USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1051 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 63 MET CE :methyl -142:sc= -3.68! (180deg=-5.14!) USER MOD Set 1.2: A 151 THR OG1 : rot 40:sc= -0.562 USER MOD Set 2.1: A 132 HIS : no HD1:sc= -0.969! K(o=0.11!,f=-3.4) USER MOD Set 2.2: A 135 THR OG1 : rot -98:sc= 1.08 USER MOD Set 3.1: A 101 SER OG : rot 174:sc= -0.0175 USER MOD Set 3.2: A 103 LYS NZ :NH3+ -169:sc= 0.583 (180deg=0.106) USER MOD Set 4.1: A 93 MET CE :methyl 157:sc= -4.99! (180deg=-7.18!) USER MOD Set 4.2: A 110 MET CE :methyl -118:sc= -4.49! (180deg=-8.36!) USER MOD Set 5.1: A 41 GLN : amide:sc= -1.24 K(o=-0.26,f=-4.9) USER MOD Set 5.2: A 84 LYS NZ :NH3+ 174:sc= 0.977 (180deg=0) USER MOD Set 6.1: A 78 THR OG1 : rot 170:sc= 2.79 USER MOD Set 6.2: A 81 LYS NZ :NH3+ -110:sc= 1.89 (180deg=1.13) USER MOD Set 7.1: A 33 GLN : amide:sc= 0.129 K(o=0.57,f=-0.44) USER MOD Set 7.2: A 68 ASN : amide:sc= 0.442 K(o=0.57,f=-5.5!) USER MOD Set 8.1: A 67 HIS : no HD1:sc= 0.634 K(o=1.4,f=-0.82) USER MOD Set 8.2: A 111 THR OG1 : rot -112:sc= 0.796 USER MOD Set 9.1: A 45 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0) USER MOD Set 9.2: A 146 SER OG : rot -30:sc= 2.13 USER MOD Set10.1: A 35 SER OG : rot 100:sc= 0.233 USER MOD Set10.2: A 154 LYS NZ :NH3+ -150:sc= 0.983 (180deg=1.04) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.33) USER MOD Single : A 37 TYR OH : rot 60:sc= -0.0303 USER MOD Single : A 48 SER OG : rot -62:sc= 1.14 USER MOD Single : A 54 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 55 GLN : amide:sc= -3.43 X(o=-3.4,f=-2.9) USER MOD Single : A 57 THR OG1 : rot 179:sc= -2.08! USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.589 F(o=-1.9!,f=-0.59) USER MOD Single : A 65 SER OG : rot -30:sc= -1.45 USER MOD Single : A 72 ASN : amide:sc= -2.65! C(o=-2.6!,f=-10!) USER MOD Single : A 80 LYS NZ :NH3+ 141:sc= 0.086 (180deg=-1.71!) USER MOD Single : A 82 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.032) USER MOD Single : A 95 TYR OH : rot 133:sc= 0.06 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 124:sc= 1.25 USER MOD Single : A 109 ASN : amide:sc= -0.87 K(o=-0.87,f=-4.1!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc=-0.00812 USER MOD Single : A 118 GLN : amide:sc= -0.039 K(o=-0.039,f=-11!) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.05) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.88 F(o=-4.4!,f=-1.9) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 125:sc= 0.483 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 174:sc=-8.58e-05 (180deg=-0.0623) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 22 -4.742 -22.565 5.616 1.00 0.00 N ATOM 2 CA MET A 22 -4.138 -21.377 5.025 1.00 0.00 C ATOM 3 C MET A 22 -4.529 -20.160 5.802 1.00 0.00 C ATOM 4 O MET A 22 -5.715 -19.923 6.063 1.00 0.00 O ATOM 5 CB MET A 22 -4.515 -21.211 3.549 1.00 0.00 C ATOM 6 CG MET A 22 -3.868 -22.227 2.628 1.00 0.00 C ATOM 7 SD MET A 22 -2.068 -22.143 2.688 1.00 0.00 S ATOM 8 CE MET A 22 -1.630 -23.375 1.463 1.00 0.00 C ATOM 0 HA MET A 22 -3.056 -21.503 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.598 -21.285 3.451 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.233 -20.210 3.223 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.194 -23.229 2.908 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.205 -22.056 1.606 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.545 -23.440 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.031 -24.344 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.047 -23.092 0.497 1.00 0.00 H new ATOM 20 N ASP A 23 -3.537 -19.397 6.193 1.00 0.00 N ATOM 21 CA ASP A 23 -3.744 -18.199 6.989 1.00 0.00 C ATOM 22 C ASP A 23 -4.052 -17.065 6.061 1.00 0.00 C ATOM 23 O ASP A 23 -4.902 -16.213 6.328 1.00 0.00 O ATOM 24 CB ASP A 23 -2.494 -17.882 7.829 1.00 0.00 C ATOM 25 CG ASP A 23 -1.998 -19.076 8.627 1.00 0.00 C ATOM 26 OD1 ASP A 23 -2.686 -19.530 9.553 1.00 0.00 O ATOM 27 OD2 ASP A 23 -0.927 -19.629 8.291 1.00 0.00 O ATOM 0 H ASP A 23 -2.559 -19.585 5.971 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.574 -18.353 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.698 -17.536 7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.720 -17.063 8.512 1.00 0.00 H new ATOM 32 N CYS A 24 -3.364 -17.079 4.977 1.00 0.00 N ATOM 33 CA CYS A 24 -3.530 -16.142 3.922 1.00 0.00 C ATOM 34 C CYS A 24 -4.400 -16.751 2.813 1.00 0.00 C ATOM 35 O CYS A 24 -4.318 -17.958 2.562 1.00 0.00 O ATOM 36 CB CYS A 24 -2.168 -15.761 3.382 1.00 0.00 C ATOM 37 SG CYS A 24 -1.113 -14.890 4.582 1.00 0.00 S ATOM 0 H CYS A 24 -2.639 -17.772 4.792 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.030 -15.248 4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.655 -16.664 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.300 -15.129 2.504 1.00 0.00 H new ATOM 42 N PRO A 25 -5.269 -15.936 2.170 1.00 0.00 N ATOM 43 CA PRO A 25 -6.150 -16.377 1.061 1.00 0.00 C ATOM 44 C PRO A 25 -5.425 -17.146 -0.057 1.00 0.00 C ATOM 45 O PRO A 25 -5.837 -18.254 -0.425 1.00 0.00 O ATOM 46 CB PRO A 25 -6.666 -15.050 0.516 1.00 0.00 C ATOM 47 CG PRO A 25 -6.763 -14.198 1.716 1.00 0.00 C ATOM 48 CD PRO A 25 -5.533 -14.518 2.518 1.00 0.00 C ATOM 0 HA PRO A 25 -6.910 -17.075 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.984 -14.627 -0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.633 -15.166 0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.797 -13.142 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.670 -14.413 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.696 -13.874 2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.703 -14.389 3.587 1.00 0.00 H new ATOM 56 N SER A 26 -4.357 -16.581 -0.570 1.00 0.00 N ATOM 57 CA SER A 26 -3.625 -17.171 -1.671 1.00 0.00 C ATOM 58 C SER A 26 -2.110 -17.043 -1.407 1.00 0.00 C ATOM 59 O SER A 26 -1.713 -16.424 -0.420 1.00 0.00 O ATOM 60 CB SER A 26 -4.035 -16.468 -2.978 1.00 0.00 C ATOM 61 OG SER A 26 -5.455 -16.475 -3.139 1.00 0.00 O ATOM 0 H SER A 26 -3.969 -15.698 -0.237 1.00 0.00 H new ATOM 0 HA SER A 26 -3.860 -18.231 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.671 -15.441 -2.972 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.567 -16.967 -3.826 1.00 0.00 H new ATOM 0 HG SER A 26 -5.692 -16.022 -3.975 1.00 0.00 H new ATOM 67 N SER A 27 -1.282 -17.584 -2.294 1.00 0.00 N ATOM 68 CA SER A 27 0.170 -17.606 -2.107 1.00 0.00 C ATOM 69 C SER A 27 0.798 -16.231 -2.401 1.00 0.00 C ATOM 70 O SER A 27 1.889 -15.913 -1.915 1.00 0.00 O ATOM 71 CB SER A 27 0.803 -18.695 -2.992 1.00 0.00 C ATOM 72 OG SER A 27 2.193 -18.866 -2.704 1.00 0.00 O ATOM 0 H SER A 27 -1.594 -18.019 -3.162 1.00 0.00 H new ATOM 0 HA SER A 27 0.372 -17.841 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.280 -19.639 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.678 -18.429 -4.042 1.00 0.00 H new ATOM 0 HG SER A 27 2.563 -19.565 -3.282 1.00 0.00 H new ATOM 78 N THR A 28 0.099 -15.430 -3.183 1.00 0.00 N ATOM 79 CA THR A 28 0.509 -14.068 -3.522 1.00 0.00 C ATOM 80 C THR A 28 0.402 -13.136 -2.276 1.00 0.00 C ATOM 81 O THR A 28 0.821 -11.968 -2.294 1.00 0.00 O ATOM 82 CB THR A 28 -0.382 -13.567 -4.695 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.266 -14.508 -5.776 1.00 0.00 O ATOM 84 CG2 THR A 28 0.029 -12.188 -5.202 1.00 0.00 C ATOM 0 H THR A 28 -0.785 -15.706 -3.611 1.00 0.00 H new ATOM 0 HA THR A 28 1.553 -14.055 -3.836 1.00 0.00 H new ATOM 0 HB THR A 28 -1.405 -13.487 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.822 -14.213 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.627 -11.890 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.050 -11.464 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.059 -12.223 -5.558 1.00 0.00 H new ATOM 92 N TRP A 29 -0.128 -13.690 -1.209 1.00 0.00 N ATOM 93 CA TRP A 29 -0.274 -13.016 0.030 1.00 0.00 C ATOM 94 C TRP A 29 0.953 -13.274 0.888 1.00 0.00 C ATOM 95 O TRP A 29 1.378 -14.421 1.069 1.00 0.00 O ATOM 96 CB TRP A 29 -1.533 -13.492 0.726 1.00 0.00 C ATOM 97 CG TRP A 29 -2.793 -13.036 0.088 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.332 -13.474 -1.053 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.667 -12.066 0.586 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.487 -12.815 -1.323 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.715 -11.938 -0.321 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.655 -11.292 1.705 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.744 -11.057 -0.134 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.690 -10.401 1.905 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.720 -10.292 0.984 1.00 0.00 C ATOM 0 H TRP A 29 -0.474 -14.649 -1.195 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.363 -11.943 -0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.528 -14.582 0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.516 -13.145 1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.907 -14.247 -1.676 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.080 -12.957 -2.141 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.852 -11.373 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.547 -10.974 -0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.697 -9.781 2.790 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.517 -9.585 1.161 1.00 0.00 H new ATOM 116 N ILE A 30 1.514 -12.213 1.376 1.00 0.00 N ATOM 117 CA ILE A 30 2.732 -12.224 2.147 1.00 0.00 C ATOM 118 C ILE A 30 2.436 -12.003 3.612 1.00 0.00 C ATOM 119 O ILE A 30 1.904 -10.977 3.983 1.00 0.00 O ATOM 120 CB ILE A 30 3.658 -11.115 1.593 1.00 0.00 C ATOM 121 CG1 ILE A 30 3.982 -11.477 0.150 1.00 0.00 C ATOM 122 CG2 ILE A 30 4.929 -10.932 2.427 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.926 -10.563 -0.505 1.00 0.00 C ATOM 0 H ILE A 30 1.128 -11.278 1.248 1.00 0.00 H new ATOM 0 HA ILE A 30 3.224 -13.193 2.062 1.00 0.00 H new ATOM 0 HB ILE A 30 3.146 -10.154 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.394 -12.486 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.056 -11.497 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.540 -10.141 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.659 -10.661 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.495 -11.864 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.101 -10.893 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.510 -9.556 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.869 -10.560 0.042 1.00 0.00 H new ATOM 135 N GLN A 31 2.762 -12.956 4.440 1.00 0.00 N ATOM 136 CA GLN A 31 2.473 -12.827 5.840 1.00 0.00 C ATOM 137 C GLN A 31 3.646 -12.172 6.542 1.00 0.00 C ATOM 138 O GLN A 31 4.805 -12.526 6.299 1.00 0.00 O ATOM 139 CB GLN A 31 2.175 -14.177 6.470 1.00 0.00 C ATOM 140 CG GLN A 31 1.494 -14.068 7.820 1.00 0.00 C ATOM 141 CD GLN A 31 1.312 -15.398 8.488 1.00 0.00 C ATOM 142 OE1 GLN A 31 0.324 -16.089 8.259 1.00 0.00 O ATOM 143 NE2 GLN A 31 2.214 -15.739 9.356 1.00 0.00 N ATOM 0 H GLN A 31 3.225 -13.825 4.172 1.00 0.00 H new ATOM 0 HA GLN A 31 1.585 -12.204 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.541 -14.753 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.107 -14.731 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.083 -13.419 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.521 -13.594 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.021 -15.136 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.116 -16.610 9.878 1.00 0.00 H new ATOM 152 N PHE A 32 3.356 -11.222 7.377 1.00 0.00 N ATOM 153 CA PHE A 32 4.346 -10.514 8.112 1.00 0.00 C ATOM 154 C PHE A 32 3.810 -10.224 9.500 1.00 0.00 C ATOM 155 O PHE A 32 2.768 -9.559 9.647 1.00 0.00 O ATOM 156 CB PHE A 32 4.669 -9.247 7.353 1.00 0.00 C ATOM 157 CG PHE A 32 5.725 -8.377 7.932 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.058 -8.699 7.789 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.385 -7.215 8.571 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.037 -7.872 8.282 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.356 -6.374 9.060 1.00 0.00 C ATOM 162 CZ PHE A 32 7.690 -6.705 8.911 1.00 0.00 C ATOM 0 H PHE A 32 2.402 -10.914 7.567 1.00 0.00 H new ATOM 0 HA PHE A 32 5.261 -11.095 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.970 -9.522 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.755 -8.660 7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.335 -9.612 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.343 -6.957 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.078 -8.140 8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.078 -5.458 9.559 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.457 -6.045 9.289 1.00 0.00 H new ATOM 172 N GLN A 33 4.502 -10.757 10.499 1.00 0.00 N ATOM 173 CA GLN A 33 4.149 -10.655 11.922 1.00 0.00 C ATOM 174 C GLN A 33 2.812 -11.337 12.249 1.00 0.00 C ATOM 175 O GLN A 33 2.784 -12.492 12.694 1.00 0.00 O ATOM 176 CB GLN A 33 4.186 -9.211 12.437 1.00 0.00 C ATOM 177 CG GLN A 33 5.562 -8.570 12.374 1.00 0.00 C ATOM 178 CD GLN A 33 5.572 -7.166 12.942 1.00 0.00 C ATOM 179 OE1 GLN A 33 4.797 -6.841 13.832 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.468 -6.345 12.472 1.00 0.00 N ATOM 0 H GLN A 33 5.356 -11.293 10.342 1.00 0.00 H new ATOM 0 HA GLN A 33 4.924 -11.203 12.458 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.489 -8.610 11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.835 -9.195 13.469 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.273 -9.187 12.924 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.900 -8.542 11.338 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.098 -6.649 11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.539 -5.399 12.846 1.00 0.00 H new ATOM 189 N ASP A 34 1.728 -10.651 12.005 1.00 0.00 N ATOM 190 CA ASP A 34 0.400 -11.186 12.276 1.00 0.00 C ATOM 191 C ASP A 34 -0.583 -10.673 11.248 1.00 0.00 C ATOM 192 O ASP A 34 -1.781 -10.615 11.482 1.00 0.00 O ATOM 193 CB ASP A 34 -0.079 -10.823 13.699 1.00 0.00 C ATOM 194 CG ASP A 34 -0.234 -9.330 13.948 1.00 0.00 C ATOM 195 OD1 ASP A 34 0.783 -8.612 13.958 1.00 0.00 O ATOM 196 OD2 ASP A 34 -1.370 -8.845 14.158 1.00 0.00 O ATOM 0 H ASP A 34 1.729 -9.709 11.615 1.00 0.00 H new ATOM 0 HA ASP A 34 0.456 -12.273 12.212 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.036 -11.311 13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.629 -11.228 14.422 1.00 0.00 H new ATOM 201 N SER A 35 -0.088 -10.334 10.096 1.00 0.00 N ATOM 202 CA SER A 35 -0.934 -9.883 9.025 1.00 0.00 C ATOM 203 C SER A 35 -0.465 -10.423 7.717 1.00 0.00 C ATOM 204 O SER A 35 0.656 -10.901 7.607 1.00 0.00 O ATOM 205 CB SER A 35 -0.969 -8.382 8.944 1.00 0.00 C ATOM 206 OG SER A 35 -1.494 -7.816 10.130 1.00 0.00 O ATOM 0 H SER A 35 0.906 -10.361 9.870 1.00 0.00 H new ATOM 0 HA SER A 35 -1.938 -10.251 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.038 -8.001 8.771 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.576 -8.076 8.092 1.00 0.00 H new ATOM 0 HG SER A 35 -0.758 -7.501 10.696 1.00 0.00 H new ATOM 212 N CYS A 36 -1.313 -10.345 6.744 1.00 0.00 N ATOM 213 CA CYS A 36 -0.987 -10.775 5.433 1.00 0.00 C ATOM 214 C CYS A 36 -1.195 -9.634 4.495 1.00 0.00 C ATOM 215 O CYS A 36 -2.097 -8.812 4.672 1.00 0.00 O ATOM 216 CB CYS A 36 -1.792 -11.985 5.054 1.00 0.00 C ATOM 217 SG CYS A 36 -0.998 -13.016 3.819 1.00 0.00 S ATOM 0 H CYS A 36 -2.259 -9.977 6.843 1.00 0.00 H new ATOM 0 HA CYS A 36 0.059 -11.078 5.383 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.979 -12.581 5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.762 -11.662 4.677 1.00 0.00 H new ATOM 222 N TYR A 37 -0.310 -9.561 3.578 1.00 0.00 N ATOM 223 CA TYR A 37 -0.156 -8.469 2.691 1.00 0.00 C ATOM 224 C TYR A 37 -0.256 -8.862 1.247 1.00 0.00 C ATOM 225 O TYR A 37 0.209 -9.917 0.857 1.00 0.00 O ATOM 226 CB TYR A 37 1.214 -7.925 2.961 1.00 0.00 C ATOM 227 CG TYR A 37 1.333 -7.258 4.261 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.606 -7.983 5.347 