.983 1.00 60.52 O ATOM 782 CG2 THR A 46 -3.342 5.766 -5.958 1.00 42.42 C ATOM 0 H THR A 46 -5.027 3.388 -7.010 1.00 41.14 H new ATOM 0 HA THR A 46 -5.252 5.582 -8.825 1.00 2.32 H new ATOM 0 HB THR A 46 -4.843 6.959 -6.898 1.00 12.32 H new ATOM 0 HG1 THR A 46 -2.837 7.872 -7.500 1.00 60.52 H new ATOM 0 HG21 THR A 46 -2.934 6.594 -5.379 1.00 42.42 H new ATOM 0 HG22 THR A 46 -4.067 5.222 -5.353 1.00 42.42 H new ATOM 0 HG23 THR A 46 -2.535 5.093 -6.248 1.00 42.42 H new ATOM 790 N THR A 47 -2.886 4.966 -9.739 1.00 32.24 N ATOM 791 CA THR A 47 -1.784 4.328 -10.448 1.00 62.11 C ATOM 792 C THR A 47 -0.460 4.565 -9.732 1.00 45.11 C ATOM 793 O THR A 47 -0.323 5.510 -8.954 1.00 63.45 O ATOM 794 CB THR A 47 -1.673 4.846 -11.894 1.00 44.22 C ATOM 795 OG1 THR A 47 -2.964 5.231 -12.378 1.00 14.31 O ATOM 796 CG2 THR A 47 -1.082 3.781 -12.806 1.00 4.34 C ATOM 0 H THR A 47 -3.155 5.877 -10.110 1.00 32.24 H new ATOM 0 HA THR A 47 -1.997 3.259 -10.468 1.00 62.11 H new ATOM 0 HB THR A 47 -1.012 5.713 -11.896 1.00 44.22 H new ATOM 0 HG1 THR A 47 -2.884 5.561 -13.297 1.00 14.31 H new ATOM 0 HG21 THR A 47 -1.013 4.169 -13.822 1.00 4.34 H new ATOM 0 HG22 THR A 47 -0.087 3.511 -12.453 1.00 4.34 H new ATOM 0 HG23 THR A 47 -1.722 2.899 -12.797 1.00 4.34 H new ATOM 804 N PHE A 48 0.515 3.702 -10.000 1.00 5.21 N ATOM 805 CA PHE A 48 1.830 3.819 -9.380 1.00 30.43 C ATOM 806 C PHE A 48 2.481 5.154 -9.730 1.00 34.02 C ATOM 807 O PHE A 48 3.198 5.738 -8.918 1.00 34.43 O ATOM 808 CB PHE A 48 2.732 2.666 -9.829 1.00 0.24 C ATOM 809 CG PHE A 48 3.784 2.301 -8.820 1.00 73.32 C ATOM 810 CD1 PHE A 48 3.427 1.806 -7.576 1.00 72.30 C ATOM 811 CD2 PHE A 48 5.128 2.451 -9.117 1.00 42.52 C ATOM 812 CE1 PHE A 48 4.393 1.469 -6.647 1.00 21.11 C ATOM 813 CE2 PHE A 48 6.099 2.117 -8.192 1.00 23.11 C ATOM 814 CZ PHE A 48 5.730 1.624 -6.955 1.00 23.11 C ATOM 0 H PHE A 48 0.419 2.915 -10.642 1.00 5.21 H new ATOM 0 HA PHE A 48 1.700 3.771 -8.299 1.00 30.43 H new ATOM 0 HB2 PHE A 48 2.115 1.791 -10.032 1.00 0.24 H new ATOM 0 HB3 PHE A 48 3.217 2.938 -10.766 1.00 0.24 H new ATOM 0 HD1 PHE A 48 2.383 1.682 -7.330 1.00 72.30 H new ATOM 0 HD2 PHE A 48 5.421 2.834 -10.083 1.00 42.52 H new ATOM 0 HE1 PHE A 48 4.102 1.085 -5.681 1.00 21.11 H new ATOM 0 HE2 PHE A 48 7.144 2.241 -8.435 1.00 23.11 H new ATOM 0 HZ PHE A 48 6.486 1.360 -6.230 1.00 23.11 H new ATOM 824 N ALA A 49 2.224 5.630 -10.943 1.00 44.13 N ATOM 825 CA ALA A 49 2.782 6.897 -11.401 1.00 23.54 C ATOM 826 C ALA A 49 2.295 8.055 -10.537 1.00 31.20 C ATOM 827 O ALA A 49 3.078 8.915 -10.137 1.00 33.24 O ATOM 828 CB ALA A 49 2.423 7.136 -12.860 1.00 25.31 C ATOM 0 H ALA A 49 1.633 5.158 -11.627 1.00 44.13 H new ATOM 0 HA ALA A 49 3.867 6.842 -11.311 1.00 23.54 H new ATOM 0 HB1 ALA A 49 2.846 8.085 -13.188 1.00 25.31 H new ATOM 0 HB2 ALA A 49 2.826 6.328 -13.471 1.00 25.31 H new ATOM 0 HB3 ALA A 49 1.339 7.166 -12.968 1.00 25.31 H new ATOM 834 N ASN A 50 0.996 8.071 -10.255 1.00 61.52 N ATOM 835 CA ASN A 50 0.404 9.125 -9.441 1.00 11.33 C ATOM 836 C ASN A 50 0.950 9.083 -8.016 1.00 54.23 C ATOM 837 O ASN A 50 0.918 10.083 -7.299 1.00 3.33 O ATOM 838 CB ASN A 50 -1.120 8.987 -9.419 1.00 43.43 C ATOM 839 CG ASN A 50 -1.744 9.246 -10.777 1.00 44.30 C ATOM 840 OD1 ASN A 50 -1.846 10.391 -11.216 1.00 53.52 O ATOM 841 ND2 ASN A 50 -2.163 8.180 -11.449 1.00 12.54 N ATOM 0 H ASN A 50 0.334 7.366 -10.578 1.00 61.52 H new ATOM 0 HA ASN A 50 0.669 10.085 -9.885 1.00 11.33 H new ATOM 0 HB2 ASN A 50 -1.386 7.984 -9.085 1.00 43.43 H new ATOM 0 HB3 ASN A 50 -1.535 9.686 -8.692 1.00 43.43 H new ATOM 0 HD21 ASN A 50 -2.590 8.292 -12.369 1.00 12.54 H new ATOM 0 HD22 ASN A 50 -2.058 7.249 -11.046 1.00 12.54 H new ATOM 848 N VAL A 51 1.452 7.920 -7.614 1.00 35.51 N ATOM 849 CA VAL A 51 2.006 7.748 -6.277 1.00 23.51 C ATOM 850 C VAL A 51 3.439 8.261 -6.206 1.00 44.23 C ATOM 851 O VAL A 51 3.828 8.916 -5.240 1.00 3.03 O ATOM 852 CB VAL A 51 1.980 6.269 -5.846 1.00 3.02 C ATOM 853 CG1 VAL A 51 2.991 6.019 -4.736 1.00 32.51 C ATOM 854 CG2 VAL A 51 0.581 5.867 -5.404 1.00 10.24 C ATOM 0 H VAL A 51 1.486 7.083 -8.196 1.00 35.51 H new ATOM 0 HA VAL A 51 1.382 8.329 -5.598 1.00 23.51 H new ATOM 0 HB VAL A 51 2.256 5.654 -6.703 1.00 3.02 H new ATOM 0 HG11 VAL A 51 2.959 4.969 -4.444 1.00 32.51 H new ATOM 0 HG12 VAL A 51 3.991 6.266 -5.092 1.00 32.51 H new ATOM 0 HG13 VAL A 51 2.748 6.642 -3.875 1.00 32.51 H new ATOM 0 HG21 VAL A 51 0.581 4.819 -5.103 1.00 10.24 H new ATOM 0 HG22 VAL A 51 0.274 6.486 -4.561 1.00 10.24 H new ATOM 0 HG23 VAL A 51 -0.116 6.007 -6.230 1.00 10.24 H new ATOM 864 N VAL A 52 4.222 7.960 -7.238 1.00 52.13 N ATOM 865 CA VAL A 52 5.613 8.393 -7.295 1.00 15.21 C ATOM 866 C VAL A 52 5.717 9.913 -7.239 1.00 45.41 C ATOM 867 O VAL A 52 6.635 10.460 -6.627 1.00 33.22 O ATOM 868 CB VAL A 52 6.306 7.888 -8.573 1.00 63.21 C ATOM 869 CG1 VAL A 52 7.795 8.202 -8.534 1.00 71.21 C ATOM 870 CG2 VAL A 52 6.073 6.395 -8.751 1.00 73.25 C ATOM 0 H VAL A 52 3.916 7.418 -8.046 1.00 52.13 H new ATOM 0 HA VAL A 52 6.114 7.965 -6.427 1.00 15.21 H new ATOM 0 HB VAL A 52 5.872 8.405 -9.429 1.00 63.21 H new ATOM 0 HG11 VAL A 52 8.268 7.837 -9.446 1.00 71.21 H new ATOM 0 HG12 VAL A 52 7.938 9.280 -8.457 1.00 71.21 H new ATOM 0 HG13 VAL A 52 8.247 7.714 -7.671 1.00 71.21 H new ATOM 0 HG21 VAL A 52 6.570 6.055 -9.660 1.00 73.25 H new ATOM 0 HG22 VAL A 52 6.478 5.859 -7.893 1.00 73.25 H new ATOM 0 HG23 VAL A 52 5.003 6.200 -8.828 1.00 73.25 H new ATOM 880 N ASN A 53 4.772 10.590 -7.882 1.00 53.30 N ATOM 881 CA ASN A 53 4.758 12.049 -7.906 1.00 23.12 C ATOM 882 C ASN A 53 4.549 12.613 -6.505 1.00 4.42 C ATOM 883 O ASN A 53 4.917 13.754 -6.222 1.00 63.33 O ATOM 884 CB ASN A 53 3.658 12.553 -8.841 1.00 30.03 C ATOM 885 CG ASN A 53 3.142 13.922 -8.441 1.00 31.34 C ATOM 886 OD1 ASN A 53 2.213 13.950 -7.493 1.00 33.42 O flip ATOM 887 ND2 ASN A 53 3.574 14.942 -8.978 1.00 21.14 N flip ATOM 0 H ASN A 53 4.006 10.152 -8.394 1.00 53.30 H new ATOM 0 HA ASN A 53 5.724 12.392 -8.276 1.00 23.12 H new ATOM 0 HB2 ASN A 53 4.043 12.596 -9.860 1.00 30.03 H new ATOM 0 HB3 ASN A 53 2.832 11.842 -8.842 1.00 30.03 H new ATOM 0 HD21 ASN A 53 4.288 14.873 -9.703 1.00 21.14 H new ATOM 0 HD22 ASN A 53 3.217 15.856 -8.698 1.00 21.14 H new ATOM 894 N VAL A 54 3.956 11.807 -5.630 1.00 44.31 N ATOM 895 CA VAL A 54 3.700 12.225 -4.257 1.00 14.13 C ATOM 896 C VAL A 54 4.978 12.197 -3.425 1.00 24.42 C ATOM 897 O VAL A 54 5.099 12.907 -2.427 1.00 73.44 O ATOM 898 CB VAL A 54 2.643 11.329 -3.585 1.00 20.25 C ATOM 899 CG1 VAL A 54 2.715 11.460 -2.071 1.00 64.25 C ATOM 900 CG2 VAL A 54 1.251 11.676 -4.092 1.00 4.35 C ATOM 0 H VAL A 54 3.644 10.861 -5.848 1.00 44.31 H new ATOM 0 HA VAL A 54 3.323 13.247 -4.303 1.00 14.13 H new ATOM 0 HB VAL A 54 2.853 10.292 -3.846 1.00 20.25 H new ATOM 0 HG11 VAL A 54 1.961 10.820 -1.614 1.00 64.25 H new ATOM 0 HG12 VAL A 54 3.704 11.158 -1.726 1.00 64.25 H new ATOM 0 HG13 VAL A 54 2.532 12.496 -1.786 1.00 64.25 H new ATOM 0 HG21 VAL A 54 0.516 11.033 -3.607 1.00 4.35 H new ATOM 0 HG22 VAL A 54 1.029 12.718 -3.862 1.00 4.35 H new ATOM 0 HG23 VAL A 54 1.209 11.525 -5.171 1.00 4.35 H new ATOM 910 N CYS A 55 5.930 11.369 -3.843 1.00 70.55 N ATOM 911 CA CYS A 55 7.200 11.246 -3.138 1.00 24.21 C ATOM 912 C CYS A 55 8.156 12.366 -3.538 1.00 55.45 C ATOM 913 O CYS A 55 9.352 12.305 -3.262 1.00 2.44 O ATOM 914 CB CYS A 55 7.840 9.887 -3.431 1.00 13.10 C ATOM 915 SG CYS A 55 6.689 8.481 -3.301 1.00 62.40 S ATOM 0 H CYS A 55 5.846 10.773 -4.667 1.00 70.55 H new ATOM 0 HA CYS A 55 7.002 11.325 -2.069 1.00 24.21 H new ATOM 0 HB2 CYS A 55 8.263 9.905 -4.436 1.00 13.10 H new ATOM 0 HB3 CYS A 55 8.668 9.730 -2.740 1.00 13.10 H new ATOM 920 N GLY A 56 7.616 13.391 -4.192 1.00 71.41 N ATOM 921 CA GLY A 56 8.433 14.511 -4.620 1.00 3.20 C ATOM 922 C GLY A 56 8.137 15.777 -3.841 1.00 53.02 C ATOM 923 O GLY A 56 8.955 16.694 -3.798 1.00 4.14 O ATOM 0 H GLY A 56 6.628 13.465 -4.433 1.00 71.41 H new ATOM 0 HA2 GLY A 56 9.486 14.254 -4.503 1.00 3.20 H new ATOM 0 HA3 GLY A 56 8.266 14.694 -5.681 1.00 3.20 H new ATOM 927 N ASN A 57 6.960 15.829 -3.225 1.00 22.40 N ATOM 928 CA ASN A 57 6.555 16.992 -2.446 1.00 50.34 C ATOM 929 C ASN A 57 7.352 17.082 -1.149 1.00 40.42 C ATOM 930 O ASN A 57 8.004 16.122 -0.742 1.00 31.53 O ATOM 931 CB ASN A 57 5.058 16.929 -2.135 1.00 5.30 C ATOM 932 CG ASN A 57 4.575 15.510 -1.906 1.00 3.24 C ATOM 933 OD1 ASN A 57 5.033 14.826 -0.990 1.00 2.20 O ATOM 934 ND2 ASN A 57 3.646 15.059 -2.740 1.00 12.24 N ATOM 0 H ASN A 57 6.270 15.078 -3.251 1.00 22.40 H new ATOM 0 HA ASN A 57 6.758 17.884 -3.039 1.00 50.34 H new ATOM 0 HB2 ASN A 57 4.848 17.529 -1.249 1.00 5.30 H new ATOM 0 HB3 ASN A 57 4.499 17.372 -2.960 1.00 5.30 H new ATOM 0 HD21 ASN A 57 3.284 14.111 -2.635 1.00 12.24 H new ATOM 0 HD22 ASN A 57 3.295 15.660 -3.485 1.00 12.24 H new ATOM 941 N GLN A 58 7.295 18.244 -0.505 1.00 42.21 N ATOM 942 CA GLN A 58 8.013 18.459 0.746 1.00 33.21 C ATOM 943 C GLN A 58 7.809 17.286 1.699 1.00 31.25 C ATOM 944 O GLN A 58 6.723 17.100 2.248 1.00 53.24 O ATOM 945 CB GLN A 58 7.547 19.757 1.409 1.00 40.32 C ATOM 946 CG GLN A 58 8.365 20.145 2.629 1.00 4.42 C ATOM 947 CD GLN A 58 9.845 20.266 2.325 1.00 23.22 C ATOM 948 OE1 GLN A 58 10.543 19.136 2.317 1.00 52.11 O flip ATOM 949 NE2 GLN A 58 10.357 21.363 2.100 1.00 32.53 N flip ATOM 0 H GLN A 58 6.760 19.050 -0.829 1.00 42.21 H new ATOM 0 HA GLN A 58 9.076 18.537 0.517 1.00 33.21 H new ATOM 0 HB2 GLN A 58 7.593 20.565 0.679 1.00 40.32 H new ATOM 0 HB3 GLN A 58 6.502 19.651 1.701 1.00 40.32 H new ATOM 0 HG2 GLN A 58 7.999 21.095 3.020 1.00 4.42 H new ATOM 0 HG3 GLN A 58 8.218 19.401 3.412 1.00 4.42 H new ATOM 0 HE21 GLN A 58 9.784 22.206 2.116 1.00 32.53 H new ATOM 0 HE22 GLN A 58 11.355 21.428 1.897 1.00 32.53 H new