USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1035 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 52 GLN : amide:sc= -6.3! K(o=-15!,f=-6.7) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.491 USER MOD Set 1.3: A 107 MET CE :methyl -172:sc= -7.81! (180deg=-6.07!) USER MOD Single : A 1 SER N :NH3+ -173:sc= -0.103 (180deg=-0.17) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -40:sc= 0.192 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0853) USER MOD Single : A 14 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.87) USER MOD Single : A 16 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 50:sc= -3.47! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 151:sc= -0.759 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 148:sc= -0.867 (180deg=-3.16!) USER MOD Single : A 42 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.7) USER MOD Single : A 45 SER OG : rot -116:sc= 1.21 USER MOD Single : A 47 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-1.7) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.29! C(o=-2.3!,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.105 USER MOD Single : A 61 HIS : no HE2:sc= 0.161 K(o=0.16,f=-0.74) USER MOD Single : A 62 THR OG1 : rot -150:sc= 0.101 USER MOD Single : A 64 SER OG : rot -126:sc= -0.0743 USER MOD Single : A 70 ASN : amide:sc= -2.29! C(o=-2.3!,f=-4.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -34:sc= 0.41 USER MOD Single : A 84 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-3.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -2.01 USER MOD Single : A 89 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -76:sc= 1.32 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl -168:sc= 0 (180deg=-0.0159) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -3.71 K(o=-3.7,f=-8.3!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -49:sc= 0.00308 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.676 -22.107 6.728 1.00 0.00 N ATOM 2 CA SER A 1 -0.358 -23.291 5.890 1.00 0.00 C ATOM 3 C SER A 1 0.157 -22.874 4.516 1.00 0.00 C ATOM 4 O SER A 1 0.692 -23.692 3.767 1.00 0.00 O ATOM 5 CB SER A 1 -1.624 -24.139 5.743 1.00 0.00 C ATOM 6 OG SER A 1 -1.865 -24.901 6.914 1.00 0.00 O ATOM 0 H1 SER A 1 -0.910 -22.417 7.693 1.00 0.00 H new ATOM 0 H2 SER A 1 0.147 -21.472 6.758 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.488 -21.601 6.321 1.00 0.00 H new ATOM 0 HA SER A 1 0.429 -23.869 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.478 -23.492 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.522 -24.805 4.886 1.00 0.00 H new ATOM 0 HG SER A 1 -2.680 -25.433 6.796 1.00 0.00 H new ATOM 14 N GLY A 2 -0.008 -21.595 4.192 1.00 0.00 N ATOM 15 CA GLY A 2 0.446 -21.090 2.909 1.00 0.00 C ATOM 16 C GLY A 2 -0.696 -20.864 1.938 1.00 0.00 C ATOM 17 O GLY A 2 -0.478 -20.461 0.795 1.00 0.00 O ATOM 0 H GLY A 2 -0.448 -20.900 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.981 -20.153 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.154 -21.795 2.474 1.00 0.00 H new ATOM 21 N PHE A 3 -1.918 -21.125 2.394 1.00 0.00 N ATOM 22 CA PHE A 3 -3.100 -20.948 1.558 1.00 0.00 C ATOM 23 C PHE A 3 -3.829 -19.656 1.913 1.00 0.00 C ATOM 24 O PHE A 3 -4.993 -19.471 1.557 1.00 0.00 O ATOM 25 CB PHE A 3 -4.045 -22.140 1.715 1.00 0.00 C ATOM 26 CG PHE A 3 -3.714 -23.293 0.810 1.00 0.00 C ATOM 27 CD1 PHE A 3 -4.161 -23.311 -0.501 1.00 0.00 C ATOM 28 CD2 PHE A 3 -2.956 -24.357 1.270 1.00 0.00 C ATOM 29 CE1 PHE A 3 -3.858 -24.370 -1.337 1.00 0.00 C ATOM 30 CE2 PHE A 3 -2.650 -25.418 0.440 1.00 0.00 C ATOM 31 CZ PHE A 3 -3.101 -25.424 -0.865 1.00 0.00 C ATOM 0 H PHE A 3 -2.115 -21.460 3.337 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.774 -20.886 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -4.017 -22.481 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -5.065 -21.813 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.753 -22.489 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -2.600 -24.357 2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.213 -24.373 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.059 -26.242 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.862 -26.252 -1.516 1.00 0.00 H new ATOM 41 N VAL A 4 -3.136 -18.766 2.614 1.00 0.00 N ATOM 42 CA VAL A 4 -3.716 -17.489 3.017 1.00 0.00 C ATOM 43 C VAL A 4 -4.054 -16.634 1.802 1.00 0.00 C ATOM 44 O VAL A 4 -3.281 -16.563 0.846 1.00 0.00 O ATOM 45 CB VAL A 4 -2.761 -16.702 3.936 1.00 0.00 C ATOM 46 CG1 VAL A 4 -3.481 -15.522 4.570 1.00 0.00 C ATOM 47 CG2 VAL A 4 -2.174 -17.613 5.004 1.00 0.00 C ATOM 0 H VAL A 4 -2.171 -18.905 2.915 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.630 -17.715 3.566 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.941 -16.316 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.791 -14.979 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.847 -14.856 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.322 -15.884 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.503 -17.039 5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.979 -18.032 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.619 -18.421 4.528 1.00 0.00 H new ATOM 57 N CYS A 5 -5.214 -15.986 1.844 1.00 0.00 N ATOM 58 CA CYS A 5 -5.656 -15.135 0.745 1.00 0.00 C ATOM 59 C CYS A 5 -6.473 -13.955 1.261 1.00 0.00 C ATOM 60 O CYS A 5 -7.033 -14.011 2.357 1.00 0.00 O ATOM 61 CB CYS A 5 -6.485 -15.947 -0.252 1.00 0.00 C ATOM 62 SG CYS A 5 -6.810 -15.086 -1.824 1.00 0.00 S ATOM 0 H CYS A 5 -5.865 -16.034 2.628 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.771 -14.746 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.966 -16.882 -0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.437 -16.208 0.211 1.00 0.00 H new ATOM 67 N ASN A 6 -6.522 -12.887 0.465 1.00 0.00 N ATOM 68 CA ASN A 6 -7.256 -11.677 0.826 1.00 0.00 C ATOM 69 C ASN A 6 -6.506 -10.910 1.902 1.00 0.00 C ATOM 70 O ASN A 6 -6.966 -10.795 3.039 1.00 0.00 O ATOM 71 CB ASN A 6 -8.674 -12.013 1.298 1.00 0.00 C ATOM 72 CG ASN A 6 -9.596 -12.375 0.151 1.00 0.00 C ATOM 73 OD1 ASN A 6 -10.201 -11.504 -0.476 1.00 0.00 O ATOM 74 ND2 ASN A 6 -9.709 -13.668 -0.132 1.00 0.00 N ATOM 0 H ASN A 6 -6.057 -12.837 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.337 -11.050 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.632 -12.844 2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.086 -11.159 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.315 -13.972 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -9.190 -14.357 0.413 1.00 0.00 H new ATOM 81 N THR A 7 -5.338 -10.396 1.533 1.00 0.00 N ATOM 82 CA THR A 7 -4.508 -9.648 2.461 1.00 0.00 C ATOM 83 C THR A 7 -5.084 -8.259 2.722 1.00 0.00 C ATOM 84 O THR A 7 -4.472 -7.444 3.412 1.00 0.00 O ATOM 85 CB THR A 7 -3.082 -9.527 1.918 1.00 0.00 C ATOM 86 OG1 THR A 7 -2.179 -9.177 2.952 1.00 0.00 O ATOM 87 CG2 THR A 7 -2.943 -8.493 0.819 1.00 0.00 C ATOM 0 H THR A 7 -4.947 -10.486 0.595 1.00 0.00 H new ATOM 0 HA THR A 7 -4.488 -10.192 3.405 1.00 0.00 H new ATOM 0 HB THR A 7 -2.848 -10.508 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.599 -8.519 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.908 -8.459 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.590 -8.761 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.232 -7.514 1.202 1.00 0.00 H new ATOM 95 N CYS A 8 -6.258 -7.991 2.158 1.00 0.00 N ATOM 96 CA CYS A 8 -6.904 -6.695 2.325 1.00 0.00 C ATOM 97 C CYS A 8 -8.260 -6.835 3.023 1.00 0.00 C ATOM 98 O CYS A 8 -9.308 -6.787 2.379 1.00 0.00 O ATOM 99 CB CYS A 8 -7.069 -6.014 0.964 1.00 0.00 C ATOM 100 SG CYS A 8 -5.644 -6.240 -0.152 1.00 0.00 S ATOM 0 H CYS A 8 -6.780 -8.653 1.583 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.268 -6.076 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.964 -6.405 0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.231 -4.947 1.119 1.00 0.00 H new ATOM 105 N PRO A 9 -8.249 -7.016 4.358 1.00 0.00 N ATOM 106 CA PRO A 9 -9.474 -7.171 5.152 1.00 0.00 C ATOM 107 C PRO A 9 -10.198 -5.845 5.409 1.00 0.00 C ATOM 108 O PRO A 9 -11.029 -5.422 4.605 1.00 0.00 O ATOM 109 CB PRO A 9 -8.958 -7.768 6.461 1.00 0.00 C ATOM 110 CG PRO A 9 -7.572 -7.239 6.596 1.00 0.00 C ATOM 111 CD PRO A 9 -7.035 -7.097 5.194 1.00 0.00 C ATOM 0 HA PRO A 9 -10.215 -7.785 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.580 -7.470 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.965 -8.858 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.571 -6.279 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.952 -7.917 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.418 -6.204 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.414 -7.948 4.916 1.00 0.00 H new ATOM 119 N GLU A 10 -9.889 -5.201 6.538 1.00 0.00 N ATOM 120 CA GLU A 10 -10.521 -3.931 6.901 1.00 0.00 C ATOM 121 C GLU A 10 -10.193 -2.839 5.880 1.00 0.00 C ATOM 122 O GLU A 10 -10.649 -2.903 4.738 1.00 0.00 O ATOM 123 CB GLU A 10 -10.081 -3.510 8.308 1.00 0.00 C ATOM 124 CG GLU A 10 -10.867 -2.334 8.867 1.00 0.00 C ATOM 125 CD GLU A 10 -12.144 -2.766 9.562 1.00 0.00 C ATOM 126 OE1 GLU A 10 -12.074 -3.657 10.434 1.00 0.00 O ATOM 127 OE2 GLU A 10 -13.215 -2.211 9.236 1.00 0.00 O ATOM 0 H GLU A 10 -9.205 -5.539 7.216 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.602 -4.071 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.187 -4.360 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.022 -3.251 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.242 -1.785 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.113 -1.647 8.057 1.00 0.00 H new ATOM 134 N LYS A 11 -9.400 -1.840 6.284 1.00 0.00 N ATOM 135 CA LYS A 11 -9.024 -0.757 5.378 1.00 0.00 C ATOM 136 C LYS A 11 -8.529 -1.349 4.066 1.00 0.00 C ATOM 137 O LYS A 11 -9.271 -1.380 3.085 1.00 0.00 O ATOM 138 CB LYS A 11 -7.950 0.128 6.016 1.00 0.00 C ATOM 139 CG LYS A 11 -8.104 0.281 7.521 1.00 0.00 C ATOM 140 CD LYS A 11 -6.986 -0.426 8.270 1.00 0.00 C ATOM 141 CE LYS A 11 -7.503 -1.113 9.523 1.00 0.00 C ATOM 142 NZ LYS A 11 -6.548 -2.138 10.029 1.00 0.00 N ATOM 0 H LYS A 11 -9.011 -1.762 7.224 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.895 -0.132 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.968 -0.294 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.982 1.115 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.106 1.339 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.066 -0.126 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.518 -1.162 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.215 0.295 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.680 -0.368 10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.462 -1.585 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.039 -2.773 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.176 -2.690 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.762 -1.667 10.521 1.00 0.00 H new ATOM 155 N TRP A 12 -7.284 -1.838 4.076 1.00 0.00 N ATOM 156 CA TRP A 12 -6.669 -2.483 2.903 1.00 0.00 C ATOM 157 C TRP A 12 -7.732 -2.938 1.896 1.00 0.00 C ATOM 158 O TRP A 12 -8.725 -3.564 2.267 1.00 0.00 O ATOM 159 CB TRP A 12 -5.818 -3.690 3.331 1.00 0.00 C ATOM 160 CG TRP A 12 -5.645 -3.849 4.819 1.00 0.00 C ATOM 161 CD1 TRP A 12 -6.628 -3.892 5.769 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.406 -4.007 5.522 1.00 0.00 C ATOM 163 NE1 TRP A 12 -6.076 -4.051 7.015 1.00 0.00 N ATOM 164 CE2 TRP A 12 -4.714 -4.127 6.892 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.065 -4.055 5.128 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -3.732 -4.292 7.865 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.091 -4.219 6.096 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.429 -4.335 7.450 1.00 0.00 C ATOM 0 H TRP A 12 -6.674 -1.800 4.892 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.029 -1.743 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.274 -4.597 2.934 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.833 -3.602 2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.686 -3.812 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.596 -4.104 7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.795 -3.966 4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.990 -4.383 8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.052 -4.258 5.803 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.645 -4.461 8.182 1.00 0.00 H new ATOM 179 N ILE A 13 -7.525 -2.604 0.622 1.00 0.00 N ATOM 180 CA ILE A 13 -8.476 -2.952 -0.429 1.00 0.00 C ATOM 181 C ILE A 13 -7.769 -3.469 -1.679 1.00 0.00 C ATOM 182 O ILE A 13 -6.906 -2.798 -2.231 1.00 0.00 O ATOM 183 CB ILE A 13 -9.314 -1.715 -0.817 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.017 -0.548 0.142 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.790 -2.060 -0.818 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.178 0.405 0.355 1.00 0.00 C ATOM 0 H ILE A 13 -6.706 -2.092 0.295 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.119 -3.740 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.040 -1.403 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.717 -0.956 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.168 0.015 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.369 -1.179 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.977 -2.857 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.086 -2.393 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.879 1.195 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.467 0.846 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.024 -0.140 0.773 1.00 0.00 H new ATOM 198 N ASN A 14 -8.145 -4.658 -2.134 1.00 0.00 N ATOM 199 CA ASN A 14 -7.531 -5.239 -3.325 1.00 0.00 C ATOM 200 C ASN A 14 -8.448 -5.116 -4.538 1.00 0.00 C ATOM 201 O ASN A 14 -9.672 -5.089 -4.405 1.00 0.00 O ATOM 202 CB ASN A 14 -7.176 -6.706 -3.082 1.00 0.00 C ATOM 203 CG ASN A 14 -6.769 -7.423 -4.355 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.448 -8.345 -4.806 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.655 -7.000 -4.942 1.00 0.00 N ATOM 0 H ASN A 14 -8.866 -5.236 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.617 -4.682 -3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.362 -6.765 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.032 -7.215 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.332 -7.443 -5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.123 -6.232 -4.533 1.00 0.00 H new ATOM 212 N PHE A 15 -7.845 -5.040 -5.722 1.00 0.00 N ATOM 213 CA PHE A 15 -8.601 -4.920 -6.962 1.00 0.00 C ATOM 214 C PHE A 15 -8.156 -5.977 -7.973 1.00 0.00 C ATOM 215 O PHE A 15 -8.116 -7.166 -7.656 1.00 0.00 O ATOM 216 CB PHE A 15 -8.435 -3.515 -7.548 1.00 0.00 C ATOM 217 CG PHE A 15 -8.478 -2.423 -6.517 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.682 -1.844 -6.152 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.313 -1.979 -5.914 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.724 -0.840 -5.203 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.348 -0.977 -4.963 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.555 -0.406 -4.607 1.00 0.00 C ATOM 0 H PHE A 15 -6.833 -5.060 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.655 -5.085 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.485 -3.463 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.222 -3.341 -8.282 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.598 -2.181 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.367 -2.421 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.669 -0.395 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.433 -0.640 -4.498 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.585 0.378 -3.865 1.00 0.00 H new ATOM 232 N GLN A 16 -7.824 -5.543 -9.189 1.00 0.00 N ATOM 233 CA GLN A 16 -7.383 -6.459 -10.234 1.00 0.00 C ATOM 234 C GLN A 16 -6.205 -7.301 -9.756 1.00 0.00 C ATOM 235 O GLN A 16 -6.180 -8.518 -9.949 1.00 0.00 O ATOM 236 CB GLN A 16 -6.994 -5.684 -11.494 1.00 0.00 C ATOM 237 CG GLN A 16 -6.126 -4.466 -11.217 1.00 0.00 C ATOM 238 CD GLN A 16 -6.321 -3.366 -12.242 1.00 0.00 C ATOM 239 OE1 GLN A 16 -7.409 -3.201 -12.794 1.00 0.00 O ATOM 240 NE2 GLN A 16 -5.265 -2.605 -12.502 1.00 0.00 N ATOM 0 H GLN A 16 -7.853 -4.563 -9.472 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.212 -7.126 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.462 -6.352 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.900 -5.364 -12.008 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.357 -4.078 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.078 -4.766 