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.163 -5.925 4.383 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.723 -7.441 6.574 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.271 -5.317 5.615 1.00 0.00 C ATOM 232 CZ TYR A 37 1.558 -6.096 6.718 1.00 0.00 C ATOM 233 OH TYR A 37 1.684 -5.525 7.951 1.00 0.00 O ATOM 0 H TYR A 37 0.368 -10.305 3.414 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.953 -7.745 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.936 -8.740 2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.477 -7.219 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.739 -9.049 5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.941 -5.330 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.944 -8.062 7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.134 -4.251 5.716 1.00 0.00 H new ATOM 0 HH TYR A 37 2.584 -5.694 8.299 1.00 0.00 H new ATOM 243 N ILE A 38 -0.878 -8.021 0.469 1.00 0.00 N ATOM 244 CA ILE A 38 -0.965 -8.214 -0.955 1.00 0.00 C ATOM 245 C ILE A 38 -1.057 -6.868 -1.667 1.00 0.00 C ATOM 246 O ILE A 38 -1.724 -5.958 -1.177 1.00 0.00 O ATOM 247 CB ILE A 38 -2.139 -9.136 -1.346 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.150 -9.397 -2.859 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.452 -8.556 -0.873 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.258 -10.309 -3.308 1.00 0.00 C ATOM 0 H ILE A 38 -1.342 -7.177 0.805 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.053 -8.716 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.003 -10.097 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.241 -8.445 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.194 -9.831 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.267 -9.221 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.433 -8.450 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.604 -7.578 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.201 -10.446 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.157 -11.275 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.220 -9.868 -3.049 1.00 0.00 H new ATOM 262 N PHE A 39 -0.337 -6.706 -2.758 1.00 0.00 N ATOM 263 CA PHE A 39 -0.469 -5.506 -3.542 1.00 0.00 C ATOM 264 C PHE A 39 -1.232 -5.866 -4.704 1.00 0.00 C ATOM 265 O PHE A 39 -0.879 -6.814 -5.403 1.00 0.00 O ATOM 266 CB PHE A 39 0.833 -5.002 -4.082 1.00 0.00 C ATOM 267 CG PHE A 39 0.856 -3.531 -4.323 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.679 -2.662 -3.288 1.00 0.00 C ATOM 269 CD2 PHE A 39 1.066 -3.022 -5.570 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.700 -1.305 -3.484 1.00 0.00 C ATOM 271 CE2 PHE A 39 1.093 -1.655 -5.774 1.00 0.00 C ATOM 272 CZ PHE A 39 0.906 -0.802 -4.732 1.00 0.00 C ATOM 0 H PHE A 39 0.336 -7.384 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.909 -4.741 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.629 -5.259 -3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.052 -5.517 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.519 -3.050 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.212 -3.692 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.553 -0.636 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.263 -1.263 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.921 0.266 -4.893 1.00 0.00 H new ATOM 282 N LEU A 40 -2.252 -5.198 -4.926 1.00 0.00 N ATOM 283 CA LEU A 40 -2.961 -5.421 -6.056 1.00 0.00 C ATOM 284 C LEU A 40 -3.069 -4.180 -6.829 1.00 0.00 C ATOM 285 O LEU A 40 -3.796 -3.263 -6.461 1.00 0.00 O ATOM 286 CB LEU A 40 -4.305 -6.183 -5.856 1.00 0.00 C ATOM 287 CG LEU A 40 -5.153 -5.973 -4.569 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.424 -6.449 -3.340 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.635 -4.539 -4.398 1.00 0.00 C ATOM 0 H LEU A 40 -2.620 -4.470 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.396 -6.136 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.943 -5.936 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.083 -7.248 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.045 -6.587 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.048 -6.286 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.204 -7.512 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.492 -5.894 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.220 -4.459 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.776 -3.871 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.254 -4.259 -5.250 1.00 0.00 H new ATOM 301 N GLN A 41 -2.226 -4.058 -7.803 1.00 0.00 N ATOM 302 CA GLN A 41 -2.381 -2.965 -8.694 1.00 0.00 C ATOM 303 C GLN A 41 -3.662 -3.138 -9.517 1.00 0.00 C ATOM 304 O GLN A 41 -3.710 -3.868 -10.518 1.00 0.00 O ATOM 305 CB GLN A 41 -1.133 -2.752 -9.553 1.00 0.00 C ATOM 306 CG GLN A 41 0.017 -2.284 -8.698 1.00 0.00 C ATOM 307 CD GLN A 41 1.282 -1.916 -9.430 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.253 -1.499 -10.584 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.419 -2.007 -8.752 1.00 0.00 N ATOM 0 H GLN A 41 -1.445 -4.685 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.491 -2.048 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.866 -3.682 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.340 -2.017 -10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.312 -1.417 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.252 -3.070 -7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.415 -2.357 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.297 -1.727 -9.189 1.00 0.00 H new ATOM 318 N GLU A 42 -4.702 -2.516 -9.006 1.00 0.00 N ATOM 319 CA GLU A 42 -6.016 -2.438 -9.591 1.00 0.00 C ATOM 320 C GLU A 42 -6.304 -0.992 -9.948 1.00 0.00 C ATOM 321 O GLU A 42 -6.416 -0.141 -9.061 1.00 0.00 O ATOM 322 CB GLU A 42 -7.057 -2.908 -8.575 1.00 0.00 C ATOM 323 CG GLU A 42 -7.022 -4.406 -8.245 1.00 0.00 C ATOM 324 CD GLU A 42 -7.575 -5.251 -9.366 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.806 -5.414 -9.432 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.802 -5.755 -10.206 1.00 0.00 O ATOM 0 H GLU A 42 -4.645 -2.022 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.060 -3.067 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.919 -2.346 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.048 -2.659 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.995 -4.707 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.596 -4.590 -7.337 1.00 0.00 H new ATOM 333 N ALA A 43 -6.398 -0.703 -11.208 1.00 0.00 N ATOM 334 CA ALA A 43 -6.731 0.638 -11.634 1.00 0.00 C ATOM 335 C ALA A 43 -8.230 0.772 -11.563 1.00 0.00 C ATOM 336 O ALA A 43 -8.960 0.080 -12.287 1.00 0.00 O ATOM 337 CB ALA A 43 -6.243 0.877 -13.056 1.00 0.00 C ATOM 0 H ALA A 43 -6.251 -1.370 -11.966 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.250 1.376 -10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.501 1.890 -13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.161 0.750 -13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.717 0.162 -13.728 1.00 0.00 H new ATOM 343 N ILE A 44 -8.695 1.630 -10.709 1.00 0.00 N ATOM 344 CA ILE A 44 -10.122 1.776 -10.471 1.00 0.00 C ATOM 345 C ILE A 44 -10.457 3.222 -10.238 1.00 0.00 C ATOM 346 O ILE A 44 -9.578 4.025 -9.891 1.00 0.00 O ATOM 347 CB ILE A 44 -10.672 0.967 -9.248 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.164 1.532 -7.933 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.345 -0.521 -9.341 1.00 0.00 C ATOM 350 CD1 ILE A 44 -10.908 0.993 -6.750 1.00 0.00 C ATOM 0 H ILE A 44 -8.110 2.253 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.595 1.375 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.757 1.071 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.104 1.301 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.253 2.618 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.748 -1.037 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.789 -0.935 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.264 -0.655 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.504 1.430 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.964 1.247 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.797 -0.091 -6.714 1.00 0.00 H new ATOM 362 N LYS A 45 -11.686 3.568 -10.484 1.00 0.00 N ATOM 363 CA LYS A 45 -12.169 4.866 -10.222 1.00 0.00 C ATOM 364 C LYS A 45 -12.212 5.082 -8.711 1.00 0.00 C ATOM 365 O LYS A 45 -13.014 4.470 -7.996 1.00 0.00 O ATOM 366 CB LYS A 45 -13.559 5.041 -10.826 1.00 0.00 C ATOM 367 CG LYS A 45 -14.129 6.423 -10.649 1.00 0.00 C ATOM 368 CD LYS A 45 -13.238 7.448 -11.304 1.00 0.00 C ATOM 369 CE LYS A 45 -13.804 8.821 -11.170 1.00 0.00 C ATOM 370 NZ LYS A 45 -12.883 9.854 -11.656 1.00 0.00 N ATOM 0 H LYS A 45 -12.382 2.936 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.507 5.604 -10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.514 4.810 -11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.236 4.318 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.128 6.470 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.232 6.647 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.247 7.415 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.114 7.205 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.740 8.881 -11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.042 9.013 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.392 10.756 -11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.100 9.966 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.504 9.573 -12.583 1.00 0.00 H new ATOM 384 N VAL A 46 -11.323 5.895 -8.239 1.00 0.00 N ATOM 385 CA VAL A 46 -11.243 6.205 -6.852 1.00 0.00 C ATOM 386 C VAL A 46 -11.808 7.563 -6.630 1.00 0.00 C ATOM 387 O VAL A 46 -11.336 8.547 -7.175 1.00 0.00 O ATOM 388 CB VAL A 46 -9.800 6.142 -6.323 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.746 6.398 -4.827 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.197 4.810 -6.658 1.00 0.00 C ATOM 0 H VAL A 46 -10.625 6.367 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.816 5.458 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.220 6.928 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.712 6.346 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.150 7.387 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.338 5.644 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.175 4.768 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.786 4.018 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.191 4.675 -7.740 1.00 0.00 H new ATOM 400 N GLU A 47 -12.844 7.591 -5.904 1.00 0.00 N ATOM 401 CA GLU A 47 -13.512 8.798 -5.576 1.00 0.00 C ATOM 402 C GLU A 47 -13.130 9.230 -4.184 1.00 0.00 C ATOM 403 O GLU A 47 -13.032 10.417 -3.881 1.00 0.00 O ATOM 404 CB GLU A 47 -14.985 8.560 -5.679 1.00 0.00 C ATOM 405 CG GLU A 47 -15.450 8.339 -7.053 1.00 0.00 C ATOM 406 CD GLU A 47 -15.383 9.580 -7.914 1.00 0.00 C ATOM 407 OE1 GLU A 47 -14.287 9.980 -8.320 1.00 0.00 O ATOM 408 OE2 GLU A 47 -16.437 10.176 -8.196 1.00 0.00 O ATOM 0 H GLU A 47 -13.273 6.757 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.226 9.595 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.248 7.694 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.513 9.416 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.848 7.554 -7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.478 7.978 -7.028 1.00 0.00 H new ATOM 415 N SER A 48 -12.886 8.264 -3.371 1.00 0.00 N ATOM 416 CA SER A 48 -12.501 8.446 -2.022 1.00 0.00 C ATOM 417 C SER A 48 -11.516 7.407 -1.693 1.00 0.00 C ATOM 418 O SER A 48 -11.431 6.419 -2.398 1.00 0.00 O ATOM 419 CB SER A 48 -13.696 8.282 -1.113 1.00 0.00 C ATOM 420 OG SER A 48 -14.588 9.383 -1.209 1.00 0.00 O ATOM 0 H SER A 48 -12.953 7.283 -3.643 1.00 0.00 H new ATOM 0 HA SER A 48 -12.086 9.445 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.224 7.363 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.357 8.178 -0.082 1.00 0.00 H new ATOM 0 HG SER A 48 -14.131 10.201 -0.921 1.00 0.00 H new ATOM 426 N ILE A 49 -10.791 7.568 -0.616 1.00 0.00 N ATOM 427 CA ILE A 49 -9.845 6.579 -0.240 1.00 0.00 C ATOM 428 C ILE A 49 -10.587 5.294 0.149 1.00 0.00 C ATOM 429 O ILE A 49 -10.087 4.202 0.042 1.00 0.00 O ATOM 430 CB ILE A 49 -8.944 7.064 0.875 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.848 6.083 1.106 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.732 7.250 2.105 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.770 6.588 2.058 1.00 0.00 C ATOM 0 H ILE A 49 -10.845 8.375 0.006 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.195 6.369 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.502 8.019 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.273 5.163 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.389 5.832 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.080 7.599 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.515 7.987 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.185 6.302 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.004 5.822 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.318 7.492 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.216 6.812 3.027 1.00 0.00 H new ATOM 445 N GLU A 50 -11.801 5.479 0.528 1.00 0.00 N ATOM 446 CA GLU A 50 -12.739 4.404 0.799 1.00 0.00 C ATOM 447 C GLU A 50 -12.909 3.525 -0.475 1.00 0.00 C ATOM 448 O GLU A 50 -13.119 2.337 -0.386 1.00 0.00 O ATOM 449 CB GLU A 50 -14.091 4.969 1.189 1.00 0.00 C ATOM 450 CG GLU A 50 -14.080 5.933 2.362 1.00 0.00 C ATOM 451 CD GLU A 50 -13.659 5.305 3.666 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.343 4.361 4.132 1.00 0.00 O ATOM 453 OE2 GLU A 50 -12.667 5.756 4.255 1.00 0.00 O ATOM 0 H GLU A 50 -12.200 6.407 0.668 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.349 3.802 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.515 5.480 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.757 4.140 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.407 6.759 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.077 6.358 2.480 1.00 0.00 H new ATOM 460 N ASP A 51 -12.745 4.125 -1.640 1.00 0.00 N ATOM 461 CA ASP A 51 -12.856 3.440 -2.902 1.00 0.00 C ATOM 462 C ASP A 51 -11.659 2.586 -3.167 1.00 0.00 C ATOM 463 O ASP A 51 -11.760 1.523 -3.747 1.00 0.00 O ATOM 464 CB ASP A 51 -12.990 4.438 -4.032 1.00 0.00 C ATOM 465 CG ASP A 51 -14.369 5.017 -4.173 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.711 5.955 -3.433 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.137 4.538 -5.027 1.00 0.00 O ATOM 0 H ASP A 51 -12.528 5.117 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.742 2.808 -2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.280 5.250 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.713 3.952 -4.968 1.00 0.00 H new ATOM 472 N VAL A 52 -10.535 3.032 -2.706 1.00 0.00 N ATOM 473 CA VAL A 52 -9.302 2.367 -2.964 1.00 0.00 C ATOM 474 C VAL A 52 -9.063 1.337 -1.908 1.00 0.00 C ATOM 475 O VAL A 52 -8.540 0.274 -2.155 1.00 0.00 O ATOM 476 CB VAL A 52 -8.126 3.364 -3.117 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.210 4.478 -2.163 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.786 2.667 -3.120 1.00 0.00 C ATOM 0 H VAL A 52 -10.448 3.874 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.367 1.855 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.220 3.822 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.363 5.148 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.139 5.025 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.190 4.088 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.992 3.406 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.654 2.129 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.744 1.963 -3.951 1.00 0.00 H new ATOM 488 N ARG A 53 -9.537 1.632 -0.739 1.00 0.00 N ATOM 489 CA ARG A 53 -9.451 0.746 0.346 1.00 0.00 C ATOM 490 C ARG A 53 -10.373 -0.472 0.072 1.00 0.00 C ATOM 491 O ARG A 53 -10.171 -1.566 0.609 1.00 0.00 O ATOM 492 CB ARG A 53 -9.761 1.553 1.647 1.00 0.00 C ATOM 493 CG