ATOM 958 N SER A 59 8.861 16.497 1.891 1.00 33.03 N ATOM 959 CA SER A 59 8.796 15.338 2.775 1.00 74.11 C ATOM 960 C SER A 59 8.614 15.773 4.227 1.00 64.31 C ATOM 961 O SER A 59 8.955 16.896 4.597 1.00 73.13 O ATOM 962 CB SER A 59 10.065 14.494 2.638 1.00 13.31 C ATOM 963 OG SER A 59 11.224 15.276 2.868 1.00 32.03 O ATOM 0 H SER A 59 9.768 16.639 1.447 1.00 33.03 H new ATOM 0 HA SER A 59 7.935 14.736 2.483 1.00 74.11 H new ATOM 0 HB2 SER A 59 10.034 13.667 3.347 1.00 13.31 H new ATOM 0 HB3 SER A 59 10.109 14.057 1.640 1.00 13.31 H new ATOM 0 HG SER A 59 12.021 14.714 2.776 1.00 32.03 H new ATOM 969 N ILE A 60 8.076 14.873 5.043 1.00 13.11 N ATOM 970 CA ILE A 60 7.850 15.161 6.454 1.00 12.23 C ATOM 971 C ILE A 60 8.160 13.945 7.320 1.00 73.42 C ATOM 972 O ILE A 60 8.572 12.900 6.817 1.00 60.45 O ATOM 973 CB ILE A 60 6.397 15.605 6.712 1.00 44.12 C ATOM 974 CG1 ILE A 60 5.454 14.954 5.699 1.00 65.44 C ATOM 975 CG2 ILE A 60 6.288 17.121 6.648 1.00 20.01 C ATOM 976 CD1 ILE A 60 4.061 14.715 6.237 1.00 60.40 C ATOM 0 H ILE A 60 7.789 13.939 4.752 1.00 13.11 H new ATOM 0 HA ILE A 60 8.523 15.975 6.722 1.00 12.23 H new ATOM 0 HB ILE A 60 6.105 15.281 7.711 1.00 44.12 H new ATOM 0 HG12 ILE A 60 5.389 15.589 4.815 1.00 65.44 H new ATOM 0 HG13 ILE A 60 5.879 14.003 5.378 1.00 65.44 H new ATOM 0 HG21 ILE A 60 5.256 17.420 6.832 1.00 20.01 H new ATOM 0 HG22 ILE A 60 6.935 17.565 7.405 1.00 20.01 H new ATOM 0 HG23 ILE A 60 6.595 17.467 5.661 1.00 20.01 H new ATOM 0 HD11 ILE A 60 3.447 14.251 5.465 1.00 60.40 H new ATOM 0 HD12 ILE A 60 4.114 14.056 7.103 1.00 60.40 H new ATOM 0 HD13 ILE A 60 3.617 15.666 6.531 1.00 60.40 H new ATOM 988 N ARG A 61 7.956 14.088 8.625 1.00 4.34 N ATOM 989 CA ARG A 61 8.213 13.001 9.562 1.00 1.43 C ATOM 990 C ARG A 61 7.085 11.976 9.528 1.00 31.54 C ATOM 991 O ARG A 61 5.913 12.320 9.690 1.00 3.24 O ATOM 992 CB ARG A 61 8.376 13.550 10.982 1.00 51.03 C ATOM 993 CG ARG A 61 7.154 14.300 11.488 1.00 22.43 C ATOM 994 CD ARG A 61 7.523 15.297 12.575 1.00 23.22 C ATOM 995 NE ARG A 61 8.228 16.458 12.036 1.00 23.50 N ATOM 996 CZ ARG A 61 8.433 17.576 12.722 1.00 34.12 C ATOM 997 NH1 ARG A 61 7.990 17.685 13.967 1.00 15.31 N ATOM 998 NH2 ARG A 61 9.082 18.589 12.162 1.00 32.12 N ATOM 0 H ARG A 61 7.614 14.946 9.058 1.00 4.34 H new ATOM 0 HA ARG A 61 9.138 12.508 9.262 1.00 1.43 H new ATOM 0 HB2 ARG A 61 8.591 12.724 11.660 1.00 51.03 H new ATOM 0 HB3 ARG A 61 9.238 14.217 11.008 1.00 51.03 H new ATOM 0 HG2 ARG A 61 6.678 14.824 10.659 1.00 22.43 H new ATOM 0 HG3 ARG A 61 6.425 13.589 11.877 1.00 22.43 H new ATOM 0 HD2 ARG A 61 6.619 15.627 13.086 1.00 23.22 H new ATOM 0 HD3 ARG A 61 8.149 14.806 13.320 1.00 23.22 H new ATOM 0 HE ARG A 61 8.582 16.407 11.081 1.00 23.50 H new ATOM 0 HH11 ARG A 61 7.490 16.909 14.400 1.00 15.31 H new ATOM 0 HH12 ARG A 61 8.149 18.545 14.491 1.00 15.31 H new ATOM 0 HH21 ARG A 61 9.423 18.509 11.204 1.00 32.12 H new ATOM 0 HH22 ARG A 61 9.239 19.448 12.689 1.00 32.12 H new ATOM 1012 N CYS A 62 7.444 10.715 9.316 1.00 33.50 N ATOM 1013 CA CYS A 62 6.462 9.638 9.259 1.00 43.02 C ATOM 1014 C CYS A 62 6.101 9.157 10.661 1.00 70.11 C ATOM 1015 O CYS A 62 6.876 9.288 11.608 1.00 22.13 O ATOM 1016 CB CYS A 62 7.002 8.471 8.431 1.00 34.30 C ATOM 1017 SG CYS A 62 6.551 8.539 6.667 1.00 45.44 S ATOM 0 H CYS A 62 8.409 10.413 9.181 1.00 33.50 H new ATOM 0 HA CYS A 62 5.561 10.026 8.784 1.00 43.02 H new ATOM 0 HB2 CYS A 62 8.088 8.451 8.517 1.00 34.30 H new ATOM 0 HB3 CYS A 62 6.631 7.537 8.854 1.00 34.30 H new ATOM 1022 N PRO A 63 4.895 8.586 10.798 1.00 10.14 N ATOM 1023 CA PRO A 63 4.402 8.073 12.081 1.00 43.43 C ATOM 1024 C PRO A 63 5.153 6.825 12.531 1.00 4.13 C ATOM 1025 O PRO A 63 5.370 6.616 13.726 1.00 21.33 O ATOM 1026 CB PRO A 63 2.937 7.740 11.790 1.00 12.14 C ATOM 1027 CG PRO A 63 2.890 7.487 10.324 1.00 74.24 C ATOM 1028 CD PRO A 63 3.919 8.397 9.712 1.00 32.21 C ATOM 0 HA PRO A 63 4.537 8.793 12.888 1.00 43.43 H new ATOM 0 HB2 PRO A 63 2.610 6.866 12.353 1.00 12.14 H new ATOM 0 HB3 PRO A 63 2.281 8.564 12.071 1.00 12.14 H new ATOM 0 HG2 PRO A 63 3.111 6.443 10.101 1.00 74.24 H new ATOM 0 HG3 PRO A 63 1.898 7.695 9.924 1.00 74.24 H new ATOM 0 HD2 PRO A 63 4.379 7.949 8.831 1.00 32.21 H new ATOM 0 HD3 PRO A 63 3.481 9.344 9.396 1.00 32.21 H new ATOM 1036 N HIS A 64 5.549 5.998 11.569 1.00 23.13 N ATOM 1037 CA HIS A 64 6.277 4.769 11.868 1.00 5.10 C ATOM 1038 C HIS A 64 7.655 5.081 12.445 1.00 52.31 C ATOM 1039 O HIS A 64 8.245 4.260 13.146 1.00 24.33 O ATOM 1040 CB HIS A 64 6.421 3.917 10.607 1.00 32.11 C ATOM 1041 CG HIS A 64 7.605 3.001 10.634 1.00 5.05 C ATOM 1042 ND1 HIS A 64 8.438 2.815 9.551 1.00 3.31 N ATOM 1043 CD2 HIS A 64 8.097 2.219 11.624 1.00 70.40 C ATOM 1044 CE1 HIS A 64 9.390 1.956 9.872 1.00 54.01 C ATOM 1045 NE2 HIS A 64 9.206 1.579 11.124 1.00 13.34 N ATOM 0 H HIS A 64 5.378 6.156 10.576 1.00 23.13 H new ATOM 0 HA HIS A 64 5.708 4.211 12.612 1.00 5.10 H new ATOM 0 HB2 HIS A 64 5.516 3.324 10.474 1.00 32.11 H new ATOM 0 HB3 HIS A 64 6.501 4.575 9.741 1.00 32.11 H new ATOM 0 HD2 HIS A 64 7.693 2.117 12.621 1.00 70.40 H new ATOM 0 HE1 HIS A 64 10.183 1.620 9.221 1.00 54.01 H new ATOM 0 HE2 HIS A 64 9.792 0.920 11.637 1.00 13.34 H new ATOM 1054 N ASN A 65 8.161 6.272 12.144 1.00 11.31 N ATOM 1055 CA ASN A 65 9.469 6.692 12.633 1.00 44.03 C ATOM 1056 C ASN A 65 9.481 8.185 12.944 1.00 5.15 C ATOM 1057 O ASN A 65 9.318 9.017 12.052 1.00 13.41 O ATOM 1058 CB ASN A 65 10.550 6.367 11.599 1.00 65.13 C ATOM 1059 CG ASN A 65 10.206 5.147 10.766 1.00 4.34 C ATOM 1060 OD1 ASN A 65 10.300 4.013 11.239 1.00 41.31 O ATOM 1061 ND2 ASN A 65 9.807 5.374 9.521 1.00 13.23 N ATOM 0 H ASN A 65 7.685 6.963 11.564 1.00 11.31 H new ATOM 0 HA ASN A 65 9.678 6.146 13.553 1.00 44.03 H new ATOM 0 HB2 ASN A 65 10.689 7.225 10.941 1.00 65.13 H new ATOM 0 HB3 ASN A 65 11.498 6.199 12.109 1.00 65.13 H new ATOM 0 HD21 ASN A 65 9.563 4.592 8.913 1.00 13.23 H new ATOM 0 HD22 ASN A 65 9.744 6.330 9.172 1.00 13.23 H new ATOM 1068 N ARG A 66 9.676 8.517 14.217 1.00 51.11 N ATOM 1069 CA ARG A 66 9.708 9.909 14.647 1.00 51.13 C ATOM 1070 C ARG A 66 11.059 10.545 14.332 1.00 71.50 C ATOM 1071 O ARG A 66 11.364 11.644 14.797 1.00 41.14 O ATOM 1072 CB ARG A 66 9.423 10.009 16.146 1.00 22.55 C ATOM 1073 CG ARG A 66 10.662 9.864 17.013 1.00 42.41 C ATOM 1074 CD ARG A 66 10.324 9.965 18.493 1.00 53.44 C ATOM 1075 NE ARG A 66 9.442 8.886 18.927 1.00 72.15 N ATOM 1076 CZ ARG A 66 9.301 8.517 20.196 1.00 55.43 C ATOM 1077 NH1 ARG A 66 9.979 9.140 21.149 1.00 42.32 N ATOM 1078 NH2 ARG A 66 8.478 7.525 20.512 1.00 44.45 N ATOM 0 H ARG A 66 9.814 7.840 14.968 1.00 51.11 H new ATOM 0 HA ARG A 66 8.935 10.449 14.100 1.00 51.13 H new ATOM 0 HB2 ARG A 66 8.955 10.971 16.355 1.00 22.55 H new ATOM 0 HB3 ARG A 66 8.704 9.238 16.423 1.00 22.55 H new ATOM 0 HG2 ARG A 66 11.137 8.904 16.812 1.00 42.41 H new ATOM 0 HG3 ARG A 66 11.383 10.638 16.750 1.00 42.41 H new ATOM 0 HD2 ARG A 66 11.244 9.939 19.078 1.00 53.44 H new ATOM 0 HD3 ARG A 66 9.847 10.925 18.691 1.00 53.44 H new ATOM 0 HE ARG A 66 8.904 8.388 18.218 1.00 72.15 H new ATOM 0 HH11 ARG A 66 10.610 9.904 20.909 1.00 42.32 H new ATOM 0 HH12 ARG A 66 9.869 8.855 22.122 1.00 42.32 H new ATOM 0 HH21 ARG A 66 7.953 7.045 19.781 1.00 44.45 H new ATOM 0 HH22 ARG A 66 8.370 7.242 21.486 1.00 44.45 H new ATOM 1092 N THR A 67 11.866 9.845 13.540 1.00 54.52 N ATOM 1093 CA THR A 67 13.184 10.339 13.164 1.00 4.34 C ATOM 1094 C THR A 67 13.437 10.155 11.672 1.00 35.25 C ATOM 1095 O THR A 67 14.122 10.962 11.044 1.00 71.24 O ATOM 1096 CB THR A 67 14.298 9.625 13.953 1.00 0.23 C ATOM 1097 OG1 THR A 67 15.582 10.065 13.497 1.00 14.35 O ATOM 1098 CG2 THR A 67 14.189 8.115 13.796 1.00 14.53 C ATOM 0 H THR A 67 11.629 8.934 13.147 1.00 54.52 H new ATOM 0 HA THR A 67 13.202 11.402 13.404 1.00 4.34 H new ATOM 0 HB THR A 67 14.183 9.875 15.008 1.00 0.23 H new ATOM 0 HG1 THR A 67 16.284 9.607 14.005 1.00 14.35 H new ATOM 0 HG21 THR A 67 14.986 7.632 14.362 1.00 14.53 H new ATOM 0 HG22 THR A 67 13.222 7.779 14.171 1.00 14.53 H new ATOM 0 HG23 THR A 67 14.281 7.851 12.742 1.00 14.53 H new ATOM 1106 N LEU A 68 12.878 9.089 11.111 1.00 70.22 N ATOM 1107 CA LEU A 68 13.041 8.799 9.690 1.00 1.44 C ATOM 1108 C LEU A 68 12.345 9.853 8.835 1.00 12.10 C ATOM 1109 O LEU A 68 11.141 10.072 8.960 1.00 21.34 O ATOM 1110 CB LEU A 68 12.483 7.413 9.365 1.00 63.51 C ATOM 1111 CG LEU A 68 13.159 6.670 8.212 1.00 24.22 C ATOM 1112 CD1 LEU A 68 12.785 5.196 8.234 1.00 62.11 C ATOM 1113 CD2 LEU A 68 12.782 7.298 6.879 1.00 53.54 C ATOM 0 H LEU A 68 12.308 8.411 11.617 1.00 70.22 H new ATOM 0 HA LEU A 68 14.106 8.818 9.461 1.00 1.44 H new ATOM 0 HB2 LEU A 68 12.555 6.795 10.260 1.00 63.51 H new ATOM 0 HB3 LEU A 68 11.423 7.516 9.133 1.00 63.51 H new ATOM 0 HG LEU A 68 14.239 6.751 8.337 1.00 24.22 H new ATOM 0 HD11 LEU A 68 13.275 4.684 7.406 1.00 62.11 H new ATOM 0 HD12 LEU A 68 13.107 4.753 9.177 1.00 62.11 H new ATOM 0 HD13 LEU A 68 11.704 5.093 8.135 1.00 62.11 H new ATOM 0 HD21 LEU A 68 13.272 6.756 6.070 1.00 53.54 H new ATOM 0 HD22 LEU A 68 11.701 7.249 6.746 1.00 53.54 H new ATOM 0 HD23 LEU A 68 13.102 8.340 6.864 1.00 53.54 H new ATOM 1125 N ASN A 69 13.112 10.502 7.965 1.00 53.40 N ATOM 1126 CA ASN A 69 12.568 11.533 7.088 1.00 54.45 C ATOM 1127 C ASN A 69 12.893 11.232 5.629 1.00 51.24 C ATOM 1128 O ASN A 69 13.674 11.943 4.997 1.00 54.22 O ATOM 1129 CB ASN A 69 13.124 12.906 7.474 1.00 33.52 C ATOM 1130 CG ASN A 69 14.634 12.899 7.615 1.00 60.15 C ATOM 1131 OD1 ASN A 69 15.181 12.269 8.520 1.00 72.11 O ATOM 1132 ND2 ASN A 69 15.315 13.603 6.719 1.00 70.24 N ATOM 0 H ASN A 69 14.111 10.333 7.848 1.00 53.40 H new ATOM 0 HA ASN A 69 11.484 11.541 7.206 1.00 54.45 H new ATOM 0 HB2 ASN A 69 12.836 13.637 