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.382 -2.777 -12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.337 -1.849 -13.182 1.00 0.00 H new ATOM 249 N ARG A 17 -5.233 -6.648 -9.127 1.00 0.00 N ATOM 250 CA ARG A 17 -4.054 -7.338 -8.616 1.00 0.00 C ATOM 251 C ARG A 17 -3.272 -6.446 -7.658 1.00 0.00 C ATOM 252 O ARG A 17 -2.230 -6.843 -7.134 1.00 0.00 O ATOM 253 CB ARG A 17 -3.154 -7.785 -9.770 1.00 0.00 C ATOM 254 CG ARG A 17 -2.787 -9.259 -9.719 1.00 0.00 C ATOM 255 CD ARG A 17 -1.546 -9.495 -8.874 1.00 0.00 C ATOM 256 NE ARG A 17 -0.319 -9.357 -9.652 1.00 0.00 N ATOM 257 CZ ARG A 17 0.651 -10.268 -9.670 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.534 -11.379 -8.955 1.00 0.00 N ATOM 259 NH2 ARG A 17 1.737 -10.067 -10.403 1.00 0.00 N ATOM 0 H ARG A 17 -5.239 -5.642 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.390 -8.218 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.657 -7.577 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.240 -7.191 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.621 -9.829 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.615 -9.628 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.531 -8.786 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.589 -10.493 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.198 -8.514 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.301 -11.536 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.279 -12.076 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.830 -9.214 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.480 -10.766 -10.416 1.00 0.00 H new ATOM 273 N LYS A 18 -3.786 -5.244 -7.429 1.00 0.00 N ATOM 274 CA LYS A 18 -3.154 -4.296 -6.533 1.00 0.00 C ATOM 275 C LYS A 18 -4.040 -4.063 -5.321 1.00 0.00 C ATOM 276 O LYS A 18 -5.246 -4.292 -5.369 1.00 0.00 O ATOM 277 CB LYS A 18 -2.897 -2.977 -7.255 1.00 0.00 C ATOM 278 CG LYS A 18 -4.136 -2.112 -7.386 1.00 0.00 C ATOM 279 CD LYS A 18 -4.120 -1.310 -8.676 1.00 0.00 C ATOM 280 CE LYS A 18 -4.275 0.177 -8.409 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.843 0.897 -9.583 1.00 0.00 N ATOM 0 H LYS A 18 -4.647 -4.905 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.199 -4.705 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.129 -2.420 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.502 -3.186 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.025 -2.742 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.199 -1.434 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.185 -1.490 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.926 -1.650 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.922 0.325 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.304 0.603 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.933 1.909 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.213 0.778 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.781 0.508 -9.808 1.00 0.00 H new ATOM 294 N CYS A 19 -3.440 -3.612 -4.235 1.00 0.00 N ATOM 295 CA CYS A 19 -4.186 -3.357 -3.013 1.00 0.00 C ATOM 296 C CYS A 19 -3.777 -2.033 -2.377 1.00 0.00 C ATOM 297 O CYS A 19 -2.637 -1.590 -2.508 1.00 0.00 O ATOM 298 CB CYS A 19 -3.985 -4.506 -2.019 1.00 0.00 C ATOM 299 SG CYS A 19 -4.968 -4.354 -0.488 1.00 0.00 S ATOM 0 H CYS A 19 -2.441 -3.415 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.242 -3.291 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.241 -5.445 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.929 -4.562 -1.755 1.00 0.00 H new ATOM 304 N TYR A 20 -4.722 -1.417 -1.677 1.00 0.00 N ATOM 305 CA TYR A 20 -4.487 -0.152 -0.997 1.00 0.00 C ATOM 306 C TYR A 20 -4.871 -0.291 0.464 1.00 0.00 C ATOM 307 O TYR A 20 -6.027 -0.554 0.773 1.00 0.00 O ATOM 308 CB TYR A 20 -5.357 0.943 -1.626 1.00 0.00 C ATOM 309 CG TYR A 20 -4.796 1.537 -2.895 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.456 0.731 -3.972 1.00 0.00 C ATOM 311 CD2 TYR A 20 -4.610 2.907 -3.015 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.944 1.274 -5.135 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.099 3.459 -4.174 1.00 0.00 C ATOM 314 CZ TYR A 20 -3.767 2.639 -5.230 1.00 0.00 C ATOM 315 OH TYR A 20 -3.257 3.184 -6.386 1.00 0.00 O ATOM 0 H TYR A 20 -5.669 -1.780 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.434 0.113 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.343 0.529 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.497 1.741 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.594 -0.338 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.869 3.552 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.684 0.634 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.961 4.527 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.196 4.157 -6.290 1.00 0.00 H new ATOM 325 N TYR A 21 -3.929 -0.093 1.370 1.00 0.00 N ATOM 326 CA TYR A 21 -4.258 -0.208 2.779 1.00 0.00 C ATOM 327 C TYR A 21 -4.293 1.146 3.456 1.00 0.00 C ATOM 328 O TYR A 21 -3.273 1.817 3.622 1.00 0.00 O ATOM 329 CB TYR A 21 -3.323 -1.169 3.512 1.00 0.00 C ATOM 330 CG TYR A 21 -1.863 -1.034 3.173 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.341 -1.605 2.021 1.00 0.00 C ATOM 332 CD2 TYR A 21 -1.005 -0.357 4.022 1.00 0.00 C ATOM 333 CE1 TYR A 21 0.002 -1.499 1.723 1.00 0.00 C ATOM 334 CE2 TYR A 21 0.337 -0.250 3.737 1.00 0.00 C ATOM 335 CZ TYR A 21 0.838 -0.821 2.584 1.00 0.00 C ATOM 336 OH TYR A 21 2.178 -0.713 2.294 1.00 0.00 O ATOM 0 H TYR A 21 -2.958 0.141 1.164 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.261 -0.632 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.445 -1.020 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.636 -2.190 3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.995 -2.140 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.395 0.094 4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.396 -1.944 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.995 0.278 4.412 1.00 0.00 H new ATOM 0 HH TYR A 21 2.289 -0.397 1.373 1.00 0.00 H new ATOM 346 N PHE A 22 -5.501 1.526 3.838 1.00 0.00 N ATOM 347 CA PHE A 22 -5.756 2.788 4.505 1.00 0.00 C ATOM 348 C PHE A 22 -5.714 2.588 6.015 1.00 0.00 C ATOM 349 O PHE A 22 -6.733 2.697 6.695 1.00 0.00 O ATOM 350 CB PHE A 22 -7.127 3.308 4.063 1.00 0.00 C ATOM 351 CG PHE A 22 -7.272 3.431 2.564 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.165 3.661 1.765 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.514 3.317 1.956 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.287 3.777 0.392 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.643 3.431 0.582 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.526 3.662 -0.202 1.00 0.00 C ATOM 0 H PHE A 22 -6.338 0.961 3.692 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.993 3.519 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.900 2.638 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.300 4.283 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.190 3.751 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.390 3.137 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.412 3.958 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.616 3.340 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.624 3.752 -1.274 1.00 0.00 H new ATOM 366 N GLY A 23 -4.528 2.274 6.528 1.00 0.00 N ATOM 367 CA GLY A 23 -4.376 2.032 7.947 1.00 0.00 C ATOM 368 C GLY A 23 -4.224 3.308 8.752 1.00 0.00 C ATOM 369 O GLY A 23 -4.179 4.402 8.190 1.00 0.00 O ATOM 0 H GLY A 23 -3.670 2.183 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.243 1.480 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.504 1.399 8.111 1.00 0.00 H new ATOM 373 N LYS A 24 -4.155 3.169 10.075 1.00 0.00 N ATOM 374 CA LYS A 24 -4.016 4.321 10.959 1.00 0.00 C ATOM 375 C LYS A 24 -2.949 4.078 12.022 1.00 0.00 C ATOM 376 O LYS A 24 -2.871 2.994 12.602 1.00 0.00 O ATOM 377 CB LYS A 24 -5.354 4.641 11.627 1.00 0.00 C ATOM 378 CG LYS A 24 -6.013 3.436 12.278 1.00 0.00 C ATOM 379 CD LYS A 24 -6.922 3.848 13.425 1.00 0.00 C ATOM 380 CE LYS A 24 -6.640 3.035 14.678 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.896 2.601 15.351 1.00 0.00 N ATOM 0 H LYS A 24 -4.193 2.270 10.556 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.705 5.171 10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.198 5.412 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.032 5.057 10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.591 2.890 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.245 2.756 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.783 4.908 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.963 3.716 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.046 2.159 14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.044 3.629 15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.662 2.049 16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.451 3.437 15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.454 2.013 14.699 1.00 0.00 H new ATOM 394 N GLY A 25 -2.128 5.095 12.272 1.00 0.00 N ATOM 395 CA GLY A 25 -1.073 4.977 13.263 1.00 0.00 C ATOM 396 C GLY A 25 0.272 5.449 12.741 1.00 0.00 C ATOM 397 O GLY A 25 1.145 4.637 12.434 1.00 0.00 O ATOM 0 H GLY A 25 -2.175 6.000 11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.341 5.559 14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.991 3.937 13.580 1.00 0.00 H new ATOM 401 N THR A 26 0.439 6.765 12.639 1.00 0.00 N ATOM 402 CA THR A 26 1.687 7.345 12.151 1.00 0.00 C ATOM 403 C THR A 26 2.006 8.645 12.888 1.00 0.00 C ATOM 404 O THR A 26 1.596 8.828 14.035 1.00 0.00 O ATOM 405 CB THR A 26 1.596 7.595 10.645 1.00 0.00 C ATOM 406 OG1 THR A 26 0.312 7.252 10.157 1.00 0.00 O ATOM 407 CG2 THR A 26 2.614 6.811 9.846 1.00 0.00 C ATOM 0 H THR A 26 -0.275 7.450 12.888 1.00 0.00 H new ATOM 0 HA THR A 26 2.495 6.639 12.344 1.00 0.00 H new ATOM 0 HB THR A 26 1.797 8.659 10.516 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.100 7.806 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.495 7.034 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.619 7.089 10.165 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.463 5.744 10.011 1.00 0.00 H new ATOM 415 N LYS A 27 2.741 9.545 12.235 1.00 0.00 N ATOM 416 CA LYS A 27 3.106 10.816 12.854 1.00 0.00 C ATOM 417 C LYS A 27 3.500 11.866 11.815 1.00 0.00 C ATOM 418 O LYS A 27 3.482 13.064 12.102 1.00 0.00 O ATOM 419 CB LYS A 27 4.257 10.609 13.840 1.00 0.00 C ATOM 420 CG LYS A 27 3.842 10.738 15.297 1.00 0.00 C ATOM 421 CD LYS A 27 4.994 10.414 16.234 1.00 0.00 C ATOM 422 CE LYS A 27 4.609 9.344 17.243 1.00 0.00 C ATOM 423 NZ LYS A 27 4.742 7.973 16.676 1.00 0.00 N ATOM 0 H LYS A 27 3.092 9.418 11.286 1.00 0.00 H new ATOM 0 HA LYS A 27 2.228 11.185 13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.688 9.621 13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.041 11.336 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.490 11.752 15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.007 10.067 15.500 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.852 10.076 15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.301 11.318 16.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.241 9.434 18.127 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.581 9.504 17.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.470 7.272 17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.120 7.878 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.728 7.810 16.389 1.00 0.00 H new ATOM 436 N GLN A 28 3.859 11.420 10.614 1.00 0.00 N ATOM 437 CA GLN A 28 4.259 12.336 9.549 1.00 0.00 C ATOM 438 C GLN A 28 4.230 11.641 8.193 1.00 0.00 C ATOM 439 O GLN A 28 3.928 10.452 8.099 1.00 0.00 O ATOM 440 CB GLN A 28 5.660 12.888 9.817 1.00 0.00 C ATOM 441 CG GLN A 28 5.661 14.295 10.393 1.00 0.00 C ATOM 442 CD GLN A 28 7.014 14.698 10.947 1.00 0.00 C ATOM 443 OE1 GLN A 28 8.045 14.498 10.304 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.017 15.268 12.146 1.00 0.00 N ATOM 0 H GLN A 28 3.881 10.434 10.354 1.00 0.00 H new ATOM 0 HA GLN A 28 3.547 13.161 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.178 12.222 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.227 12.885 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.365 15.001 9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.915 14.360 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.139 15.414 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.898 15.560 12.570 1.00 0.00 H new ATOM 453 N TRP A 29 4.549 12.395 7.145 1.00 0.00 N ATOM 454 CA TRP A 29 4.563 11.852 5.793 1.00 0.00 C ATOM 455 C TRP A 29 5.663 10.813 5.633 1.00 0.00 C ATOM 456 O TRP A 29 5.429 9.716 5.128 1.00 0.00 O ATOM 457 CB TRP A 29 4.758 12.963 4.766 1.00 0.00 C ATOM 458 CG TRP A 29 4.740 12.449 3.362 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.647 12.290 2.562 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.866 12.005 2.598 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.023 11.771 1.348 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.382 11.592 1.345 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.238 11.920 2.852 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.217 11.098 0.348 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.069 11.430 1.862 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.556 11.024 0.623 1.00 0.00 C ATOM 0 H TRP A 29 4.801 13.382 7.207 1.00 0.00 H new ATOM 0 HA TRP A 29 3.599 11.373 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.972 13.709 4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.707 13.466 4.954 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.634 12.536 2.843 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.394 11.554 0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.641 12.231 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.823 10.784 -0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.131 11.359 2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.231 10.645 -0.130 1.00 0.00 H new ATOM 477 N VAL A 30 6.864 11.172 6.065 1.00 0.00 N ATOM 478 CA VAL A 30 8.011 10.278 5.973 1.00 0.00 C ATOM 479 C VAL A 30 7.708 8.947 6.645 1.00 0.00 C ATOM 480 O VAL A 30 8.203 7.900 6.232 1.00 0.00 O ATOM 481 CB VAL A 30 9.260 10.898 6.622 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.846 11.971 5.721 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.921 11.470 7.989 1.00 0.00 C ATOM 0 H VAL A 30 7.070 12.079 6.484 1.00 0.00 H new ATOM 0 HA VAL A 30 8.210 10.116 4.914 1.00 0.00 H new ATOM 0 HB VAL A 30 10.007 10.116 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.729 12.401 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.125 11.530 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.105 12.754 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.816 11.905 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.158 12.241 7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.545 10.675 8.633 1.00 0.00 H new ATOM 493 N HIS A 31 6.883 8.998 7.680 1.00 0.00 N ATOM 494 CA HIS A 31 6.499 7.797 8.404 1.00 0.00 C ATOM 495 C HIS A 31 5.555 6.946 7.562 1.00 0.00 C ATOM 496 O HIS A 31 5.522 5.723 7.696 1.00 0.00 O ATOM 497 CB HIS A 31 5.834 8.163 9.733 1.00 0.00 C ATOM 498 CG HIS A 31 6.705 7.917 10.925 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.915 6.662 11.457 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.423 8.774 11.690 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.724 6.758 12.499 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.047 8.027 12.660 1.00 0.00 N ATOM 0 H HIS A 31 6.467 9.858 8.037 1.00 0.00 H new ATOM 0 HA HIS A 31 7.399 7.219 8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.551 9.215 9.711 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.914 7.588 9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.492 9.844 11.562 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.063 5.937 13.114 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.661 8.394 13.387 1.00 0.00 H new ATOM 511 N ALA A 32 4.793 7.601 6.688 1.00 0.00 N ATOM 512 CA ALA A 32 3.858 6.896 5.824 1.00 0.00 C ATOM 513 C ALA A 32 4.601 6.100 4.759 1.00 0.00 C ATOM 514 O ALA A 32 4.339 4.915 4.568 1.00 0.00 O ATOM 515 CB ALA A 32 2.890 7.875 5.178 1.00 0.00 C ATOM 0 H ALA A 32 4.807 8.613 6.562 1.00 0.00 H new ATOM 0 HA ALA A 32 3.288 6.197 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.198 7.331 4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.330 8.398 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.447 8.598 4.582 1.00 0.00 H new ATOM 521 N ARG A 33 5.541 6.755 4.082 1.00 0.00 N ATOM 522 CA ARG A 33 6.331 6.100 