ARG A 53 -11.129 1.997 1.852 1.00 0.00 C ATOM 494 CD ARG A 53 -11.995 0.883 2.271 1.00 0.00 C ATOM 495 NE ARG A 53 -12.054 0.691 3.729 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.171 0.334 4.391 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.318 0.198 3.740 1.00 0.00 N ATOM 498 NH2 ARG A 53 -13.138 0.123 5.690 1.00 0.00 N ATOM 0 H ARG A 53 -10.000 2.514 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.456 0.323 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.476 0.938 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.117 2.432 1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.150 2.781 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.514 2.433 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.003 1.058 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.638 -0.037 1.807 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.201 0.837 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.356 0.364 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.162 -0.073 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.262 0.230 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.988 -0.147 6.185 1.00 0.00 H new ATOM 512 N ASN A 54 -11.346 -0.248 -0.836 1.00 0.00 N ATOM 513 CA ASN A 54 -12.312 -1.265 -1.300 1.00 0.00 C ATOM 514 C ASN A 54 -11.612 -2.371 -2.010 1.00 0.00 C ATOM 515 O ASN A 54 -12.127 -3.473 -2.122 1.00 0.00 O ATOM 516 CB ASN A 54 -13.315 -0.693 -2.290 1.00 0.00 C ATOM 517 CG ASN A 54 -14.485 0.038 -1.688 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.897 -0.229 -0.560 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.062 0.928 -2.455 1.00 0.00 N ATOM 0 H ASN A 54 -11.484 0.662 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.823 -1.619 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.789 -0.011 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.697 -1.509 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.886 1.430 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.688 1.120 -3.384 1.00 0.00 H new ATOM 526 N GLN A 55 -10.459 -2.052 -2.540 1.00 0.00 N ATOM 527 CA GLN A 55 -9.636 -3.013 -3.250 1.00 0.00 C ATOM 528 C GLN A 55 -9.169 -4.072 -2.288 1.00 0.00 C ATOM 529 O GLN A 55 -9.160 -5.252 -2.598 1.00 0.00 O ATOM 530 CB GLN A 55 -8.437 -2.327 -3.888 1.00 0.00 C ATOM 531 CG GLN A 55 -8.814 -1.219 -4.841 1.00 0.00 C ATOM 532 CD GLN A 55 -7.612 -0.506 -5.451 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.548 -1.078 -5.633 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.789 0.753 -5.769 1.00 0.00 N ATOM 0 H GLN A 55 -10.058 -1.115 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.229 -3.470 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.801 -1.919 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.845 -3.070 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.426 -1.632 -5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.429 -0.490 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.691 1.199 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.025 1.287 -6.183 1.00 0.00 H new ATOM 543 N CYS A 56 -8.841 -3.653 -1.099 1.00 0.00 N ATOM 544 CA CYS A 56 -8.375 -4.545 -0.116 1.00 0.00 C ATOM 545 C CYS A 56 -9.497 -5.258 0.559 1.00 0.00 C ATOM 546 O CYS A 56 -9.431 -6.475 0.760 1.00 0.00 O ATOM 547 CB CYS A 56 -7.538 -3.819 0.880 1.00 0.00 C ATOM 548 SG CYS A 56 -6.113 -3.030 0.152 1.00 0.00 S ATOM 0 H CYS A 56 -8.895 -2.680 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.763 -5.299 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.148 -3.066 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.206 -4.519 1.647 1.00 0.00 H new ATOM 553 N THR A 57 -10.556 -4.535 0.856 1.00 0.00 N ATOM 554 CA THR A 57 -11.703 -5.098 1.543 1.00 0.00 C ATOM 555 C THR A 57 -12.395 -6.116 0.670 1.00 0.00 C ATOM 556 O THR A 57 -13.078 -7.011 1.144 1.00 0.00 O ATOM 557 CB THR A 57 -12.661 -3.997 1.994 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.087 -3.233 0.864 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.956 -3.077 2.967 1.00 0.00 C ATOM 0 H THR A 57 -10.648 -3.545 0.630 1.00 0.00 H new ATOM 0 HA THR A 57 -11.354 -5.612 2.439 1.00 0.00 H new ATOM 0 HB THR A 57 -13.525 -4.455 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 57 -13.715 -2.539 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.641 -2.292 3.287 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.627 -3.648 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.091 -2.627 2.480 1.00 0.00 H new ATOM 567 N ASP A 58 -12.122 -6.013 -0.610 1.00 0.00 N ATOM 568 CA ASP A 58 -12.614 -6.952 -1.615 1.00 0.00 C ATOM 569 C ASP A 58 -12.002 -8.328 -1.380 1.00 0.00 C ATOM 570 O ASP A 58 -12.568 -9.343 -1.736 1.00 0.00 O ATOM 571 CB ASP A 58 -12.251 -6.448 -3.019 1.00 0.00 C ATOM 572 CG ASP A 58 -12.661 -7.385 -4.127 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.870 -7.524 -4.404 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.772 -7.977 -4.769 1.00 0.00 O ATOM 0 H ASP A 58 -11.544 -5.267 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.698 -7.028 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.725 -5.480 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.174 -6.289 -3.070 1.00 0.00 H new ATOM 579 N HIS A 59 -10.857 -8.343 -0.720 1.00 0.00 N ATOM 580 CA HIS A 59 -10.148 -9.572 -0.440 1.00 0.00 C ATOM 581 C HIS A 59 -10.246 -9.903 1.030 1.00 0.00 C ATOM 582 O HIS A 59 -9.534 -10.780 1.518 1.00 0.00 O ATOM 583 CB HIS A 59 -8.657 -9.491 -0.794 1.00 0.00 C ATOM 584 CG HIS A 59 -8.293 -9.237 -2.232 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.272 -8.097 -2.934 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -7.813 -10.206 -3.088 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.792 -8.376 -4.177 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.520 -9.652 -4.249 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.397 -7.505 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.616 -10.339 -1.057 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.211 -8.700 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.189 -10.427 -0.490 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.564 -7.180 -2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.696 -11.252 -2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.658 -7.659 -4.974 1.00 0.00 H new ATOM 597 N GLY A 60 -11.111 -9.212 1.737 1.00 0.00 N ATOM 598 CA GLY A 60 -11.219 -9.430 3.159 1.00 0.00 C ATOM 599 C GLY A 60 -10.060 -8.805 3.894 1.00 0.00 C ATOM 600 O GLY A 60 -9.721 -9.188 5.023 1.00 0.00 O ATOM 0 H GLY A 60 -11.741 -8.505 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.155 -9.008 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.250 -10.500 3.365 1.00 0.00 H new ATOM 604 N ALA A 61 -9.456 -7.847 3.264 1.00 0.00 N ATOM 605 CA ALA A 61 -8.316 -7.167 3.823 1.00 0.00 C ATOM 606 C ALA A 61 -8.635 -5.697 3.996 1.00 0.00 C ATOM 607 O ALA A 61 -9.732 -5.273 3.706 1.00 0.00 O ATOM 608 CB ALA A 61 -7.100 -7.364 2.918 1.00 0.00 C ATOM 0 H ALA A 61 -9.736 -7.509 2.343 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.082 -7.585 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.241 -6.848 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.878 -8.428 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.313 -6.957 1.929 1.00 0.00 H new ATOM 614 N ASP A 62 -7.714 -4.958 4.489 1.00 0.00 N ATOM 615 CA ASP A 62 -7.827 -3.521 4.639 1.00 0.00 C ATOM 616 C ASP A 62 -6.561 -2.910 4.114 1.00 0.00 C ATOM 617 O ASP A 62 -5.646 -3.642 3.758 1.00 0.00 O ATOM 618 CB ASP A 62 -8.125 -3.097 6.100 1.00 0.00 C ATOM 619 CG ASP A 62 -7.251 -3.767 7.144 1.00 0.00 C ATOM 620 OD1 ASP A 62 -6.109 -3.371 7.329 1.00 0.00 O ATOM 621 OD2 ASP A 62 -7.747 -4.715 7.826 1.00 0.00 O ATOM 0 H ASP A 62 -6.823 -5.330 4.816 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.680 -3.157 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.004 -2.017 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.169 -3.318 6.323 1.00 0.00 H new ATOM 626 N MET A 63 -6.514 -1.612 3.938 1.00 0.00 N ATOM 627 CA MET A 63 -5.287 -1.020 3.432 1.00 0.00 C ATOM 628 C MET A 63 -4.200 -1.024 4.488 1.00 0.00 C ATOM 629 O MET A 63 -4.463 -0.810 5.673 1.00 0.00 O ATOM 630 CB MET A 63 -5.476 0.386 2.858 1.00 0.00 C ATOM 631 CG MET A 63 -6.251 0.458 1.564 1.00 0.00 C ATOM 632 SD MET A 63 -6.504 2.161 0.984 1.00 0.00 S ATOM 633 CE MET A 63 -4.821 2.722 0.656 1.00 0.00 C ATOM 0 H MET A 63 -7.276 -0.961 4.127 1.00 0.00 H new ATOM 0 HA MET A 63 -4.976 -1.652 2.600 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.986 0.998 3.602 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.493 0.830 2.699 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.721 -0.106 0.797 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.220 -0.022 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.721 3.766 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.117 2.114 1.225 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.606 2.626 -0.408 1.00 0.00 H new ATOM 643 N ILE A 64 -3.002 -1.274 4.014 1.00 0.00 N ATOM 644 CA ILE A 64 -1.752 -1.353 4.782 1.00 0.00 C ATOM 645 C ILE A 64 -1.649 -0.369 5.981 1.00 0.00 C ATOM 646 O ILE A 64 -1.921 0.809 5.862 1.00 0.00 O ATOM 647 CB ILE A 64 -0.562 -1.114 3.829 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.690 -0.801 4.621 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.880 -0.033 2.793 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.842 -0.343 3.803 1.00 0.00 C ATOM 0 H ILE A 64 -2.850 -1.440 3.019 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.736 -2.351 5.220 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.378 -2.030 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.456 -0.032 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.986 -1.692 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.020 0.109 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.741 -0.340 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.107 0.904 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.693 -0.142 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.109 -1.118 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.570 0.568 3.270 1.00 0.00 H new ATOM 662 N SER A 65 -1.189 -0.860 7.104 1.00 0.00 N ATOM 663 CA SER A 65 -1.080 -0.053 8.281 1.00 0.00 C ATOM 664 C SER A 65 0.214 -0.361 9.047 1.00 0.00 C ATOM 665 O SER A 65 0.438 -1.487 9.490 1.00 0.00 O ATOM 666 CB SER A 65 -2.306 -0.242 9.143 1.00 0.00 C ATOM 667 OG SER A 65 -3.490 0.168 8.442 1.00 0.00 O ATOM 0 H SER A 65 -0.882 -1.826 7.223 1.00 0.00 H new ATOM 0 HA SER A 65 -1.027 0.996 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.394 -1.289 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.203 0.336 10.061 1.00 0.00 H new ATOM 0 HG SER A 65 -3.266 0.884 7.812 1.00 0.00 H new ATOM 673 N ILE A 66 1.004 0.674 9.245 1.00 0.00 N ATOM 674 CA ILE A 66 2.344 0.578 9.799 1.00 0.00 C ATOM 675 C ILE A 66 2.399 0.935 11.264 1.00 0.00 C ATOM 676 O ILE A 66 1.907 1.974 11.702 1.00 0.00 O ATOM 677 CB ILE A 66 3.295 1.489 8.998 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.283 1.037 7.525 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.692 1.497 9.601 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.132 1.834 6.579 1.00 0.00 C ATOM 0 H ILE A 66 0.728 1.630 9.021 1.00 0.00 H new ATOM 0 HA ILE A 66 2.657 -0.463 9.717 1.00 0.00 H new ATOM 0 HB ILE A 66 2.950 2.522 9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.608 -0.003 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.254 1.064 7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.338 2.149 9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.644 1.863 10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.096 0.485 9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.042 1.422 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.798 2.872 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.173 1.788 6.898 1.00 0.00 H new ATOM 692 N HIS A 67 2.970 0.047 12.026 1.00 0.00 N ATOM 693 CA HIS A 67 3.155 0.261 13.435 1.00 0.00 C ATOM 694 C HIS A 67 4.627 0.132 13.792 1.00 0.00 C ATOM 695 O HIS A 67 4.988 0.132 14.960 1.00 0.00 O ATOM 696 CB HIS A 67 2.304 -0.715 14.265 1.00 0.00 C ATOM 697 CG HIS A 67 0.820 -0.591 14.031 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.041 -0.034 14.935 1.00 0.00 N ATOM 699 CD2 HIS A 67 0.057 -0.959 12.978 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.259 -0.058 14.454 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.233 -0.623 13.264 1.00 0.00 N ATOM 0 H HIS A 67 3.322 -0.849 11.688 1.00 0.00 H new ATOM 0 HA HIS A 67 2.822 1.271 13.675 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.613 -1.735 14.036 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.509 -0.550 15.323 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.406 -1.434 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.139 0.322 14.951 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.040 -0.782 12.660 1.00 0.00 H new ATOM 710 N ASN A 68 5.487 0.050 12.769 1.00 0.00 N ATOM 711 CA ASN A 68 6.943 -0.050 12.961 1.00 0.00 C ATOM 712 C ASN A 68 7.648 0.109 11.687 1.00 0.00 C ATOM 713 O ASN A 68 7.061 -0.041 10.629 1.00 0.00 O ATOM 714 CB ASN A 68 7.426 -1.366 13.614 1.00 0.00 C ATOM 715 CG ASN A 68 6.583 -2.591 13.306 1.00 0.00 C ATOM 716 OD1 ASN A 68 6.805 -3.271 12.320 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.638 -2.893 14.162 1.00 0.00 N ATOM 0 H ASN A 68 5.198 0.051 11.791 1.00 0.00 H new ATOM 0 HA ASN A 68 7.177 0.758 13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.449 -1.559 13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.454 -1.227 14.695 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.060 -3.720 14.013 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.480 -2.301 14.977 1.00 0.00 H new ATOM 724 N GLU A 69 8.929 0.393 11.771 1.00 0.00 N ATOM 725 CA GLU A 69 9.722 0.523 10.611 1.00 0.00 C ATOM 726 C GLU A 69 9.938 -0.815 10.000 1.00 0.00 C ATOM 727 O GLU A 69 10.260 -0.901 8.835 1.00 0.00 O ATOM 728 CB GLU A 69 11.045 1.179 10.895 1.00 0.00 C ATOM 729 CG GLU A 69 11.964 0.407 11.789 1.00 0.00 C ATOM 730 CD GLU A 69 13.259 1.128 12.019 1.00 0.00 C ATOM 731 OE1 GLU A 69 14.166 1.000 11.173 1.00 0.00 O ATOM 732 OE2 GLU A 69 13.391 1.849 13.038 1.00 0.00 O ATOM 0 H GLU A 69 9.430 0.536 12.648 1.00 0.00 H new ATOM 0 HA GLU A 69 9.185 1.168 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.553 1.359 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.859 2.153 11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.474 0.228 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.166 -0.569 11.347 1.00 0.00 H new ATOM 739 N GLU A 70 9.731 -1.877 10.789 1.00 0.00 N ATOM 740 CA GLU A 70 9.847 -3.173 10.281 1.00 0.00 C ATOM 741 C GLU A 70 8.783 -3.371 9.231 1.00 0.00 C ATOM 742 O GLU A 70 9.071 -3.873 8.162 1.00 0.00 O ATOM 743 CB GLU A 70 9.689 -4.146 11.397 1.00 0.00 C ATOM 744 CG GLU A 70 10.955 -4.845 11.819 1.00 0.00 C ATOM 745 CD GLU A 70 11.536 -5.712 10.736 1.00 0.00 C ATOM 746 OE1 GLU A 70 11.149 -6.883 10.628 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.419 -5.252 9.993 1.00 0.00 O ATOM 0 H GLU A 70 9.484 -1.823 11.777 1.00 0.00 H new ATOM 0 HA GLU A 70 10.825 -3.329 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.277 -3.622 12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.958 -4.899 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.693 -4.100 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.750 -5.458 12.697 1.00 0.00 H new ATOM 754 N GLU A 71 7.559 -2.928 9.559 1.00 0.00 N ATOM 755 CA GLU A 71 6.425 -2.935 8.637 1.00 0.00 C ATOM 756 C GLU A 71 6.791 -2.062 7.462 1.00 0.00 C ATOM 757 O GLU A 71 6.878 -2.520 6.361 1.00 0.00 O ATOM 758 CB GLU A 71 5.199 -2.282 9.291 1.00 0.00 C ATOM 759 CG GLU A 71 3.837 -2.856 8.924 1.00 0.00 C ATOM 760 CD GLU A 71 3.622 -3.161 7.553 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.970 -4.285 7.164 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.983 -2.348 6.885 1.00 0.00 O ATOM 0 H GLU A 71 7.332 -2.553 10.480 1.00 0.00 H new ATOM 0 HA GLU A 71 6.201 -3.963 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.315 -2.349 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.201 -1.223 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.684 -3.767 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.072 -2.146 9.239 1.00 0.00 H new ATOM 769 N ASN A 72 7.124 -0.809 7.766 1.00 0.00 N ATOM 770 CA ASN A 72 7.346 0.218 6.772 1.00 0.00 C ATOM 771 C ASN A 72 8.344 -0.227 5.732 1.00 0.00 C ATOM 772 O ASN A 72 8.066 -0.253 4.532 1.00 0.00 O ATOM 773 CB ASN A 72 7.858 1.490 7.450 1.00 0.00 C ATOM 774 CG ASN A 72 8.124 2.587 6.461 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.262 3.345 6.161 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.321 2.670 5.965 1.00 0.00 N ATOM 0 H ASN A 72 7.247 -0.483 8.725 1.00 0.00 H new ATOM 0 HA ASN A 72 6.396 0.414 6.275 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.125 1.831 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.774 1.266 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.545 3.405 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.037 2.000 6.246 1.00 0.00 H new ATOM 783 N ALA A 73 9.480 -0.620 6.211 1.00 0.00 N ATOM 784 CA ALA A 73 10.562 -1.013 5.376 1.00 0.00 C ATOM 785 C ALA A 73 10.328 -2.409 4.736 1.00 0.00 C ATOM 786 O ALA A 73 10.932 -2.736 3.716 1.00 0.00 O ATOM 787 CB ALA A 73 11.839 -0.912 6.169 1.00 0.00 C ATOM 0 H ALA A 73 9.682 -0.677 7.209 1.00 0.00 H new ATOM 0 HA ALA A 73 10.640 -0.338 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.680 -1.210 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.980 0.116 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.781 -1.569 7.037 1.00 0.00 H new ATOM 793 N PHE A 74 9.433 -3.202 5.324 1.00 0.00 N ATOM 794 CA PHE A 74 8.992 -4.493 4.748 1.00 0.00 C ATOM 795 C PHE A 74 8.222 -4.228 3.498 1.00 0.00 C ATOM 796 O PHE A 74 8.496 -4.765 2.462 1.00 0.00 O ATOM 797 CB PHE A 74 8.033 -5.200 5.712 1.00 0.00 C ATOM 798 CG PHE A 74 7.144 -6.206 5.163 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.580 -7.429 4.711 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.848 -5.915 5.123 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.668 -8.330 4.216 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.959 -6.756 4.656 1.00 0.00 C ATOM 803 CZ PHE A 74 5.335 -7.984 4.189 1.00 0.00 C ATOM 0 H PHE A 74 8.987 -2.977 6.213 1.00 0.00 H new ATOM 0 HA PHE A 74 9.873 -5.107 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.630 -5.671 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.420 -4.438 6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.630 -7.679 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.517 -4.954 5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.991 -9.295 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.916 -6.476 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.598 -8.673 3.804 1.00 0.00 H new ATOM 813 N ILE A 75 7.282 -3.349 3.632 1.00 0.00 N ATOM 814 CA ILE A 75 6.311 -3.003 2.605 1.00 0.00 C ATOM 815 C ILE A 75 7.051 -2.509 1.462 1.00 0.00 C ATOM 816 O ILE A 75 6.843 -2.898 0.322 1.00 0.00 O ATOM 817 CB ILE A 75 5.419 -1.884 3.147 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.727 -2.352 4.416 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.441 -1.428 2.121 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.780 -3.465 4.220 1.00 0.00 C ATOM 0 H ILE A 75 7.151 -2.820 4.494 1.00 0.00 H new ATOM 0 HA ILE A 75 5.699 -3.861 2.327 1.00 0.00 H new ATOM 0 HB ILE A 75 6.041 -1.023 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.485 -2.659 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.193 -1.510 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.822 -0.633 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.977 -1.053 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.807 -2.264 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.332 -3.735 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.997 -3.159 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.310 -4.326 3.812 1.00 0.00 H new ATOM 832 N LEU A 76 7.990 -1.761 1.822 1.00 0.00 N ATOM 833 CA LEU A 76 8.867 -1.127 0.988 1.00 0.00 C ATOM 834 C LEU A 76 9.605 -2.101 0.088 1.00 0.00 C ATOM 835 O LEU A 76 9.682 -1.902 -1.093 1.00 0.00 O ATOM 836 CB LEU A 76 9.830 -0.409 1.854 1.00 0.00 C ATOM 837 CG LEU A 76 10.070 0.981 1.435 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.877 1.760 1.810 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.304 1.593 1.990 1.00 0.00 C ATOM 0 H LEU A 76 8.175 -1.564 2.806 1.00 0.00 H new ATOM 0 HA LEU A 76 8.326 -0.448 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.458 -0.413 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.777 -0.948 1.857 1.00 0.00 H new ATOM 0 HG LEU A 76 10.237 0.985 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.015 2.800 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.002 1.352 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.730 1.704 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.398 2.616 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.250 1.598 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.172 1.015 1.672 1.00 0.00 H new ATOM 851 N ASP A 77 10.120 -3.143 0.643 1.00 0.00 N ATOM 852 CA ASP A 77 10.898 -4.115 -0.150 1.00 0.00 C ATOM 853 C ASP A 77 10.006 -5.106 -0.792 1.00 0.00 C ATOM 854 O ASP A 77 10.185 -5.461 -1.940 1.00 0.00 O ATOM 855 CB ASP A 77 11.930 -4.877 0.725 1.00 0.00 C ATOM 856 CG ASP A 77 11.415 -6.062 1.544 1.00 0.00 C ATOM 857 OD1 ASP A 77 10.991 -5.885 2.686 1.00 0.00 O ATOM 858 OD2 ASP A 77 11.515 -7.205 1.071 1.00 0.00 O ATOM 0 H ASP A 77 10.034 -3.370 1.634 1.00 0.00 H new ATOM 0 HA ASP A 77 11.429 -3.542 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.725 -5.238 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.382 -4.162 1.413 1.00 0.00 H new ATOM 863 N THR A 78 8.998 -5.430 -0.100 1.00 0.00 N ATOM 864 CA THR A 78 8.161 -6.534 -0.397 1.00 0.00 C ATOM 865 C THR A 78 7.312 -6.255 -1.569 1.00 0.00 C ATOM 866 O THR A 78 6.992 -7.159 -2.374 1.00 0.00 O ATOM 867 CB THR A 78 7.372 -6.866 0.846 1.00 0.00 C ATOM 868 OG1 THR A 78 8.280 -7.448 1.777 1.00 0.00 O ATOM 869 CG2 THR A 78 6.217 -7.772 0.587 1.00 0.00 C ATOM 0 H THR A 78 8.710 -4.915 0.732 1.00 0.00 H new ATOM 0 HA THR A 78 8.753 -7.406 -0.674 1.00 0.00 H new ATOM 0 HB THR A 78 6.930 -5.951 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.847 -7.524 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.693 -7.970 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.534 -7.298 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.578 -8.711 0.167 1.00 0.00 H new ATOM 877 N LEU A 79 7.031 -5.007 -1.705 1.00 0.00 N ATOM 878 CA LEU A 79 6.286 -4.500 -2.745 1.00 0.00 C ATOM 879 C LEU A 79 6.939 -4.869 -4.074 1.00 0.00 C ATOM 880 O LEU A 79 6.364 -5.557 -4.896 1.00 0.00 O ATOM 881 CB LEU A 79 6.256 -3.016 -2.602 1.00 0.00 C ATOM 882 CG LEU A 79 4.935 -2.352 -2.801 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.158 -3.019 -3.900 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.158 -2.335 -1.479 1.00 0.00 C ATOM 0 H LEU A 79 7.343 -4.294 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 79 5.276 -4.910 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.618 -2.762 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.962 -2.591 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 79 5.098 -1.320 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.199 -2.516 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.722 -2.961 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.988 -4.065 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.194 -1.849 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.999 -3.358 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.728 -1.786 -0.729 1.00 0.00 H new ATOM 896 N LYS A 80 8.153 -4.414 -4.225 1.00 0.00 N ATOM 897 CA LYS A 80 8.979 -4.670 -5.405 1.00 0.00 C ATOM 898 C LYS A 80 9.478 -6.114 -5.484 1.00 0.00 C ATOM 899 O LYS A 80 9.892 -6.593 -6.536 1.00 0.00 O ATOM 900 CB LYS A 80 10.158 -3.737 -5.346 1.00 0.00 C ATOM 901 CG LYS A 80 9.725 -2.315 -5.338 1.00 0.00 C ATOM 902 CD LYS A 80 9.974 -1.720 -4.008 1.00 0.00 C ATOM 903 CE LYS A 80 11.492 -1.591 -3.721 1.00 0.00 C ATOM 904 NZ LYS A 80 11.806 -0.883 -2.448 1.00 0.00 N ATOM 0 H LYS A 80 8.619 -3.840 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 80 8.369 -4.504 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.744 -3.945 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.809 -3.916 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.266 -1.757 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.665 -2.247 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.507 -0.736 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.508 -2.336 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.932 -2.588 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.965 -1.060 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.612 -1.347 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.047 0.108 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.978 -0.916 -1.819 1.00 0.00 H new ATOM 918 N LYS A 81 9.456 -6.778 -4.372 1.00 0.00 N ATOM 919 CA LYS A 81 9.993 -8.105 -4.241 1.00 0.00 C ATOM 920 C LYS A 81 9.068 -9.163 -4.806 1.00 0.00 C ATOM 921 O LYS A 81 9.463 -9.975 -5.636 1.00 0.00 O ATOM 922 CB LYS A 81 10.222 -8.329 -2.780 1.00 0.00 C ATOM 923 CG LYS A 81 10.885 -9.599 -2.399 1.00 0.00 C ATOM 924 CD LYS A 81 11.201 -9.565 -0.936 1.00 0.00 C ATOM 925 CE LYS A 81 10.010 -9.919 -0.127 1.00 0.00 C ATOM 926 NZ LYS A 81 10.184 -9.527 1.290 1.00 0.00 N ATOM 0 H LYS A 81 9.057 -6.409 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 81 10.918 -8.188 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.823 -7.503 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.258 -8.282 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.235 -10.445 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.798 -9.735 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.012 -10.260 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.551 -8.571 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.129 -9.425 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.831 -10.992 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.289 -10.380 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.034 -8.935 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.351 -8.990 1.606 1.00 0.00 H new ATOM 940 N GLN A 82 7.854 -9.131 -4.383 1.00 0.00 N ATOM 941 CA GLN A 82 6.870 -10.113 -4.813 1.00 0.00 C ATOM 942 C GLN A 82 6.051 -9.583 -5.958 1.00 0.00 C ATOM 943 O GLN A 82 5.761 -10.293 -6.922 1.00 0.00 O ATOM 944 CB GLN A 82 5.946 -10.407 -3.673 1.00 0.00 C ATOM 945 CG GLN A 82 5.016 -11.591 -3.886 1.00 0.00 C ATOM 946 CD GLN A 82 5.764 -12.903 -3.943 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.110 -13.392 -5.014 1.00 0.00 O ATOM 948 NE2 GLN A 82 6.107 -13.429 -2.789 1.00 0.00 N ATOM 0 H GLN A 82 7.496 -8.433 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 82 7.396 -11.012 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.543 -10.590 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.342 -9.521 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.285 -11.626 -3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.460 -11.452 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.800 -12.994 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.680 -14.272 -2.763 1.00 0.00 H new ATOM 957 N TRP A 83 5.689 -8.344 -5.853 1.00 0.00 N ATOM 958 CA TRP A 83 4.818 -7.737 -6.800 1.00 0.00 C ATOM 959 C TRP A 83 5.647 -6.778 -7.662 1.00 0.00 C ATOM 960 O TRP A 83 6.885 -6.923 -7.730 1.00 0.00 O ATOM 961 CB TRP A 83 3.678 -7.020 -6.029 1.00 0.00 C ATOM 962 CG TRP A 83 3.019 -7.901 -4.970 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.287 -9.045 -5.145 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.038 -7.664 -3.572 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.875 -9.522 -3.907 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.323 -8.679 -2.940 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.600 -6.685 -2.817 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.159 -8.722 -1.559 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.454 -6.701 -1.451 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.734 -7.713 -0.820 1.00 0.00 C ATOM 0 H TRP A 83 5.993 -7.724 -5.102 1.00 0.00 H new ATOM 0 HA TRP A 83 4.355 -8.468 -7.464 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.078 -6.126 -5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.920 -6.689 -6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.065 -9.505 -6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.326 -10.367 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.162 -5.894 -3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.602 -9.517 -1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.904 -5.918 -0.858 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.626 -7.706 0.255 1.00 0.00 H new ATOM 981 N LYS A 84 5.004 -5.845 -8.338 1.00 0.00 N ATOM 982 CA LYS A 84 5.721 -4.885 -9.172 1.00 0.00 C ATOM 983 C LYS A 84 6.504 -3.907 -8.337 1.00 0.00 C ATOM 984 O LYS A 84 7.733 -3.942 -8.284 1.00 0.00 O ATOM 985 CB LYS A 84 4.769 -4.115 -10.076 1.00 0.00 C ATOM 986 CG LYS A 84 3.997 -4.946 -11.075 1.00 0.00 C ATOM 987 CD LYS A 84 2.932 -4.098 -11.758 1.00 0.00 C ATOM 988 CE LYS A 84 3.527 -2.963 -12.596 1.00 0.00 C ATOM 989 NZ LYS A 84 2.480 -2.046 -13.102 1.00 0.00 N ATOM 0 H LYS A 84 3.991 -5.727 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 84 6.412 -5.461 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.056 -3.579 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.342 -3.365 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.678 -5.356 -11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.530 -5.792 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.322 -4.735 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.269 -3.677 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.241 -2.402 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.080 -3.383 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.928 -1.237 -13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.872 -2.552 -13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.904 -1.704 -12.307 1.00 0.00 H new ATOM 1003 N GLY A 85 5.783 -3.046 -7.708 1.00 0.00 N ATOM 1004 CA GLY A 85 6.329 -2.038 -6.940 1.00 0.00 C ATOM 1005 C GLY A 85 6.423 -0.781 -7.675 1.00 0.00 C ATOM 1006 O GLY A 85 7.119 -0.670 -8.682 1.00 0.00 O ATOM 0 H GLY A 85 4.763 -3.044 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.720 -1.892 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.322 -2.336 -6.603 1.00 0.00 H new ATOM 1010 N PRO A 86 5.671 0.135 -7.246 1.00 0.00 N ATOM 1011 CA PRO A 86 5.651 1.462 -7.766 1.00 0.00 C ATOM 1012 C PRO A 86 6.663 2.334 -7.030 1.00 0.00 C ATOM 1013 O PRO A 86 7.408 1.829 -6.189 1.00 0.00 O ATOM 1014 CB PRO A 86 4.230 1.852 -7.507 1.00 0.00 C ATOM 1015 CG PRO A 86 3.830 1.116 -6.275 1.00 0.00 C ATOM 1016 CD PRO A 86 4.772 -0.002 -6.111 1.00 0.00 C ATOM 0 HA PRO A 86 5.931 1.563 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.139 2.929 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.591 1.584 -8.348 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.860 1.774 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.808 0.748 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.309 0.063 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.258 -0.963 -6.121 1.00 0.00 H new ATOM 1024 N ASP A 87 6.745 3.592 -7.375 1.00 0.00 N ATOM 1025 CA ASP A 87 7.659 4.513 -6.682 1.00 0.00 C ATOM 1026 C ASP A 87 7.177 4.750 -5.256 1.00 0.00 C ATOM 1027 O ASP A 87 7.972 4.943 -4.321 1.00 0.00 O ATOM 1028 CB ASP A 87 7.804 5.849 -7.429 1.00 0.00 C ATOM 1029 CG ASP A 87 8.584 5.751 -8.727 