6.719 1.00 33.52 H new ATOM 0 HB3 ASN A 69 12.675 13.225 8.415 1.00 33.52 H new ATOM 0 HD21 ASN A 69 16.333 13.637 6.764 1.00 70.24 H new ATOM 0 HD22 ASN A 69 14.820 14.110 5.986 1.00 70.24 H new ATOM 1139 N ASN A 70 12.289 10.173 5.099 1.00 72.10 N ATOM 1140 CA ASN A 70 12.514 9.777 3.714 1.00 41.31 C ATOM 1141 C ASN A 70 11.196 9.446 3.022 1.00 73.14 C ATOM 1142 O ASN A 70 11.174 8.769 1.994 1.00 64.42 O ATOM 1143 CB ASN A 70 13.452 8.570 3.652 1.00 2.21 C ATOM 1144 CG ASN A 70 14.880 8.929 4.020 1.00 64.40 C ATOM 1145 OD1 ASN A 70 15.160 10.048 4.448 1.00 5.01 O ATOM 1146 ND2 ASN A 70 15.790 7.976 3.852 1.00 71.30 N ATOM 0 H ASN A 70 11.640 9.574 5.608 1.00 72.10 H new ATOM 0 HA ASN A 70 12.977 10.616 3.194 1.00 41.31 H new ATOM 0 HB2 ASN A 70 13.089 7.796 4.328 1.00 2.21 H new ATOM 0 HB3 ASN A 70 13.433 8.150 2.646 1.00 2.21 H new ATOM 0 HD21 ASN A 70 16.767 8.158 4.081 1.00 71.30 H new ATOM 0 HD22 ASN A 70 15.512 7.062 3.494 1.00 71.30 H new ATOM 1153 N CYS A 71 10.097 9.930 3.591 1.00 3.43 N ATOM 1154 CA CYS A 71 8.774 9.687 3.030 1.00 60.32 C ATOM 1155 C CYS A 71 8.087 11.000 2.667 1.00 73.33 C ATOM 1156 O CYS A 71 8.590 12.082 2.973 1.00 42.33 O ATOM 1157 CB CYS A 71 7.912 8.905 4.023 1.00 13.31 C ATOM 1158 SG CYS A 71 8.029 9.502 5.740 1.00 61.41 S ATOM 0 H CYS A 71 10.097 10.493 4.441 1.00 3.43 H new ATOM 0 HA CYS A 71 8.895 9.098 2.121 1.00 60.32 H new ATOM 0 HB2 CYS A 71 6.871 8.955 3.702 1.00 13.31 H new ATOM 0 HB3 CYS A 71 8.205 7.855 3.994 1.00 13.31 H new ATOM 1163 N HIS A 72 6.935 10.898 2.013 1.00 73.34 N ATOM 1164 CA HIS A 72 6.178 12.078 1.608 1.00 34.41 C ATOM 1165 C HIS A 72 4.679 11.792 1.623 1.00 74.30 C ATOM 1166 O HIS A 72 4.254 10.648 1.466 1.00 20.32 O ATOM 1167 CB HIS A 72 6.608 12.533 0.214 1.00 42.31 C ATOM 1168 CG HIS A 72 8.036 12.210 -0.108 1.00 34.34 C ATOM 1169 ND1 HIS A 72 8.742 11.067 0.052 1.00 43.00 N flip ATOM 1170 CD2 HIS A 72 8.907 13.124 -0.661 1.00 61.13 C flip ATOM 1171 CE1 HIS A 72 10.015 11.307 -0.405 1.00 32.33 C flip ATOM 1172 NE2 HIS A 72 10.088 12.556 -0.830 1.00 34.20 N flip ATOM 0 H HIS A 72 6.505 10.011 1.752 1.00 73.34 H new ATOM 0 HA HIS A 72 6.386 12.875 2.322 1.00 34.41 H new ATOM 0 HB2 HIS A 72 5.962 12.064 -0.528 1.00 42.31 H new ATOM 0 HB3 HIS A 72 6.460 13.610 0.130 1.00 42.31 H new ATOM 0 HD2 HIS A 72 8.662 14.145 -0.916 1.00 61.13 H new ATOM 0 HE1 HIS A 72 10.824 10.592 -0.415 1.00 32.33 H new ATOM 0 HE2 HIS A 72 10.916 13.005 -1.222 1.00 34.20 H new ATOM 1181 N ARG A 73 3.884 12.840 1.812 1.00 33.12 N ATOM 1182 CA ARG A 73 2.433 12.701 1.849 1.00 52.30 C ATOM 1183 C ARG A 73 1.807 13.192 0.547 1.00 63.04 C ATOM 1184 O ARG A 73 2.261 14.174 -0.041 1.00 32.43 O ATOM 1185 CB ARG A 73 1.855 13.482 3.030 1.00 13.11 C ATOM 1186 CG ARG A 73 0.424 13.100 3.371 1.00 13.23 C ATOM 1187 CD ARG A 73 -0.325 14.258 4.010 1.00 14.23 C ATOM 1188 NE ARG A 73 -0.320 15.448 3.164 1.00 54.13 N ATOM 1189 CZ ARG A 73 -1.058 16.526 3.406 1.00 71.41 C ATOM 1190 NH1 ARG A 73 -1.857 16.563 4.463 1.00 0.33 N ATOM 1191 NH2 ARG A 73 -0.998 17.570 2.588 1.00 72.24 N ATOM 0 H ARG A 73 4.220 13.794 1.942 1.00 33.12 H new ATOM 0 HA ARG A 73 2.197 11.644 1.970 1.00 52.30 H new ATOM 0 HB2 ARG A 73 2.484 13.319 3.905 1.00 13.11 H new ATOM 0 HB3 ARG A 73 1.894 14.548 2.804 1.00 13.11 H new ATOM 0 HG2 ARG A 73 -0.095 12.785 2.466 1.00 13.23 H new ATOM 0 HG3 ARG A 73 0.426 12.248 4.050 1.00 13.23 H new ATOM 0 HD2 ARG A 73 -1.354 13.959 4.208 1.00 14.23 H new ATOM 0 HD3 ARG A 73 0.128 14.496 4.972 1.00 14.23 H new ATOM 0 HE ARG A 73 0.283 15.452 2.342 1.00 54.13 H new ATOM 0 HH11 ARG A 73 -1.906 15.762 5.093 1.00 0.33 H new ATOM 0 HH12 ARG A 73 -2.422 17.392 4.646 1.00 0.33 H new ATOM 0 HH21 ARG A 73 -0.385 17.545 1.773 1.00 72.24 H new ATOM 0 HH22 ARG A 73 -1.565 18.397 2.774 1.00 72.24 H new ATOM 1205 N SER A 74 0.763 12.501 0.100 1.00 31.44 N ATOM 1206 CA SER A 74 0.077 12.862 -1.134 1.00 44.10 C ATOM 1207 C SER A 74 -0.604 14.221 -1.000 1.00 41.01 C ATOM 1208 O SER A 74 -1.578 14.368 -0.261 1.00 43.01 O ATOM 1209 CB SER A 74 -0.956 11.795 -1.501 1.00 52.31 C ATOM 1210 OG SER A 74 -2.219 12.090 -0.928 1.00 65.34 O ATOM 0 H SER A 74 0.374 11.687 0.575 1.00 31.44 H new ATOM 0 HA SER A 74 0.821 12.924 -1.928 1.00 44.10 H new ATOM 0 HB2 SER A 74 -1.050 11.733 -2.585 1.00 52.31 H new ATOM 0 HB3 SER A 74 -0.615 10.819 -1.155 1.00 52.31 H new ATOM 0 HG SER A 74 -2.102 12.715 -0.183 1.00 65.34 H new ATOM 1216 N ARG A 75 -0.084 15.210 -1.719 1.00 34.30 N ATOM 1217 CA ARG A 75 -0.641 16.557 -1.680 1.00 13.31 C ATOM 1218 C ARG A 75 -2.106 16.553 -2.105 1.00 20.33 C ATOM 1219 O ARG A 75 -2.919 17.312 -1.577 1.00 62.33 O ATOM 1220 CB ARG A 75 0.163 17.490 -2.588 1.00 75.43 C ATOM 1221 CG ARG A 75 -0.082 17.256 -4.070 1.00 3.35 C ATOM 1222 CD ARG A 75 0.992 17.915 -4.922 1.00 22.23 C ATOM 1223 NE ARG A 75 1.063 19.355 -4.696 1.00 71.02 N ATOM 1224 CZ ARG A 75 2.106 20.103 -5.040 1.00 11.33 C ATOM 1225 NH1 ARG A 75 3.160 19.549 -5.621 1.00 64.41 N ATOM 1226 NH2 ARG A 75 2.095 21.408 -4.801 1.00 40.15 N ATOM 0 H ARG A 75 0.722 15.104 -2.335 1.00 34.30 H new ATOM 0 HA ARG A 75 -0.581 16.919 -0.654 1.00 13.31 H new ATOM 0 HB2 ARG A 75 -0.086 18.523 -2.346 1.00 75.43 H new ATOM 0 HB3 ARG A 75 1.225 17.361 -2.379 1.00 75.43 H new ATOM 0 HG2 ARG A 75 -0.102 16.185 -4.272 1.00 3.35 H new ATOM 0 HG3 ARG A 75 -1.060 17.651 -4.345 1.00 3.35 H new ATOM 0 HD2 ARG A 75 1.959 17.465 -4.698 1.00 22.23 H new ATOM 0 HD3 ARG A 75 0.787 17.723 -5.975 1.00 22.23 H new ATOM 0 HE ARG A 75 0.268 19.812 -4.249 1.00 71.02 H new ATOM 0 HH11 ARG A 75 3.172 18.546 -5.805 1.00 64.41 H new ATOM 0 HH12 ARG A 75 3.959 20.126 -5.884 1.00 64.41 H new ATOM 0 HH21 ARG A 75 1.286 21.838 -4.353 1.00 40.15 H new ATOM 0 HH22 ARG A 75 2.896 21.982 -5.065 1.00 40.15 H new ATOM 1240 N PHE A 76 -2.437 15.693 -3.063 1.00 2.44 N ATOM 1241 CA PHE A 76 -3.803 15.591 -3.561 1.00 13.14 C ATOM 1242 C PHE A 76 -4.517 14.389 -2.948 1.00 24.24 C ATOM 1243 O PHE A 76 -3.934 13.314 -2.807 1.00 64.35 O ATOM 1244 CB PHE A 76 -3.806 15.477 -5.086 1.00 22.33 C ATOM 1245 CG PHE A 76 -3.655 16.797 -5.787 1.00 12.35 C ATOM 1246 CD1 PHE A 76 -4.684 17.724 -5.775 1.00 14.41 C ATOM 1247 CD2 PHE A 76 -2.484 17.110 -6.457 1.00 42.51 C ATOM 1248 CE1 PHE A 76 -4.549 18.940 -6.417 1.00 4.00 C ATOM 1249 CE2 PHE A 76 -2.342 18.325 -7.102 1.00 0.23 C ATOM 1250 CZ PHE A 76 -3.376 19.240 -7.082 1.00 51.11 C ATOM 0 H PHE A 76 -1.777 15.057 -3.510 1.00 2.44 H new ATOM 0 HA PHE A 76 -4.337 16.496 -3.271 1.00 13.14 H new ATOM 0 HB2 PHE A 76 -2.996 14.816 -5.394 1.00 22.33 H new ATOM 0 HB3 PHE A 76 -4.737 15.010 -5.405 1.00 22.33 H new ATOM 0 HD1 PHE A 76 -5.603 17.493 -5.257 1.00 14.41 H new ATOM 0 HD2 PHE A 76 -1.673 16.397 -6.476 1.00 42.51 H new ATOM 0 HE1 PHE A 76 -5.359 19.654 -6.399 1.00 4.00 H new ATOM 0 HE2 PHE A 76 -1.424 18.558 -7.621 1.00 0.23 H new ATOM 0 HZ PHE A 76 -3.268 20.189 -7.586 1.00 51.11 H new ATOM 1260 N ARG A 77 -5.781 14.581 -2.586 1.00 22.44 N ATOM 1261 CA ARG A 77 -6.573 13.513 -1.986 1.00 74.34 C ATOM 1262 C ARG A 77 -7.067 12.539 -3.053 1.00 35.24 C ATOM 1263 O ARG A 77 -7.394 12.938 -4.170 1.00 40.01 O ATOM 1264 CB ARG A 77 -7.764 14.099 -1.225 1.00 52.42 C ATOM 1265 CG ARG A 77 -7.462 14.408 0.232 1.00 35.14 C ATOM 1266 CD ARG A 77 -8.732 14.441 1.068 1.00 31.55 C ATOM 1267 NE ARG A 77 -9.573 15.590 0.742 1.00 1.22 N ATOM 1268 CZ ARG A 77 -10.696 15.885 1.388 1.00 70.24 C ATOM 1269 NH1 ARG A 77 -11.111 15.120 2.388 1.00 42.20 N ATOM 1270 NH2 ARG A 77 -11.406 16.948 1.032 1.00 33.25 N ATOM 0 H ARG A 77 -6.278 15.464 -2.697 1.00 22.44 H new ATOM 0 HA ARG A 77 -5.936 12.969 -1.288 1.00 74.34 H new ATOM 0 HB2 ARG A 77 -8.088 15.013 -1.722 1.00 52.42 H new ATOM 0 HB3 ARG A 77 -8.597 13.397 -1.274 1.00 52.42 H new ATOM 0 HG2 ARG A 77 -6.781 13.656 0.631 1.00 35.14 H new ATOM 0 HG3 ARG A 77 -6.953 15.369 0.304 1.00 35.14 H new ATOM 0 HD2 ARG A 77 -9.296 13.522 0.907 1.00 31.55 H new ATOM 0 HD3 ARG A 77 -8.469 14.473 2.125 1.00 31.55 H new ATOM 0 HE ARG A 77 -9.282 16.199 -0.023 1.00 1.22 H new ATOM 0 HH11 ARG A 77 -10.568 14.302 2.664 1.00 42.20 H new ATOM 0 HH12 ARG A 77 -11.974 15.349 2.882 1.00 42.20 H new ATOM 0 HH21 ARG A 77 -11.090 17.538 0.263 1.00 33.25 H new ATOM 0 HH22 ARG A 77 -12.268 17.175 1.528 1.00 33.25 H new ATOM 1284 N VAL A 78 -7.118 11.258 -2.698 1.00 74.24 N ATOM 1285 CA VAL A 78 -7.573 10.227 -3.623 1.00 52.12 C ATOM 1286 C VAL A 78 -8.375 9.154 -2.898 1.00 23.45 C ATOM 1287 O VAL A 78 -8.182 8.895 -1.709 1.00 62.32 O ATOM 1288 CB VAL A 78 -6.388 9.565 -4.351 1.00 24.34 C ATOM 1289 CG1 VAL A 78 -5.324 10.596 -4.689 1.00 5.34 C ATOM 1290 CG2 VAL A 78 -5.804 8.442 -3.504 1.00 31.30 C ATOM 0 H VAL A 78 -6.850 10.910 -1.777 1.00 74.24 H new ATOM 0 HA VAL A 78 -8.212 10.718 -4.357 1.00 52.12 H new ATOM 0 HB VAL A 78 -6.752 9.136 -5.284 1.00 24.34 H new ATOM 0 HG11 VAL A 78 -4.495 10.109 -5.203 1.00 5.34 H new ATOM 0 HG12 VAL A 78 -5.752 11.362 -5.336 1.00 5.34 H new ATOM 0 HG13 VAL A 78 -4.960 11.058 -3.771 1.00 5.34 H new ATOM 0 HG21 VAL A 78 -4.968 7.985 -4.033 1.00 31.30 H new ATOM 0 HG22 VAL A 78 -5.455 8.847 -2.554 1.00 31.30 H new ATOM 0 HG23 VAL A 78 -6.571 7.690 -3.318 1.00 31.30 H new ATOM 1300 N PRO A 79 -9.299 8.510 -3.628 1.00 63.00 N ATOM 1301 CA PRO A 79 -10.149 7.452 -3.075 1.00 14.02 C ATOM 1302 C PRO A 79 -9.366 6.180 -2.766 1.00 5.21 C ATOM 1303 O PRO A 79 -8.756 5.583 -3.655 1.00 35.00 O ATOM 1304 CB PRO A 79 -11.167 7.196 -4.189 1.00 44.12 C ATOM 1305 CG PRO A 79 -10.475 7.620 -5.438 1.00 61.01 C ATOM 1306 CD PRO A 79 -9.584 8.766 -5.049 1.00 43.34 C ATOM 0 HA PRO A 79 -10.599 7.745 -2.127 1.00 14.02 H new ATOM 0 HB2 PRO A 79 -11.452 6.145 -4.231 1.00 44.12 H new ATOM 0 HB3 PRO A 79 -12.081 7.768 -4.029 1.00 44.12 H