3.050 1.00 0.00 C ATOM 523 C ARG A 33 7.129 4.946 3.642 1.00 0.00 C ATOM 524 O ARG A 33 7.284 3.899 3.013 1.00 0.00 O ATOM 525 CB ARG A 33 7.269 7.098 2.364 1.00 0.00 C ATOM 526 CG ARG A 33 8.193 7.828 3.323 1.00 0.00 C ATOM 527 CD ARG A 33 9.597 7.958 2.756 1.00 0.00 C ATOM 528 NE ARG A 33 10.555 8.408 3.762 1.00 0.00 N ATOM 529 CZ ARG A 33 11.836 8.056 3.771 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.314 7.251 2.830 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.643 8.508 4.721 1.00 0.00 N ATOM 0 H ARG A 33 5.772 7.737 4.231 1.00 0.00 H new ATOM 0 HA ARG A 33 5.646 5.703 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.871 6.568 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.671 7.830 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.791 8.819 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.231 7.292 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.917 6.996 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.588 8.662 1.924 1.00 0.00 H new ATOM 0 HE ARG A 33 10.222 9.028 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.697 6.901 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.298 6.983 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.281 9.127 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.626 8.237 4.727 1.00 0.00 H new ATOM 545 N TYR A 34 7.621 5.139 4.861 1.00 0.00 N ATOM 546 CA TYR A 34 8.386 4.104 5.541 1.00 0.00 C ATOM 547 C TYR A 34 7.498 2.897 5.805 1.00 0.00 C ATOM 548 O TYR A 34 7.942 1.753 5.717 1.00 0.00 O ATOM 549 CB TYR A 34 8.961 4.636 6.856 1.00 0.00 C ATOM 550 CG TYR A 34 10.471 4.589 6.919 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.141 3.388 7.119 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.227 5.746 6.779 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.521 3.343 7.177 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.607 5.708 6.835 1.00 0.00 C ATOM 555 CZ TYR A 34 13.249 4.505 7.034 1.00 0.00 C ATOM 556 OH TYR A 34 14.623 4.463 7.091 1.00 0.00 O ATOM 0 H TYR A 34 7.504 6.000 5.396 1.00 0.00 H new ATOM 0 HA TYR A 34 9.216 3.804 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.632 5.665 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.553 4.055 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.574 2.475 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.728 6.691 6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.027 2.402 7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.180 6.617 6.723 1.00 0.00 H new ATOM 0 HH TYR A 34 14.983 5.366 6.971 1.00 0.00 H new ATOM 566 N ALA A 35 6.232 3.166 6.107 1.00 0.00 N ATOM 567 CA ALA A 35 5.268 2.105 6.359 1.00 0.00 C ATOM 568 C ALA A 35 5.079 1.274 5.099 1.00 0.00 C ATOM 569 O ALA A 35 5.026 0.044 5.150 1.00 0.00 O ATOM 570 CB ALA A 35 3.941 2.688 6.821 1.00 0.00 C ATOM 0 H ALA A 35 5.852 4.109 6.183 1.00 0.00 H new ATOM 0 HA ALA A 35 5.648 1.462 7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.233 1.880 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.092 3.254 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.546 3.349 6.050 1.00 0.00 H new ATOM 576 N CYS A 36 4.999 1.963 3.964 1.00 0.00 N ATOM 577 CA CYS A 36 4.843 1.303 2.681 1.00 0.00 C ATOM 578 C CYS A 36 5.964 0.302 2.476 1.00 0.00 C ATOM 579 O CYS A 36 5.729 -0.863 2.159 1.00 0.00 O ATOM 580 CB CYS A 36 4.867 2.326 1.546 1.00 0.00 C ATOM 581 SG CYS A 36 4.074 3.918 1.941 1.00 0.00 S ATOM 0 H CYS A 36 5.040 2.981 3.912 1.00 0.00 H new ATOM 0 HA CYS A 36 3.883 0.786 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.903 2.512 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.372 1.895 0.676 1.00 0.00 H new ATOM 586 N ASP A 37 7.187 0.777 2.666 1.00 0.00 N ATOM 587 CA ASP A 37 8.369 -0.058 2.510 1.00 0.00 C ATOM 588 C ASP A 37 8.288 -1.286 3.411 1.00 0.00 C ATOM 589 O ASP A 37 8.826 -2.346 3.084 1.00 0.00 O ATOM 590 CB ASP A 37 9.632 0.742 2.831 1.00 0.00 C ATOM 591 CG ASP A 37 10.898 -0.058 2.600 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.100 -0.534 1.463 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.689 -0.208 3.555 1.00 0.00 O ATOM 0 H ASP A 37 7.387 1.742 2.930 1.00 0.00 H new ATOM 0 HA ASP A 37 8.414 -0.391 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.656 1.641 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.597 1.069 3.870 1.00 0.00 H new ATOM 598 N ASP A 38 7.607 -1.139 4.544 1.00 0.00 N ATOM 599 CA ASP A 38 7.449 -2.238 5.490 1.00 0.00 C ATOM 600 C ASP A 38 6.533 -3.314 4.918 1.00 0.00 C ATOM 601 O ASP A 38 6.671 -4.496 5.235 1.00 0.00 O ATOM 602 CB ASP A 38 6.887 -1.723 6.816 1.00 0.00 C ATOM 603 CG ASP A 38 7.882 -1.851 7.954 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.871 -1.088 7.965 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.672 -2.713 8.833 1.00 0.00 O ATOM 0 H ASP A 38 7.156 -0.270 4.829 1.00 0.00 H new ATOM 0 HA ASP A 38 8.431 -2.677 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.599 -0.678 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.982 -2.278 7.064 1.00 0.00 H new ATOM 610 N MET A 39 5.600 -2.896 4.067 1.00 0.00 N ATOM 611 CA MET A 39 4.664 -3.821 3.441 1.00 0.00 C ATOM 612 C MET A 39 5.080 -4.107 2.003 1.00 0.00 C ATOM 613 O MET A 39 4.428 -4.876 1.296 1.00 0.00 O ATOM 614 CB MET A 39 3.245 -3.251 3.474 1.00 0.00 C ATOM 615 CG MET A 39 2.803 -2.797 4.856 1.00 0.00 C ATOM 616 SD MET A 39 2.649 -4.167 6.019 1.00 0.00 S ATOM 617 CE MET A 39 3.785 -3.651 7.303 1.00 0.00 C ATOM 0 H MET A 39 5.473 -1.921 3.796 1.00 0.00 H new ATOM 0 HA MET A 39 4.678 -4.755 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.186 -2.407 2.787 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.550 -4.008 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.521 -2.075 5.244 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.845 -2.283 4.777 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.428 -4.008 8.269 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.772 -4.068 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.847 -2.563 7.318 1.00 0.00 H new ATOM 627 N GLU A 40 6.177 -3.480 1.588 1.00 0.00 N ATOM 628 CA GLU A 40 6.715 -3.650 0.242 1.00 0.00 C ATOM 629 C GLU A 40 5.789 -3.053 -0.815 1.00 0.00 C ATOM 630 O GLU A 40 5.675 -3.581 -1.922 1.00 0.00 O ATOM 631 CB GLU A 40 6.958 -5.131 -0.055 1.00 0.00 C ATOM 632 CG GLU A 40 8.135 -5.719 0.706 1.00 0.00 C ATOM 633 CD GLU A 40 9.018 -6.588 -0.168 1.00 0.00 C ATOM 634 OE1 GLU A 40 8.641 -7.752 -0.421 1.00 0.00 O ATOM 635 OE2 GLU A 40 10.085 -6.105 -0.600 1.00 0.00 O ATOM 0 H GLU A 40 6.716 -2.842 2.173 1.00 0.00 H new ATOM 0 HA GLU A 40 7.664 -3.115 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.058 -5.695 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.129 -5.255 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.731 -4.910 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.763 -6.311 1.543 1.00 0.00 H new ATOM 642 N GLY A 41 5.140 -1.947 -0.473 1.00 0.00 N ATOM 643 CA GLY A 41 4.245 -1.294 -1.408 1.00 0.00 C ATOM 644 C GLY A 41 4.775 0.044 -1.876 1.00 0.00 C ATOM 645 O GLY A 41 5.917 0.143 -2.326 1.00 0.00 O ATOM 0 H GLY A 41 5.218 -1.491 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.090 -1.942 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.272 -1.152 -0.937 1.00 0.00 H new ATOM 649 N GLN A 42 3.942 1.071 -1.782 1.00 0.00 N ATOM 650 CA GLN A 42 4.323 2.408 -2.210 1.00 0.00 C ATOM 651 C GLN A 42 3.416 3.415 -1.547 1.00 0.00 C ATOM 652 O GLN A 42 2.315 3.066 -1.131 1.00 0.00 O ATOM 653 CB GLN A 42 4.198 2.542 -3.728 1.00 0.00 C ATOM 654 CG GLN A 42 4.427 3.956 -4.240 1.00 0.00 C ATOM 655 CD GLN A 42 4.110 4.102 -5.714 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.725 3.455 -6.561 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.143 4.957 -6.028 1.00 0.00 N ATOM 0 H GLN A 42 2.994 1.002 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 42 5.360 2.588 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.916 1.873 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.205 2.212 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.809 4.649 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.466 4.237 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.659 5.473 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.884 5.098 -7.004 1.00 0.00 H new ATOM 666 N LEU A 43 3.835 4.665 -1.458 1.00 0.00 N ATOM 667 CA LEU A 43 2.962 5.633 -0.855 1.00 0.00 C ATOM 668 C LEU A 43 1.902 5.965 -1.887 1.00 0.00 C ATOM 669 O LEU A 43 2.186 6.538 -2.939 1.00 0.00 O ATOM 670 CB LEU A 43 3.750 6.885 -0.442 1.00 0.00 C ATOM 671 CG LEU A 43 3.198 7.689 0.745 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.524 6.794 1.765 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.315 8.480 1.404 1.00 0.00 C ATOM 0 H LEU A 43 4.736 5.015 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 43 2.502 5.240 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.769 6.582 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.809 7.549 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 43 2.446 8.376 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.147 7.400 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.695 6.266 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.245 6.071 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.913 9.046 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.083 7.795 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.751 9.167 0.679 1.00 0.00 H new ATOM 685 N VAL A 44 0.687 5.550 -1.560 1.00 0.00 N ATOM 686 CA VAL A 44 -0.492 5.715 -2.403 1.00 0.00 C ATOM 687 C VAL A 44 -0.240 6.499 -3.679 1.00 0.00 C ATOM 688 O VAL A 44 -0.166 5.926 -4.766 1.00 0.00 O ATOM 689 CB VAL A 44 -1.625 6.383 -1.622 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.807 5.445 -1.528 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.146 6.793 -0.241 1.00 0.00 C ATOM 0 H VAL A 44 0.487 5.077 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.773 4.705 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.939 7.284 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.610 5.927 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.157 5.200 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.507 4.531 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.964 7.267 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.811 5.911 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.319 7.496 -0.337 1.00 0.00 H new ATOM 701 N SER A 45 -0.146 7.811 -3.542 1.00 0.00 N ATOM 702 CA SER A 45 0.061 8.688 -4.688 1.00 0.00 C ATOM 703 C SER A 45 -1.162 8.635 -5.598 1.00 0.00 C ATOM 704 O SER A 45 -1.055 8.344 -6.790 1.00 0.00 O ATOM 705 CB SER A 45 1.314 8.278 -5.465 1.00 0.00 C ATOM 706 OG SER A 45 2.240 9.346 -5.541 1.00 0.00 O ATOM 0 H SER A 45 -0.210 8.296 -2.647 1.00 0.00 H new ATOM 0 HA SER A 45 0.202 9.708 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.782 7.421 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.035 7.963 -6.470 1.00 0.00 H new ATOM 0 HG SER A 45 2.355 9.613 -6.477 1.00 0.00 H new ATOM 712 N ILE A 46 -2.325 8.900 -5.011 1.00 0.00 N ATOM 713 CA ILE A 46 -3.588 8.870 -5.744 1.00 0.00 C ATOM 714 C ILE A 46 -3.520 9.718 -7.008 1.00 0.00 C ATOM 715 O ILE A 46 -2.944 10.807 -7.010 1.00 0.00 O ATOM 716 CB ILE A 46 -4.779 9.354 -4.882 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.303 9.910 -3.532 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.779 8.223 -4.679 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.987 8.845 -2.501 1.00 0.00 C ATOM 0 H ILE A 46 -2.420 9.139 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.752 7.826 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.274 10.165 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.413 10.518 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.072 10.571 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.611 8.578 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.153 7.890 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.289 7.391 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.658 9.320 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.880 8.251 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.195 8.197 -2.878 1.00 0.00 H new ATOM 731 N HIS A 47 -4.111 9.207 -8.083 1.00 0.00 N ATOM 732 CA HIS A 47 -4.122 9.910 -9.361 1.00 0.00 C ATOM 733 C HIS A 47 -5.529 9.950 -9.946 1.00 0.00 C ATOM 734 O HIS A 47 -5.758 10.554 -10.995 1.00 0.00 O ATOM 735 CB HIS A 47 -3.170 9.234 -10.347 1.00 0.00 C ATOM 736 CG HIS A 47 -3.267 7.740 -10.346 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.468 7.063 -10.292 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.303 6.789 -10.394 1.00 0.00 C ATOM 739 CE1 HIS A 47 -4.239 5.762 -10.306 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.934 5.570 -10.368 1.00 0.00 N ATOM 0 H HIS A 47 -4.590 8.306 -8.094 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.789 10.933 -9.187 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.379 9.603 -11.351 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.147 9.523 -10.108 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.237 6.958 -10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.991 4.987 -10.272 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.470 4.662 -10.393 1.00 0.00 H new ATOM 749 N SER A 48 -6.470 9.306 -9.262 1.00 0.00 N ATOM 750 CA SER A 48 -7.852 9.273 -9.715 1.00 0.00 C ATOM 751 C SER A 48 -8.764 9.929 -8.690 1.00 0.00 C ATOM 752 O SER A 48 -8.794 9.520 -7.530 1.00 0.00 O ATOM 753 CB SER A 48 -8.296 7.830 -9.963 1.00 0.00 C ATOM 754 OG SER A 48 -9.393 7.782 -10.860 1.00 0.00 O ATOM 0 H SER A 48 -6.298 8.801 -8.393 1.00 0.00 H new ATOM 0 HA SER A 48 -7.920 9.829 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.464 7.255 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.574 7.364 -9.018 1.00 0.00 H new ATOM 0 HG SER A 48 -9.657 6.849 -11.004 1.00 0.00 H new ATOM 760 N PRO A 49 -9.527 10.957 -9.102 1.00 0.00 N ATOM 761 CA PRO A 49 -10.445 11.655 -8.204 1.00 0.00 C ATOM 762 C PRO A 49 -11.277 10.675 -7.390 1.00 0.00 C ATOM 763 O PRO A 49 -11.679 10.965 -6.264 1.00 0.00 O ATOM 764 CB PRO A 49 -11.328 12.458 -9.159 1.00 0.00 C ATOM 765 CG PRO A 49 -10.457 12.715 -10.342 1.00 0.00 C ATOM 766 CD PRO A 49 -9.562 11.510 -10.470 1.00 0.00 C ATOM 0 HA PRO A 49 -9.929 12.275 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.222 11.900 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.663 13.389 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.054 12.855 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.871 13.623 -10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.960 10.789 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.566 11.785 -10.817 1.00 0.00 H new ATOM 774 N GLU A 50 -11.517 9.503 -7.971 1.00 0.00 N ATOM 775 CA GLU A 50 -12.283 8.464 -7.303 1.00 0.00 C ATOM 776 C GLU A 50 -11.469 7.821 -6.196 1.00 0.00 C ATOM 777 O GLU A 50 -11.961 7.616 -5.090 1.00 0.00 O ATOM 778 CB GLU A 50 -12.724 7.392 -8.297 1.00 0.00 C ATOM 779 CG GLU A 50 -13.388 6.197 -7.637 1.00 0.00 C ATOM 780 CD GLU A 50 -13.322 4.947 -8.492 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.214 4.600 -8.952 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.379 4.315 -8.704 1.00 0.00 O ATOM 0 H GLU A 50 -11.190 9.252 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.166 8.933 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.417 7.834 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.856 7.051 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.907 6.003 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.431 6.435 -7.428 1.00 0.00 H new ATOM 789 N GLU A 51 -10.221 7.489 -6.509 1.00 0.00 N ATOM 790 CA GLU A 51 -9.343 6.857 -5.545 1.00 0.00 C ATOM 791 C GLU A 51 -9.087 7.782 -4.363 1.00 0.00 C ATOM 792 O GLU A 51 -9.186 7.368 -3.210 1.00 0.00 O ATOM 793 CB GLU A 51 -8.024 6.456 -6.208 1.00 0.00 C ATOM 794 CG GLU A 51 -8.166 5.313 -7.201 1.00 0.00 C ATOM 795 CD GLU A 51 -8.123 3.954 -6.533 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.010 3.429 -6.321 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.205 3.412 -6.221 1.00 0.00 O ATOM 0 H GLU A 51 -9.800 7.649 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.832 5.956 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.606 7.322 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.311 6.169 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.107 5.419 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.367 5.376 -7.940 1.00 0.00 H new ATOM 804 N GLN A 52 -8.774 9.042 -4.655 1.00 0.00 N ATOM 805 CA GLN A 52 -8.525 10.022 -3.608 1.00 0.00 C ATOM 806 C GLN