1.00 0.00 C ATOM 1030 OD1 ASP A 87 8.141 5.045 -9.657 1.00 0.00 O ATOM 1031 OD2 ASP A 87 9.685 6.366 -8.835 1.00 0.00 O ATOM 0 H ASP A 87 6.201 4.017 -8.125 1.00 0.00 H new ATOM 0 HA ASP A 87 8.644 4.048 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.811 6.243 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.297 6.567 -6.774 1.00 0.00 H new ATOM 1036 N ASP A 88 5.876 4.708 -5.095 1.00 0.00 N ATOM 1037 CA ASP A 88 5.204 4.867 -3.820 1.00 0.00 C ATOM 1038 C ASP A 88 3.868 4.186 -3.850 1.00 0.00 C ATOM 1039 O ASP A 88 3.171 4.199 -4.858 1.00 0.00 O ATOM 1040 CB ASP A 88 5.083 6.342 -3.387 1.00 0.00 C ATOM 1041 CG ASP A 88 4.434 7.250 -4.424 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.017 7.438 -5.514 1.00 0.00 O ATOM 1043 OD2 ASP A 88 3.369 7.819 -4.161 1.00 0.00 O ATOM 0 H ASP A 88 5.232 4.557 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 88 5.823 4.386 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.504 6.391 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.078 6.724 -3.159 1.00 0.00 H new ATOM 1048 N ILE A 89 3.566 3.518 -2.778 1.00 0.00 N ATOM 1049 CA ILE A 89 2.327 2.760 -2.616 1.00 0.00 C ATOM 1050 C ILE A 89 1.409 3.482 -1.697 1.00 0.00 C ATOM 1051 O ILE A 89 1.879 4.201 -0.819 1.00 0.00 O ATOM 1052 CB ILE A 89 2.568 1.388 -2.000 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.136 1.529 -0.583 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.495 0.638 -2.876 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.637 1.543 -0.439 1.00 0.00 C ATOM 0 H ILE A 89 4.178 3.473 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 89 1.902 2.647 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 89 1.627 0.843 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.747 2.452 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.747 0.709 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.680 -0.348 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.052 0.529 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.437 1.180 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.901 1.648 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.048 0.610 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.049 2.381 -1.001 1.00 0.00 H new ATOM 1067 N LEU A 90 0.119 3.315 -1.845 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.748 3.992 -0.966 1.00 0.00 C ATOM 1069 C LEU A 90 -0.693 3.332 0.380 1.00 0.00 C ATOM 1070 O LEU A 90 -0.679 2.102 0.483 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.193 4.073 -1.497 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.888 5.427 -1.527 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.211 5.272 -2.160 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.085 5.983 -0.162 1.00 0.00 C ATOM 0 H LEU A 90 -0.328 2.729 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.409 5.025 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.194 3.679 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.804 3.401 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.255 6.113 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.717 6.237 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.086 4.900 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.809 4.564 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.584 6.950 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.698 5.299 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.117 6.109 0.323 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.615 4.149 1.389 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.664 3.685 2.722 1.00 0.00 C ATOM 1088 C LEU A 91 -2.067 3.582 3.050 1.00 0.00 C ATOM 1089 O LEU A 91 -2.905 4.276 2.474 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.079 4.665 3.700 1.00 0.00 C ATOM 1091 CG LEU A 91 1.187 4.284 4.507 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.063 3.305 3.820 1.00 0.00 C ATOM 1093 CD2 LEU A 91 1.980 5.493 4.814 1.00 0.00 C ATOM 0 H LEU A 91 -0.515 5.160 1.298 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.103 2.753 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.149 5.578 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.860 4.913 4.418 1.00 0.00 H new ATOM 0 HG LEU A 91 0.823 3.810 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.928 3.088 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.507 2.385 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.399 3.721 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.867 5.212 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.282 5.976 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.377 6.184 5.403 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.330 2.841 4.007 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.667 2.617 4.362 1.00 0.00 C ATOM 1107 C GLY A 92 -4.065 3.552 5.407 1.00 0.00 C ATOM 1108 O GLY A 92 -4.532 3.161 6.466 1.00 0.00 O ATOM 0 H GLY A 92 -1.638 2.361 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.309 2.738 3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.793 1.592 4.711 1.00 0.00 H new ATOM 1112 N MET A 93 -3.888 4.795 5.116 1.00 0.00 N ATOM 1113 CA MET A 93 -4.103 5.786 6.035 1.00 0.00 C ATOM 1114 C MET A 93 -4.964 6.822 5.463 1.00 0.00 C ATOM 1115 O MET A 93 -4.789 7.211 4.304 1.00 0.00 O ATOM 1116 CB MET A 93 -2.818 6.344 6.598 1.00 0.00 C ATOM 1117 CG MET A 93 -2.678 7.854 6.500 1.00 0.00 C ATOM 1118 SD MET A 93 -1.214 8.470 7.294 1.00 0.00 S ATOM 1119 CE MET A 93 0.008 7.400 6.638 1.00 0.00 C ATOM 0 H MET A 93 -3.582 5.128 4.202 1.00 0.00 H new ATOM 0 HA MET A 93 -4.622 5.349 6.888 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.742 6.054 7.646 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.979 5.882 6.077 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.664 8.144 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.553 8.324 6.949 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.984 7.882 6.698 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.025 6.473 7.211 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.223 7.179 5.596 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.869 7.287 6.233 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.779 8.219 5.748 1.00 0.00 C ATOM 1131 C PHE A 94 -6.752 9.418 6.576 1.00 0.00 C ATOM 1132 O PHE A 94 -6.425 9.361 7.763 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.165 7.621 5.621 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.865 7.194 6.859 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.551 6.028 7.380 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.874 7.935 7.439 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.151 5.517 8.450 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.507 7.441 8.556 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.123 6.206 9.048 1.00 0.00 C ATOM 0 H PHE A 94 -5.992 7.028 7.212 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.487 8.513 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.797 8.352 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.094 6.754 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.763 5.455 6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.163 8.889 7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.854 4.552 8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.289 8.007 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.613 5.799 9.920 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.066 10.486 5.979 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.018 11.728 6.652 1.00 0.00 C ATOM 1151 C TYR A 95 -8.385 12.119 7.077 1.00 0.00 C ATOM 1152 O TYR A 95 -9.194 12.585 6.281 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.335 12.837 5.830 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.215 14.152 6.579 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.676 14.175 7.839 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.637 15.351 6.027 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.549 15.333 8.552 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.513 16.538 6.734 1.00 0.00 C ATOM 1159 CZ TYR A 95 -5.965 16.517 8.000 1.00 0.00 C ATOM 1160 OH TYR A 95 -5.830 17.688 8.713 1.00 0.00 O ATOM 0 H TYR A 95 -7.366 10.536 5.006 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.393 11.600 7.536 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.340 12.502 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.900 13.000 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.341 13.249 8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.067 15.361 5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.123 15.316 9.545 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.842 17.469 6.298 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.432 18.376 8.140 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.651 11.880 8.317 1.00 0.00 N ATOM 1171 CA ASP A 96 -9.875 12.273 8.898 1.00 0.00 C ATOM 1172 C ASP A 96 -9.727 13.721 9.186 1.00 0.00 C ATOM 1173 O ASP A 96 -8.894 14.084 9.997 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.074 11.567 10.186 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.413 11.858 10.800 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.535 12.833 11.519 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -12.360 11.095 10.567 1.00 0.00 O ATOM 0 H ASP A 96 -8.015 11.402 8.955 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.716 12.050 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.976 10.493 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.288 11.859 10.882 1.00 0.00 H new ATOM 1182 N THR A 97 -10.453 14.545 8.527 1.00 0.00 N ATOM 1183 CA THR A 97 -10.266 15.972 8.663 1.00 0.00 C ATOM 1184 C THR A 97 -10.909 16.513 9.922 1.00 0.00 C ATOM 1185 O THR A 97 -10.545 17.580 10.416 1.00 0.00 O ATOM 1186 CB THR A 97 -10.831 16.683 7.453 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.222 16.335 7.327 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.080 16.249 6.210 1.00 0.00 C ATOM 0 H THR A 97 -11.192 14.271 7.879 1.00 0.00 H new ATOM 0 HA THR A 97 -9.194 16.157 8.735 1.00 0.00 H new ATOM 0 HB THR A 97 -10.726 17.762 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.604 16.790 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.489 16.763 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.025 16.500 6.316 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.186 15.172 6.078 1.00 0.00 H new ATOM 1196 N ASP A 98 -11.829 15.750 10.449 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.578 16.129 11.631 1.00 0.00 C ATOM 1198 C ASP A 98 -11.692 16.053 12.848 1.00 0.00 C ATOM 1199 O ASP A 98 -11.669 16.948 13.676 1.00 0.00 O ATOM 1200 CB ASP A 98 -13.767 15.206 11.791 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.669 15.606 12.926 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -15.501 16.519 12.743 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -14.578 15.009 14.018 1.00 0.00 O ATOM 0 H ASP A 98 -12.087 14.838 10.071 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.933 17.154 11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.340 15.196 10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.412 14.189 11.957 1.00 0.00 H new ATOM 1208 N ASP A 99 -10.946 14.986 12.923 1.00 0.00 N ATOM 1209 CA ASP A 99 -9.991 14.768 14.010 1.00 0.00 C ATOM 1210 C ASP A 99 -8.702 15.401 13.618 1.00 0.00 C ATOM 1211 O ASP A 99 -7.855 15.708 14.453 1.00 0.00 O ATOM 1212 CB ASP A 99 -9.738 13.273 14.180 1.00 0.00 C ATOM 1213 CG ASP A 99 -9.023 12.900 15.466 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -9.298 13.507 16.522 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -8.211 11.944 15.450 1.00 0.00 O ATOM 0 H ASP A 99 -10.972 14.232 12.237 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.383 15.188 14.936 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.693 12.749 14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.148 12.918 13.335 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.574 15.577 12.306 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.403 16.091 11.648 1.00 0.00 C ATOM 1222 C ALA A 100 -6.263 15.120 11.858 1.00 0.00 C ATOM 1223 O ALA A 100 -5.118 15.501 12.108 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.070 17.510 12.088 1.00 0.00 C ATOM 0 H ALA A 100 -9.325 15.351 11.653 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.594 16.173 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.178 17.854 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.906 18.169 11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.887 17.524 13.162 1.00 0.00 H new ATOM 1230 N SER A 101 -6.576 13.854 11.683 1.00 0.00 N ATOM 1231 CA SER A 101 -5.650 12.832 11.964 1.00 0.00 C ATOM 1232 C SER A 101 -5.562 11.864 10.867 1.00 0.00 C ATOM 1233 O SER A 101 -6.507 11.676 10.087 1.00 0.00 O ATOM 1234 CB SER A 101 -6.039 12.134 13.245 1.00 0.00 C ATOM 1235 OG SER A 101 -5.310 10.947 13.500 1.00 0.00 O ATOM 0 H SER A 101 -7.481 13.528 11.343 1.00 0.00 H new ATOM 0 HA SER A 101 -4.667 13.288 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.897 12.822 14.079 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.102 11.894 13.208 1.00 0.00 H new ATOM 0 HG SER A 101 -5.544 10.603 14.387 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.446 11.267 10.802 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.219 10.239 9.901 1.00 0.00 C ATOM 1243 C PHE A 102 -4.489 8.942 10.580 1.00 0.00 C ATOM 1244 O PHE A 102 -3.963 8.655 11.663 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.859 10.285 9.331 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.605 11.472 8.532 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.043 11.528 7.236 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.929 12.544 9.076 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.805 12.652 6.490 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.690 13.659 8.342 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.124 13.721 7.053 1.00 0.00 C ATOM 0 H PHE A 102 -3.646 11.491 11.394 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.897 10.354 9.055 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.132 10.240 10.142 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.702 9.401 8.713 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.573 10.691 6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.586 12.495 10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.147 12.706 5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.159 14.493 8.777 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.937 14.608 6.466 1.00 0.00 H new ATOM 1261 N LYS A 103 -5.314 8.178 9.978 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.838 7.014 10.596 1.00 0.00 C ATOM 1263 C LYS A 103 -5.572 5.833 9.756 1.00 0.00 C ATOM 1264 O LYS A 103 -5.673 5.912 8.554 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.335 7.218 10.762 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.622 8.574 11.318 1.00 0.00 C ATOM 1267 CD LYS A 103 -8.988 8.796 11.782 1.00 0.00 C ATOM 1268 CE LYS A 103 -8.977 9.905 12.807 1.00 0.00 C ATOM 1269 NZ LYS A 103 -8.182 9.593 14.028 1.00 0.00 N ATOM 0 H LYS A 103 -5.653 8.340 9.030 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.368 6.848 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.832 7.101 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.740 6.454 11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.942 8.756 12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.394 9.315 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.633 9.062 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.392 7.882 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.577 10.808 12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.003 10.125 13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.370 10.310 14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.452 8.655 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.169 9.596 13.793 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.216 4.761 10.367 1.00 0.00 N ATOM 1284 CA TRP A 104 -4.994 3.551 9.657 1.00 0.00 C ATOM 1285 C TRP A 104 -6.317 2.891 9.369 1.00 0.00 C ATOM 1286 O TRP A 104 -7.186 2.843 10.244 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.132 2.603 10.480 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.694 2.985 10.626 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.001 3.100 11.787 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.768 3.294 9.578 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.701 3.416 11.523 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.537 3.563 10.181 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.859 3.360 8.191 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.594 3.897 9.449 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.743 3.691 7.468 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.471 3.957 8.097 1.00 0.00 C ATOM 0 H TRP A 104 -5.070 4.696 11.374 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.479 3.780 8.724 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.568 2.519 11.475 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.180 1.613 10.026 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.417 2.962 12.774 1.00 0.00 H new ATOM 0 HE1 TRP A 104 0.033 3.525 12.222 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.794 3.154 7.