new ATOM 0 HG2 PRO A 79 -9.894 6.800 -5.860 1.00 61.01 H new ATOM 0 HG3 PRO A 79 -11.194 7.925 -6.198 1.00 61.01 H new ATOM 0 HD2 PRO A 79 -8.671 8.785 -5.645 1.00 43.34 H new ATOM 0 HD3 PRO A 79 -10.079 9.726 -5.193 1.00 43.34 H new ATOM 1314 N LEU A 80 -9.386 5.771 -1.503 1.00 3.31 N ATOM 1315 CA LEU A 80 -8.677 4.568 -1.078 1.00 11.25 C ATOM 1316 C LEU A 80 -9.646 3.542 -0.498 1.00 22.02 C ATOM 1317 O LEU A 80 -10.835 3.818 -0.334 1.00 2.00 O ATOM 1318 CB LEU A 80 -7.610 4.922 -0.040 1.00 31.31 C ATOM 1319 CG LEU A 80 -8.114 5.586 1.242 1.00 4.15 C ATOM 1320 CD1 LEU A 80 -9.159 4.713 1.920 1.00 20.23 C ATOM 1321 CD2 LEU A 80 -6.956 5.866 2.188 1.00 23.23 C ATOM 0 H LEU A 80 -9.885 6.253 -0.755 1.00 3.31 H new ATOM 0 HA LEU A 80 -8.194 4.131 -1.952 1.00 11.25 H new ATOM 0 HB2 LEU A 80 -7.079 4.009 0.232 1.00 31.31 H new ATOM 0 HB3 LEU A 80 -6.883 5.586 -0.508 1.00 31.31 H new ATOM 0 HG LEU A 80 -8.579 6.536 0.978 1.00 4.15 H new ATOM 0 HD11 LEU A 80 -9.506 5.202 2.830 1.00 20.23 H new ATOM 0 HD12 LEU A 80 -10.001 4.563 1.245 1.00 20.23 H new ATOM 0 HD13 LEU A 80 -8.719 3.748 2.171 1.00 20.23 H new ATOM 0 HD21 LEU A 80 -7.333 6.339 3.095 1.00 23.23 H new ATOM 0 HD22 LEU A 80 -6.462 4.929 2.446 1.00 23.23 H new ATOM 0 HD23 LEU A 80 -6.242 6.531 1.702 1.00 23.23 H new ATOM 1333 N LEU A 81 -9.129 2.358 -0.188 1.00 10.30 N ATOM 1334 CA LEU A 81 -9.947 1.290 0.377 1.00 72.33 C ATOM 1335 C LEU A 81 -9.263 0.661 1.586 1.00 54.50 C ATOM 1336 O LEU A 81 -8.103 0.255 1.515 1.00 22.43 O ATOM 1337 CB LEU A 81 -10.224 0.220 -0.682 1.00 4.40 C ATOM 1338 CG LEU A 81 -11.455 -0.655 -0.445 1.00 21.31 C ATOM 1339 CD1 LEU A 81 -11.491 -1.148 0.993 1.00 13.42 C ATOM 1340 CD2 LEU A 81 -12.726 0.111 -0.781 1.00 60.04 C ATOM 0 H LEU A 81 -8.147 2.113 -0.318 1.00 10.30 H new ATOM 0 HA LEU A 81 -10.892 1.723 0.704 1.00 72.33 H new ATOM 0 HB2 LEU A 81 -10.334 0.713 -1.648 1.00 4.40 H new ATOM 0 HB3 LEU A 81 -9.350 -0.428 -0.752 1.00 4.40 H new ATOM 0 HG LEU A 81 -11.393 -1.522 -1.102 1.00 21.31 H new ATOM 0 HD11 LEU A 81 -12.374 -1.769 1.143 1.00 13.42 H new ATOM 0 HD12 LEU A 81 -10.596 -1.735 1.199 1.00 13.42 H new ATOM 0 HD13 LEU A 81 -11.529 -0.294 1.670 1.00 13.42 H new ATOM 0 HD21 LEU A 81 -13.592 -0.527 -0.606 1.00 60.04 H new ATOM 0 HD22 LEU A 81 -12.795 0.997 -0.150 1.00 60.04 H new ATOM 0 HD23 LEU A 81 -12.703 0.413 -1.828 1.00 60.04 H new ATOM 1352 N HIS A 82 -9.991 0.583 2.696 1.00 61.03 N ATOM 1353 CA HIS A 82 -9.456 0.001 3.921 1.00 23.11 C ATOM 1354 C HIS A 82 -10.002 -1.407 4.137 1.00 4.22 C ATOM 1355 O HIS A 82 -11.105 -1.731 3.696 1.00 33.22 O ATOM 1356 CB HIS A 82 -9.797 0.884 5.122 1.00 63.21 C ATOM 1357 CG HIS A 82 -8.756 1.918 5.421 1.00 55.11 C ATOM 1358 ND1 HIS A 82 -8.210 2.096 6.674 1.00 44.23 N ATOM 1359 CD2 HIS A 82 -8.161 2.832 4.618 1.00 23.21 C ATOM 1360 CE1 HIS A 82 -7.324 3.076 6.631 1.00 72.23 C ATOM 1361 NE2 HIS A 82 -7.274 3.539 5.395 1.00 73.43 N ATOM 0 H HIS A 82 -10.952 0.915 2.772 1.00 61.03 H new ATOM 0 HA HIS A 82 -8.372 -0.060 3.822 1.00 23.11 H new ATOM 0 HB2 HIS A 82 -10.749 1.382 4.938 1.00 63.21 H new ATOM 0 HB3 HIS A 82 -9.932 0.252 6.000 1.00 63.21 H new ATOM 0 HD2 HIS A 82 -8.348 2.978 3.564 1.00 23.21 H new ATOM 0 HE1 HIS A 82 -6.740 3.437 7.465 1.00 72.23 H new ATOM 0 HE2 HIS A 82 -6.675 4.298 5.070 1.00 73.43 H new ATOM 1370 N CYS A 83 -9.223 -2.241 4.819 1.00 32.03 N ATOM 1371 CA CYS A 83 -9.627 -3.614 5.094 1.00 74.14 C ATOM 1372 C CYS A 83 -8.913 -4.156 6.328 1.00 50.23 C ATOM 1373 O CYS A 83 -7.698 -4.349 6.319 1.00 3.52 O ATOM 1374 CB CYS A 83 -9.331 -4.507 3.886 1.00 50.52 C ATOM 1375 SG CYS A 83 -10.668 -4.555 2.650 1.00 0.04 S ATOM 0 H CYS A 83 -8.308 -1.989 5.191 1.00 32.03 H new ATOM 0 HA CYS A 83 -10.700 -3.618 5.287 1.00 74.14 H new ATOM 0 HB2 CYS A 83 -8.418 -4.157 3.404 1.00 50.52 H new ATOM 0 HB3 CYS A 83 -9.138 -5.521 4.236 1.00 50.52 H new ATOM 1380 N ASP A 84 -9.676 -4.399 7.387 1.00 55.41 N ATOM 1381 CA ASP A 84 -9.117 -4.919 8.629 1.00 13.45 C ATOM 1382 C ASP A 84 -9.428 -6.404 8.785 1.00 64.11 C ATOM 1383 O ASP A 84 -10.522 -6.860 8.448 1.00 43.42 O ATOM 1384 CB ASP A 84 -9.668 -4.142 9.827 1.00 31.00 C ATOM 1385 CG ASP A 84 -9.514 -2.642 9.664 1.00 24.33 C ATOM 1386 OD1 ASP A 84 -9.486 -2.171 8.508 1.00 11.51 O ATOM 1387 OD2 ASP A 84 -9.419 -1.941 10.693 1.00 15.03 O ATOM 0 H ASP A 84 -10.684 -4.244 7.411 1.00 55.41 H new ATOM 0 HA ASP A 84 -8.035 -4.794 8.591 1.00 13.45 H new ATOM 0 HB2 ASP A 84 -10.723 -4.384 9.960 1.00 31.00 H new ATOM 0 HB3 ASP A 84 -9.152 -4.461 10.732 1.00 31.00 H new ATOM 1392 N LEU A 85 -8.459 -7.156 9.297 1.00 52.32 N ATOM 1393 CA LEU A 85 -8.629 -8.590 9.496 1.00 24.14 C ATOM 1394 C LEU A 85 -9.806 -8.877 10.422 1.00 12.22 C ATOM 1395 O LEU A 85 -9.663 -8.871 11.645 1.00 11.14 O ATOM 1396 CB LEU A 85 -7.350 -9.198 10.077 1.00 65.20 C ATOM 1397 CG LEU A 85 -7.408 -10.691 10.409 1.00 42.15 C ATOM 1398 CD1 LEU A 85 -7.614 -11.510 9.145 1.00 32.45 C ATOM 1399 CD2 LEU A 85 -6.138 -11.126 11.127 1.00 14.32 C ATOM 0 H LEU A 85 -7.548 -6.796 9.581 1.00 52.32 H new ATOM 0 HA LEU A 85 -8.835 -9.044 8.527 1.00 24.14 H new ATOM 0 HB2 LEU A 85 -6.539 -9.035 9.367 1.00 65.20 H new ATOM 0 HB3 LEU A 85 -7.093 -8.654 10.986 1.00 65.20 H new ATOM 0 HG LEU A 85 -8.255 -10.865 11.072 1.00 42.15 H new ATOM 0 HD11 LEU A 85 -7.653 -12.569 9.400 1.00 32.45 H new ATOM 0 HD12 LEU A 85 -8.550 -11.217 8.670 1.00 32.45 H new ATOM 0 HD13 LEU A 85 -6.787 -11.332 8.458 1.00 32.45 H new ATOM 0 HD21 LEU A 85 -6.196 -12.190 11.356 1.00 14.32 H new ATOM 0 HD22 LEU A 85 -5.276 -10.939 10.487 1.00 14.32 H new ATOM 0 HD23 LEU A 85 -6.032 -10.561 12.053 1.00 14.32 H new ATOM 1411 N ILE A 86 -10.969 -9.129 9.831 1.00 74.31 N ATOM 1412 CA ILE A 86 -12.171 -9.420 10.602 1.00 12.10 C ATOM 1413 C ILE A 86 -11.971 -10.644 11.490 1.00 30.12 C ATOM 1414 O ILE A 86 -12.782 -10.922 12.372 1.00 44.21 O ATOM 1415 CB ILE A 86 -13.385 -9.659 9.684 1.00 22.01 C ATOM 1416 CG1 ILE A 86 -13.684 -8.405 8.861 1.00 42.31 C ATOM 1417 CG2 ILE A 86 -14.600 -10.062 10.506 1.00 10.34 C ATOM 1418 CD1 ILE A 86 -14.700 -8.630 7.763 1.00 42.22 C ATOM 0 H ILE A 86 -11.104 -9.137 8.820 1.00 74.31 H new ATOM 0 HA ILE A 86 -12.364 -8.548 11.227 1.00 12.10 H new ATOM 0 HB ILE A 86 -13.149 -10.473 8.999 1.00 22.01 H new ATOM 0 HG12 ILE A 86 -14.048 -7.622 9.526 1.00 42.31 H new ATOM 0 HG13 ILE A 86 -12.757 -8.042 8.418 1.00 42.31 H new ATOM 0 HG21 ILE A 86 -15.449 -10.227 9.843 1.00 10.34 H new ATOM 0 HG22 ILE A 86 -14.382 -10.980 11.052 1.00 10.34 H new ATOM 0 HG23 ILE A 86 -14.841 -9.268 11.213 1.00 10.34 H new ATOM 0 HD11 ILE A 86 -14.862 -7.698 7.221 1.00 42.22 H new ATOM 0 HD12 ILE A 86 -14.330 -9.390 7.075 1.00 42.22 H new ATOM 0 HD13 ILE A 86 -15.641 -8.964 8.201 1.00 42.22 H new ATOM 1430 N ASN A 87 -10.884 -11.371 11.250 1.00 53.44 N ATOM 1431 CA ASN A 87 -10.576 -12.565 12.029 1.00 50.42 C ATOM 1432 C ASN A 87 -9.166 -12.488 12.606 1.00 4.20 C ATOM 1433 O ASN A 87 -8.211 -13.030 12.049 1.00 42.10 O ATOM 1434 CB ASN A 87 -10.717 -13.816 11.161 1.00 62.43 C ATOM 1435 CG ASN A 87 -10.418 -13.543 9.700 1.00 40.34 C ATOM 1436 OD1 ASN A 87 -11.309 -13.190 8.927 1.00 44.10 O ATOM 1437 ND2 ASN A 87 -9.157 -13.704 9.314 1.00 45.42 N ATOM 0 H ASN A 87 -10.202 -11.154 10.523 1.00 53.44 H new ATOM 0 HA ASN A 87 -11.285 -12.623 12.855 1.00 50.42 H new ATOM 0 HB2 ASN A 87 -10.041 -14.588 11.529 1.00 62.43 H new ATOM 0 HB3 ASN A 87 -11.730 -14.208 11.255 1.00 62.43 H new ATOM 0 HD21 ASN A 87 -8.895 -13.534 8.343 1.00 45.42 H new ATOM 0 HD22 ASN A 87 -8.451 -13.998 9.989 1.00 45.42 H new ATOM 1444 N PRO A 88 -9.030 -11.800 13.749 1.00 20.24 N ATOM 1445 CA PRO A 88 -7.741 -11.639 14.428 1.00 11.41 C ATOM 1446 C PRO A 88 -7.239 -12.943 15.038 1.00 53.01 C ATOM 1447 O PRO A 88 -7.879 -13.513 15.921 1.00 62.31 O ATOM 1448 CB PRO A 88 -8.044 -10.616 15.526 1.00 13.32 C ATOM 1449 CG PRO A 88 -9.503 -10.763 15.788 1.00 41.31 C ATOM 1450 CD PRO A 88 -10.126 -11.129 14.469 1.00 42.45 C ATOM 0 HA PRO A 88 -6.955 -11.327 13.741 1.00 11.41 H new ATOM 0 HB2 PRO A 88 -7.459 -10.814 16.424 1.00 13.32 H new ATOM 0 HB3 PRO A 88 -7.800 -9.604 15.203 1.00 13.32 H new ATOM 0 HG2 PRO A 88 -9.689 -11.534 16.535 1.00 41.31 H new ATOM 0 HG3 PRO A 88 -9.925 -9.836 16.175 1.00 41.31 H new ATOM 0 HD2 PRO A 88 -10.984 -11.788 14.599 1.00 42.45 H new ATOM 0 HD3 PRO A 88 -10.479 -10.248 13.933 1.00 42.45 H new ATOM 1458 N GLY A 89 -6.088 -13.409 14.563 1.00 31.10 N ATOM 1459 CA GLY A 89 -5.520 -14.643 15.074 1.00 40.41 C ATOM 1460 C GLY A 89 -5.672 -15.797 14.104 1.00 40.15 C ATOM 1461 O GLY A 89 -5.134 -16.881 14.329 1.00 51.24 O ATOM 0 H GLY A 89 -5.539 -12.954 13.834 1.00 31.10 H new ATOM 0 HA2 GLY A 89 -4.462 -14.491 15.289 1.00 40.41 H new ATOM 0 HA3 GLY A 89 -6.004 -14.899 16.017 1.00 40.41 H new ATOM 1465 N ALA A 90 -6.407 -15.565 13.020 1.00 32.05 N ATOM 1466 CA ALA A 90 -6.628 -16.594 12.012 1.00 11.34 C ATOM 1467 C ALA A 90 -5.377 -16.812 11.168 1.00 71.14 C ATOM 1468 O ALA A 90 -4.694 -15.858 10.798 1.00 64.03 O ATOM 1469 CB ALA A 90 -7.807 -16.220 11.127 1.00 31.52 C ATOM 0 H ALA A 90 -6.859 -14.673 12.818 1.00 32.05 H new ATOM 0 HA ALA A 90 -6.855 -17.529 12.525 1.00 11.34 H new ATOM 0 HB1 ALA A 90 -7.961 -16.997 10.378 1.00 31.52 H new ATOM 0 HB2 ALA A 90 -8.704 -16.122 11.738 1.00 31.52 H new ATOM 0 HB3 ALA A 90 -7.602 -15.272 10.629 1.00 31.52 H new ATOM 1475 N GLN A 91 -5.084 -18.073 10.867 1.00 74.52 N ATOM 1476 CA GLN A 91 -3.915 -18.415 10.066 1.00 22.04 C ATOM 1477 C GLN A 91 -4.320 -19.175 8.808 1.00 22.22 C ATOM 1478 O GLN A 91 -3.938 -20.330 8.619 1.00 71.25 O ATOM 1479 CB GLN A 91 -2.935 -19.253 10.889 1.00 21.44 C ATOM 1480 CG GLN A 91 -1.919 -18.422 11.656 1.00 33.21 C ATOM 1481 CD GLN A 91 -1.214 -19.215 12.739 1.00 65.12 C