A 52 -9.750 10.133 -2.714 1.00 0.00 C ATOM 807 O GLN A 52 -9.636 10.197 -1.493 1.00 0.00 O ATOM 808 CB GLN A 52 -8.160 11.386 -4.214 1.00 0.00 C ATOM 809 CG GLN A 52 -9.359 12.198 -4.693 1.00 0.00 C ATOM 810 CD GLN A 52 -9.904 13.166 -3.649 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.756 14.000 -3.956 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.422 13.068 -2.412 1.00 0.00 N ATOM 0 H GLN A 52 -8.688 9.405 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.678 9.693 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.615 11.967 -3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.483 11.229 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.073 12.760 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.154 11.514 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.716 12.365 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.758 13.696 -1.682 1.00 0.00 H new ATOM 821 N ASP A 53 -10.920 10.120 -3.341 1.00 0.00 N ATOM 822 CA ASP A 53 -12.183 10.184 -2.628 1.00 0.00 C ATOM 823 C ASP A 53 -12.410 8.879 -1.881 1.00 0.00 C ATOM 824 O ASP A 53 -12.994 8.856 -0.799 1.00 0.00 O ATOM 825 CB ASP A 53 -13.334 10.440 -3.601 1.00 0.00 C ATOM 826 CG ASP A 53 -14.614 10.837 -2.892 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.561 11.742 -2.033 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.670 10.243 -3.196 1.00 0.00 O ATOM 0 H ASP A 53 -11.017 10.065 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.147 11.007 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.048 11.228 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.513 9.542 -4.192 1.00 0.00 H new ATOM 833 N PHE A 54 -11.952 7.791 -2.491 1.00 0.00 N ATOM 834 CA PHE A 54 -12.099 6.462 -1.929 1.00 0.00 C ATOM 835 C PHE A 54 -11.425 6.369 -0.569 1.00 0.00 C ATOM 836 O PHE A 54 -12.043 5.963 0.416 1.00 0.00 O ATOM 837 CB PHE A 54 -11.456 5.461 -2.886 1.00 0.00 C ATOM 838 CG PHE A 54 -12.408 4.471 -3.476 1.00 0.00 C ATOM 839 CD1 PHE A 54 -13.339 4.870 -4.417 1.00 0.00 C ATOM 840 CD2 PHE A 54 -12.363 3.141 -3.100 1.00 0.00 C ATOM 841 CE1 PHE A 54 -14.214 3.962 -4.975 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.235 2.223 -3.652 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.163 2.633 -4.591 1.00 0.00 C ATOM 0 H PHE A 54 -11.469 7.810 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.159 6.243 -1.797 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.973 6.009 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.672 4.921 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.381 5.906 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.639 2.817 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.937 4.287 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.192 1.187 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.847 1.918 -5.024 1.00 0.00 H new ATOM 853 N LEU A 55 -10.165 6.771 -0.515 1.00 0.00 N ATOM 854 CA LEU A 55 -9.417 6.759 0.732 1.00 0.00 C ATOM 855 C LEU A 55 -9.874 7.900 1.623 1.00 0.00 C ATOM 856 O LEU A 55 -9.862 7.790 2.846 1.00 0.00 O ATOM 857 CB LEU A 55 -7.922 6.867 0.477 1.00 0.00 C ATOM 858 CG LEU A 55 -7.537 7.717 -0.722 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.789 8.945 -0.258 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.701 6.912 -1.698 1.00 0.00 C ATOM 0 H LEU A 55 -9.639 7.110 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.609 5.810 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.446 7.281 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.519 5.864 0.337 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.443 8.034 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.515 9.552 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.425 9.528 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.887 8.642 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.435 7.537 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.793 6.568 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.274 6.051 -2.044 1.00 0.00 H new ATOM 872 N THR A 56 -10.270 8.999 0.990 1.00 0.00 N ATOM 873 CA THR A 56 -10.733 10.172 1.712 1.00 0.00 C ATOM 874 C THR A 56 -11.951 9.813 2.554 1.00 0.00 C ATOM 875 O THR A 56 -12.060 10.212 3.713 1.00 0.00 O ATOM 876 CB THR A 56 -11.069 11.306 0.732 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.170 12.389 0.888 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.471 11.849 0.887 1.00 0.00 C ATOM 0 H THR A 56 -10.278 9.099 -0.025 1.00 0.00 H new ATOM 0 HA THR A 56 -9.939 10.518 2.373 1.00 0.00 H new ATOM 0 HB THR A 56 -10.983 10.857 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.400 13.099 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.635 12.646 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.192 11.049 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.599 12.244 1.895 1.00 0.00 H new ATOM 886 N LYS A 57 -12.850 9.035 1.963 1.00 0.00 N ATOM 887 CA LYS A 57 -14.047 8.593 2.654 1.00 0.00 C ATOM 888 C LYS A 57 -13.677 7.523 3.669 1.00 0.00 C ATOM 889 O LYS A 57 -14.254 7.448 4.754 1.00 0.00 O ATOM 890 CB LYS A 57 -15.072 8.045 1.658 1.00 0.00 C ATOM 891 CG LYS A 57 -16.484 8.553 1.899 1.00 0.00 C ATOM 892 CD LYS A 57 -16.963 9.430 0.754 1.00 0.00 C ATOM 893 CE LYS A 57 -16.639 10.895 1.002 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.603 11.801 0.318 1.00 0.00 N ATOM 0 H LYS A 57 -12.769 8.698 1.004 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.494 9.443 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.765 8.315 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.072 6.956 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.161 7.707 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.514 9.119 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.495 9.105 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.039 9.310 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.652 11.093 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.629 11.108 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.347 12.790 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.572 11.630 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.564 11.616 0.671 1.00 0.00 H new ATOM 907 N HIS A 58 -12.695 6.704 3.304 1.00 0.00 N ATOM 908 CA HIS A 58 -12.221 5.643 4.177 1.00 0.00 C ATOM 909 C HIS A 58 -11.472 6.227 5.370 1.00 0.00 C ATOM 910 O HIS A 58 -11.420 5.619 6.439 1.00 0.00 O ATOM 911 CB HIS A 58 -11.311 4.686 3.406 1.00 0.00 C ATOM 912 CG HIS A 58 -11.564 3.243 3.716 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.468 2.469 3.017 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.022 2.430 4.654 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.473 1.245 3.514 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.605 1.195 4.507 1.00 0.00 N ATOM 0 H HIS A 58 -12.213 6.758 2.407 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.085 5.089 4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.447 4.849 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.272 4.922 3.634 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.042 2.792 2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.272 2.702 5.382 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.084 0.425 3.167 1.00 0.00 H new ATOM 925 N ALA A 59 -10.892 7.413 5.179 1.00 0.00 N ATOM 926 CA ALA A 59 -10.148 8.079 6.242 1.00 0.00 C ATOM 927 C ALA A 59 -10.999 8.225 7.499 1.00 0.00 C ATOM 928 O ALA A 59 -12.175 8.581 7.425 1.00 0.00 O ATOM 929 CB ALA A 59 -9.659 9.440 5.772 1.00 0.00 C ATOM 0 H ALA A 59 -10.925 7.929 4.300 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.285 7.461 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.105 9.925 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.007 9.314 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.513 10.058 5.495 1.00 0.00 H new ATOM 935 N SER A 60 -10.398 7.945 8.652 1.00 0.00 N ATOM 936 CA SER A 60 -11.101 8.043 9.927 1.00 0.00 C ATOM 937 C SER A 60 -11.620 9.458 10.158 1.00 0.00 C ATOM 938 O SER A 60 -12.800 9.739 9.945 1.00 0.00 O ATOM 939 CB SER A 60 -10.178 7.630 11.074 1.00 0.00 C ATOM 940 OG SER A 60 -8.816 7.786 10.716 1.00 0.00 O ATOM 0 H SER A 60 -9.425 7.648 8.729 1.00 0.00 H new ATOM 0 HA SER A 60 -11.955 7.366 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.397 8.233 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.370 6.591 11.343 1.00 0.00 H new ATOM 0 HG SER A 60 -8.247 7.517 11.467 1.00 0.00 H new ATOM 946 N HIS A 61 -10.733 10.347 10.593 1.00 0.00 N ATOM 947 CA HIS A 61 -11.101 11.733 10.853 1.00 0.00 C ATOM 948 C HIS A 61 -9.939 12.672 10.552 1.00 0.00 C ATOM 949 O HIS A 61 -10.121 13.729 9.947 1.00 0.00 O ATOM 950 CB HIS A 61 -11.545 11.901 12.307 1.00 0.00 C ATOM 951 CG HIS A 61 -12.941 12.422 12.451 1.00 0.00 C ATOM 952 ND1 HIS A 61 -14.029 11.837 11.837 1.00 0.00 N ATOM 953 CD2 HIS A 61 -13.426 13.480 13.144 1.00 0.00 C ATOM 954 CE1 HIS A 61 -15.122 12.513 12.146 1.00 0.00 C ATOM 955 NE2 HIS A 61 -14.783 13.514 12.938 1.00 0.00 N ATOM 0 H HIS A 61 -9.752 10.131 10.773 1.00 0.00 H new ATOM 0 HA HIS A 61 -11.931 11.991 10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.471 10.939 12.814 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -10.859 12.581 12.812 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -13.995 11.012 11.238 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.852 14.169 13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -16.122 12.285 11.808 1.00 0.00 H new ATOM 964 N THR A 62 -8.743 12.279 10.977 1.00 0.00 N ATOM 965 CA THR A 62 -7.548 13.084 10.752 1.00 0.00 C ATOM 966 C THR A 62 -7.255 13.216 9.262 1.00 0.00 C ATOM 967 O THR A 62 -6.998 14.312 8.764 1.00 0.00 O ATOM 968 CB THR A 62 -6.346 12.465 11.468 1.00 0.00 C ATOM 969 OG1 THR A 62 -6.584 11.098 11.757 1.00 0.00 O ATOM 970 CG2 THR A 62 -6.003 13.157 12.768 1.00 0.00 C ATOM 0 H THR A 62 -8.575 11.407 11.479 1.00 0.00 H new ATOM 0 HA THR A 62 -7.729 14.079 11.158 1.00 0.00 H new ATOM 0 HB THR A 62 -5.508 12.583 10.781 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.097 10.846 12.569 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.142 12.668 13.224 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.765 14.203 12.572 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.854 13.099 13.446 1.00 0.00 H new ATOM 978 N GLY A 63 -7.297 12.090 8.555 1.00 0.00 N ATOM 979 CA GLY A 63 -7.035 12.102 7.127 1.00 0.00 C ATOM 980 C GLY A 63 -6.140 10.959 6.692 1.00 0.00 C ATOM 981 O GLY A 63 -5.962 9.987 7.426 1.00 0.00 O ATOM 0 H GLY A 63 -7.507 11.171 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.980 12.045 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.569 13.049 6.854 1.00 0.00 H new ATOM 985 N SER A 64 -5.577 11.074 5.492 1.00 0.00 N ATOM 986 CA SER A 64 -4.696 10.041 4.959 1.00 0.00 C ATOM 987 C SER A 64 -3.440 10.656 4.342 1.00 0.00 C ATOM 988 O SER A 64 -3.431 11.831 3.974 1.00 0.00 O ATOM 989 CB SER A 64 -5.436 9.204 3.912 1.00 0.00 C ATOM 990 OG SER A 64 -5.051 9.571 2.599 1.00 0.00 O ATOM 0 H SER A 64 -5.716 11.872 4.872 1.00 0.00 H new ATOM 0 HA SER A 64 -4.392 9.397 5.784 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.226 8.147 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.511 9.337 4.029 1.00 0.00 H new ATOM 0 HG SER A 64 -5.849 9.790 2.073 1.00 0.00 H new ATOM 996 N TRP A 65 -2.389 9.850 4.223 1.00 0.00 N ATOM 997 CA TRP A 65 -1.132 10.309 3.638 1.00 0.00 C ATOM 998 C TRP A 65 -0.989 9.751 2.230 1.00 0.00 C ATOM 999 O TRP A 65 -1.198 8.562 2.005 1.00 0.00 O ATOM 1000 CB TRP A 65 0.055 9.865 4.499 1.00 0.00 C ATOM 1001 CG TRP A 65 0.501 10.891 5.500 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.098 12.093 5.238 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.396 10.801 6.926 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.370 12.750 6.416 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.946 11.980 7.463 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.112 9.840 7.800 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 1.003 12.219 8.833 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.056 10.079 9.161 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.499 11.260 9.666 1.00 0.00 C ATOM 0 H TRP A 65 -2.382 8.875 4.524 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.141 11.398 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.214 8.950 5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.893 9.621 3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.323 12.471 4.252 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.816 13.664 6.495 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.542 8.925 7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.431 13.130 9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.447 9.341 9.846 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.530 11.417 10.734 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.644 10.614 1.286 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.490 10.200 -0.102 1.00 0.00 C ATOM 1022 C ILE A 66 0.965 10.233 -0.537 1.00 0.00 C ATOM 1023 O ILE A 66 1.818 10.785 0.153 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.316 11.084 -1.049 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.574 12.390 -1.328 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.689 11.350 -0.450 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.426 13.456 -1.973 1.00 0.00 C ATOM 0 H ILE A 66 -0.465 11.604 1.455 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.856 9.175 -0.160 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.454 10.564 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.175 12.777 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.278 12.180 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.267 11.977 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.209 10.404 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.576 11.859 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.826 14.351 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.804 13.091 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.264 13.697 -1.319 1.00 0.00 H new ATOM 1039 N GLY A 67 1.232 9.633 -1.688 1.00 0.00 N ATOM 1040 CA GLY A 67 2.581 9.595 -2.218 1.00 0.00 C ATOM 1041 C GLY A 67 3.016 10.919 -2.817 1.00 0.00 C ATOM 1042 O GLY A 67 3.440 10.973 -3.969 1.00 0.00 O ATOM 0 H GLY A 67 0.534 9.169 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.271 9.318 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.645 8.818 -2.980 1.00 0.00 H new ATOM 1046 N LEU A 68 2.913 11.991 -2.036 1.00 0.00 N ATOM 1047 CA LEU A 68 3.302 13.311 -2.511 1.00 0.00 C ATOM 1048 C LEU A 68 4.336 13.963 -1.597 1.00 0.00 C ATOM 1049 O LEU A 68 4.128 14.097 -0.391 1.00 0.00 O ATOM 1050 CB LEU A 68 2.073 14.220 -2.621 1.00 0.00 C ATOM 1051 CG LEU A 68 2.272 15.497 -3.445 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.127 16.505 -2.691 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.895 15.171 -4.789 1.00 0.00 C ATOM 0 H LEU A 68 2.565 11.970 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 68 3.753 13.180 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.257 13.647 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.759 14.502 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 68 1.293 15.945 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.253 17.402 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.638 16.767 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.104 16.069 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.029 16.090 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.863 14.695 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.241 14.494 -5.339 1.00 0.00 H new ATOM 1065 N ARG A 69 5.432 14.396 -2.204 1.00 0.00 N ATOM 1066 CA ARG A 69 6.504 15.079 -1.496 1.00 0.00 C ATOM 1067 C ARG A 69 7.006 16.247 -2.344 1.00 0.00 C ATOM 1068 O ARG A 69 7.451 16.050 -3.473 1.00 0.00 O ATOM 1069 CB ARG A 69 7.647 14.104 -1.191 1.00 0.00 C ATOM 1070 CG ARG A 69 8.982 14.783 -0.925 1.00 0.00 C ATOM 1071 CD ARG A 69 8.935 15.631 0.335 1.00 0.00 C ATOM 1072 NE ARG A 69 10.258 15.805 0.928 1.00 0.00 N ATOM 1073 CZ ARG A 69 10.723 15.057 1.925 1.00 0.00 C ATOM 1074 NH1 ARG A 69 9.975 14.088 2.437 1.00 0.00 N ATOM 1075 NH2 ARG A 69 11.937 15.278 2.409 1.00 0.00 N ATOM 0 H ARG A 69 5.603 14.283 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 69 6.125 15.462 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.377 13.503 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.760 13.418 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.762 14.028 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.249 15.409 