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.536 4.101 9.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.806 3.747 6.391 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.332 4.216 7.498 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.469 2.366 8.166 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.663 1.611 7.791 1.00 0.00 C ATOM 1309 C PHE A 105 -7.761 0.310 8.583 1.00 0.00 C ATOM 1310 O PHE A 105 -8.796 -0.374 8.573 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.732 1.331 6.283 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.341 2.437 5.509 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.648 2.793 5.758 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.633 3.140 4.550 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.232 3.811 5.072 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.204 4.135 3.884 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.506 4.485 4.133 1.00 0.00 C ATOM 0 H PHE A 105 -5.776 2.447 7.422 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.519 2.238 8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.725 1.146 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.307 0.420 6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.215 2.258 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.607 2.876 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.259 4.083 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.638 4.674 3.139 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.959 5.297 3.584 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.670 -0.009 9.262 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.583 -1.155 10.187 1.00 0.00 C ATOM 1329 C ASP A 106 -7.449 -0.882 11.437 1.00 0.00 C ATOM 1330 O ASP A 106 -7.716 -1.777 12.249 1.00 0.00 O ATOM 1331 CB ASP A 106 -5.118 -1.332 10.595 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.825 -2.492 11.510 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.609 -3.619 11.026 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -4.729 -2.291 12.735 1.00 0.00 O ATOM 0 H ASP A 106 -5.802 0.521 9.193 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.948 -2.061 9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.521 -1.448 9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.784 -0.416 11.083 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.879 0.391 11.574 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.730 0.880 12.677 1.00 0.00 C ATOM 1341 C ASN A 107 -7.961 1.037 13.970 1.00 0.00 C ATOM 1342 O ASN A 107 -8.545 1.231 15.047 1.00 0.00 O ATOM 1343 CB ASN A 107 -10.017 0.041 12.872 1.00 0.00 C ATOM 1344 CG ASN A 107 -11.074 0.301 11.815 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -11.917 1.192 11.970 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.051 -0.444 10.743 1.00 0.00 N ATOM 0 H ASN A 107 -7.638 1.122 10.905 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.058 1.875 12.375 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.756 -1.017 12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.436 0.256 13.855 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.741 -0.298 10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.343 -1.172 10.643 1.00 0.00 H new ATOM 1353 N SER A 108 -6.665 1.014 13.857 1.00 0.00 N ATOM 1354 CA SER A 108 -5.800 1.174 14.990 1.00 0.00 C ATOM 1355 C SER A 108 -5.060 2.503 14.875 1.00 0.00 C ATOM 1356 O SER A 108 -5.023 3.101 13.782 1.00 0.00 O ATOM 1357 CB SER A 108 -4.823 0.011 15.047 1.00 0.00 C ATOM 1358 OG SER A 108 -5.522 -1.229 15.004 1.00 0.00 O ATOM 0 H SER A 108 -6.176 0.883 12.972 1.00 0.00 H new ATOM 0 HA SER A 108 -6.384 1.180 15.911 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.126 0.072 14.211 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.231 0.070 15.960 1.00 0.00 H new ATOM 0 HG SER A 108 -5.185 -1.769 14.258 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.478 2.963 15.974 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.782 4.188 16.005 1.00 0.00 C ATOM 1366 C ASN A 109 -2.470 4.108 15.285 1.00 0.00 C ATOM 1367 O ASN A 109 -1.868 3.024 15.133 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.512 4.644 17.426 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.752 3.704 18.292 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.886 2.481 18.208 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.896 4.271 19.097 1.00 0.00 N ATOM 0 H ASN A 109 -4.491 2.470 16.867 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.429 4.907 15.503 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.966 5.586 17.384 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.469 4.851 17.905 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.300 3.697 19.694 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.823 5.288 19.130 1.00 0.00 H new ATOM 1378 N MET A 110 -2.030 5.239 14.835 1.00 0.00 N ATOM 1379 CA MET A 110 -0.760 5.357 14.206 1.00 0.00 C ATOM 1380 C MET A 110 0.312 5.475 15.265 1.00 0.00 C ATOM 1381 O MET A 110 0.613 6.554 15.772 1.00 0.00 O ATOM 1382 CB MET A 110 -0.761 6.530 13.255 1.00 0.00 C ATOM 1383 CG MET A 110 0.517 6.722 12.472 1.00 0.00 C ATOM 1384 SD MET A 110 0.324 7.940 11.172 1.00 0.00 S ATOM 1385 CE MET A 110 -1.058 7.203 10.293 1.00 0.00 C ATOM 0 H MET A 110 -2.550 6.114 14.896 1.00 0.00 H new ATOM 0 HA MET A 110 -0.547 4.467 13.614 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.585 6.407 12.552 1.00 0.00 H new ATOM 0 HB3 MET A 110 -0.960 7.438 13.823 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.314 7.034 13.147 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.823 5.771 12.036 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.752 6.953 9.277 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.376 6.297 10.809 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.886 7.911 10.258 1.00 0.00 H new ATOM 1395 N THR A 111 0.826 4.343 15.633 1.00 0.00 N ATOM 1396 CA THR A 111 1.800 4.232 16.662 1.00 0.00 C ATOM 1397 C THR A 111 3.206 4.544 16.132 1.00 0.00 C ATOM 1398 O THR A 111 4.094 4.938 16.883 1.00 0.00 O ATOM 1399 CB THR A 111 1.750 2.810 17.215 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.865 1.866 16.137 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.445 2.589 17.944 1.00 0.00 C ATOM 0 H THR A 111 0.570 3.450 15.212 1.00 0.00 H new ATOM 0 HA THR A 111 1.580 4.954 17.448 1.00 0.00 H new ATOM 0 HB THR A 111 2.578 2.668 17.909 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.016 1.388 16.029 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.415 1.573 18.336 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.364 3.298 18.768 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.386 2.736 17.255 1.00 0.00 H new ATOM 1409 N PHE A 112 3.387 4.387 14.823 1.00 0.00 N ATOM 1410 CA PHE A 112 4.663 4.623 14.180 1.00 0.00 C ATOM 1411 C PHE A 112 4.442 5.453 12.966 1.00 0.00 C ATOM 1412 O PHE A 112 3.356 5.410 12.390 1.00 0.00 O ATOM 1413 CB PHE A 112 5.286 3.327 13.725 1.00 0.00 C ATOM 1414 CG PHE A 112 6.737 3.468 13.382 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.698 3.618 14.367 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.123 3.474 12.075 1.00 0.00 C ATOM 1417 CE1 PHE A 112 9.028 3.768 14.034 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.446 3.628 11.721 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.404 3.776 12.707 1.00 0.00 C ATOM 0 H PHE A 112 2.649 4.092 14.184 1.00 0.00 H new ATOM 0 HA PHE A 112 5.319 5.117 14.897 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.174 2.580 14.511 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.746 2.956 12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.404 3.618 15.406 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.378 3.356 11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.772 3.879 14.809 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.733 3.633 10.680 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.443 3.897 12.439 1.00 0.00 H new ATOM 1429 N ASP A 113 5.463 6.167 12.554 1.00 0.00 N ATOM 1430 CA ASP A 113 5.378 6.994 11.393 1.00 0.00 C ATOM 1431 C ASP A 113 6.716 7.259 10.801 1.00 0.00 C ATOM 1432 O ASP A 113 7.732 7.303 11.492 1.00 0.00 O ATOM 1433 CB ASP A 113 4.666 8.302 11.690 1.00 0.00 C ATOM 1434 CG ASP A 113 5.396 9.152 12.725 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.174 8.947 13.942 1.00 0.00 O ATOM 1436 OD2 ASP A 113 6.204 10.035 12.359 1.00 0.00 O ATOM 0 H ASP A 113 6.371 6.185 13.019 1.00 0.00 H new ATOM 0 HA ASP A 113 4.789 6.442 10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.563 8.872 10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.659 8.089 12.047 1.00 0.00 H new ATOM 1441 N LYS A 114 6.705 7.366 9.506 1.00 0.00 N ATOM 1442 CA LYS A 114 7.846 7.723 8.743 1.00 0.00 C ATOM 1443 C LYS A 114 7.462 8.932 7.913 1.00 0.00 C ATOM 1444 O LYS A 114 7.333 8.856 6.706 1.00 0.00 O ATOM 1445 CB LYS A 114 8.186 6.575 7.813 1.00 0.00 C ATOM 1446 CG LYS A 114 8.645 5.301 8.492 1.00 0.00 C ATOM 1447 CD LYS A 114 10.095 5.351 8.957 1.00 0.00 C ATOM 1448 CE LYS A 114 11.082 5.464 7.787 1.00 0.00 C ATOM 1449 NZ LYS A 114 12.482 5.335 8.234 1.00 0.00 N ATOM 0 H LYS A 114 5.872 7.200 8.941 1.00 0.00 H new ATOM 0 HA LYS A 114 8.702 7.940 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.308 6.348 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.968 6.904 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.003 5.104 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.521 4.466 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.230 6.201 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.320 4.453 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.863 4.690 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.947 6.424 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.117 5.417 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.699 6.089 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.618 4.408 8.686 1.00 0.00 H new ATOM 1463 N TRP A 115 7.258 10.032 8.557 1.00 0.00 N ATOM 1464 CA TRP A 115 6.830 11.223 7.859 1.00 0.00 C ATOM 1465 C TRP A 115 7.990 12.025 7.334 1.00 0.00 C ATOM 1466 O TRP A 115 8.958 12.287 8.052 1.00 0.00 O ATOM 1467 CB TRP A 115 5.946 12.123 8.732 1.00 0.00 C ATOM 1468 CG TRP A 115 4.620 11.576 9.057 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.181 11.221 10.251 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.564 11.360 8.161 1.00 0.00 C ATOM 1471 NE1 TRP A 115 2.886 10.777 10.182 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.486 10.854 8.895 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.428 11.542 6.814 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.283 10.533 8.310 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.251 11.226 6.237 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.184 10.729 6.968 1.00 0.00 C ATOM 0 H TRP A 115 7.377 10.143 9.564 1.00 0.00 H new ATOM 0 HA TRP A 115 6.240 10.868 7.014 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.474 12.330 9.663 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.812 13.077 8.223 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.764 11.273 11.159 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.323 10.446 10.966 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.245 11.930 6.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.458 10.144 8.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.136 11.365 5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.259 10.493 6.464 1.00 0.00 H new ATOM 1487 N THR A 116 7.900 12.400 6.088 1.00 0.00 N ATOM 1488 CA THR A 116 8.848 13.302 5.515 1.00 0.00 C ATOM 1489 C THR A 116 8.207 14.698 5.580 1.00 0.00 C ATOM 1490 O THR A 116 6.995 14.801 5.825 1.00 0.00 O ATOM 1491 CB THR A 116 9.208 12.937 4.031 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.171 13.866 3.502 1.00 0.00 O ATOM 1493 CG2 THR A 116 7.981 12.897 3.123 1.00 0.00 C ATOM 0 H THR A 116 7.170 12.088 5.448 1.00 0.00 H new ATOM 0 HA THR A 116 9.786 13.253 6.068 1.00 0.00 H new ATOM 0 HB THR A 116 9.636 11.935 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.386 13.623 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.287 12.640 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.280 12.148 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.499 13.875 3.120 1.00 0.00 H new ATOM 1501 N ASP A 117 8.968 15.740 5.395 1.00 0.00 N ATOM 1502 CA ASP A 117 8.406 17.098 5.414 1.00 0.00 C ATOM 1503 C ASP A 117 7.875 17.425 4.046 1.00 0.00 C ATOM 1504 O ASP A 117 8.640 17.481 3.068 1.00 0.00 O ATOM 1505 CB ASP A 117 9.431 18.141 5.851 1.00 0.00 C ATOM 1506 CG ASP A 117 8.853 19.548 5.854 1.00 0.00 C ATOM 1507 OD1 ASP A 117 8.049 19.879 6.752 1.00 0.00 O ATOM 1508 OD2 ASP A 117 9.227 20.363 4.985 1.00 0.00 O ATOM 0 H ASP A 117 9.973 15.696 5.229 1.00 0.00 H new ATOM 0 HA ASP A 117 7.599 17.125 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.793 17.896 6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.291 18.105 5.183 1.00 0.00 H new ATOM 1513 N GLN A 118 6.586 17.617 3.955 1.00 0.00 N ATOM 1514 CA GLN A 118 5.932 17.780 2.754 1.00 0.00 C ATOM 1515 C GLN A 118 5.244 19.136 2.698 1.00 0.00 C ATOM 1516 O GLN A 118 5.073 19.828 3.716 1.00 0.00 O ATOM 1517 CB GLN A 118 4.903 16.669 2.693 1.00 0.00 C ATOM 1518 CG GLN A 118 3.882 16.792 1.639 1.00 0.00 C ATOM 1519 CD GLN A 118 2.833 15.740 1.748 1.00 0.00 C ATOM 1520 OE1 GLN A 118 3.110 14.652 2.176 1.00 0.00 O ATOM 1521 NE2 GLN A 118 1.614 16.071 1.426 1.00 0.00 N ATOM 0 H GLN A 118 5.970 17.660 4.767 1.00 0.00 H new ATOM 0 HA GLN A 118 6.625 17.738 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.427 15.723 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.397 16.616 3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.416 17.775 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.361 16.726 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.417 17.005 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.857 15.396 1.534 1.00 0.00 H new ATOM 1530 N ASP A 119 4.902 19.474 1.501 1.00 0.00 N ATOM 1531 CA ASP A 119 4.084 20.576 1.104 1.00 0.00 C ATOM 1532 C ASP A 119 2.759 20.626 1.857 1.00 0.00 C ATOM 1533 O ASP A 119 2.303 19.634 2.461 1.00 0.00 O ATOM 1534 CB ASP A 119 3.818 20.349 -0.362 1.00 0.00 C ATOM 1535 CG ASP A 119 2.780 21.232 -1.031 1.00 0.00 C ATOM 1536 OD1 ASP A 119 3.126 22.359 -1.440 1.00 0.00 O ATOM 1537 OD2 ASP A 119 1.622 20.799 -1.197 1.00 0.00 O ATOM 0 H ASP A 119 5.218 18.934 0.696 1.00 0.00 H new ATOM 0 HA ASP A 119 4.586 21.520 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.759 20.472 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.511 19.311 -0.491 1.00 0.00 H new ATOM 