ATOM 1482 OE1 GLN A 91 -1.031 -20.427 12.617 1.00 22.12 O ATOM 1483 NE2 GLN A 91 -0.812 -18.535 13.806 1.00 51.44 N ATOM 0 H GLN A 91 -5.640 -18.874 11.166 1.00 74.52 H new ATOM 0 HA GLN A 91 -3.427 -17.487 9.766 1.00 22.04 H new ATOM 0 HB2 GLN A 91 -3.497 -19.866 11.594 1.00 21.44 H new ATOM 0 HB3 GLN A 91 -2.406 -19.936 10.224 1.00 21.44 H new ATOM 0 HG2 GLN A 91 -1.179 -18.027 10.960 1.00 33.21 H new ATOM 0 HG3 GLN A 91 -2.421 -17.566 12.107 1.00 33.21 H new ATOM 0 HE21 GLN A 91 -0.984 -17.531 13.866 1.00 51.44 H new ATOM 0 HE22 GLN A 91 -0.331 -19.016 14.566 1.00 51.44 H new ATOM 1492 N ASN A 92 -5.096 -18.520 7.951 1.00 62.21 N ATOM 1493 CA ASN A 92 -5.554 -19.135 6.710 1.00 64.35 C ATOM 1494 C ASN A 92 -5.992 -18.074 5.706 1.00 74.33 C ATOM 1495 O ASN A 92 -7.053 -17.466 5.854 1.00 35.12 O ATOM 1496 CB ASN A 92 -6.710 -20.098 6.990 1.00 52.44 C ATOM 1497 CG ASN A 92 -7.677 -19.555 8.024 1.00 41.44 C ATOM 1498 OD1 ASN A 92 -8.386 -18.580 7.775 1.00 32.32 O ATOM 1499 ND2 ASN A 92 -7.709 -20.186 9.192 1.00 12.11 N ATOM 0 H ASN A 92 -5.421 -17.564 8.093 1.00 62.21 H new ATOM 0 HA ASN A 92 -4.721 -19.693 6.281 1.00 64.35 H new ATOM 0 HB2 ASN A 92 -7.247 -20.296 6.062 1.00 52.44 H new ATOM 0 HB3 ASN A 92 -6.310 -21.051 7.336 1.00 52.44 H new ATOM 0 HD21 ASN A 92 -8.340 -19.866 9.927 1.00 12.11 H new ATOM 0 HD22 ASN A 92 -7.103 -20.990 9.354 1.00 12.11 H new ATOM 1506 N ILE A 93 -5.171 -17.857 4.685 1.00 44.15 N ATOM 1507 CA ILE A 93 -5.475 -16.870 3.656 1.00 4.23 C ATOM 1508 C ILE A 93 -6.760 -17.225 2.917 1.00 12.22 C ATOM 1509 O ILE A 93 -7.353 -16.383 2.241 1.00 21.11 O ATOM 1510 CB ILE A 93 -4.327 -16.748 2.636 1.00 33.01 C ATOM 1511 CG1 ILE A 93 -3.768 -18.131 2.297 1.00 10.22 C ATOM 1512 CG2 ILE A 93 -3.230 -15.846 3.180 1.00 41.22 C ATOM 1513 CD1 ILE A 93 -2.894 -18.144 1.062 1.00 52.51 C ATOM 0 H ILE A 93 -4.289 -18.351 4.548 1.00 44.15 H new ATOM 0 HA ILE A 93 -5.602 -15.914 4.164 1.00 4.23 H new ATOM 0 HB ILE A 93 -4.718 -16.301 1.722 1.00 33.01 H new ATOM 0 HG12 ILE A 93 -3.190 -18.498 3.145 1.00 10.22 H new ATOM 0 HG13 ILE A 93 -4.597 -18.824 2.153 1.00 10.22 H new ATOM 0 HG21 ILE A 93 -2.426 -15.769 2.448 1.00 41.22 H new ATOM 0 HG22 ILE A 93 -3.638 -14.854 3.376 1.00 41.22 H new ATOM 0 HG23 ILE A 93 -2.839 -16.267 4.106 1.00 41.22 H new ATOM 0 HD11 ILE A 93 -2.533 -19.157 0.882 1.00 52.51 H new ATOM 0 HD12 ILE A 93 -3.474 -17.808 0.202 1.00 52.51 H new ATOM 0 HD13 ILE A 93 -2.045 -17.477 1.210 1.00 52.51 H new ATOM 1525 N SER A 94 -7.189 -18.476 3.052 1.00 2.42 N ATOM 1526 CA SER A 94 -8.403 -18.944 2.396 1.00 73.21 C ATOM 1527 C SER A 94 -9.641 -18.546 3.196 1.00 42.44 C ATOM 1528 O SER A 94 -10.643 -18.109 2.633 1.00 72.12 O ATOM 1529 CB SER A 94 -8.363 -20.463 2.221 1.00 4.23 C ATOM 1530 OG SER A 94 -7.429 -20.836 1.222 1.00 31.04 O ATOM 0 H SER A 94 -6.713 -19.184 3.611 1.00 2.42 H new ATOM 0 HA SER A 94 -8.458 -18.474 1.414 1.00 73.21 H new ATOM 0 HB2 SER A 94 -8.097 -20.934 3.167 1.00 4.23 H new ATOM 0 HB3 SER A 94 -9.354 -20.828 1.951 1.00 4.23 H new ATOM 0 HG SER A 94 -7.421 -21.812 1.130 1.00 31.04 H new ATOM 1536 N ASN A 95 -9.561 -18.700 4.514 1.00 44.15 N ATOM 1537 CA ASN A 95 -10.673 -18.358 5.392 1.00 13.44 C ATOM 1538 C ASN A 95 -10.408 -17.043 6.120 1.00 65.14 C ATOM 1539 O ASN A 95 -10.806 -16.866 7.271 1.00 71.50 O ATOM 1540 CB ASN A 95 -10.911 -19.477 6.408 1.00 71.02 C ATOM 1541 CG ASN A 95 -11.574 -20.690 5.787 1.00 73.31 C ATOM 1542 OD1 ASN A 95 -10.904 -21.573 5.252 1.00 74.30 O ATOM 1543 ND2 ASN A 95 -12.900 -20.739 5.855 1.00 42.50 N ATOM 0 H ASN A 95 -8.738 -19.059 4.997 1.00 44.15 H new ATOM 0 HA ASN A 95 -11.565 -18.239 4.777 1.00 13.44 H new ATOM 0 HB2 ASN A 95 -9.959 -19.773 6.849 1.00 71.02 H new ATOM 0 HB3 ASN A 95 -11.535 -19.101 7.219 1.00 71.02 H new ATOM 0 HD21 ASN A 95 -13.402 -21.531 5.454 1.00 42.50 H new ATOM 0 HD22 ASN A 95 -13.416 -19.985 6.308 1.00 42.50 H new ATOM 1550 N CYS A 96 -9.731 -16.123 5.439 1.00 32.22 N ATOM 1551 CA CYS A 96 -9.411 -14.824 6.019 1.00 61.43 C ATOM 1552 C CYS A 96 -10.337 -13.742 5.472 1.00 51.11 C ATOM 1553 O CYS A 96 -10.183 -13.295 4.335 1.00 21.44 O ATOM 1554 CB CYS A 96 -7.954 -14.459 5.730 1.00 11.32 C ATOM 1555 SG CYS A 96 -7.413 -12.896 6.496 1.00 33.22 S ATOM 0 H CYS A 96 -9.394 -16.254 4.485 1.00 32.22 H new ATOM 0 HA CYS A 96 -9.555 -14.889 7.098 1.00 61.43 H new ATOM 0 HB2 CYS A 96 -7.312 -15.266 6.083 1.00 11.32 H new ATOM 0 HB3 CYS A 96 -7.815 -14.390 4.651 1.00 11.32 H new ATOM 1560 N ARG A 97 -11.298 -13.325 6.289 1.00 21.03 N ATOM 1561 CA ARG A 97 -12.249 -12.296 5.887 1.00 14.44 C ATOM 1562 C ARG A 97 -11.714 -10.904 6.211 1.00 4.41 C ATOM 1563 O ARG A 97 -10.891 -10.738 7.112 1.00 71.53 O ATOM 1564 CB ARG A 97 -13.593 -12.512 6.586 1.00 34.33 C ATOM 1565 CG ARG A 97 -14.080 -13.951 6.538 1.00 50.21 C ATOM 1566 CD ARG A 97 -14.827 -14.243 5.245 1.00 52.41 C ATOM 1567 NE ARG A 97 -16.045 -13.445 5.125 1.00 41.43 N ATOM 1568 CZ ARG A 97 -17.015 -13.712 4.259 1.00 72.40 C ATOM 1569 NH1 ARG A 97 -16.913 -14.751 3.442 1.00 21.13 N ATOM 1570 NH2 ARG A 97 -18.093 -12.939 4.209 1.00 52.14 N ATOM 0 H ARG A 97 -11.439 -13.684 7.233 1.00 21.03 H new ATOM 0 HA ARG A 97 -12.391 -12.370 4.809 1.00 14.44 H new ATOM 0 HB2 ARG A 97 -13.505 -12.201 7.627 1.00 34.33 H new ATOM 0 HB3 ARG A 97 -14.341 -11.868 6.123 1.00 34.33 H new ATOM 0 HG2 ARG A 97 -13.230 -14.627 6.629 1.00 50.21 H new ATOM 0 HG3 ARG A 97 -14.734 -14.144 7.389 1.00 50.21 H new ATOM 0 HD2 ARG A 97 -14.175 -14.039 4.396 1.00 52.41 H new ATOM 0 HD3 ARG A 97 -15.082 -15.302 5.205 1.00 52.41 H new ATOM 0 HE ARG A 97 -16.156 -12.639 5.740 1.00 41.43 H new ATOM 0 HH11 ARG A 97 -16.087 -15.349 3.477 1.00 21.13 H new ATOM 0 HH12 ARG A 97 -17.660 -14.953 2.778 1.00 21.13 H new ATOM 0 HH21 ARG A 97 -18.176 -12.139 4.836 1.00 52.14 H new ATOM 0 HH22 ARG A 97 -18.838 -13.145 3.543 1.00 52.14 H new ATOM 1584 N TYR A 98 -12.186 -9.908 5.470 1.00 1.34 N ATOM 1585 CA TYR A 98 -11.753 -8.531 5.676 1.00 64.03 C ATOM 1586 C TYR A 98 -12.951 -7.592 5.781 1.00 2.35 C ATOM 1587 O TYR A 98 -14.045 -7.910 5.317 1.00 43.12 O ATOM 1588 CB TYR A 98 -10.839 -8.085 4.532 1.00 32.13 C ATOM 1589 CG TYR A 98 -9.380 -8.405 4.762 1.00 11.50 C ATOM 1590 CD1 TYR A 98 -8.781 -8.165 5.994 1.00 35.31 C ATOM 1591 CD2 TYR A 98 -8.598 -8.945 3.748 1.00 33.05 C ATOM 1592 CE1 TYR A 98 -7.449 -8.455 6.209 1.00 42.32 C ATOM 1593 CE2 TYR A 98 -7.265 -9.239 3.955 1.00 62.43 C ATOM 1594 CZ TYR A 98 -6.694 -8.992 5.186 1.00 35.12 C ATOM 1595 OH TYR A 98 -5.365 -9.283 5.395 1.00 11.15 O ATOM 0 H TYR A 98 -12.868 -10.028 4.721 1.00 1.34 H new ATOM 0 HA TYR A 98 -11.198 -8.488 6.613 1.00 64.03 H new ATOM 0 HB2 TYR A 98 -11.166 -8.564 3.609 1.00 32.13 H new ATOM 0 HB3 TYR A 98 -10.948 -7.010 4.389 1.00 32.13 H new ATOM 0 HD1 TYR A 98 -9.369 -7.744 6.797 1.00 35.31 H new ATOM 0 HD2 TYR A 98 -9.040 -9.138 2.782 1.00 33.05 H new ATOM 0 HE1 TYR A 98 -7.000 -8.263 7.172 1.00 42.32 H new ATOM 0 HE2 TYR A 98 -6.672 -9.660 3.157 1.00 62.43 H new ATOM 0 HH TYR A 98 -5.268 -9.784 6.231 1.00 11.15 H new ATOM 1605 N ALA A 99 -12.734 -6.434 6.395 1.00 51.23 N ATOM 1606 CA ALA A 99 -13.793 -5.447 6.560 1.00 35.31 C ATOM 1607 C ALA A 99 -13.627 -4.293 5.577 1.00 40.41 C ATOM 1608 O ALA A 99 -12.817 -3.392 5.794 1.00 12.52 O ATOM 1609 CB ALA A 99 -13.813 -4.926 7.990 1.00 74.04 C ATOM 0 H ALA A 99 -11.834 -6.156 6.786 1.00 51.23 H new ATOM 0 HA ALA A 99 -14.745 -5.935 6.350 1.00 35.31 H new ATOM 0 HB1 ALA A 99 -14.609 -4.190 8.098 1.00 74.04 H new ATOM 0 HB2 ALA A 99 -13.989 -5.754 8.677 1.00 74.04 H new ATOM 0 HB3 ALA A 99 -12.855 -4.461 8.221 1.00 74.04 H new ATOM 1615 N ASP A 100 -14.397 -4.328 4.495 1.00 14.42 N ATOM 1616 CA ASP A 100 -14.335 -3.283 3.478 1.00 31.54 C ATOM 1617 C ASP A 100 -14.756 -1.937 4.056 1.00 54.32 C ATOM 1618 O ASP A 100 -15.753 -1.841 4.771 1.00 53.22 O ATOM 1619 CB ASP A 100 -15.229 -3.645 2.291 1.00 45.14 C ATOM 1620 CG ASP A 100 -14.867 -4.984 1.679 1.00 43.53 C ATOM 1621 OD1 ASP A 100 -14.510 -5.906 2.442 1.00 64.12 O ATOM 1622 OD2 ASP A 100 -14.937 -5.110 0.438 1.00 15.54 O ATOM 0 H ASP A 100 -15.071 -5.068 4.299 1.00 14.42 H new ATOM 0 HA ASP A 100 -13.303 -3.204 3.135 1.00 31.54 H new ATOM 0 HB2 ASP A 100 -16.269 -3.667 2.617 1.00 45.14 H new ATOM 0 HB3 ASP A 100 -15.150 -2.868 1.530 1.00 45.14 H new ATOM 1627 N ARG A 101 -13.988 -0.897 3.743 1.00 62.42 N ATOM 1628 CA ARG A 101 -14.280 0.444 4.233 1.00 71.13 C ATOM 1629 C ARG A 101 -13.798 1.501 3.243 1.00 50.34 C ATOM 1630 O ARG A 101 -12.604 1.778 3.125 1.00 64.35 O ATOM 1631 CB ARG A 101 -13.621 0.667 5.594 1.00 14.52 C ATOM 1632 CG ARG A 101 -14.383 1.630 6.490 1.00 20.40 C ATOM 1633 CD ARG A 101 -14.223 3.069 6.025 1.00 50.12 C ATOM 1634 NE ARG A 101 -15.248 3.944 6.588 1.00 4.31 N ATOM 1635 CZ ARG A 101 -15.241 4.370 7.846 1.00 24.22 C ATOM 1636 NH1 ARG A 101 -14.268 4.002 8.668 1.00 41.42 N ATOM 1637 NH2 ARG A 101 -16.209 5.164 8.284 1.00 64.01 N ATOM 0 H ARG A 101 -13.159 -0.959 3.152 1.00 62.42 H new ATOM 0 HA ARG A 101 -15.361 0.537 4.341 1.00 71.13 H new ATOM 0 HB2 ARG A 101 -13.526 -0.292 6.104 1.00 14.52 H new ATOM 0 HB3 ARG A 101 -12.611 1.048 5.441 1.00 14.52 H new ATOM 0 HG2 ARG A 101 -15.440 1.364 6.496 1.00 20.40 H new ATOM 0 HG3 ARG A 101 -14.025 1.536 7.515 1.00 20.40 H new ATOM 0 HD2 ARG A 101 -13.237 3.435 6.311 1.00 50.12 H new ATOM 0 HD3 ARG A 101 -14.273 3.106 4.937 1.00 50.12 H new ATOM 0 HE ARG A 101 -16.011 4.244 5.982 1.00 4.31 H new ATOM 0 HH11 ARG A 101 -13.523 3.391 8.335 1.00 41.42 H new ATOM 0 HH12 ARG A 101 -14.265 4.330 9.634 1.00 41.42 H new ATOM 0 HH21 ARG A 101 -16.960 5.448 7.655 1.00 64.01 H new ATOM 0 HH22 ARG A 101 -16.203 5.491 9.250 1.00 64.01 H new ATOM 1651 N PRO A 102 -14.747 2.107 2.514 1.00 74.40 N ATOM 