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.512 16.608 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.271 15.164 1.062 1.00 0.00 H new ATOM 0 HE ARG A 69 10.859 16.541 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.041 13.915 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.334 13.516 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.515 16.022 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.293 14.704 3.173 1.00 0.00 H new ATOM 1089 N ASN A 70 6.931 17.458 -1.807 1.00 0.00 N ATOM 1090 CA ASN A 70 7.378 18.635 -2.545 1.00 0.00 C ATOM 1091 C ASN A 70 8.826 18.976 -2.212 1.00 0.00 C ATOM 1092 O ASN A 70 9.299 18.717 -1.105 1.00 0.00 O ATOM 1093 CB ASN A 70 6.462 19.828 -2.248 1.00 0.00 C ATOM 1094 CG ASN A 70 7.185 21.158 -2.337 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.450 21.802 -1.323 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.506 21.575 -3.556 1.00 0.00 N ATOM 0 H ASN A 70 6.569 17.652 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 70 7.325 18.408 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.629 19.825 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.038 19.716 -1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.993 22.463 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.266 21.007 -4.369 1.00 0.00 H new ATOM 1103 N LEU A 71 9.531 19.554 -3.182 1.00 0.00 N ATOM 1104 CA LEU A 71 10.928 19.926 -2.995 1.00 0.00 C ATOM 1105 C LEU A 71 11.051 21.143 -2.082 1.00 0.00 C ATOM 1106 O LEU A 71 11.259 21.007 -0.877 1.00 0.00 O ATOM 1107 CB LEU A 71 11.586 20.216 -4.346 1.00 0.00 C ATOM 1108 CG LEU A 71 12.125 18.987 -5.079 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.785 19.057 -6.560 1.00 0.00 C ATOM 1110 CD2 LEU A 71 13.629 18.866 -4.882 1.00 0.00 C ATOM 0 H LEU A 71 9.156 19.774 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 71 11.441 19.088 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.859 20.714 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.406 20.917 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 71 11.650 18.100 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.177 18.174 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.703 19.096 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.232 19.951 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.996 17.986 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.120 19.756 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.850 18.769 -3.819 1.00 0.00 H new ATOM 1122 N ASP A 72 10.918 22.331 -2.663 1.00 0.00 N ATOM 1123 CA ASP A 72 11.013 23.571 -1.900 1.00 0.00 C ATOM 1124 C ASP A 72 9.635 24.198 -1.716 1.00 0.00 C ATOM 1125 O ASP A 72 8.675 23.816 -2.384 1.00 0.00 O ATOM 1126 CB ASP A 72 11.946 24.558 -2.605 1.00 0.00 C ATOM 1127 CG ASP A 72 13.403 24.156 -2.492 1.00 0.00 C ATOM 1128 OD1 ASP A 72 13.933 24.154 -1.360 1.00 0.00 O ATOM 1129 OD2 ASP A 72 14.015 23.843 -3.534 1.00 0.00 O ATOM 0 H ASP A 72 10.744 22.461 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 72 11.422 23.336 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.671 24.625 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.811 25.551 -2.176 1.00 0.00 H new ATOM 1134 N LEU A 73 9.545 25.163 -0.805 1.00 0.00 N ATOM 1135 CA LEU A 73 8.283 25.843 -0.531 1.00 0.00 C ATOM 1136 C LEU A 73 7.656 26.369 -1.819 1.00 0.00 C ATOM 1137 O LEU A 73 6.444 26.277 -2.014 1.00 0.00 O ATOM 1138 CB LEU A 73 8.505 26.997 0.448 1.00 0.00 C ATOM 1139 CG LEU A 73 8.302 26.642 1.922 1.00 0.00 C ATOM 1140 CD1 LEU A 73 9.396 27.264 2.776 1.00 0.00 C ATOM 1141 CD2 LEU A 73 6.930 27.099 2.395 1.00 0.00 C ATOM 0 H LEU A 73 10.331 25.492 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 73 7.600 25.121 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.519 27.375 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.826 27.809 0.189 1.00 0.00 H new ATOM 0 HG LEU A 73 8.359 25.559 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.235 27.001 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.367 26.889 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.371 28.348 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.802 26.839 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.845 28.179 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.158 26.607 1.803 1.00 0.00 H new ATOM 1153 N LYS A 74 8.491 26.920 -2.697 1.00 0.00 N ATOM 1154 CA LYS A 74 8.020 27.460 -3.967 1.00 0.00 C ATOM 1155 C LYS A 74 8.300 26.491 -5.111 1.00 0.00 C ATOM 1156 O LYS A 74 8.017 26.789 -6.272 1.00 0.00 O ATOM 1157 CB LYS A 74 8.690 28.806 -4.250 1.00 0.00 C ATOM 1158 CG LYS A 74 10.198 28.788 -4.059 1.00 0.00 C ATOM 1159 CD LYS A 74 10.676 30.005 -3.283 1.00 0.00 C ATOM 1160 CE LYS A 74 11.060 31.143 -4.215 1.00 0.00 C ATOM 1161 NZ LYS A 74 10.730 32.473 -3.631 1.00 0.00 N ATOM 0 H LYS A 74 9.497 27.004 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 74 6.942 27.604 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.466 29.106 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.258 29.562 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.488 27.881 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.689 28.760 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.890 30.338 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.533 29.732 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.128 31.094 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.541 31.025 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.007 33.223 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.707 32.529 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.245 32.597 -2.736 1.00 0.00 H new ATOM 1174 N GLY A 75 8.857 25.331 -4.777 1.00 0.00 N ATOM 1175 CA GLY A 75 9.168 24.336 -5.788 1.00 0.00 C ATOM 1176 C GLY A 75 7.930 23.651 -6.334 1.00 0.00 C ATOM 1177 O GLY A 75 6.858 24.252 -6.402 1.00 0.00 O ATOM 0 H GLY A 75 9.099 25.062 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.706 24.812 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.835 23.587 -5.362 1.00 0.00 H new ATOM 1181 N GLU A 76 8.080 22.389 -6.726 1.00 0.00 N ATOM 1182 CA GLU A 76 6.970 21.618 -7.269 1.00 0.00 C ATOM 1183 C GLU A 76 6.769 20.327 -6.482 1.00 0.00 C ATOM 1184 O GLU A 76 7.717 19.777 -5.917 1.00 0.00 O ATOM 1185 CB GLU A 76 7.217 21.297 -8.744 1.00 0.00 C ATOM 1186 CG GLU A 76 7.449 22.528 -9.603 1.00 0.00 C ATOM 1187 CD GLU A 76 8.063 22.193 -10.949 1.00 0.00 C ATOM 1188 OE1 GLU A 76 9.303 22.066 -11.021 1.00 0.00 O ATOM 1189 OE2 GLU A 76 7.302 22.058 -11.930 1.00 0.00 O ATOM 0 H GLU A 76 8.962 21.879 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 76 6.065 22.220 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.083 20.640 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.362 20.747 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.500 23.042 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.103 23.219 -9.071 1.00 0.00 H new ATOM 1196 N PHE A 77 5.528 19.853 -6.443 1.00 0.00 N ATOM 1197 CA PHE A 77 5.197 18.632 -5.721 1.00 0.00 C ATOM 1198 C PHE A 77 5.530 17.406 -6.563 1.00 0.00 C ATOM 1199 O PHE A 77 5.007 17.231 -7.663 1.00 0.00 O ATOM 1200 CB PHE A 77 3.710 18.608 -5.335 1.00 0.00 C ATOM 1201 CG PHE A 77 3.160 19.914 -4.811 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.990 20.991 -4.530 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.795 20.061 -4.607 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.474 22.183 -4.062 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.275 21.252 -4.138 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.114 22.314 -3.868 1.00 0.00 C ATOM 0 H PHE A 77 4.734 20.298 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 77 5.794 18.611 -4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.129 18.312 -6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.560 17.839 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.055 20.895 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.132 19.235 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.133 23.011 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.211 21.352 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.707 23.246 -3.505 1.00 0.00 H new ATOM 1216 N ILE A 78 6.402 16.562 -6.032 1.00 0.00 N ATOM 1217 CA ILE A 78 6.819 15.347 -6.714 1.00 0.00 C ATOM 1218 C ILE A 78 6.362 14.118 -5.939 1.00 0.00 C ATOM 1219 O ILE A 78 6.378 14.109 -4.713 1.00 0.00 O ATOM 1220 CB ILE A 78 8.351 15.302 -6.905 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.698 15.543 -8.384 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.923 13.981 -6.397 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.523 14.446 -9.031 1.00 0.00 C ATOM 0 H ILE A 78 6.838 16.699 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 78 6.352 15.348 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 78 8.809 16.096 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.771 15.660 -8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.242 16.484 -8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.003 13.973 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.698 13.871 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.476 13.155 -6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.718 14.703 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.469 14.341 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.975 13.505 -8.987 1.00 0.00 H new ATOM 1235 N TRP A 79 5.956 13.083 -6.657 1.00 0.00 N ATOM 1236 CA TRP A 79 5.494 11.860 -6.020 1.00 0.00 C ATOM 1237 C TRP A 79 6.669 11.087 -5.433 1.00 0.00 C ATOM 1238 O TRP A 79 7.786 11.153 -5.947 1.00 0.00 O ATOM 1239 CB TRP A 79 4.756 10.978 -7.032 1.00 0.00 C ATOM 1240 CG TRP A 79 3.391 11.481 -7.398 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.821 12.665 -7.027 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.422 10.808 -8.211 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.558 12.767 -7.557 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.290 11.641 -8.290 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.403 9.582 -8.881 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.154 11.286 -9.010 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.274 9.231 -9.597 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.163 10.081 -9.656 1.00 0.00 C ATOM 0 H TRP A 79 5.937 13.065 -7.677 1.00 0.00 H new ATOM 0 HA TRP A 79 4.810 12.133 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.358 10.900 -7.937 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.664 9.972 -6.623 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.294 13.412 -6.407 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.922 13.554 -7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.256 8.920 -8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.705 11.939 -9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.248 8.286 -10.119 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.705 9.779 -10.223 1.00 0.00 H new ATOM 1259 N VAL A 80 6.410 10.361 -4.350 1.00 0.00 N ATOM 1260 CA VAL A 80 7.444 9.576 -3.684 1.00 0.00 C ATOM 1261 C VAL A 80 8.047 8.559 -4.648 1.00 0.00 C ATOM 1262 O VAL A 80 9.211 8.175 -4.519 1.00 0.00 O ATOM 1263 CB VAL A 80 6.871 8.837 -2.457 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.482 8.314 -2.765 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.790 7.706 -2.014 1.00 0.00 C ATOM 0 H VAL A 80 5.490 10.300 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 80 8.220 10.265 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 80 6.803 9.546 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.087 7.794 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.827 9.148 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.532 7.623 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.359 7.205 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.904 6.990 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.766 8.113 -1.749 1.00 0.00 H new ATOM 1275 N ASP A 81 7.248 8.134 -5.620 1.00 0.00 N ATOM 1276 CA ASP A 81 7.700 7.171 -6.613 1.00 0.00 C ATOM 1277 C ASP A 81 8.433 7.879 -7.743 1.00 0.00 C ATOM 1278 O ASP A 81 8.724 7.284 -8.781 1.00 0.00 O ATOM 1279 CB ASP A 81 6.512 6.384 -7.170 1.00 0.00 C ATOM 1280 CG ASP A 81 6.936 5.086 -7.829 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.697 4.321 -7.200 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.508 4.835 -8.975 1.00 0.00 O ATOM 0 H ASP A 81 6.283 8.442 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 81 8.387 6.475 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.813 6.167 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.980 7.000 -7.895 1.00 0.00 H new ATOM 1287 N GLY A 82 8.724 9.157 -7.531 1.00 0.00 N ATOM 1288 CA GLY A 82 9.415 9.939 -8.535 1.00 0.00 C ATOM 1289 C GLY A 82 8.618 10.047 -9.817 1.00 0.00 C ATOM 1290 O GLY A 82 9.165 9.903 -10.911 1.00 0.00 O ATOM 0 H GLY A 82 8.492 9.666 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.611 10.938 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.382 9.484 -8.747 1.00 0.00 H new ATOM 1294 N SER A 83 7.319 10.291 -9.681 1.00 0.00 N ATOM 1295 CA SER A 83 6.441 10.405 -10.839 1.00 0.00 C ATOM 1296 C SER A 83 5.823 11.797 -10.944 1.00 0.00 C ATOM 1297 O SER A 83 5.179 12.120 -11.943 1.00 0.00 O ATOM 1298 CB SER A 83 5.337 9.349 -10.772 1.00 0.00 C ATOM 1299 OG SER A 83 4.509 9.402 -11.921 1.00 0.00 O ATOM 0 H SER A 83 6.852 10.413 -8.782 1.00 0.00 H new ATOM 0 HA SER A 83 7.048 10.239 -11.729 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.782 8.358 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.734 9.506 -9.878 1.00 0.00 H new ATOM 0 HG SER A 83 4.422 10.332 -12.219 1.00 0.00 H new ATOM 1305 N HIS A 84 6.018 12.615 -9.911 1.00 0.00 N ATOM 1306 CA HIS A 84 5.475 13.971 -9.893 1.00 0.00 C ATOM 1307 C HIS A 84 3.947 13.949 -9.935 1.00 0.00 C ATOM 1308 O HIS A 84 3.340 12.942 -10.298 1.00 0.00 O ATOM 1309 CB HIS A 84 6.023 14.782 -11.072 1.00 0.00 C ATOM 1310 CG HIS A 84 5.655 16.233 -11.035 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.308 17.156 -10.246 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.697 16.922 -11.699 1.00 0.00 C ATOM 1313 CE1 HIS A 84 5.768 18.349 -10.426 1.00 0.00 C ATOM 1314 NE2 HIS A 84 4.788 18.233 -11.303 1.00 0.00 N ATOM 0 H HIS A 84 6.548 12.362 -9.077 1.00 0.00 H new ATOM 0 HA HIS A 84 5.786 14.446 -8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.109 14.693 -11.087 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.655 14.348 -12.001 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.992 16.515 -12.409 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.076 19.262 -9.939 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.195 18.994 -11.633 1.00 0.00 H new ATOM 1323 N VAL A 85 3.334 15.065 -9.556 1.00 0.00 N ATOM 1324 CA VAL A 85 1.880 15.174 -9.548 1.00 0.00 C ATOM 1325 C VAL A 85 1.304 15.006 -10.951 1.00 0.00 C ATOM 1326 O VAL A 85 1.949 15.349 -11.942 1.00 0.00 O ATOM 1327 CB VAL A 85 1.424 16.528 -8.971 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.091 16.629 -8.975 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.967 16.717 -7.566 1.00 0.00 C ATOM 0 H VAL A 85 3.822 15.907 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 85 1.506 14.372 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 85 1.821 17.322 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.393 17.592 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.459 16.540 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.511 15.828 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.635 17.678 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.600 15.917 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.056 16.692 -7.591 1.00 0.00 H new ATOM 1339 N ASP A 86 0.086 14.474 -11.026 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.577 14.259 -12.307 1.00 0.00 C ATOM 1341 C ASP A 86 -1.880 15.051 -12.396 1.00 0.00 C ATOM 1342 O ASP A 86 -2.227 15.568 -13.457 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.859 12.769 -12.511 1.00 0.00 C ATOM 1344 CG ASP A 86 -0.126 12.202 -13.712 1.00 0.00 C ATOM 1345 OD1 ASP A 86 -0.689 12.244 -14.825 1.00 0.00 O ATOM 1346 OD2 ASP A 86 1.013 11.717 -13.537 1.00 0.00 O ATOM 0 H ASP A 86 -0.460 14.185 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 86 0.090 14.612 -13.093 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.564 12.220 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.931 12.619 -12.639 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.600 15.138 -11.281 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.866 15.865 -11.246 1.00 