1542 N ASP A 120 2.167 21.771 1.756 1.00 0.00 N ATOM 1543 CA ASP A 120 0.891 22.154 2.385 1.00 0.00 C ATOM 1544 C ASP A 120 1.049 22.235 3.904 1.00 0.00 C ATOM 1545 O ASP A 120 2.165 22.118 4.434 1.00 0.00 O ATOM 1546 CB ASP A 120 -0.279 21.205 2.017 1.00 0.00 C ATOM 1547 CG ASP A 120 -1.612 21.953 1.969 1.00 0.00 C ATOM 1548 OD1 ASP A 120 -2.154 22.335 3.035 1.00 0.00 O ATOM 1549 OD2 ASP A 120 -2.104 22.229 0.855 1.00 0.00 O ATOM 0 H ASP A 120 2.566 22.530 1.203 1.00 0.00 H new ATOM 0 HA ASP A 120 0.633 23.137 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.084 20.744 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -0.339 20.399 2.748 1.00 0.00 H new ATOM 1554 N ASP A 121 -0.042 22.447 4.602 1.00 0.00 N ATOM 1555 CA ASP A 121 -0.036 22.567 6.038 1.00 0.00 C ATOM 1556 C ASP A 121 -1.237 21.890 6.649 1.00 0.00 C ATOM 1557 O ASP A 121 -1.131 20.783 7.196 1.00 0.00 O ATOM 1558 CB ASP A 121 -0.001 24.037 6.505 1.00 0.00 C ATOM 1559 CG ASP A 121 1.307 24.746 6.250 1.00 0.00 C ATOM 1560 OD1 ASP A 121 2.329 24.394 6.893 1.00 0.00 O ATOM 1561 OD2 ASP A 121 1.348 25.683 5.413 1.00 0.00 O ATOM 0 H ASP A 121 -0.967 22.542 4.183 1.00 0.00 H new ATOM 0 HA ASP A 121 0.875 22.074 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -0.799 24.583 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.215 24.070 7.573 1.00 0.00 H new ATOM 1566 N GLU A 122 -2.388 22.524 6.517 1.00 0.00 N ATOM 1567 CA GLU A 122 -3.589 22.082 7.174 1.00 0.00 C ATOM 1568 C GLU A 122 -4.326 21.061 6.338 1.00 0.00 C ATOM 1569 O GLU A 122 -4.514 19.913 6.752 1.00 0.00 O ATOM 1570 CB GLU A 122 -4.488 23.285 7.422 1.00 0.00 C ATOM 1571 CG GLU A 122 -3.818 24.414 8.178 1.00 0.00 C ATOM 1572 CD GLU A 122 -3.403 24.035 9.580 1.00 0.00 C ATOM 1573 OE1 GLU A 122 -2.329 23.429 9.759 1.00 0.00 O ATOM 1574 OE2 GLU A 122 -4.127 24.371 10.538 1.00 0.00 O ATOM 0 H GLU A 122 -2.509 23.362 5.948 1.00 0.00 H new ATOM 0 HA GLU A 122 -3.318 21.611 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.842 23.664 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.366 22.960 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.939 24.741 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.499 25.264 8.226 1.00 0.00 H new ATOM 1581 N ASP A 123 -4.720 21.464 5.168 1.00 0.00 N ATOM 1582 CA ASP A 123 -5.481 20.608 4.299 1.00 0.00 C ATOM 1583 C ASP A 123 -4.663 20.005 3.216 1.00 0.00 C ATOM 1584 O ASP A 123 -4.428 20.584 2.175 1.00 0.00 O ATOM 1585 CB ASP A 123 -6.740 21.267 3.725 1.00 0.00 C ATOM 1586 CG ASP A 123 -6.495 22.563 2.979 1.00 0.00 C ATOM 1587 OD1 ASP A 123 -6.299 23.605 3.640 1.00 0.00 O ATOM 1588 OD2 ASP A 123 -6.508 22.573 1.725 1.00 0.00 O ATOM 0 H ASP A 123 -4.526 22.390 4.787 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.818 19.801 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.227 20.562 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.436 21.460 4.541 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.244 18.828 3.465 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.538 18.053 2.499 1.00 0.00 C ATOM 1595 C LEU A 124 -4.476 17.016 1.909 1.00 0.00 C ATOM 1596 O LEU A 124 -4.109 15.892 1.624 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.235 17.429 3.064 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.183 16.954 4.533 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.047 18.101 5.509 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.364 16.076 4.889 1.00 0.00 C ATOM 0 H LEU A 124 -4.379 18.357 4.360 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.204 18.715 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.987 16.573 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.440 18.163 2.932 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.281 16.348 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.015 17.711 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.128 18.648 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.900 18.771 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.286 15.766 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.289 16.634 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.369 15.195 4.247 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.677 17.450 1.676 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.740 16.618 1.171 1.00 0.00 C ATOM 1614 C VAL A 125 -6.574 16.448 -0.354 1.00 0.00 C ATOM 1615 O VAL A 125 -7.169 15.568 -0.989 1.00 0.00 O ATOM 1616 CB VAL A 125 -8.119 17.263 1.527 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.296 16.450 1.019 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.232 17.458 3.030 1.00 0.00 C ATOM 0 H VAL A 125 -5.958 18.418 1.834 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.699 15.631 1.631 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.157 18.229 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.227 16.946 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.238 16.365 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.269 15.455 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.196 17.908 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -8.149 16.493 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.432 18.114 3.373 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.726 17.274 -0.902 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.402 17.285 -2.327 1.00 0.00 C ATOM 1630 C ASP A 126 -4.466 16.138 -2.698 1.00 0.00 C ATOM 1631 O ASP A 126 -4.358 15.733 -3.857 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.787 18.640 -2.694 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.262 18.711 -4.103 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.066 18.825 -5.046 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.027 18.696 -4.285 1.00 0.00 O ATOM 0 H ASP A 126 -5.221 17.981 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.320 17.140 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.538 19.418 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.973 18.858 -2.002 1.00 0.00 H new ATOM 1640 N THR A 127 -3.864 15.590 -1.712 1.00 0.00 N ATOM 1641 CA THR A 127 -2.908 14.544 -1.873 1.00 0.00 C ATOM 1642 C THR A 127 -3.318 13.402 -0.969 1.00 0.00 C ATOM 1643 O THR A 127 -4.294 13.531 -0.220 1.00 0.00 O ATOM 1644 CB THR A 127 -1.485 15.075 -1.520 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.481 14.027 -1.531 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.501 15.765 -0.182 1.00 0.00 C ATOM 0 H THR A 127 -4.021 15.858 -0.741 1.00 0.00 H new ATOM 0 HA THR A 127 -2.876 14.193 -2.904 1.00 0.00 H new ATOM 0 HB THR A 127 -1.211 15.791 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.393 14.409 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.501 16.130 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 127 -2.196 16.604 -0.214 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.818 15.061 0.587 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.615 12.306 -1.029 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.943 11.178 -0.203 1.00 0.00 C ATOM 1656 C CYS A 128 -1.711 10.761 0.557 1.00 0.00 C ATOM 1657 O CYS A 128 -0.708 11.480 0.539 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.405 10.018 -1.032 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.135 10.439 -2.636 1.00 0.00 S ATOM 0 H CYS A 128 -1.811 12.169 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.746 11.467 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.556 9.356 -1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.139 9.453 -0.457 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.736 9.585 1.166 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.592 9.158 1.879 1.00 0.00 C ATOM 1666 C ALA A 129 -0.008 7.999 1.181 1.00 0.00 C ATOM 1667 O ALA A 129 -0.625 6.966 1.068 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.991 8.705 3.292 1.00 0.00 C ATOM 0 H ALA A 129 -2.526 8.939 1.169 1.00 0.00 H new ATOM 0 HA ALA A 129 0.119 9.982 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.103 8.378 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.454 9.536 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.699 7.879 3.223 1.00 0.00 H new ATOM 1674 N PHE A 130 1.191 8.125 0.761 1.00 0.00 N ATOM 1675 CA PHE A 130 1.827 7.026 0.147 1.00 0.00 C ATOM 1676 C PHE A 130 3.138 6.862 0.751 1.00 0.00 C ATOM 1677 O PHE A 130 3.843 7.846 1.003 1.00 0.00 O ATOM 1678 CB PHE A 130 2.042 7.139 -1.376 1.00 0.00 C ATOM 1679 CG PHE A 130 0.822 7.152 -2.303 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.244 8.003 -2.120 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.792 6.296 -3.398 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.308 7.995 -3.004 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.267 6.285 -4.272 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.320 7.136 -4.075 1.00 0.00 C ATOM 0 H PHE A 130 1.751 8.975 0.830 1.00 0.00 H new ATOM 0 HA PHE A 130 1.154 6.183 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.605 8.054 -1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.677 6.307 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.250 8.682 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.621 5.624 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.137 8.670 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.269 5.607 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 130 -2.156 7.132 -4.758 1.00 0.00 H new ATOM 1694 N LEU A 131 3.427 5.679 1.053 1.00 0.00 N ATOM 1695 CA LEU A 131 4.733 5.312 1.445 1.00 0.00 C ATOM 1696 C LEU A 131 5.657 5.216 0.237 1.00 0.00 C ATOM 1697 O LEU A 131 5.364 4.544 -0.744 1.00 0.00 O ATOM 1698 CB LEU A 131 4.659 4.024 2.157 1.00 0.00 C ATOM 1699 CG LEU A 131 5.926 3.294 2.394 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.867 4.078 3.226 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.646 1.973 3.003 1.00 0.00 C ATOM 0 H LEU A 131 2.759 4.908 1.040 1.00 0.00 H new ATOM 0 HA LEU A 131 5.148 6.074 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.189 4.202 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.994 3.368 1.595 1.00 0.00 H new ATOM 0 HG LEU A 131 6.411 3.139 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.783 3.507 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.103 5.016 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.409 4.289 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.584 1.445 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.131 2.112 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.017 1.389 2.331 1.00 0.00 H new ATOM 1713 N HIS A 132 6.743 5.925 0.317 1.00 0.00 N ATOM 1714 CA HIS A 132 7.747 5.951 -0.715 1.00 0.00 C ATOM 1715 C HIS A 132 8.548 4.689 -0.664 1.00 0.00 C ATOM 1716 O HIS A 132 9.229 4.447 0.281 1.00 0.00 O ATOM 1717 CB HIS A 132 8.684 7.125 -0.484 1.00 0.00 C ATOM 1718 CG HIS A 132 9.532 7.545 -1.646 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.480 8.499 -1.536 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.567 7.144 -2.924 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.066 8.685 -2.674 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.531 7.874 -3.551 1.00 0.00 N ATOM 0 H HIS A 132 6.965 6.516 1.118 1.00 0.00 H new ATOM 0 HA HIS A 132 7.258 6.047 -1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.087 7.981 -0.171 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.344 6.876 0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.946 6.383 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.861 9.390 -2.868 1.00 0.00 H new ATOM 0 HE2 HIS A 132 10.791 7.801 -4.535 1.00 0.00 H new ATOM 1731 N ILE A 133 8.516 3.978 -1.723 1.00 0.00 N ATOM 1732 CA ILE A 133 9.214 2.729 -1.908 1.00 0.00 C ATOM 1733 C ILE A 133 10.715 2.894 -1.805 1.00 0.00 C ATOM 1734 O ILE A 133 11.430 1.985 -1.394 1.00 0.00 O ATOM 1735 CB ILE A 133 8.815 2.122 -3.294 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.561 1.246 -3.198 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.955 1.453 -4.060 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.619 0.208 -2.141 1.00 0.00 C ATOM 0 H ILE A 133 7.975 4.252 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 133 8.921 2.049 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 133 8.562 2.983 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.698 1.886 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.398 0.759 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.579 1.064 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.740 2.183 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.360 0.634 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.692 -0.365 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.459 -0.460 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.749 0.685 -1.169 1.00 0.00 H new ATOM 1750 N LYS A 134 11.168 4.057 -2.147 1.00 0.00 N ATOM 1751 CA LYS A 134 12.584 4.299 -2.201 1.00 0.00 C ATOM 1752 C LYS A 134 13.166 4.727 -0.867 1.00 0.00 C ATOM 1753 O LYS A 134 14.218 4.242 -0.465 1.00 0.00 O ATOM 1754 CB LYS A 134 12.912 5.291 -3.296 1.00 0.00 C ATOM 1755 CG LYS A 134 12.466 4.813 -4.676 1.00 0.00 C ATOM 1756 CD LYS A 134 12.730 5.820 -5.763 1.00 0.00 C ATOM 1757 CE LYS A 134 14.191 6.089 -5.897 1.00 0.00 C ATOM 1758 NZ LYS A 134 14.474 7.138 -6.892 1.00 0.00 N ATOM 0 H LYS A 134 10.584 4.856 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 134 13.060 3.348 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.432 6.244 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.987 5.471 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.982 3.884 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.400 4.587 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.336 5.451 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.204 6.748 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.594 6.390 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.703 5.171 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.501 7.292 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.114 6.841 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.008 8.023 -6.606 1.00 0.00 H new ATOM 1772 N THR A 135 12.493 5.613 -0.173 1.00 0.00 N ATOM 1773 CA THR A 135 13.045 6.113 1.086 1.00 0.00 C ATOM 1774 C THR A 135 12.278 5.598 2.305 1.00 0.00 C ATOM 1775 O THR A 135 12.821 5.518 3.414 1.00 0.00 O ATOM 1776 CB THR A 135 13.071 7.652 1.099 1.00 0.00 C ATOM 1777 OG1 THR A 135 11.754 8.156 0.855 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.003 8.194 0.034 1.00 0.00 C ATOM 0 H THR A 135 11.588 6.000 -0.439 1.00 0.00 H new ATOM 0 HA THR A 135 14.065 5.733 1.151 1.00 0.00 H new ATOM 0 HB THR A 135 13.428 7.974 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.668 8.402 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.000 9.283 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.014 7.828 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 135 13.667 7.861 -0.948 1.00 0.00 H new ATOM 1786 N GLY A 136 11.027 5.239 2.092 1.00 0.00 N ATOM 1787 CA GLY A 136 10.189 4.785 3.178 1.00 0.00 C ATOM 1788 C GLY A 136 9.661 5.921 3.945 1.00 0.00 C ATOM 1789 O GLY A 136 9.658 5.912 5.148 1.00 0.00 O ATOM 0 H GLY A 136 10.572 5.254 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.363 4.193 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.762 4.132 3.836 1.00 0.00 H new ATOM 1793 N GLU A 137 9.223 6.895 3.232 1.00 0.00 N ATOM 1794 CA GLU A 137 8.711 8.093 3.804 1.00 0.00 C ATOM 1795 C GLU A 137 7.322 8.290 3.321 1.00 0.00 C ATOM 1796 O GLU A 137 6.985 7.866 2.211 1.00 0.00 O ATOM 1797 CB GLU A 137 9.572 9.246 3.425 1.00 0.00 C ATOM 1798 CG GLU A 137 10.959 9.177 4.023 1.00 0.00 C ATOM 1799 CD GLU A 137 11.826 10.285 3.509 1.00 0.00 C ATOM 1800 OE1 GLU A 137 11.978 10.391 2.277 1.00 0.00 O ATOM 1801 OE2 GLU A 137 12.395 11.043 4.309 1.00 0.00 O ATOM 0 H GLU A 137 9.209 6.884 2.212 1.00 0.00 H new ATOM 0 HA GLU A 137 8.708 8.020 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.654 9.288 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.091 10.170 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.893 9.237 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.413 8.215 3.784 1.00 0.00 H new ATOM 1808 N TRP A 138 6.521 8.878 4.134 1.00 0.00 N ATOM 1809 CA TRP A 138 5.133 8.998 3.861 1.00 0.00 C ATOM 1810 C TRP A 138 4.754 10.387 3.479 1.00 0.00 C ATOM 1811 O TRP A 138 5.400 11.359 3.867 1.00 0.00 O ATOM 1812 CB TRP A 138 4.328 8.600 5.082 1.00 0.00 C ATOM 1813 CG TRP A 138 4.663 7.270 5.633 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.376 6.283 5.045 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.259 6.760 6.881 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.467 5.235 5.879 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.795 5.487 6.992 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.512 7.256 7.910 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.616 4.698 8.073 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.322 6.456 9.010 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.879 5.183 9.081 1.00 0.00 C ATOM 0 H TRP A 138 6.813 9.295 5.018 1.00 0.00 H new ATOM 0 HA TRP A 138 4.916 8.336 3.023 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.478 9.349 5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.269 8.616 4.824 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.806 6.331 4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 138 5.977 4.374 5.685 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.084 8.246 7.