1652 CA PRO A 102 -14.444 3.142 1.523 1.00 71.22 C ATOM 1653 C PRO A 102 -13.972 4.442 2.167 1.00 31.42 C ATOM 1654 O PRO A 102 -14.399 4.791 3.267 1.00 64.31 O ATOM 1655 CB PRO A 102 -15.782 3.354 0.810 1.00 64.02 C ATOM 1656 CG PRO A 102 -16.810 2.940 1.805 1.00 72.11 C ATOM 1657 CD PRO A 102 -16.190 1.827 2.603 1.00 51.11 C ATOM 0 HA PRO A 102 -13.633 2.844 0.858 1.00 71.22 H new ATOM 0 HB2 PRO A 102 -15.913 4.395 0.515 1.00 64.02 H new ATOM 0 HB3 PRO A 102 -15.846 2.755 -0.098 1.00 64.02 H new ATOM 0 HG2 PRO A 102 -17.088 3.774 2.449 1.00 72.11 H new ATOM 0 HG3 PRO A 102 -17.720 2.604 1.309 1.00 72.11 H new ATOM 0 HD2 PRO A 102 -16.537 1.831 3.636 1.00 51.11 H new ATOM 0 HD3 PRO A 102 -16.436 0.850 2.188 1.00 51.11 H new ATOM 1665 N GLY A 103 -13.088 5.154 1.474 1.00 35.42 N ATOM 1666 CA GLY A 103 -12.574 6.407 1.995 1.00 23.43 C ATOM 1667 C GLY A 103 -11.797 7.191 0.956 1.00 4.12 C ATOM 1668 O GLY A 103 -11.497 6.679 -0.123 1.00 31.54 O ATOM 0 H GLY A 103 -12.719 4.885 0.562 1.00 35.42 H new ATOM 0 HA2 GLY A 103 -13.404 7.014 2.358 1.00 23.43 H new ATOM 0 HA3 GLY A 103 -11.929 6.204 2.850 1.00 23.43 H new ATOM 1672 N ARG A 104 -11.471 8.438 1.280 1.00 24.51 N ATOM 1673 CA ARG A 104 -10.726 9.295 0.365 1.00 31.11 C ATOM 1674 C ARG A 104 -9.876 10.302 1.135 1.00 44.12 C ATOM 1675 O ARG A 104 -10.398 11.242 1.733 1.00 61.13 O ATOM 1676 CB ARG A 104 -11.685 10.032 -0.571 1.00 12.30 C ATOM 1677 CG ARG A 104 -11.038 11.186 -1.320 1.00 32.42 C ATOM 1678 CD ARG A 104 -11.994 11.796 -2.335 1.00 3.44 C ATOM 1679 NE ARG A 104 -11.683 13.197 -2.605 1.00 65.31 N ATOM 1680 CZ ARG A 104 -12.201 13.883 -3.617 1.00 63.44 C ATOM 1681 NH1 ARG A 104 -13.052 13.300 -4.451 1.00 4.54 N ATOM 1682 NH2 ARG A 104 -11.869 15.155 -3.797 1.00 74.25 N ATOM 0 H ARG A 104 -11.711 8.877 2.169 1.00 24.51 H new ATOM 0 HA ARG A 104 -10.064 8.664 -0.228 1.00 31.11 H new ATOM 0 HB2 ARG A 104 -12.091 9.323 -1.293 1.00 12.30 H new ATOM 0 HB3 ARG A 104 -12.525 10.412 0.010 1.00 12.30 H new ATOM 0 HG2 ARG A 104 -10.722 11.951 -0.610 1.00 32.42 H new ATOM 0 HG3 ARG A 104 -10.141 10.834 -1.829 1.00 32.42 H new ATOM 0 HD2 ARG A 104 -11.947 11.228 -3.264 1.00 3.44 H new ATOM 0 HD3 ARG A 104 -13.016 11.716 -1.964 1.00 3.44 H new ATOM 0 HE ARG A 104 -11.032 13.675 -1.982 1.00 65.31 H new ATOM 0 HH11 ARG A 104 -13.310 12.322 -4.316 1.00 4.54 H new ATOM 0 HH12 ARG A 104 -13.448 13.829 -5.228 1.00 4.54 H new ATOM 0 HH21 ARG A 104 -11.215 15.607 -3.158 1.00 74.25 H new ATOM 0 HH22 ARG A 104 -12.268 15.681 -4.575 1.00 74.25 H new ATOM 1696 N ARG A 105 -8.563 10.097 1.114 1.00 1.12 N ATOM 1697 CA ARG A 105 -7.640 10.985 1.811 1.00 33.13 C ATOM 1698 C ARG A 105 -6.208 10.764 1.334 1.00 42.22 C ATOM 1699 O ARG A 105 -5.961 9.977 0.419 1.00 32.43 O ATOM 1700 CB ARG A 105 -7.726 10.762 3.322 1.00 22.34 C ATOM 1701 CG ARG A 105 -8.076 9.333 3.707 1.00 40.44 C ATOM 1702 CD ARG A 105 -8.325 9.205 5.202 1.00 21.31 C ATOM 1703 NE ARG A 105 -9.439 10.039 5.645 1.00 21.13 N ATOM 1704 CZ ARG A 105 -9.310 11.316 5.988 1.00 22.41 C ATOM 1705 NH1 ARG A 105 -8.122 11.902 5.938 1.00 44.22 N ATOM 1706 NH2 ARG A 105 -10.371 12.009 6.381 1.00 63.40 N ATOM 0 H ARG A 105 -8.115 9.324 0.622 1.00 1.12 H new ATOM 0 HA ARG A 105 -7.925 12.013 1.586 1.00 33.13 H new ATOM 0 HB2 ARG A 105 -6.771 11.028 3.775 1.00 22.34 H new ATOM 0 HB3 ARG A 105 -8.475 11.436 3.738 1.00 22.34 H new ATOM 0 HG2 ARG A 105 -8.964 9.015 3.160 1.00 40.44 H new ATOM 0 HG3 ARG A 105 -7.265 8.667 3.414 1.00 40.44 H new ATOM 0 HD2 ARG A 105 -8.532 8.163 5.447 1.00 21.31 H new ATOM 0 HD3 ARG A 105 -7.423 9.487 5.745 1.00 21.31 H new ATOM 0 HE ARG A 105 -10.367 9.618 5.694 1.00 21.13 H new ATOM 0 HH11 ARG A 105 -7.304 11.372 5.636 1.00 44.22 H new ATOM 0 HH12 ARG A 105 -8.026 12.883 6.202 1.00 44.22 H new ATOM 0 HH21 ARG A 105 -11.287 11.561 6.420 1.00 63.40 H new ATOM 0 HH22 ARG A 105 -10.271 12.989 6.644 1.00 63.40 H new ATOM 1720 N PHE A 106 -5.266 11.463 1.959 1.00 33.24 N ATOM 1721 CA PHE A 106 -3.859 11.344 1.598 1.00 42.21 C ATOM 1722 C PHE A 106 -3.285 10.013 2.076 1.00 61.44 C ATOM 1723 O PHE A 106 -3.938 9.271 2.809 1.00 1.15 O ATOM 1724 CB PHE A 106 -3.057 12.502 2.197 1.00 24.04 C ATOM 1725 CG PHE A 106 -3.601 13.856 1.840 1.00 33.24 C ATOM 1726 CD1 PHE A 106 -4.027 14.128 0.550 1.00 25.32 C ATOM 1727 CD2 PHE A 106 -3.687 14.856 2.795 1.00 2.01 C ATOM 1728 CE1 PHE A 106 -4.528 15.372 0.219 1.00 40.25 C ATOM 1729 CE2 PHE A 106 -4.187 16.102 2.469 1.00 13.34 C ATOM 1730 CZ PHE A 106 -4.608 16.362 1.180 1.00 24.51 C ATOM 0 H PHE A 106 -5.452 12.118 2.718 1.00 33.24 H new ATOM 0 HA PHE A 106 -3.784 11.383 0.511 1.00 42.21 H new ATOM 0 HB2 PHE A 106 -3.042 12.400 3.282 1.00 24.04 H new ATOM 0 HB3 PHE A 106 -2.024 12.433 1.856 1.00 24.04 H new ATOM 0 HD1 PHE A 106 -3.967 13.359 -0.205 1.00 25.32 H new ATOM 0 HD2 PHE A 106 -3.360 14.659 3.805 1.00 2.01 H new ATOM 0 HE1 PHE A 106 -4.857 15.571 -0.790 1.00 40.25 H new ATOM 0 HE2 PHE A 106 -4.249 16.873 3.223 1.00 13.34 H new ATOM 0 HZ PHE A 106 -4.999 17.336 0.924 1.00 24.51 H new ATOM 1740 N TYR A 107 -2.061 9.718 1.653 1.00 61.23 N ATOM 1741 CA TYR A 107 -1.400 8.476 2.033 1.00 45.01 C ATOM 1742 C TYR A 107 0.099 8.691 2.221 1.00 11.10 C ATOM 1743 O TYR A 107 0.760 9.306 1.384 1.00 60.14 O ATOM 1744 CB TYR A 107 -1.642 7.399 0.974 1.00 41.33 C ATOM 1745 CG TYR A 107 -1.359 7.863 -0.437 1.00 71.22 C ATOM 1746 CD1 TYR A 107 -0.055 8.020 -0.890 1.00 4.14 C ATOM 1747 CD2 TYR A 107 -2.395 8.147 -1.317 1.00 60.44 C ATOM 1748 CE1 TYR A 107 0.209 8.444 -2.177 1.00 1.21 C ATOM 1749 CE2 TYR A 107 -2.141 8.570 -2.608 1.00 23.10 C ATOM 1750 CZ TYR A 107 -0.837 8.718 -3.033 1.00 53.31 C ATOM 1751 OH TYR A 107 -0.580 9.142 -4.316 1.00 61.42 O ATOM 0 H TYR A 107 -1.507 10.322 1.047 1.00 61.23 H new ATOM 0 HA TYR A 107 -1.824 8.146 2.981 1.00 45.01 H new ATOM 0 HB2 TYR A 107 -1.015 6.535 1.196 1.00 41.33 H new ATOM 0 HB3 TYR A 107 -2.678 7.066 1.037 1.00 41.33 H new ATOM 0 HD1 TYR A 107 0.767 7.806 -0.223 1.00 4.14 H new ATOM 0 HD2 TYR A 107 -3.417 8.035 -0.987 1.00 60.44 H new ATOM 0 HE1 TYR A 107 1.229 8.561 -2.512 1.00 1.21 H new ATOM 0 HE2 TYR A 107 -2.959 8.783 -3.280 1.00 23.10 H new ATOM 0 HH TYR A 107 -1.426 9.290 -4.787 1.00 61.42 H new ATOM 1761 N VAL A 108 0.628 8.180 3.328 1.00 44.23 N ATOM 1762 CA VAL A 108 2.049 8.315 3.628 1.00 11.22 C ATOM 1763 C VAL A 108 2.813 7.053 3.245 1.00 21.32 C ATOM 1764 O VAL A 108 2.741 6.036 3.937 1.00 41.22 O ATOM 1765 CB VAL A 108 2.283 8.610 5.121 1.00 34.22 C ATOM 1766 CG1 VAL A 108 3.761 8.506 5.463 1.00 64.34 C ATOM 1767 CG2 VAL A 108 1.739 9.984 5.484 1.00 31.30 C ATOM 0 H VAL A 108 0.095 7.669 4.032 1.00 44.23 H new ATOM 0 HA VAL A 108 2.418 9.154 3.038 1.00 11.22 H new ATOM 0 HB VAL A 108 1.747 7.864 5.708 1.00 34.22 H new ATOM 0 HG11 VAL A 108 3.905 8.718 6.522 1.00 64.34 H new ATOM 0 HG12 VAL A 108 4.115 7.499 5.243 1.00 64.34 H new ATOM 0 HG13 VAL A 108 4.323 9.226 4.869 1.00 64.34 H new ATOM 0 HG21 VAL A 108 1.913 10.176 6.543 1.00 31.30 H new ATOM 0 HG22 VAL A 108 2.245 10.744 4.889 1.00 31.30 H new ATOM 0 HG23 VAL A 108 0.669 10.017 5.280 1.00 31.30 H new ATOM 1777 N VAL A 109 3.547 7.124 2.139 1.00 21.45 N ATOM 1778 CA VAL A 109 4.327 5.987 1.665 1.00 63.11 C ATOM 1779 C VAL A 109 5.821 6.283 1.721 1.00 12.44 C ATOM 1780 O VAL A 109 6.264 7.369 1.352 1.00 54.42 O ATOM 1781 CB VAL A 109 3.945 5.607 0.221 1.00 1.42 C ATOM 1782 CG1 VAL A 109 2.486 5.943 -0.051 1.00 40.44 C ATOM 1783 CG2 VAL A 109 4.857 6.310 -0.773 1.00 1.24 C ATOM 0 H VAL A 109 3.618 7.957 1.555 1.00 21.45 H new ATOM 0 HA VAL A 109 4.100 5.151 2.326 1.00 63.11 H new ATOM 0 HB VAL A 109 4.074 4.531 0.100 1.00 1.42 H new ATOM 0 HG11 VAL A 109 2.234 5.668 -1.075 1.00 40.44 H new ATOM 0 HG12 VAL A 109 1.850 5.390 0.640 1.00 40.44 H new ATOM 0 HG13 VAL A 109 2.327 7.013 0.087 1.00 40.44 H new ATOM 0 HG21 VAL A 109 4.573 6.031 -1.788 1.00 1.24 H new ATOM 0 HG22 VAL A 109 4.762 7.389 -0.654 1.00 1.24 H new ATOM 0 HG23 VAL A 109 5.890 6.015 -0.591 1.00 1.24 H new ATOM 1793 N ALA A 110 6.595 5.308 2.189 1.00 74.12 N ATOM 1794 CA ALA A 110 8.041 5.463 2.292 1.00 32.15 C ATOM 1795 C ALA A 110 8.721 5.158 0.962 1.00 5.11 C ATOM 1796 O ALA A 110 8.901 3.995 0.598 1.00 74.54 O ATOM 1797 CB ALA A 110 8.591 4.563 3.388 1.00 34.31 C ATOM 0 H ALA A 110 6.244 4.403 2.503 1.00 74.12 H new ATOM 0 HA ALA A 110 8.254 6.501 2.549 1.00 32.15 H new ATOM 0 HB1 ALA A 110 9.672 4.689 3.454 1.00 34.31 H new ATOM 0 HB2 ALA A 110 8.136 4.831 4.341 1.00 34.31 H new ATOM 0 HB3 ALA A 110 8.360 3.523 3.155 1.00 34.31 H new ATOM 1803 N CYS A 111 9.100 6.208 0.242 1.00 73.43 N ATOM 1804 CA CYS A 111 9.761 6.053 -1.048 1.00 52.22 C ATOM 1805 C CYS A 111 11.275 5.977 -0.878 1.00 4.40 C ATOM 1806 O CYS A 111 11.891 6.874 -0.300 1.00 31.23 O ATOM 1807 CB CYS A 111 9.398 7.216 -1.974 1.00 30.30 C ATOM 1808 SG CYS A 111 7.922 6.918 -2.999 1.00 71.44 S ATOM 0 H CYS A 111 8.961 7.176 0.530 1.00 73.43 H new ATOM 0 HA CYS A 111 9.416 5.120 -1.495 1.00 52.22 H new ATOM 0 HB2 CYS A 111 9.234 8.109 -1.371 1.00 30.30 H new ATOM 0 HB3 CYS A 111 10.245 7.424 -2.628 1.00 30.30 H new ATOM 1813 N ASP A 112 11.869 4.903 -1.385 1.00 64.11 N ATOM 1814 CA ASP A 112 13.312 4.710 -1.291 1.00 51.12 C ATOM 1815 C ASP A 112 13.891 4.277 -2.634 1.00 22.45 C ATOM 1816 O ASP A 112 13.206 3.653 -3.444 1.00 11.21 O ATOM 1817 CB ASP A 112 13.640 3.669 -0.220 1.00 33.34 C ATOM 1818 CG ASP A 112 14.987 3.912 0.431 1.00 53.42 C ATOM 1819 OD1 ASP A 112 15.887 4.445 -0.250 1.00 71.01 O ATOM 1820 OD2 ASP A 112 15.141 3.570 1.622 1.00 14.44 O ATOM 0 H ASP A 112 11.374 4.152 -1.866 1.00 64.11 H new ATOM 0 HA ASP A 112 13.764 5.662 -1.011 1.00 51.12 H new ATOM 0 HB2 ASP A 112 12.863 3.681 0.544 1.00 33.34 H new ATOM 0 HB3 ASP A 112 13.630 