0.00 C ATOM 1353 C TYR A 87 -3.921 16.832 -10.067 1.00 0.00 C ATOM 1354 O TYR A 87 -4.497 17.915 -10.170 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.039 14.885 -11.169 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.665 14.585 -12.512 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.112 13.635 -13.362 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.811 15.251 -12.930 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -5.680 13.358 -14.591 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.386 14.979 -14.158 1.00 0.00 C ATOM 1361 CZ TYR A 87 -6.817 14.033 -14.983 1.00 0.00 C ATOM 1362 OH TYR A 87 -7.388 13.759 -16.206 1.00 0.00 O ATOM 0 H TYR A 87 -2.330 14.716 -10.393 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.940 16.446 -12.166 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.694 13.953 -10.722 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.801 15.294 -10.505 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.223 13.104 -13.057 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.260 15.993 -12.286 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.236 12.618 -15.240 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.276 15.505 -14.469 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.183 14.319 -16.329 1.00 0.00 H new ATOM 1372 N SER A 88 -3.318 16.431 -8.950 1.00 0.00 N ATOM 1373 CA SER A 88 -3.289 17.250 -7.736 1.00 0.00 C ATOM 1374 C SER A 88 -4.698 17.534 -7.224 1.00 0.00 C ATOM 1375 O SER A 88 -5.653 17.590 -7.997 1.00 0.00 O ATOM 1376 CB SER A 88 -2.552 18.570 -7.982 1.00 0.00 C ATOM 1377 OG SER A 88 -2.147 18.698 -9.334 1.00 0.00 O ATOM 0 H SER A 88 -2.838 15.536 -8.859 1.00 0.00 H new ATOM 0 HA SER A 88 -2.752 16.682 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.201 19.404 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.678 18.626 -7.333 1.00 0.00 H new ATOM 0 HG SER A 88 -1.682 19.552 -9.457 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.824 17.705 -5.910 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.122 17.972 -5.304 1.00 0.00 C ATOM 1385 C ASN A 89 -6.052 19.073 -4.241 1.00 0.00 C ATOM 1386 O ASN A 89 -7.092 19.522 -3.759 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.680 16.693 -4.679 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.105 15.666 -5.707 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.312 15.985 -6.878 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.245 14.421 -5.268 1.00 0.00 N ATOM 0 H ASN A 89 -4.048 17.663 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.783 18.320 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.924 16.255 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.535 16.945 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.535 13.683 -5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.063 14.202 -4.289 1.00 0.00 H new ATOM 1397 N TRP A 90 -4.838 19.504 -3.863 1.00 0.00 N ATOM 1398 CA TRP A 90 -4.692 20.546 -2.848 1.00 0.00 C ATOM 1399 C TRP A 90 -5.704 21.664 -3.065 1.00 0.00 C ATOM 1400 O TRP A 90 -5.569 22.474 -3.982 1.00 0.00 O ATOM 1401 CB TRP A 90 -3.273 21.125 -2.834 1.00 0.00 C ATOM 1402 CG TRP A 90 -2.490 20.879 -4.087 1.00 0.00 C ATOM 1403 CD1 TRP A 90 -1.769 19.762 -4.397 1.00 0.00 C ATOM 1404 CD2 TRP A 90 -2.334 21.778 -5.191 1.00 0.00 C ATOM 1405 NE1 TRP A 90 -1.175 19.910 -5.627 1.00 0.00 N ATOM 1406 CE2 TRP A 90 -1.509 21.139 -6.135 1.00 0.00 C ATOM 1407 CE3 TRP A 90 -2.813 23.060 -5.475 1.00 0.00 C ATOM 1408 CZ2 TRP A 90 -1.152 21.738 -7.340 1.00 0.00 C ATOM 1409 CZ3 TRP A 90 -2.459 23.654 -6.672 1.00 0.00 C ATOM 1410 CH2 TRP A 90 -1.635 22.992 -7.592 1.00 0.00 C ATOM 0 H TRP A 90 -3.959 19.150 -4.241 1.00 0.00 H new ATOM 0 HA TRP A 90 -4.881 20.080 -1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -3.334 22.200 -2.664 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -2.729 20.699 -1.991 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.679 18.889 -3.767 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.583 19.219 -6.087 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.449 23.577 -4.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -0.516 21.230 -8.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -2.823 24.644 -6.902 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -1.376 23.482 -8.519 1.00 0.00 H new ATOM 1421 N ALA A 91 -6.721 21.685 -2.210 1.00 0.00 N ATOM 1422 CA ALA A 91 -7.783 22.683 -2.282 1.00 0.00 C ATOM 1423 C ALA A 91 -7.221 24.083 -2.521 1.00 0.00 C ATOM 1424 O ALA A 91 -6.204 24.461 -1.938 1.00 0.00 O ATOM 1425 CB ALA A 91 -8.609 22.661 -1.004 1.00 0.00 C ATOM 0 H ALA A 91 -6.833 21.014 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.422 22.431 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.399 23.410 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.054 21.674 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.967 22.883 -0.152 1.00 0.00 H new ATOM 1431 N PRO A 92 -7.879 24.876 -3.388 1.00 0.00 N ATOM 1432 CA PRO A 92 -7.440 26.238 -3.702 1.00 0.00 C ATOM 1433 C PRO A 92 -7.767 27.222 -2.584 1.00 0.00 C ATOM 1434 O PRO A 92 -7.239 28.335 -2.549 1.00 0.00 O ATOM 1435 CB PRO A 92 -8.235 26.576 -4.961 1.00 0.00 C ATOM 1436 CG PRO A 92 -9.484 25.774 -4.842 1.00 0.00 C ATOM 1437 CD PRO A 92 -9.101 24.504 -4.129 1.00 0.00 C ATOM 0 HA PRO A 92 -6.360 26.304 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.452 27.643 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.680 26.315 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.245 26.319 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.903 25.558 -5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.891 24.168 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.913 23.692 -4.831 1.00 0.00 H new ATOM 1445 N GLY A 93 -8.642 26.807 -1.674 1.00 0.00 N ATOM 1446 CA GLY A 93 -9.027 27.663 -0.567 1.00 0.00 C ATOM 1447 C GLY A 93 -8.085 27.545 0.614 1.00 0.00 C ATOM 1448 O GLY A 93 -8.415 27.964 1.724 1.00 0.00 O ATOM 0 H GLY A 93 -9.092 25.892 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.052 28.699 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.037 27.407 -0.248 1.00 0.00 H new ATOM 1452 N GLU A 94 -6.909 26.972 0.377 1.00 0.00 N ATOM 1453 CA GLU A 94 -5.915 26.800 1.430 1.00 0.00 C ATOM 1454 C GLU A 94 -4.595 27.469 1.048 1.00 0.00 C ATOM 1455 O GLU A 94 -3.644 26.800 0.644 1.00 0.00 O ATOM 1456 CB GLU A 94 -5.687 25.312 1.706 1.00 0.00 C ATOM 1457 CG GLU A 94 -6.869 24.630 2.374 1.00 0.00 C ATOM 1458 CD GLU A 94 -6.751 24.609 3.886 1.00 0.00 C ATOM 1459 OE1 GLU A 94 -6.544 25.688 4.479 1.00 0.00 O ATOM 1460 OE2 GLU A 94 -6.869 23.514 4.475 1.00 0.00 O ATOM 0 H GLU A 94 -6.621 26.619 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.293 27.276 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.470 24.806 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.807 25.199 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.788 25.144 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.950 23.608 2.005 1.00 0.00 H new ATOM 1467 N PRO A 95 -4.521 28.807 1.171 1.00 0.00 N ATOM 1468 CA PRO A 95 -3.312 29.567 0.837 1.00 0.00 C ATOM 1469 C PRO A 95 -2.090 29.079 1.608 1.00 0.00 C ATOM 1470 O PRO A 95 -2.044 29.163 2.836 1.00 0.00 O ATOM 1471 CB PRO A 95 -3.661 31.002 1.244 1.00 0.00 C ATOM 1472 CG PRO A 95 -5.149 31.052 1.234 1.00 0.00 C ATOM 1473 CD PRO A 95 -5.610 29.682 1.644 1.00 0.00 C ATOM 0 HA PRO A 95 -3.048 29.463 -0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.264 31.240 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.237 31.725 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.519 31.811 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.524 31.310 0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.746 29.609 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.564 29.423 1.184 1.00 0.00 H new ATOM 1481 N THR A 96 -1.102 28.568 0.880 1.00 0.00 N ATOM 1482 CA THR A 96 0.121 28.066 1.496 1.00 0.00 C ATOM 1483 C THR A 96 0.941 29.209 2.086 1.00 0.00 C ATOM 1484 O THR A 96 1.233 30.193 1.406 1.00 0.00 O ATOM 1485 CB THR A 96 0.957 27.301 0.468 1.00 0.00 C ATOM 1486 OG1 THR A 96 0.121 26.621 -0.452 1.00 0.00 O ATOM 1487 CG2 THR A 96 1.882 26.279 1.091 1.00 0.00 C ATOM 0 H THR A 96 -1.125 28.491 -0.137 1.00 0.00 H new ATOM 0 HA THR A 96 -0.159 27.389 2.303 1.00 0.00 H new ATOM 0 HB THR A 96 1.562 28.057 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.674 26.139 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.445 25.773 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.573 26.779 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.295 25.547 1.646 1.00 0.00 H new ATOM 1495 N SER A 97 1.311 29.070 3.355 1.00 0.00 N ATOM 1496 CA SER A 97 2.099 30.090 4.038 1.00 0.00 C ATOM 1497 C SER A 97 3.582 29.942 3.712 1.00 0.00 C ATOM 1498 O SER A 97 3.965 29.116 2.884 1.00 0.00 O ATOM 1499 CB SER A 97 1.885 30.001 5.551 1.00 0.00 C ATOM 1500 OG SER A 97 0.730 30.721 5.946 1.00 0.00 O ATOM 0 H SER A 97 1.078 28.261 3.931 1.00 0.00 H new ATOM 0 HA SER A 97 1.765 31.067 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.785 28.957 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.759 30.397 6.069 1.00 0.00 H new ATOM 0 HG SER A 97 0.614 30.647 6.916 1.00 0.00 H new ATOM 1506 N ARG A 98 4.410 30.747 4.370 1.00 0.00 N ATOM 1507 CA ARG A 98 5.852 30.705 4.151 1.00 0.00 C ATOM 1508 C ARG A 98 6.581 30.238 5.407 1.00 0.00 C ATOM 1509 O ARG A 98 6.823 31.020 6.325 1.00 0.00 O ATOM 1510 CB ARG A 98 6.367 32.083 3.731 1.00 0.00 C ATOM 1511 CG ARG A 98 5.683 33.236 4.450 1.00 0.00 C ATOM 1512 CD ARG A 98 5.078 34.225 3.466 1.00 0.00 C ATOM 1513 NE ARG A 98 3.707 33.872 3.108 1.00 0.00 N ATOM 1514 CZ ARG A 98 3.111 34.270 1.988 1.00 0.00 C ATOM 1515 NH1 ARG A 98 3.763 35.032 1.120 1.00 0.00 N ATOM 1516 NH2 ARG A 98 1.862 33.906 1.735 1.00 0.00 N ATOM 0 H ARG A 98 4.108 31.436 5.059 1.00 0.00 H new ATOM 0 HA ARG A 98 6.051 29.992 3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.439 32.134 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.227 32.202 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.902 32.847 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.404 33.749 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.093 35.224 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.690 34.260 2.565 1.00 0.00 H new ATOM 0 HE ARG A 98 3.177 33.287 3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.724 35.314 1.311 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.303 35.336 0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.357 33.320 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.406 34.212 0.876 1.00 0.00 H new ATOM 1530 N SER A 99 6.928 28.954 5.439 1.00 0.00 N ATOM 1531 CA SER A 99 7.629 28.380 6.581 1.00 0.00 C ATOM 1532 C SER A 99 8.299 27.063 6.202 1.00 0.00 C ATOM 1533 O SER A 99 7.791 26.315 5.366 1.00 0.00 O ATOM 1534 CB SER A 99 6.659 28.156 7.744 1.00 0.00 C ATOM 1535 OG SER A 99 6.128 26.843 7.720 1.00 0.00 O ATOM 0 H SER A 99 6.735 28.293 4.687 1.00 0.00 H new ATOM 0 HA SER A 99 8.401 29.084 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.174 28.326 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.847 28.881 7.689 1.00 0.00 H new ATOM 0 HG SER A 99 5.451 26.777 7.015 1.00 0.00 H new ATOM 1541 N GLN A 100 9.442 26.786 6.822 1.00 0.00 N ATOM 1542 CA GLN A 100 10.181 25.558 6.550 1.00 0.00 C ATOM 1543 C GLN A 100 9.383 24.334 6.983 1.00 0.00 C ATOM 1544 O GLN A 100 8.685 24.362 7.998 1.00 0.00 O ATOM 1545 CB GLN A 100 11.532 25.582 7.267 1.00 0.00 C ATOM 1546 CG GLN A 100 12.711 25.275 6.358 1.00 0.00 C ATOM 1547 CD GLN A 100 14.021 25.811 6.901 1.00 0.00 C ATOM 1548 OE1 GLN A 100 14.695 25.151 7.693 1.00 0.00 O ATOM 1549 NE2 GLN A 100 14.389 27.015 6.476 1.00 0.00 N ATOM 0 H GLN A 100 9.876 27.395 7.516 1.00 0.00 H new ATOM 0 HA GLN A 100 10.349 25.496 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.677 26.564 7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.514 24.858 8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.791 24.196 6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.527 25.705 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.799 27.526 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.261 27.428 6.806 1.00 0.00 H new ATOM 1558 N GLY A 101 9.491 23.258 6.209 1.00 0.00 N ATOM 1559 CA GLY A 101 8.774 22.037 6.528 1.00 0.00 C ATOM 1560 C GLY A 101 9.289 20.842 5.752 1.00 0.00 C ATOM 1561 O GLY A 101 10.382 20.884 5.187 1.00 0.00 O ATOM 0 H GLY A 101 10.063 23.210 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.860 21.837 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.714 22.176 6.314 1.00 0.00 H new ATOM 1565 N GLU A 102 8.499 19.773 5.722 1.00 0.00 N ATOM 1566 CA GLU A 102 8.881 18.559 5.009 1.00 0.00 C ATOM 1567 C GLU A 102 8.220 18.501 3.636 1.00 0.00 C ATOM 1568 O GLU A 102 8.578 17.669 2.801 1.00 0.00 O ATOM 1569 CB GLU A 102 8.500 17.322 5.824 1.00 0.00 C ATOM 1570 CG GLU A 102 9.692 16.467 6.226 1.00 0.00 C ATOM 1571 CD GLU A 102 10.201 16.794 7.616 1.00 0.00 C ATOM 1572 OE1 GLU A 102 10.868 17.839 7.773 1.00 0.00 O ATOM 1573 OE2 GLU A 102 9.932 16.008 8.547 1.00 0.00 O ATOM 0 H GLU A 102 7.591 19.723 6.183 1.00 0.00 H new ATOM 0 HA GLU A 102 9.962 18.576 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.971 17.638 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.807 16.714 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.410 15.415 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.497 16.610 5.505 1.00 0.00 H new ATOM 1580 N ASP A 103 7.256 19.392 3.408 1.00 0.00 N ATOM 1581 CA ASP A 103 6.544 19.446 2.134 1.00 0.00 C ATOM 1582 C ASP A 103 5.832 18.127 1.847 1.00 0.00 C ATOM 1583 O ASP A 103 6.436 17.175 1.354 1.00 0.00 O ATOM 1584 CB ASP A 103 7.513 19.775 0.999 1.00 0.00 C ATOM 1585 CG ASP A 103 8.500 20.862 1.379 1.00 0.00 C ATOM 1586 OD1 ASP A 103 8.062 22.008 1.611 1.00 0.00 O ATOM 1587 OD2 ASP A 103 9.712 20.566 1.447 1.00 0.00 O ATOM 0 H ASP A 103 6.951 20.086 4.090 1.00 0.00 H new ATOM 0 HA ASP A 103 5.793 20.233 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 103 8.059 18.874 0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.948 20.091 0.122 1.00 0.00 H new ATOM 1592 N CYS A 104 4.539 18.083 2.156 1.00 0.00 N ATOM 1593 CA CYS A 104 3.738 16.885 1.933 1.00 0.00 C ATOM 1594 C CYS A 104 2.262 17.240 1.778 1.00 0.00 C ATOM 1595 O CYS A 104 1.824 18.316 2.187 1.00 0.00 O ATOM 1596 CB CYS A 104 3.918 15.901 3.090 1.00 0.00 C ATOM 1597 SG CYS A 104 3.292 16.510 4.688 1.00 0.00 S ATOM 0 H CYS A 104 4.024 18.864 2.562 1.00 0.00 H new ATOM 0 HA CYS A 104 4.081 16.416 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.408 14.970 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.978 15.667 3.192 1.00 0.00 H new ATOM 1602 N VAL A 105 1.503 16.330 1.178 1.00 0.00 N ATOM 1603 CA VAL A 105 0.080 16.543 0.961 1.00 0.00 C ATOM 1604 C VAL A 105 -0.761 15.522 1.727 1.00 0.00 C ATOM 1605 O VAL A 105 -0.434 14.337 1.774 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.261 16.476 -0.538 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.763 16.501 -0.755 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.396 17.628 -1.276 1.00 0.00 C ATOM 0 H VAL A 105 1.852 15.436 0.833 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.159 17.538 1.337 1.00 0.00 H new ATOM 0 HB VAL A 105 0.124 15.536 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.977 16.453 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.217 15.646 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.175 17.423 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.148 17.570 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.035 18.573 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.477 17.569 -1.153 1.00 0.00 H new ATOM 1618 N MET A 106 -1.843 16.004 2.328 1.00 0.00 N ATOM 1619 CA MET A 106 -2.750 15.166 3.104 1.00 0.00 C ATOM 1620 C MET A 106 -4.197 15.471 2.727 1.00 0.00 C ATOM 1621 O MET A 106 -4.463 16.432 2.016 1.00 0.00 O ATOM 1622 CB MET A 106 -2.524 15.376 4.607 1.00 0.00 C ATOM 1623 CG MET A 106 -3.539 16.298 5.266 1.00 0.00 C ATOM 1624 SD MET A 106 -2.843 17.225 6.646 1.00 0.00 S ATOM 1625 CE MET A 106 -4.333 17.727 7.504 1.00 0.00 C ATOM 0 H MET A 106 -2.116 16.986 2.291 1.00 0.00 H new ATOM 0 HA MET A 106 -2.545 14.121 2.874 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.551 14.407 5.106 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.525 15.785 4.759 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.926 16.996 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.384 15.708 5.620 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.086 18.480 8.252 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.041 18.145 6.789 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.780 16.862 7.994 1.00 0.00 H new ATOM 1635 N MET A 107 -5.131 14.650 3.193 1.00 0.00 N ATOM 1636 CA MET A 107 -6.542 14.858 2.878 1.00 0.00 C ATOM 1637 C MET A 107 -7.364 15.020 4.150 1.00 0.00 C ATOM 1638 O MET A 107 -7.254 14.224 5.081 1.00 0.00 O ATOM 1639 CB MET A 107 -7.094 13.685 2.070 1.00 0.00 C ATOM 1640 CG MET A 107 -6.188 12.469 2.044 1.00 0.00 C ATOM 1641 SD MET A 107 -5.794 11.953 0.365 1.00 0.00 S ATOM 1642 CE MET A 107 -7.412 12.046 -0.398 1.00 0.00 C ATOM 0 H MET A 107 -4.941 13.841 3.785 1.00 0.00 H new ATOM 0 HA MET A 107 -6.616 15.770 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 107 -8.060 13.396 2.483 1.00 0.00 H new ATOM 0 HB3 MET A 107 -7.271 14.015 1.046 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.266 12.693 2.580 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.671 11.646 2.572 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.366 11.622 -1.401 1.00 0.00 H new ATOM 0 HE2 MET A 107 -8.129 11.485 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 107 -7.726 13.088 -0.459 1.00 0.00 H new ATOM 1652 N ARG A 108 -8.188 16.063 4.180 1.00 0.00 N ATOM 1653 CA ARG A 108 -9.033 16.341 5.337 1.00 0.00 C ATOM 1654 C ARG A 108 -10.409 15.703 5.176 1.00 0.00 C ATOM 1655 O ARG A 108 -10.616 14.862 4.301 1.00 0.00 O ATOM 1656 CB ARG A 108 -9.177 17.851 5.538 1.00 0.00 C ATOM 1657 CG ARG A 108 -7.961 18.497 6.180 1.00 0.00 C ATOM 1658 CD ARG A 108 -8.350 19.703 7.020 1.00 0.00 C ATOM 1659 NE ARG A 108 -8.730 19.325 8.378 1.00 0.00 N ATOM 1660 CZ ARG A 108 -8.400 20.025 9.460 1.00 0.00 C ATOM 1661 NH1 ARG A 108 -7.688 21.138 9.341 1.00 0.00 N ATOM 1662 NH2 ARG A 108 -8.784 19.614 10.660 1.00 0.00 N ATOM 0 H ARG A 108 -8.289 16.731 3.415 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.555 15.908 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.361 18.322 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.052 18.045 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.447 17.767 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.258 18.803 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.515 20.402 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.180 20.224 6.543 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.280 18.475 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.393 21.458 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.436 21.673 10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.333 18.760 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.530 20.152 11.489 1.00 0.00 H new ATOM 1676 N GLY A 109 -11.346 16.109 6.028 1.00 0.00 N ATOM 1677 CA GLY A 109 -12.691 15.568 5.966 1.00 0.00 C ATOM 1678 C GLY A 109 -13.534 16.223 4.891 1.00 0.00 C ATOM 1679 O GLY A 109 -14.683 15.838 4.673 1.00 0.00 O ATOM 0 H GLY A 109 -11.197 16.803 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.639 14.496 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.176 15.699 6.933 1.00 0.00 H new ATOM 1683 N SER A 110 -12.963 17.215 4.213 1.00 0.00 N ATOM 1684 CA SER A 110 -13.671 17.923 3.153 1.00 0.00 C ATOM 1685 C SER A 110 -13.943 16.998 1.972 1.00 0.00 C ATOM 1686 O SER A 110 -15.005 17.057 1.354 1.00 0.00 O ATOM 1687 CB SER A 110 -12.862 19.136 2.691 1.00 0.00 C ATOM 1688 OG SER A 110 -13.228 20.298 3.413 1.00 0.00 O ATOM 0 H SER A 110 -12.013 17.546 4.379 1.00 0.00 H new ATOM 0 HA SER A 110 -14.626 18.265 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.798 18.940 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.023 19.300 1.626 1.00 0.00 H new ATOM 0 HG SER A 110 -12.695 21.059 3.100 1.00 0.00 H new ATOM 1694 N GLY A 111 -12.974 16.140 1.670 1.00 0.00 N ATOM 1695 CA GLY A 111 -13.123 15.207 0.569 1.00 0.00 C ATOM 1696 C GLY A 111 -12.031 15.355 -0.472 1.00 0.00 C ATOM 1697 O GLY A 111 -12.095 14.743 -1.538 1.00 0.00 O ATOM 0 H GLY A 111 -12.087 16.074 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.114 14.188 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.093 15.360 0.097 1.00 0.00 H new ATOM 1701 N ARG A 112 -11.025 16.169 -0.166 1.00 0.00 N ATOM 1702 CA ARG A 112 -9.918 16.388 -1.087 1.00 0.00 C ATOM 1703 C ARG A 112 -8.585 16.449 -0.345 1.00 0.00 C ATOM 1704 O ARG A 112 -8.446 15.911 0.752 1.00 0.00 O ATOM 1705 CB ARG A 112 -10.128 17.680 -1.888 1.00 0.00 C ATOM 1706 CG ARG A 112 -10.854 18.781 -1.125 1.00 0.00 C ATOM 1707 CD ARG A 112 -10.119 19.166 0.150 1.00 0.00 C ATOM 1708 NE ARG A 112 -10.361 20.558 0.521 1.00 0.00 N ATOM 1709 CZ ARG A 112 -10.234 21.023 1.761 1.00 0.00 C ATOM 1710 NH1 ARG A 112 -9.873 20.211 2.744 1.00 0.00 N ATOM 1711 NH2 ARG A 112 -10.470 22.303 2.016 1.00 0.00 N ATOM 0 H ARG A 112 -10.955 16.686 0.711 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.891 15.543 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.157 18.056 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.693 17.446 -2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.957 19.658 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.862 18.447 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.437 18.513 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.049 19.008 0.014 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.643 21.210 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -9.691 19.226 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.777 20.571 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.749 22.930 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.373 22.660 2.967 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.613 17.108 -0.960 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.281 17.254 -0.390 1.00 0.00 C ATOM 1727 C TRP A 113 -6.032 18.662 0.094 1.00 0.00 C ATOM 1728 O TRP A 113 -6.672 19.616 -0.343 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.186 16.997 -1.419 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.161 15.647 -2.038 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.981 14.590 -1.793 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.243 15.229 -3.041 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.624 13.530 -2.592 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.553 13.900 -3.369 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.185 15.865 -3.693 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.837 13.186 -4.329 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.473 15.160 -4.646 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.802 13.832 -4.957 1.00 0.00 C ATOM 0 H TRP A 113 -7.726 17.557 -1.869 1.00 0.00 H new ATOM 0 HA TRP A 113 -6.247 16.530 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.286 17.735 -2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.222 17.171 -0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.791 14.584 -1.078 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.080 12.618 -2.606 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.928 16.887 -3.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.088 12.163 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.652 15.639 -5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.228 13.307 -5.707 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.024 18.776 0.932 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.575 20.051 1.417 1.00 0.00 C ATOM 1751 C ASN A 114 -3.055 20.028 1.425 1.00 0.00 C ATOM 1752 O ASN A 114 -2.438 19.203 2.099 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.117 20.326 2.820 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.629 20.256 2.880 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.313 21.276 2.797 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.161 19.048 3.026 1.00 0.00 N ATOM 0 H ASN A 114 -4.496 17.982 1.293 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.942 20.849 0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.695 19.603 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.789 21.313 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.174 18.939 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.557 18.229 3.091 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.459 20.926 0.661 1.00 0.00 N ATOM 1764 CA ASP A 115 -1.016 21.007 0.560 1.00 0.00 C ATOM 1765 C ASP A 115 -0.441 21.873 1.673 1.00 0.00 C ATOM 1766 O ASP A 115 -0.862 23.013 1.871 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.623 21.563 -0.807 1.00 0.00 C ATOM 1768 CG ASP A 115 0.877 21.546 -1.014 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.433 20.452 -1.244 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.497 22.628 -0.942 1.00 0.00 O ATOM 0 H ASP A 115 -2.959 21.614 0.098 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.603 20.004 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.104 20.976 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.991 22.584 -0.903 1.00 0.00 H new ATOM 1775 N ALA A 116 0.520 21.318 2.401 1.00 0.00 N ATOM 1776 CA ALA A 116 1.155 22.022 3.499 1.00 0.00 C ATOM 1777 C ALA A 116 2.590 21.551 3.692 1.00 0.00 C ATOM 1778 O ALA A 116 2.977 20.487 3.209 1.00 0.00 O ATOM 1779 CB ALA A 116 0.356 21.837 4.780 1.00 0.00 C ATOM 0 H ALA A 116 0.876 20.375 2.246 1.00 0.00 H new ATOM 0 HA ALA A 116 1.179 23.084 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.845 22.371 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.651 22.231 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.300 20.776 5.024 1.00 0.00 H new ATOM 1785 N PHE A 117 3.374 22.356 4.399 1.00 0.00 N ATOM 1786 CA PHE A 117 4.775 22.035 4.663 1.00 0.00 C ATOM 1787 C PHE A 117 4.907 20.913 5.694 1.00 0.00 C ATOM 1788 O PHE A 117 5.889 20.856 6.436 1.00 0.00 O ATOM 1789 CB PHE A 117 5.537 23.276 5.145 1.00 0.00 C ATOM 1790 CG PHE A 117 4.654 24.385 5.650 1.00 0.00 C ATOM 1791 CD1 PHE A 117 3.817 24.184 6.735 1.00 0.00 C ATOM 1792 CD2 PHE A 117 4.664 25.627 5.037 1.00 0.00 C ATOM 1793 CE1 PHE A 117 3.007 25.202 7.201 1.00 0.00 C ATOM 1794 CE2 PHE A 117 3.856 26.649 5.498 1.00 0.00 C ATOM 1795 CZ PHE A 117 3.027 26.436 6.582 1.00 0.00 C ATOM 0 H PHE A 117 3.063 23.240 4.802 1.00 0.00 H new ATOM 0 HA PHE A 117 5.211 21.692 3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.222 22.982 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.145 23.656 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.797 23.220 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.311 25.799 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.359 25.033 8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 117 3.873 27.613 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.395 27.233 6.945 1.00 0.00 H new ATOM 1805 N CYS A 118 3.920 20.020 5.727 1.00 0.00 N ATOM 1806 CA CYS A 118 3.920 18.890 6.655 1.00 0.00 C ATOM 1807 C CYS A 118 3.791 19.350 8.104 1.00 0.00 C ATOM 1808 O CYS A 118 4.129 18.611 9.029 1.00 0.00 O ATOM 1809 CB CYS A 118 5.191 18.056 6.482 1.00 0.00 C ATOM 1810 SG CYS A 118 4.891 16.346 5.929 1.00 0.00 S ATOM 0 H CYS A 118 3.104 20.058 5.117 1.00 0.00 H new ATOM 0 HA CYS A 118 3.052 18.274 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 118 5.842 18.551 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 118 5.728 18.031 7.430 1.00 0.00 H new ATOM 1815 N ASP A 119 3.291 20.566 8.299 1.00 0.00 N ATOM 1816 CA ASP A 119 3.113 21.108 9.642 1.00 0.00 C ATOM 1817 C ASP A 119 1.675 20.914 10.114 1.00 0.00 C ATOM 1818 O ASP A 119 1.056 21.833 10.652 1.00 0.00 O ATOM 1819 CB ASP A 119 3.480 22.591 9.676 1.00 0.00 C ATOM 1820 CG ASP A 119 4.979 22.815 9.695 1.00 0.00 C ATOM 1821 OD1 ASP A 119 5.649 22.436 8.711 1.00 0.00 O ATOM 1822 OD2 ASP A 119 5.485 23.368 10.694 1.00 0.00 O ATOM 0 H ASP A 119 3.003 21.193 7.548 1.00 0.00 H new ATOM 0 HA ASP A 119 3.777 20.568 10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.052 23.088 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.035 23.052 10.558 1.00 0.00 H new ATOM 1827 N ARG A 120 1.148 19.710 9.905 1.00 0.00 N ATOM 1828 CA ARG A 120 -0.219 19.391 10.303 1.00 0.00 C ATOM 1829 C ARG A 120 -0.231 18.382 11.452 1.00 0.00 C ATOM 1830 O ARG A 120 0.616 18.438 12.342 1.00 0.00 O ATOM 1831 CB ARG A 120 -1.002 18.849 9.105 1.00 0.00 C ATOM 1832 CG ARG A 120 -0.878 19.709 7.858 1.00 0.00 C ATOM 1833 CD ARG A 120 -1.921 20.814 7.838 1.00 0.00 C ATOM 1834 NE ARG A 120 -2.389 21.100 6.484 1.00 0.00 N ATOM 1835 CZ ARG A 120 -3.090 22.182 6.159 1.00 0.00 C ATOM 1836 NH1 ARG A 120 -3.404 23.077 7.087 1.00 0.00 N ATOM 1837 NH2 ARG A 120 -3.477 22.371 4.905 1.00 0.00 N ATOM 0 H ARG A 120 1.648 18.939 9.462 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.699 20.305 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.652 17.842 8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -2.054 18.767 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.119 20.147 7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.991 19.085 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.768 20.525 8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -1.499 21.719 8.274 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.165 20.432 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.107 22.936 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.942 23.906 6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.237 21.686 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.015 23.201 4.657 1.00 0.00 H new ATOM 1851 N LYS A 121 -1.196 17.463 11.430 1.00 0.00 N ATOM 1852 CA LYS A 121 -1.311 16.450 12.473 1.00 0.00 C ATOM 1853 C LYS A 121 -2.337 15.388 12.090 1.00 0.00 C ATOM 1854 O LYS A 121 -3.478 15.416 12.554 1.00 0.00 O ATOM 1855 CB LYS A 121 -1.703 17.098 13.804 1.00 0.00 C ATOM 1856 CG LYS A 121 -1.343 16.259 15.019 1.00 0.00 C ATOM 1857 CD LYS A 121 -0.383 16.995 15.940 1.00 0.00 C ATOM 1858 CE LYS A 121 0.891 16.198 16.167 1.00 0.00 C ATOM 1859 NZ LYS A 121 2.030 16.730 15.370 1.00 0.00 N ATOM 0 H LYS A 121 -1.907 17.401 10.702 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.340 15.968 12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.212 18.068 13.885 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.777 17.283 13.806 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.250 16.002 15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.891 15.322 14.694 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.135 17.965 15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.869 17.186 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.148 16.219 17.226 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.718 15.155 15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.879 16.158 15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.796 16.686 14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.212 17.717 15.641 1.00 0.00 H new ATOM 1872 N LEU A 122 -1.923 14.455 11.240 1.00 0.00 N ATOM 1873 CA LEU A 122 -2.802 13.384 10.790 1.00 0.00 C ATOM 1874 C LEU A 122 -2.790 12.221 11.781 1.00 0.00 C ATOM 1875 O LEU A 122 -2.387 12.386 12.933 1.00 0.00 O ATOM 1876 CB LEU A 122 -2.368 12.907 9.407 1.00 0.00 C ATOM 1877 CG LEU A 122 -3.505 12.590 8.441 1.00 0.00 C ATOM 1878 CD1 LEU A 122 -4.019 13.861 7.785 1.00 0.00 C ATOM 1879 CD2 LEU A 122 -3.037 11.602 7.387 1.00 0.00 C ATOM 0 H LEU A 122 -0.982 14.419 10.848 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.820 13.769 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.735 13.673 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -1.754 12.014 9.525 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.323 12.140 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.830 13.614 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.387 14.543 8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.210 14.338 7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.857 11.384 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.205 12.032 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.713 10.681 7.871 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.235 11.046 11.336 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.260 9.891 12.218 1.00 0.00 C ATOM 1893 C GLY A 123 -3.476 8.574 11.491 1.00 0.00 C ATOM 1894 O GLY A 123 -3.571 7.524 12.127 1.00 0.00 O ATOM 0 H GLY A 123 -3.575 10.875 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.320 9.843 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.052 10.024 12.954 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.554 8.618 10.164 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.758 7.408 9.376 1.00 0.00 C ATOM 1900 C ALA A 124 -2.704 7.278 8.283 1.00 0.00 C ATOM 1901 O ALA A 124 -2.455 8.224 7.539 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.154 7.401 8.771 1.00 0.00 C ATOM 0 H ALA A 124 -3.479 9.474 9.615 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.658 6.551 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.292 6.492 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.896 7.435 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.275 8.271 8.125 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.094 6.098 8.180 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.075 5.856 7.169 1.00 0.00 C ATOM 1910 C TRP A 125 -1.625 4.964 6.071 1.00 0.00 C ATOM 1911 O TRP A 125 -2.229 3.924 6.344 1.00 0.00 O ATOM 1912 CB TRP A 125 0.172 5.221 7.791 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.121 4.003 8.612 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.614 3.974 9.883 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.067 2.637 8.222 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.749 2.675 10.308 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.337 1.836 9.308 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.535 2.013 7.063 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.286 0.445 9.266 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.585 0.632 7.024 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.176 -0.138 8.119 1.00 0.00 C ATOM 0 H TRP A 125 -2.289 5.299 8.784 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.790 6.815 6.736 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.868 4.954 6.996 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.671 5.960 8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.862 4.846 10.470 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.099 2.383 11.220 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.852 2.599 6.