2.676 -0.668 1.00 33.34 H new ATOM 1825 N ASN A 113 15.156 4.613 -2.863 1.00 20.31 N ATOM 1826 CA ASN A 113 15.828 4.259 -4.109 1.00 34.04 C ATOM 1827 C ASN A 113 15.735 2.759 -4.370 1.00 71.20 C ATOM 1828 O ASN A 113 16.412 1.962 -3.720 1.00 40.31 O ATOM 1829 CB ASN A 113 17.295 4.690 -4.062 1.00 33.32 C ATOM 1830 CG ASN A 113 17.452 6.188 -3.888 1.00 20.10 C ATOM 1831 OD1 ASN A 113 17.207 6.728 -2.809 1.00 32.52 O ATOM 1832 ND2 ASN A 113 17.863 6.868 -4.952 1.00 14.10 N ATOM 0 H ASN A 113 15.737 5.130 -2.203 1.00 20.31 H new ATOM 0 HA ASN A 113 15.328 4.783 -4.924 1.00 34.04 H new ATOM 0 HB2 ASN A 113 17.795 4.177 -3.241 1.00 33.32 H new ATOM 0 HB3 ASN A 113 17.792 4.380 -4.981 1.00 33.32 H new ATOM 0 HD21 ASN A 113 17.987 7.879 -4.895 1.00 14.10 H new ATOM 0 HD22 ASN A 113 18.055 6.380 -5.827 1.00 14.10 H new ATOM 1839 N ARG A 114 14.892 2.381 -5.326 1.00 50.53 N ATOM 1840 CA ARG A 114 14.710 0.977 -5.673 1.00 70.02 C ATOM 1841 C ARG A 114 15.505 0.619 -6.925 1.00 43.34 C ATOM 1842 O ARG A 114 16.118 1.484 -7.551 1.00 22.11 O ATOM 1843 CB ARG A 114 13.227 0.672 -5.892 1.00 71.34 C ATOM 1844 CG ARG A 114 12.488 0.295 -4.620 1.00 15.34 C ATOM 1845 CD ARG A 114 13.243 -0.761 -3.828 1.00 62.22 C ATOM 1846 NE ARG A 114 13.823 -1.784 -4.696 1.00 14.52 N ATOM 1847 CZ ARG A 114 14.839 -2.561 -4.336 1.00 70.44 C ATOM 1848 NH1 ARG A 114 15.384 -2.434 -3.135 1.00 14.31 N ATOM 1849 NH2 ARG A 114 15.312 -3.468 -5.181 1.00 22.42 N ATOM 0 H ARG A 114 14.325 3.028 -5.874 1.00 50.53 H new ATOM 0 HA ARG A 114 15.079 0.373 -4.844 1.00 70.02 H new ATOM 0 HB2 ARG A 114 12.747 1.544 -6.336 1.00 71.34 H new ATOM 0 HB3 ARG A 114 13.135 -0.142 -6.611 1.00 71.34 H new ATOM 0 HG2 ARG A 114 12.348 1.183 -4.003 1.00 15.34 H new ATOM 0 HG3 ARG A 114 11.495 -0.078 -4.872 1.00 15.34 H new ATOM 0 HD2 ARG A 114 14.035 -0.284 -3.250 1.00 62.22 H new ATOM 0 HD3 ARG A 114 12.567 -1.232 -3.114 1.00 62.22 H new ATOM 0 HE ARG A 114 13.427 -1.908 -5.628 1.00 14.52 H new ATOM 0 HH11 ARG A 114 15.024 -1.738 -2.483 1.00 14.31 H new ATOM 0 HH12 ARG A 114 16.164 -3.033 -2.863 1.00 14.31 H new ATOM 0 HH21 ARG A 114 14.896 -3.569 -6.107 1.00 22.42 H new ATOM 0 HH22 ARG A 114 16.092 -4.065 -4.905 1.00 22.42 H new ATOM 1863 N ASP A 115 15.490 -0.660 -7.284 1.00 32.04 N ATOM 1864 CA ASP A 115 16.209 -1.133 -8.461 1.00 73.23 C ATOM 1865 C ASP A 115 15.776 -0.366 -9.706 1.00 52.31 C ATOM 1866 O ASP A 115 14.603 -0.039 -9.888 1.00 34.14 O ATOM 1867 CB ASP A 115 15.973 -2.631 -8.662 1.00 13.25 C ATOM 1868 CG ASP A 115 17.163 -3.325 -9.296 1.00 11.51 C ATOM 1869 OD1 ASP A 115 17.226 -3.373 -10.542 1.00 44.53 O ATOM 1870 OD2 ASP A 115 18.030 -3.817 -8.546 1.00 11.42 O ATOM 0 H ASP A 115 14.987 -1.388 -6.776 1.00 32.04 H new ATOM 0 HA ASP A 115 17.273 -0.959 -8.300 1.00 73.23 H new ATOM 0 HB2 ASP A 115 15.757 -3.094 -7.699 1.00 13.25 H new ATOM 0 HB3 ASP A 115 15.094 -2.776 -9.290 1.00 13.25 H new ATOM 1875 N PRO A 116 16.744 -0.069 -10.586 1.00 63.01 N ATOM 1876 CA PRO A 116 16.488 0.664 -11.829 1.00 74.20 C ATOM 1877 C PRO A 116 15.692 -0.161 -12.834 1.00 62.41 C ATOM 1878 O PRO A 116 15.437 0.283 -13.954 1.00 41.53 O ATOM 1879 CB PRO A 116 17.892 0.953 -12.367 1.00 12.14 C ATOM 1880 CG PRO A 116 18.748 -0.118 -11.785 1.00 12.10 C ATOM 1881 CD PRO A 116 18.165 -0.427 -10.434 1.00 22.34 C ATOM 0 HA PRO A 116 15.890 1.559 -11.658 1.00 74.20 H new ATOM 0 HB2 PRO A 116 17.912 0.927 -13.457 1.00 12.14 H new ATOM 0 HB3 PRO A 116 18.236 1.942 -12.065 1.00 12.14 H new ATOM 0 HG2 PRO A 116 18.751 -1.004 -12.420 1.00 12.10 H new ATOM 0 HG3 PRO A 116 19.782 0.214 -11.697 1.00 12.10 H new ATOM 0 HD2 PRO A 116 18.289 -1.478 -10.174 1.00 22.34 H new ATOM 0 HD3 PRO A 116 18.644 0.155 -9.647 1.00 22.34 H new ATOM 1889 N ARG A 117 15.301 -1.365 -12.428 1.00 12.01 N ATOM 1890 CA ARG A 117 14.535 -2.251 -13.295 1.00 21.42 C ATOM 1891 C ARG A 117 13.040 -2.132 -13.011 1.00 11.31 C ATOM 1892 O ARG A 117 12.211 -2.359 -13.890 1.00 61.33 O ATOM 1893 CB ARG A 117 14.986 -3.701 -13.104 1.00 13.32 C ATOM 1894 CG ARG A 117 14.499 -4.324 -11.806 1.00 4.53 C ATOM 1895 CD ARG A 117 14.288 -5.822 -11.952 1.00 21.44 C ATOM 1896 NE ARG A 117 14.219 -6.495 -10.657 1.00 32.20 N ATOM 1897 CZ ARG A 117 14.108 -7.811 -10.517 1.00 35.12 C ATOM 1898 NH1 ARG A 117 14.055 -8.593 -11.587 1.00 35.33 N ATOM 1899 NH2 ARG A 117 14.051 -8.349 -9.305 1.00 14.12 N ATOM 0 H ARG A 117 15.502 -1.748 -11.505 1.00 12.01 H new ATOM 0 HA ARG A 117 14.716 -1.953 -14.328 1.00 21.42 H new ATOM 0 HB2 ARG A 117 14.625 -4.298 -13.942 1.00 13.32 H new ATOM 0 HB3 ARG A 117 16.075 -3.740 -13.130 1.00 13.32 H new ATOM 0 HG2 ARG A 117 15.224 -4.133 -11.015 1.00 4.53 H new ATOM 0 HG3 ARG A 117 13.565 -3.852 -11.503 1.00 4.53 H new ATOM 0 HD2 ARG A 117 13.367 -6.006 -12.505 1.00 21.44 H new ATOM 0 HD3 ARG A 117 15.103 -6.247 -12.538 1.00 21.44 H new ATOM 0 HE ARG A 117 14.258 -5.922 -9.814 1.00 32.20 H new ATOM 0 HH11 ARG A 117 14.100 -8.184 -12.520 1.00 35.33 H new ATOM 0 HH12 ARG A 117 13.970 -9.603 -11.477 1.00 35.33 H new ATOM 0 HH21 ARG A 117 14.092 -7.752 -8.479 1.00 14.12 H new ATOM 0 HH22 ARG A 117 13.966 -9.360 -9.199 1.00 14.12 H new ATOM 1913 N ASP A 118 12.705 -1.773 -11.776 1.00 41.34 N ATOM 1914 CA ASP A 118 11.311 -1.622 -11.376 1.00 13.04 C ATOM 1915 C ASP A 118 10.746 -0.291 -11.863 1.00 64.32 C ATOM 1916 O ASP A 118 9.615 -0.223 -12.341 1.00 73.31 O ATOM 1917 CB ASP A 118 11.182 -1.718 -9.854 1.00 71.41 C ATOM 1918 CG ASP A 118 11.005 -3.147 -9.378 1.00 42.14 C ATOM 1919 OD1 ASP A 118 10.343 -3.931 -10.089 1.00 74.10 O ATOM 1920 OD2 ASP A 118 11.528 -3.480 -8.294 1.00 33.20 O ATOM 0 H ASP A 118 13.380 -1.581 -11.035 1.00 41.34 H new ATOM 0 HA ASP A 118 10.738 -2.428 -11.834 1.00 13.04 H new ATOM 0 HB2 ASP A 118 12.070 -1.290 -9.389 1.00 71.41 H new ATOM 0 HB3 ASP A 118 10.331 -1.121 -9.526 1.00 71.41 H new ATOM 1925 N SER A 119 11.544 0.765 -11.738 1.00 15.23 N ATOM 1926 CA SER A 119 11.122 2.096 -12.161 1.00 64.11 C ATOM 1927 C SER A 119 12.205 2.768 -12.999 1.00 32.53 C ATOM 1928 O SER A 119 13.093 3.446 -12.483 1.00 42.44 O ATOM 1929 CB SER A 119 10.793 2.961 -10.942 1.00 62.04 C ATOM 1930 OG SER A 119 9.988 4.068 -11.306 1.00 10.12 O ATOM 0 H SER A 119 12.485 0.725 -11.348 1.00 15.23 H new ATOM 0 HA SER A 119 10.227 1.989 -12.774 1.00 64.11 H new ATOM 0 HB2 SER A 119 10.275 2.360 -10.195 1.00 62.04 H new ATOM 0 HB3 SER A 119 11.716 3.314 -10.483 1.00 62.04 H new ATOM 0 HG SER A 119 9.432 3.829 -12.077 1.00 10.12 H new ATOM 1936 N PRO A 120 12.131 2.575 -14.324 1.00 54.25 N ATOM 1937 CA PRO A 120 13.095 3.155 -15.264 1.00 20.30 C ATOM 1938 C PRO A 120 12.956 4.669 -15.377 1.00 44.25 C ATOM 1939 O PRO A 120 13.899 5.360 -15.763 1.00 62.14 O ATOM 1940 CB PRO A 120 12.741 2.484 -16.594 1.00 3.44 C ATOM 1941 CG PRO A 120 11.306 2.110 -16.459 1.00 54.25 C ATOM 1942 CD PRO A 120 11.098 1.778 -15.009 1.00 3.45 C ATOM 0 HA PRO A 120 14.124 2.988 -14.947 1.00 20.30 H new ATOM 0 HB2 PRO A 120 12.896 3.162 -17.433 1.00 3.44 H new ATOM 0 HB3 PRO A 120 13.363 1.607 -16.773 1.00 3.44 H new ATOM 0 HG2 PRO A 120 10.658 2.931 -16.768 1.00 54.25 H new ATOM 0 HG3 PRO A 120 11.064 1.257 -17.093 1.00 54.25 H new ATOM 0 HD2 PRO A 120 10.096 2.047 -14.675 1.00 3.45 H new ATOM 0 HD3 PRO A 120 11.222 0.712 -14.819 1.00 3.45 H new ATOM 1950 N ARG A 121 11.777 5.178 -15.037 1.00 63.31 N ATOM 1951 CA ARG A 121 11.516 6.611 -15.102 1.00 24.14 C ATOM 1952 C ARG A 121 11.718 7.262 -13.737 1.00 41.22 C ATOM 1953 O ARG A 121 12.485 8.216 -13.600 1.00 63.31 O ATOM 1954 CB ARG A 121 10.091 6.869 -15.596 1.00 22.22 C ATOM 1955 CG ARG A 121 9.017 6.319 -14.672 1.00 3.33 C ATOM 1956 CD ARG A 121 7.687 6.167 -15.392 1.00 64.45 C ATOM 1957 NE ARG A 121 7.015 7.450 -15.580 1.00 24.12 N ATOM 1958 CZ ARG A 121 6.035 7.645 -16.455 1.00 0.55 C ATOM 1959 NH1 ARG A 121 5.613 6.647 -17.217 1.00 73.10 N ATOM 1960 NH2 ARG A 121 5.474 8.843 -16.567 1.00 31.32 N ATOM 0 H ARG A 121 10.987 4.620 -14.714 1.00 63.31 H new ATOM 0 HA ARG A 121 12.223 7.053 -15.805 1.00 24.14 H new ATOM 0 HB2 ARG A 121 9.944 7.943 -15.711 1.00 22.22 H new ATOM 0 HB3 ARG A 121 9.972 6.423 -16.584 1.00 22.22 H new ATOM 0 HG2 ARG A 121 9.333 5.352 -14.281 1.00 3.33 H new ATOM 0 HG3 ARG A 121 8.895 6.984 -13.817 1.00 3.33 H new ATOM 0 HD2 ARG A 121 7.852 5.699 -16.362 1.00 64.45 H new ATOM 0 HD3 ARG A 121 7.041 5.500 -14.822 1.00 64.45 H new ATOM 0 HE ARG A 121 7.315 8.240 -15.008 1.00 24.12 H new ATOM 0 HH11 ARG A 121 6.041 5.725 -17.133 1.00 73.10 H new ATOM 0 HH12 ARG A 121 4.860 6.801 -17.888 1.00 73.10 H new ATOM 0 HH21 ARG A 121 5.796 9.614 -15.981 1.00 31.32 H new ATOM 0 HH22 ARG A 121 4.721 8.993 -17.239 1.00 31.32 H new ATOM 1974 N TYR A 122 11.027 6.741 -12.730 1.00 14.24 N ATOM 1975 CA TYR A 122 11.127 7.274 -11.376 1.00 64.05 C ATOM 1976 C TYR A 122 12.282 6.624 -10.621 1.00 2.25 C ATOM 1977 O TYR A 122 12.435 5.403 -10.598 1.00 31.33 O ATOM 1978 CB TYR A 122 9.818 7.051 -10.619 1.00 33.44 C ATOM 1979 CG TYR A 122 8.583 7.295 -11.457 1.00 2.40 C ATOM 1980 CD1 TYR A 122 8.191 8.586 -11.791 1.00 61.34 C ATOM 1981 CD2 TYR A 122 7.810 6.236 -11.916 1.00 60.01 C ATOM 1982 CE1 TYR A 122 7.065 8.814 -12.557 1.00 33.14 C ATOM 1983 CE2 TYR A 122 6.682 6.455 -12.684 1.00 24.04 C ATOM 1984 CZ TYR A 122 6.314 7.746 -13.001 1.00 33.14 C ATOM 1985 OH TYR A 122 5.190 7.969 -13.764 1.00 64.33 O ATOM 0 H TYR A 122 10.391 5.949 -12.825 1.00 14.24 H new ATOM 0 HA TYR A 122 11.319 8.345 -11.447 1.00 64.05 H new ATOM 0 HB2 TYR A 122 9.795 6.028 -10.243 1.00 33.44 H new ATOM 0 HB3 TYR A 122 9.794 7.710 -9.751 1.00 33.44 H new ATOM 0 HD1 TYR A 122 8.777 9.425 -11.446 1.00 61.34 H new ATOM 0 HD2 TYR A 122 8.095 5.224 -11.668 1.00 60.01 H new ATOM 0 HE1 TYR A 122 6.774 9.824 -12.807 1.00 33.14 H new ATOM 