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.600 -0.152 10.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.946 0.139 6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.226 -1.215 8.056 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.428 5.378 4.828 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.924 4.613 3.703 1.00 0.00 C ATOM 1934 C VAL A 126 -0.860 4.415 2.629 1.00 0.00 C ATOM 1935 O VAL A 126 -0.231 5.365 2.165 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.164 5.284 3.081 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.123 6.789 3.287 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.281 4.945 1.605 1.00 0.00 C ATOM 0 H VAL A 126 -0.932 6.233 4.578 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.201 3.633 4.092 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.048 4.896 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.008 7.242 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.102 7.010 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.229 7.197 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.164 5.430 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.393 5.296 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.370 3.865 1.486 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.700 3.164 2.232 1.00 0.00 N ATOM 1949 CA CYS A 127 0.242 2.774 1.193 1.00 0.00 C ATOM 1950 C CYS A 127 -0.407 1.701 0.336 1.00 0.00 C ATOM 1951 O CYS A 127 -1.399 1.100 0.747 1.00 0.00 O ATOM 1952 CB CYS A 127 1.553 2.254 1.782 1.00 0.00 C ATOM 1953 SG CYS A 127 2.374 3.405 2.926 1.00 0.00 S ATOM 0 H CYS A 127 -1.224 2.382 2.625 1.00 0.00 H new ATOM 0 HA CYS A 127 0.486 3.650 0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.356 1.319 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.237 2.023 0.966 1.00 0.00 H new ATOM 1958 N ASP A 128 0.130 1.455 -0.846 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.440 0.445 -1.717 1.00 0.00 C ATOM 1960 C ASP A 128 0.604 -0.573 -2.134 1.00 0.00 C ATOM 1961 O ASP A 128 1.767 -0.245 -2.348 1.00 0.00 O ATOM 1962 CB ASP A 128 -1.056 1.098 -2.955 1.00 0.00 C ATOM 1963 CG ASP A 128 -0.045 1.905 -3.747 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.501 2.880 -3.193 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.200 1.559 -4.922 1.00 0.00 O ATOM 0 H ASP A 128 0.949 1.934 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.220 -0.075 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.482 0.326 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.876 1.748 -2.650 1.00 0.00 H new ATOM 1970 N ARG A 129 0.161 -1.814 -2.251 1.00 0.00 N ATOM 1971 CA ARG A 129 1.026 -2.917 -2.643 1.00 0.00 C ATOM 1972 C ARG A 129 0.203 -4.020 -3.293 1.00 0.00 C ATOM 1973 O ARG A 129 -1.020 -4.044 -3.172 1.00 0.00 O ATOM 1974 CB ARG A 129 1.769 -3.471 -1.426 1.00 0.00 C ATOM 1975 CG ARG A 129 0.865 -4.170 -0.424 1.00 0.00 C ATOM 1976 CD ARG A 129 1.305 -5.606 -0.184 1.00 0.00 C ATOM 1977 NE ARG A 129 0.802 -6.129 1.084 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.457 -7.016 1.827 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.635 -7.477 1.431 1.00 0.00 N ATOM 1980 NH2 ARG A 129 0.932 -7.443 2.968 1.00 0.00 N ATOM 0 H ARG A 129 -0.807 -2.086 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 129 1.757 -2.546 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.531 -4.172 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.288 -2.654 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.874 -3.623 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.162 -4.159 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.951 -6.235 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.394 -5.657 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.102 -5.795 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.042 -7.151 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.135 -8.157 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.025 -7.091 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.435 -8.123 3.538 1.00 0.00 H new ATOM 1994 N LEU A 130 0.876 -4.931 -3.977 1.00 0.00 N ATOM 1995 CA LEU A 130 0.190 -6.032 -4.640 1.00 0.00 C ATOM 1996 C LEU A 130 -0.295 -7.061 -3.628 1.00 0.00 C ATOM 1997 O LEU A 130 0.446 -7.466 -2.731 1.00 0.00 O ATOM 1998 CB LEU A 130 1.108 -6.688 -5.673 1.00 0.00 C ATOM 1999 CG LEU A 130 1.842 -5.713 -6.596 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.385 -6.439 -7.816 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.925 -4.570 -7.016 1.00 0.00 C ATOM 0 H LEU A 130 1.890 -4.932 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.682 -5.628 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.846 -7.294 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.515 -7.368 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 130 2.682 -5.290 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.904 -5.729 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.080 -7.216 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.561 -6.893 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.468 -3.890 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.061 -4.972 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.588 -4.030 -6.131 1.00 0.00 H new ATOM 2013 N ALA A 131 -1.548 -7.470 -3.777 1.00 0.00 N ATOM 2014 CA ALA A 131 -2.155 -8.446 -2.879 1.00 0.00 C ATOM 2015 C ALA A 131 -1.320 -9.718 -2.789 1.00 0.00 C ATOM 2016 O ALA A 131 -0.681 -10.123 -3.761 1.00 0.00 O ATOM 2017 CB ALA A 131 -3.569 -8.774 -3.335 1.00 0.00 C ATOM 0 H ALA A 131 -2.168 -7.139 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 131 -2.195 -8.003 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.010 -9.504 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.172 -7.866 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -3.539 -9.188 -4.343 1.00 0.00 H new ATOM 2023 N THR A 132 -1.332 -10.342 -1.617 1.00 0.00 N ATOM 2024 CA THR A 132 -0.578 -11.568 -1.395 1.00 0.00 C ATOM 2025 C THR A 132 -1.512 -12.770 -1.306 1.00 0.00 C ATOM 2026 O THR A 132 -2.034 -13.087 -0.237 1.00 0.00 O ATOM 2027 CB THR A 132 0.256 -11.457 -0.118 1.00 0.00 C ATOM 2028 OG1 THR A 132 0.639 -10.114 0.115 1.00 0.00 O ATOM 2029 CG2 THR A 132 1.515 -12.295 -0.151 1.00 0.00 C ATOM 0 H THR A 132 -1.857 -10.018 -0.805 1.00 0.00 H new ATOM 0 HA THR A 132 0.091 -11.712 -2.243 1.00 0.00 H new ATOM 0 HB THR A 132 -0.387 -11.828 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 132 1.170 -10.063 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 132 2.060 -12.170 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.250 -13.344 -0.280 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.143 -11.975 -0.982 1.00 0.00 H new ATOM 2037 N CYS A 133 -1.720 -13.437 -2.438 1.00 0.00 N ATOM 2038 CA CYS A 133 -2.591 -14.604 -2.489 1.00 0.00 C ATOM 2039 C CYS A 133 -2.180 -15.543 -3.620 1.00 0.00 C ATOM 2040 O CYS A 133 -1.725 -15.098 -4.674 1.00 0.00 O ATOM 2041 CB CYS A 133 -4.047 -14.171 -2.675 1.00 0.00 C ATOM 2042 SG CYS A 133 -5.202 -15.549 -2.972 1.00 0.00 S ATOM 0 H CYS A 133 -1.296 -13.188 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 133 -2.495 -15.139 -1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -4.369 -13.626 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -4.104 -13.477 -3.513 1.00 0.00 H new ATOM 2047 N THR A 134 -2.343 -16.842 -3.392 1.00 0.00 N ATOM 2048 CA THR A 134 -1.990 -17.844 -4.390 1.00 0.00 C ATOM 2049 C THR A 134 -3.211 -18.678 -4.780 1.00 0.00 C ATOM 2050 O THR A 134 -3.547 -19.653 -4.109 1.00 0.00 O ATOM 2051 CB THR A 134 -0.882 -18.757 -3.859 1.00 0.00 C ATOM 2052 OG1 THR A 134 -0.836 -19.968 -4.593 1.00 0.00 O ATOM 2053 CG2 THR A 134 -1.045 -19.112 -2.397 1.00 0.00 C ATOM 0 H THR A 134 -2.718 -17.225 -2.524 1.00 0.00 H new ATOM 0 HA THR A 134 -1.628 -17.325 -5.277 1.00 0.00 H new ATOM 0 HB THR A 134 0.040 -18.188 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 134 -0.121 -20.538 -4.240 1.00 0.00 H new ATOM 0 HG21 THR A 134 -0.226 -19.761 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 134 -1.034 -18.201 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 134 -1.993 -19.630 -2.252 1.00 0.00 H new ATOM 2061 N PRO A 135 -3.894 -18.300 -5.876 1.00 0.00 N ATOM 2062 CA PRO A 135 -5.081 -19.019 -6.351 1.00 0.00 C ATOM 2063 C PRO A 135 -4.743 -20.407 -6.888 1.00 0.00 C ATOM 2064 O PRO A 135 -4.039 -20.539 -7.890 1.00 0.00 O ATOM 2065 CB PRO A 135 -5.613 -18.127 -7.476 1.00 0.00 C ATOM 2066 CG PRO A 135 -4.426 -17.362 -7.948 1.00 0.00 C ATOM 2067 CD PRO A 135 -3.564 -17.149 -6.737 1.00 0.00 C ATOM 0 HA PRO A 135 -5.799 -19.191 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -6.046 -18.721 -8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -6.396 -17.460 -7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -3.887 -17.914 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.724 -16.410 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -2.505 -17.131 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.788 -16.202 -6.246 1.00 0.00 H new ATOM 2075 N PRO A 136 -5.240 -21.468 -6.225 1.00 0.00 N ATOM 2076 CA PRO A 136 -4.985 -22.852 -6.643 1.00 0.00 C ATOM 2077 C PRO A 136 -5.391 -23.105 -8.091 1.00 0.00 C ATOM 2078 O PRO A 136 -6.550 -22.920 -8.462 1.00 0.00 O ATOM 2079 CB PRO A 136 -5.854 -23.682 -5.693 1.00 0.00 C ATOM 2080 CG PRO A 136 -6.056 -22.813 -4.501 1.00 0.00 C ATOM 2081 CD PRO A 136 -6.086 -21.403 -5.020 1.00 0.00 C ATOM 0 HA PRO A 136 -3.924 -23.099 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -6.805 -23.945 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -5.362 -24.616 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -6.986 -23.061 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -5.250 -22.947 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -7.101 -21.083 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -5.692 -20.697 -4.289 1.00 0.00 H new ATOM 2089 N ALA A 137 -4.428 -23.527 -8.904 1.00 0.00 N ATOM 2090 CA ALA A 137 -4.683 -23.806 -10.312 1.00 0.00 C ATOM 2091 C ALA A 137 -5.593 -25.018 -10.476 1.00 0.00 C ATOM 2092 O ALA A 137 -5.180 -26.154 -10.235 1.00 0.00 O ATOM 2093 CB ALA A 137 -3.373 -24.023 -11.053 1.00 0.00 C ATOM 0 H ALA A 137 -3.463 -23.683 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.191 -22.943 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.579 -24.230 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.758 -23.127 -10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -2.842 -24.868 -10.614 1.00 0.00 H new ATOM 2099 N SER A 138 -6.832 -24.771 -10.887 1.00 0.00 N ATOM 2100 CA SER A 138 -7.802 -25.843 -11.084 1.00 0.00 C ATOM 2101 C SER A 138 -8.784 -25.492 -12.196 1.00 0.00 C ATOM 2102 O SER A 138 -9.688 -26.267 -12.507 1.00 0.00 O ATOM 2103 CB SER A 138 -8.563 -26.115 -9.785 1.00 0.00 C ATOM 2104 OG SER A 138 -9.051 -27.445 -9.749 1.00 0.00 O ATOM 0 H SER A 138 -7.189 -23.837 -11.090 1.00 0.00 H new ATOM 0 HA SER A 138 -7.258 -26.742 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 138 -7.907 -25.942 -8.932 1.00 0.00 H new ATOM 0 HB3 SER A 138 -9.395 -25.416 -9.694 1.00 0.00 H new ATOM 0 HG SER A 138 -9.513 -27.647 -10.589 1.00 0.00 H new ATOM 2110 N GLU A 139 -8.599 -24.319 -12.793 1.00 0.00 N ATOM 2111 CA GLU A 139 -9.468 -23.863 -13.873 1.00 0.00 C ATOM 2112 C GLU A 139 -8.704 -23.789 -15.191 1.00 0.00 C ATOM 2113 O GLU A 139 -9.241 -24.114 -16.250 1.00 0.00 O ATOM 2114 CB GLU A 139 -10.061 -22.494 -13.535 1.00 0.00 C ATOM 2115 CG GLU A 139 -11.543 -22.379 -13.853 1.00 0.00 C ATOM 2116 CD GLU A 139 -12.181 -21.157 -13.221 1.00 0.00 C ATOM 2117 OE1 GLU A 139 -12.621 -21.254 -12.055 1.00 0.00 O ATOM 2118 OE2 GLU A 139 -12.240 -20.105 -13.891 1.00 0.00 O ATOM 0 H GLU A 139 -7.855 -23.666 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.278 -24.584 -13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.909 -22.293 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.519 -21.726 -14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.677 -22.336 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -12.057 -23.275 -13.503 1.00 0.00 H new ATOM 2125 N GLY A 140 -7.449 -23.357 -15.118 1.00 0.00 N ATOM 2126 CA GLY A 140 -6.631 -23.245 -16.312 1.00 0.00 C ATOM 2127 C GLY A 140 -6.303 -24.596 -16.917 1.00 0.00 C ATOM 2128 O GLY A 140 -6.044 -25.560 -16.196 1.00 0.00 O ATOM 0 H GLY A 140 -6.984 -23.082 -14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -7.153 -22.636 -17.051 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -5.705 -22.725 -16.067 1.00 0.00 H new ATOM 2132 N SER A 141 -6.316 -24.664 -18.246 1.00 0.00 N ATOM 2133 CA SER A 141 -6.019 -25.905 -18.955 1.00 0.00 C ATOM 2134 C SER A 141 -6.946 -27.029 -18.502 1.00 0.00 C ATOM 2135 O SER A 141 -6.551 -28.195 -18.460 1.00 0.00 O ATOM 2136 CB SER A 141 -4.559 -26.309 -18.733 1.00 0.00 C ATOM 2137 OG SER A 141 -3.675 -25.361 -19.305 1.00 0.00 O ATOM 0 H SER A 141 -6.529 -23.873 -18.854 1.00 0.00 H new ATOM 0 HA SER A 141 -6.183 -25.732 -20.019 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.361 -26.397 -17.665 1.00 0.00 H new ATOM 0 HB3 SER A 141 -4.379 -27.290 -19.172 1.00 0.00 H new ATOM 0 HG SER A 141 -2.749 -25.641 -19.148 1.00 0.00 H new ATOM 2143 N ALA A 142 -8.181 -26.670 -18.166 1.00 0.00 N ATOM 2144 CA ALA A 142 -9.166 -27.647 -17.716 1.00 0.00 C ATOM 2145 C ALA A 142 -10.507 -27.434 -18.410 1.00 0.00 C ATOM 2146 O ALA A 142 -11.041 -28.345 -19.044 1.00 0.00 O ATOM 2147 CB ALA A 142 -9.332 -27.572 -16.206 1.00 0.00 C ATOM 0 H ALA A 142 -8.523 -25.710 -18.197 1.00 0.00 H new ATOM 0 HA ALA A 142 -8.804 -28.640 -17.981 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -10.070 -28.307 -15.884 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -8.377 -27.782 -15.724 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -9.668 -26.574 -15.926 1.00 0.00 H new ATOM 2153 N GLU A 143 -11.045 -26.225 -18.287 1.00 0.00 N ATOM 2154 CA GLU A 143 -12.325 -25.891 -18.903 1.00 0.00 C ATOM 2155 C GLU A 143 -12.476 -24.381 -19.057 1.00 0.00 C ATOM 2156 O GLU A 143 -11.647 -23.642 -18.486 1.00 0.00 O ATOM 2157 CB GLU A 143 -13.478 -26.448 -18.066 1.00 0.00 C ATOM 2158 CG GLU A 143 -13.427 -26.034 -16.606 1.00 0.00 C ATOM 2159 CD GLU A 143 -14.806 -25.882 -15.994 1.00 0.00 C ATOM 2160 OE1 GLU A 143 -15.583 -26.859 -16.033 1.00 0.00 O ATOM 2161 OE2 GLU A 143 -15.109 -24.786 -15.477 1.00 0.00 O ATOM 2162 OXT GLU A 143 -13.422 -23.950 -19.749 1.00 0.00 O ATOM 0 H GLU A 143 -10.615 -25.460 -17.767 1.00 0.00 H new ATOM 0 HA GLU A 143 -12.353 -26.344 -19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -14.422 -26.114 -18.496 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -13.467 -27.536 -18.127 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -12.863 -26.776 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -12.889 -25.090 -16.518 1.00 0.00 H new TER 2169 GLU A 143