0 HE2 TYR A 122 6.092 5.620 -13.034 1.00 24.04 H new ATOM 0 HH TYR A 122 5.070 8.933 -13.895 1.00 64.33 H new ATOM 1995 N PRO A 123 13.117 7.460 -9.985 1.00 11.12 N ATOM 1996 CA PRO A 123 14.273 6.991 -9.215 1.00 62.11 C ATOM 1997 C PRO A 123 13.862 6.272 -7.935 1.00 63.11 C ATOM 1998 O PRO A 123 14.412 5.223 -7.598 1.00 22.24 O ATOM 1999 CB PRO A 123 15.027 8.282 -8.885 1.00 33.23 C ATOM 2000 CG PRO A 123 13.985 9.347 -8.917 1.00 50.31 C ATOM 2001 CD PRO A 123 12.996 8.928 -9.969 1.00 62.24 C ATOM 0 HA PRO A 123 14.867 6.265 -9.771 1.00 62.11 H new ATOM 0 HB2 PRO A 123 15.503 8.223 -7.906 1.00 33.23 H new ATOM 0 HB3 PRO A 123 15.815 8.477 -9.612 1.00 33.23 H new ATOM 0 HG2 PRO A 123 13.501 9.449 -7.945 1.00 50.31 H new ATOM 0 HG3 PRO A 123 14.424 10.315 -9.158 1.00 50.31 H new ATOM 0 HD2 PRO A 123 11.984 9.245 -9.718 1.00 62.24 H new ATOM 0 HD3 PRO A 123 13.234 9.362 -10.940 1.00 62.24 H new ATOM 2009 N VAL A 124 12.894 6.841 -7.225 1.00 13.13 N ATOM 2010 CA VAL A 124 12.409 6.253 -5.982 1.00 42.03 C ATOM 2011 C VAL A 124 11.008 5.677 -6.157 1.00 41.12 C ATOM 2012 O VAL A 124 10.260 6.091 -7.043 1.00 51.34 O ATOM 2013 CB VAL A 124 12.388 7.287 -4.842 1.00 43.11 C ATOM 2014 CG1 VAL A 124 11.054 8.016 -4.805 1.00 33.52 C ATOM 2015 CG2 VAL A 124 12.675 6.616 -3.508 1.00 25.50 C ATOM 0 H VAL A 124 12.429 7.710 -7.489 1.00 13.13 H new ATOM 0 HA VAL A 124 13.099 5.451 -5.721 1.00 42.03 H new ATOM 0 HB VAL A 124 13.171 8.022 -5.029 1.00 43.11 H new ATOM 0 HG11 VAL A 124 11.059 8.743 -3.992 1.00 33.52 H new ATOM 0 HG12 VAL A 124 10.895 8.532 -5.752 1.00 33.52 H new ATOM 0 HG13 VAL A 124 10.251 7.297 -4.644 1.00 33.52 H new ATOM 0 HG21 VAL A 124 12.656 7.362 -2.714 1.00 25.50 H new ATOM 0 HG22 VAL A 124 11.917 5.858 -3.312 1.00 25.50 H new ATOM 0 HG23 VAL A 124 13.658 6.146 -3.541 1.00 25.50 H new ATOM 2025 N VAL A 125 10.657 4.719 -5.305 1.00 62.14 N ATOM 2026 CA VAL A 125 9.344 4.087 -5.363 1.00 44.20 C ATOM 2027 C VAL A 125 8.856 3.705 -3.971 1.00 52.31 C ATOM 2028 O VAL A 125 9.642 3.463 -3.054 1.00 64.43 O ATOM 2029 CB VAL A 125 9.367 2.827 -6.250 1.00 41.14 C ATOM 2030 CG1 VAL A 125 9.623 3.202 -7.702 1.00 33.12 C ATOM 2031 CG2 VAL A 125 10.415 1.844 -5.751 1.00 64.14 C ATOM 0 H VAL A 125 11.264 4.363 -4.566 1.00 62.14 H new ATOM 0 HA VAL A 125 8.660 4.817 -5.797 1.00 44.20 H new ATOM 0 HB VAL A 125 8.392 2.343 -6.191 1.00 41.14 H new ATOM 0 HG11 VAL A 125 9.636 2.300 -8.314 1.00 33.12 H new ATOM 0 HG12 VAL A 125 8.832 3.866 -8.051 1.00 33.12 H new ATOM 0 HG13 VAL A 125 10.585 3.709 -7.783 1.00 33.12 H new ATOM 0 HG21 VAL A 125 10.418 0.960 -6.389 1.00 64.14 H new ATOM 0 HG22 VAL A 125 11.398 2.315 -5.779 1.00 64.14 H new ATOM 0 HG23 VAL A 125 10.182 1.552 -4.727 1.00 64.14 H new ATOM 2041 N PRO A 126 7.526 3.650 -3.804 1.00 43.23 N ATOM 2042 CA PRO A 126 6.902 3.297 -2.527 1.00 0.54 C ATOM 2043 C PRO A 126 7.106 1.830 -2.167 1.00 35.23 C ATOM 2044 O PRO A 126 6.828 0.939 -2.970 1.00 12.03 O ATOM 2045 CB PRO A 126 5.418 3.589 -2.764 1.00 1.20 C ATOM 2046 CG PRO A 126 5.238 3.464 -4.237 1.00 23.32 C ATOM 2047 CD PRO A 126 6.530 3.928 -4.853 1.00 22.51 C ATOM 0 HA PRO A 126 7.333 3.855 -1.696 1.00 0.54 H new ATOM 0 HB2 PRO A 126 4.785 2.883 -2.227 1.00 1.20 H new ATOM 0 HB3 PRO A 126 5.150 4.587 -2.416 1.00 1.20 H new ATOM 0 HG2 PRO A 126 5.020 2.434 -4.517 1.00 23.32 H new ATOM 0 HG3 PRO A 126 4.401 4.072 -4.581 1.00 23.32 H new ATOM 0 HD2 PRO A 126 6.754 3.388 -5.773 1.00 22.51 H new ATOM 0 HD3 PRO A 126 6.497 4.988 -5.106 1.00 22.51 H new ATOM 2055 N VAL A 127 7.593 1.584 -0.954 1.00 54.32 N ATOM 2056 CA VAL A 127 7.833 0.224 -0.488 1.00 5.22 C ATOM 2057 C VAL A 127 7.206 -0.006 0.883 1.00 73.21 C ATOM 2058 O VAL A 127 7.404 -1.053 1.500 1.00 14.43 O ATOM 2059 CB VAL A 127 9.340 -0.085 -0.409 1.00 52.41 C ATOM 2060 CG1 VAL A 127 10.014 0.204 -1.741 1.00 43.23 C ATOM 2061 CG2 VAL A 127 9.989 0.714 0.710 1.00 10.25 C ATOM 0 H VAL A 127 7.829 2.309 -0.277 1.00 54.32 H new ATOM 0 HA VAL A 127 7.370 -0.445 -1.213 1.00 5.22 H new ATOM 0 HB VAL A 127 9.465 -1.145 -0.188 1.00 52.41 H new ATOM 0 HG11 VAL A 127 11.078 -0.020 -1.666 1.00 43.23 H new ATOM 0 HG12 VAL A 127 9.566 -0.416 -2.518 1.00 43.23 H new ATOM 0 HG13 VAL A 127 9.882 1.256 -1.995 1.00 43.23 H new ATOM 0 HG21 VAL A 127 11.054 0.483 0.752 1.00 10.25 H new ATOM 0 HG22 VAL A 127 9.855 1.779 0.521 1.00 10.25 H new ATOM 0 HG23 VAL A 127 9.524 0.453 1.661 1.00 10.25 H new ATOM 2071 N HIS A 128 6.448 0.979 1.353 1.00 51.31 N ATOM 2072 CA HIS A 128 5.790 0.885 2.651 1.00 35.11 C ATOM 2073 C HIS A 128 4.725 1.967 2.801 1.00 42.00 C ATOM 2074 O HIS A 128 4.886 3.084 2.306 1.00 52.12 O ATOM 2075 CB HIS A 128 6.816 1.004 3.777 1.00 44.33 C ATOM 2076 CG HIS A 128 6.209 1.305 5.112 1.00 0.40 C ATOM 2077 ND1 HIS A 128 6.289 0.445 6.187 1.00 54.14 N ATOM 2078 CD2 HIS A 128 5.511 2.382 5.545 1.00 30.11 C ATOM 2079 CE1 HIS A 128 5.664 0.978 7.223 1.00 64.44 C ATOM 2080 NE2 HIS A 128 5.184 2.153 6.859 1.00 1.10 N ATOM 0 H HIS A 128 6.274 1.852 0.854 1.00 51.31 H new ATOM 0 HA HIS A 128 5.304 -0.089 2.714 1.00 35.11 H new ATOM 0 HB2 HIS A 128 7.378 0.073 3.845 1.00 44.33 H new ATOM 0 HB3 HIS A 128 7.529 1.789 3.526 1.00 44.33 H new ATOM 0 HD2 HIS A 128 5.259 3.257 4.965 1.00 30.11 H new ATOM 0 HE1 HIS A 128 5.563 0.529 8.200 1.00 64.44 H new ATOM 0 HE2 HIS A 128 4.656 2.788 7.457 1.00 1.10 H new ATOM 2089 N LEU A 129 3.638 1.630 3.485 1.00 34.00 N ATOM 2090 CA LEU A 129 2.545 2.573 3.700 1.00 42.34 C ATOM 2091 C LEU A 129 2.250 2.735 5.187 1.00 2.24 C ATOM 2092 O LEU A 129 1.778 1.805 5.843 1.00 71.24 O ATOM 2093 CB LEU A 129 1.288 2.103 2.968 1.00 73.54 C ATOM 2094 CG LEU A 129 0.200 3.156 2.758 1.00 51.42 C ATOM 2095 CD1 LEU A 129 -0.554 3.412 4.054 1.00 5.30 C ATOM 2096 CD2 LEU A 129 0.804 4.449 2.226 1.00 31.23 C ATOM 0 H LEU A 129 3.489 0.711 3.901 1.00 34.00 H new ATOM 0 HA LEU A 129 2.850 3.541 3.301 1.00 42.34 H new ATOM 0 HB2 LEU A 129 1.583 1.715 1.993 1.00 73.54 H new ATOM 0 HB3 LEU A 129 0.857 1.271 3.525 1.00 73.54 H new ATOM 0 HG LEU A 129 -0.507 2.777 2.020 1.00 51.42 H new ATOM 0 HD11 LEU A 129 -1.324 4.164 3.884 1.00 5.30 H new ATOM 0 HD12 LEU A 129 -1.019 2.486 4.393 1.00 5.30 H new ATOM 0 HD13 LEU A 129 0.140 3.769 4.815 1.00 5.30 H new ATOM 0 HD21 LEU A 129 0.015 5.187 2.082 1.00 31.23 H new ATOM 0 HD22 LEU A 129 1.533 4.831 2.941 1.00 31.23 H new ATOM 0 HD23 LEU A 129 1.297 4.255 1.273 1.00 31.23 H new ATOM 2108 N ASP A 130 2.530 3.922 5.715 1.00 23.03 N ATOM 2109 CA ASP A 130 2.291 4.207 7.125 1.00 43.13 C ATOM 2110 C ASP A 130 0.797 4.277 7.420 1.00 34.35 C ATOM 2111 O ASP A 130 0.283 3.535 8.259 1.00 42.42 O ATOM 2112 CB ASP A 130 2.964 5.523 7.522 1.00 21.14 C ATOM 2113 CG ASP A 130 4.355 5.314 8.088 1.00 12.42 C ATOM 2114 OD1 ASP A 130 4.566 4.298 8.783 1.00 62.31 O ATOM 2115 OD2 ASP A 130 5.232 6.167 7.839 1.00 1.50 O ATOM 0 H ASP A 130 2.923 4.702 5.188 1.00 23.03 H new ATOM 0 HA ASP A 130 2.721 3.396 7.712 1.00 43.13 H new ATOM 0 HB2 ASP A 130 3.024 6.175 6.650 1.00 21.14 H new ATOM 0 HB3 ASP A 130 2.347 6.035 8.261 1.00 21.14 H new ATOM 2120 N THR A 131 0.102 5.173 6.727 1.00 41.13 N ATOM 2121 CA THR A 131 -1.333 5.341 6.915 1.00 1.24 C ATOM 2122 C THR A 131 -1.922 6.268 5.859 1.00 53.12 C ATOM 2123 O THR A 131 -1.201 6.807 5.018 1.00 51.53 O ATOM 2124 CB THR A 131 -1.653 5.905 8.313 1.00 63.30 C ATOM 2125 OG1 THR A 131 -2.973 5.513 8.708 1.00 2.44 O ATOM 2126 CG2 THR A 131 -1.546 7.422 8.321 1.00 3.40 C ATOM 0 H THR A 131 0.511 5.795 6.029 1.00 41.13 H new ATOM 0 HA THR A 131 -1.782 4.353 6.817 1.00 1.24 H new ATOM 0 HB THR A 131 -0.927 5.501 9.019 1.00 63.30 H new ATOM 0 HG1 THR A 131 -3.169 5.874 9.598 1.00 2.44 H new ATOM 0 HG21 THR A 131 -1.776 7.798 9.318 1.00 3.40 H new ATOM 0 HG22 THR A 131 -0.533 7.717 8.047 1.00 3.40 H new ATOM 0 HG23 THR A 131 -2.252 7.840 7.604 1.00 3.40 H new ATOM 2134 N THR A 132 -3.238 6.452 5.905 1.00 45.32 N ATOM 2135 CA THR A 132 -3.924 7.314 4.951 1.00 20.03 C ATOM 2136 C THR A 132 -4.687 8.425 5.665 1.00 63.44 C ATOM 2137 O THR A 132 -5.657 8.165 6.376 1.00 54.01 O ATOM 2138 CB THR A 132 -4.905 6.513 4.075 1.00 72.12 C ATOM 2139 OG1 THR A 132 -5.588 5.538 4.870 1.00 0.00 O ATOM 2140 CG2 THR A 132 -4.172 5.822 2.935 1.00 43.21 C ATOM 0 H THR A 132 -3.850 6.015 6.594 1.00 45.32 H new ATOM 0 HA THR A 132 -3.157 7.755 4.314 1.00 20.03 H new ATOM 0 HB THR A 132 -5.630 7.208 3.651 1.00 72.12 H new ATOM 0 HG1 THR A 132 -5.905 5.955 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 132 -4.885 5.262 2.330 1.00 43.21 H new ATOM 0 HG22 THR A 132 -3.677 6.569 2.315 1.00 43.21 H new ATOM 0 HG23 THR A 132 -3.427 5.138 3.343 1.00 43.21 H new ATOM 2148 N ILE A 133 -4.244 9.662 5.467 1.00 24.13 N ATOM 2149 CA ILE A 133 -4.887 10.811 6.091 1.00 44.55 C ATOM 2150 C ILE A 133 -5.079 11.944 5.089 1.00 63.35 C ATOM 2151 O ILE A 133 -4.311 12.906 5.067 1.00 5.34 O ATOM 2152 CB ILE A 133 -4.070 11.333 7.287 1.00 34.14 C ATOM 2153 CG1 ILE A 133 -4.757 12.551 7.910 1.00 61.43 C ATOM 2154 CG2 ILE A 133 -2.655 11.682 6.851 1.00 24.11 C ATOM 2155 CD1 ILE A 133 -4.008 13.130 9.089 1.00 30.12 C ATOM 0 H ILE A 133 -3.443 9.894 4.880 1.00 24.13 H new ATOM 0 HA ILE A 133 -5.861 10.473 6.446 1.00 44.55 H new ATOM 0 HB ILE A 133 -4.014 10.547 8.040 1.00 34.14 H new ATOM 0 HG12 ILE A 133 -4.872 13.322 7.148 1.00 61.43 H new ATOM 0 HG13 ILE A 133 -5.760 12.268 8.230 1.00 61.43 H new ATOM 0 HG21 ILE A 133 -2.090 12.049 7.708 1.00 24.11 H new ATOM 0 HG22 ILE A 133 -2.168 10.793 6.450 1.00 24.11 H new ATOM 0 HG23 ILE A 133 -2.691 12.454 6.082 1.00 24.11 H new ATOM 0 HD11 ILE A 133 -4.553 13.990 9.480 1.00 30.12 H new ATOM 0 HD12 ILE A 133 -3.916 12.374 9.869 1.00 30.12 H new ATOM 0 HD13 ILE A 133 -3.014 13.445 8.770 1.00 30.12 H new TER 2167 ILE A 133