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.052 3.711 8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.729 6.822 9.835 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.715 4.578 9.960 1.00 0.00 H new ATOM 1832 N LYS A 139 3.679 10.457 2.781 1.00 0.00 N ATOM 1833 CA LYS A 139 3.064 11.664 2.363 1.00 0.00 C ATOM 1834 C LYS A 139 1.785 11.788 3.063 1.00 0.00 C ATOM 1835 O LYS A 139 1.176 10.805 3.407 1.00 0.00 O ATOM 1836 CB LYS A 139 2.849 11.672 0.860 1.00 0.00 C ATOM 1837 CG LYS A 139 4.104 11.995 0.130 1.00 0.00 C ATOM 1838 CD LYS A 139 3.986 11.846 -1.377 1.00 0.00 C ATOM 1839 CE LYS A 139 3.718 10.412 -1.783 1.00 0.00 C ATOM 1840 NZ LYS A 139 3.662 10.263 -3.243 1.00 0.00 N ATOM 0 H LYS A 139 3.176 9.626 2.469 1.00 0.00 H new ATOM 0 HA LYS A 139 3.710 12.509 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.481 10.697 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.081 12.402 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.397 13.018 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.901 11.345 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.181 12.483 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.906 12.191 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.500 9.768 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.776 10.080 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.344 9.302 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.995 10.956 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.607 10.425 -3.645 1.00 0.00 H new ATOM 1854 N LYS A 140 1.431 12.965 3.325 1.00 0.00 N ATOM 1855 CA LYS A 140 0.242 13.270 4.055 1.00 0.00 C ATOM 1856 C LYS A 140 -0.908 13.468 3.129 1.00 0.00 C ATOM 1857 O LYS A 140 -0.759 14.134 2.127 1.00 0.00 O ATOM 1858 CB LYS A 140 0.430 14.533 4.860 1.00 0.00 C ATOM 1859 CG LYS A 140 1.435 14.429 5.962 1.00 0.00 C ATOM 1860 CD LYS A 140 1.433 15.675 6.785 1.00 0.00 C ATOM 1861 CE LYS A 140 2.483 15.600 7.870 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.566 16.844 8.668 1.00 0.00 N ATOM 0 H LYS A 140 1.962 13.787 3.038 1.00 0.00 H new ATOM 0 HA LYS A 140 0.037 12.431 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.732 15.335 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.530 14.821 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.207 13.569 6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.428 14.263 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.623 16.538 6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.450 15.820 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.258 14.763 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.454 15.397 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.300 16.740 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.807 17.641 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.649 17.026 9.123 1.00 0.00 H new ATOM 1876 N GLY A 141 -2.036 12.876 3.449 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.214 13.097 2.689 1.00 0.00 C ATOM 1878 C GLY A 141 -4.203 11.972 2.799 1.00 0.00 C ATOM 1879 O GLY A 141 -4.055 11.064 3.614 1.00 0.00 O ATOM 0 H GLY A 141 -2.148 12.238 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.686 14.022 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.944 13.235 1.642 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.179 12.037 1.949 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.238 11.067 1.814 1.00 0.00 C ATOM 1885 C ASN A 142 -6.493 10.874 0.340 1.00 0.00 C ATOM 1886 O ASN A 142 -6.532 11.840 -0.403 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.529 11.496 2.571 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.995 12.960 2.375 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.730 13.553 1.247 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.585 13.546 3.271 1.00 0.00 N flip ATOM 0 H ASN A 142 -5.270 12.810 1.290 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.935 10.125 2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.340 10.836 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.370 11.329 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -8.785 13.067 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -8.878 14.514 3.141 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.629 9.664 -0.115 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.749 9.464 -1.535 1.00 0.00 C ATOM 1899 C CYS A 143 -8.118 9.606 -2.049 1.00 0.00 C ATOM 1900 O CYS A 143 -8.775 8.655 -2.400 1.00 0.00 O ATOM 1901 CB CYS A 143 -6.069 8.229 -2.047 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.778 8.637 -3.258 1.00 0.00 S ATOM 0 H CYS A 143 -6.660 8.819 0.455 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.188 10.299 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.628 7.682 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.806 7.570 -2.506 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.540 10.814 -2.051 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.823 11.207 -2.568 1.00 0.00 C ATOM 1909 C GLU A 144 -9.685 11.593 -4.047 1.00 0.00 C ATOM 1910 O GLU A 144 -10.490 12.338 -4.596 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.363 12.360 -1.732 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.542 12.037 -0.241 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.580 10.992 0.019 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.769 11.220 -0.314 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -11.230 9.915 0.551 1.00 0.00 O ATOM 0 H GLU A 144 -7.994 11.593 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.530 10.379 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.687 13.210 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.324 12.670 -2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.589 11.702 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.814 12.949 0.291 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.682 11.035 -4.664 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.361 11.264 -6.059 1.00 0.00 C ATOM 1924 C VAL A 145 -8.467 9.953 -6.806 1.00 0.00 C ATOM 1925 O VAL A 145 -8.326 8.891 -6.210 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.933 11.863 -6.256 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.791 13.149 -5.486 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.821 10.869 -5.887 1.00 0.00 C ATOM 0 H VAL A 145 -8.042 10.388 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.071 11.994 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.816 12.077 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.790 13.553 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.529 13.869 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.951 12.957 -4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.849 11.337 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.922 10.582 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.902 9.982 -6.516 1.00 0.00 H new ATOM 1938 N SER A 146 -8.660 10.021 -8.092 1.00 0.00 N ATOM 1939 CA SER A 146 -8.875 8.828 -8.885 1.00 0.00 C ATOM 1940 C SER A 146 -7.587 8.175 -9.345 1.00 0.00 C ATOM 1941 O SER A 146 -7.611 7.080 -9.898 1.00 0.00 O ATOM 1942 CB SER A 146 -9.743 9.136 -10.069 1.00 0.00 C ATOM 1943 OG SER A 146 -10.971 9.727 -9.663 1.00 0.00 O ATOM 0 H SER A 146 -8.674 10.892 -8.623 1.00 0.00 H new ATOM 0 HA SER A 146 -9.377 8.113 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.217 9.811 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.943 8.220 -10.625 1.00 0.00 H new ATOM 0 HG SER A 146 -11.213 9.399 -8.772 1.00 0.00 H new ATOM 1949 N SER A 147 -6.473 8.811 -9.084 1.00 0.00 N ATOM 1950 CA SER A 147 -5.187 8.351 -9.580 1.00 0.00 C ATOM 1951 C SER A 147 -4.593 7.141 -8.828 1.00 0.00 C ATOM 1952 O SER A 147 -3.391 6.894 -8.916 1.00 0.00 O ATOM 1953 CB SER A 147 -4.206 9.500 -9.599 1.00 0.00 C ATOM 1954 OG SER A 147 -4.689 10.566 -10.403 1.00 0.00 O ATOM 0 H SER A 147 -6.425 9.662 -8.523 1.00 0.00 H new ATOM 0 HA SER A 147 -5.372 7.988 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 147 -4.035 9.854 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.245 9.157 -9.982 1.00 0.00 H new ATOM 0 HG SER A 147 -4.039 11.299 -10.399 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.407 6.365 -8.147 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.861 5.212 -7.448 1.00 0.00 C ATOM 1962 C VAL A 148 -5.058 3.973 -8.267 1.00 0.00 C ATOM 1963 O VAL A 148 -6.173 3.661 -8.706 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.401 4.964 -6.038 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.467 4.021 -5.317 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.589 6.253 -5.296 1.00 0.00 C ATOM 0 H VAL A 148 -6.414 6.499 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.806 5.453 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.386 4.501 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.842 3.837 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.410 3.078 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.474 4.467 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.974 6.045 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.633 6.770 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.298 6.883 -5.834 1.00 0.00 H new ATOM 1976 N GLU A 149 -3.983 3.309 -8.500 1.00 0.00 N ATOM 1977 CA GLU A 149 -3.953 2.138 -9.332 1.00 0.00 C ATOM 1978 C GLU A 149 -3.436 0.938 -8.597 1.00 0.00 C ATOM 1979 O GLU A 149 -3.189 -0.090 -9.201 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.147 2.374 -10.568 1.00 0.00 C ATOM 1981 CG GLU A 149 -3.710 3.418 -11.495 1.00 0.00 C ATOM 1982 CD GLU A 149 -2.698 3.868 -12.501 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.477 3.161 -13.505 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -2.090 4.944 -12.298 1.00 0.00 O ATOM 0 H GLU A 149 -3.074 3.562 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 149 -4.984 1.932 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.139 2.671 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.058 1.434 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.582 3.015 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.051 4.275 -10.914 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.228 1.078 -7.333 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.747 -0.015 -6.562 1.00 0.00 C ATOM 1993 C GLY A 150 -2.588 0.342 -5.127 1.00 0.00 C ATOM 1994 O GLY A 150 -2.068 1.409 -4.798 1.00 0.00 O ATOM 0 H GLY A 150 -3.384 1.940 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.437 -0.854 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.788 -0.346 -6.961 1.00 0.00 H new ATOM 1998 N THR A 151 -3.029 -0.521 -4.282 1.00 0.00 N ATOM 1999 CA THR A 151 -2.888 -0.345 -2.880 1.00 0.00 C ATOM 2000 C THR A 151 -2.384 -1.615 -2.283 1.00 0.00 C ATOM 2001 O THR A 151 -2.566 -2.709 -2.860 1.00 0.00 O ATOM 2002 CB THR A 151 -4.209 0.078 -2.176 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.006 0.135 -0.763 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.348 -0.879 -2.476 1.00 0.00 C ATOM 0 H THR A 151 -3.505 -1.383 -4.549 1.00 0.00 H new ATOM 0 HA THR A 151 -2.181 0.470 -2.724 1.00 0.00 H new ATOM 0 HB THR A 151 -4.483 1.060 -2.562 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.126 0.523 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.250 -0.544 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.529 -0.903 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.084 -1.878 -2.130 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.684 -1.488 -1.193 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.256 -2.622 -0.498 1.00 0.00 C ATOM 2014 C LEU A 152 -2.279 -2.925 0.531 1.00 0.00 C ATOM 2015 O LEU A 152 -2.814 -2.022 1.192 1.00 0.00 O ATOM 2016 CB LEU A 152 0.076 -2.446 0.175 1.00 0.00 C ATOM 2017 CG LEU A 152 0.567 -3.739 0.799 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.193 -4.678 -0.160 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.418 -3.515 1.929 1.00 0.00 C ATOM 0 H LEU A 152 -1.407 -0.597 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.133 -3.431 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.807 -2.093 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.004 -1.678 0.945 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.340 -4.229 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.516 -5.575 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.469 -4.949 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 152 2.055 -4.201 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.741 -4.473 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.291 -2.940 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.871 -2.961 2.692 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.573 -4.136 0.659 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.531 -4.546 1.580 1.00 0.00 C ATOM 2033 C CYS A 153 -2.883 -5.303 2.671 1.00 0.00 C ATOM 2034 O CYS A 153 -1.912 -6.031 2.450 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.528 -5.398 0.890 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.171 -4.621 -0.605 1.00 0.00 S ATOM 0 H CYS A 153 -2.150 -4.891 0.119 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.030 -3.676 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.071 -6.353 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.353 -5.612 1.570 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.403 -5.120 3.812 1.00 0.00 N ATOM 2042 CA LYS A 154 -2.983 -5.769 4.987 1.00 0.00 C ATOM 2043 C LYS A 154 -4.220 -6.370 5.602 1.00 0.00 C ATOM 2044 O LYS A 154 -5.299 -5.838 5.459 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.332 -4.753 5.933 1.00 0.00 C ATOM 2046 CG LYS A 154 -1.970 -5.285 7.307 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.464 -4.167 8.210 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.182 -4.664 9.617 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.416 -5.106 10.326 1.00 0.00 N ATOM 0 H LYS A 154 -4.179 -4.476 3.965 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.242 -6.542 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.428 -4.369 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -3.011 -3.909 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.842 -5.756 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.205 -6.055 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.555 -3.740 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -2.204 -3.367 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.477 -5.494 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.703 -3.870 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.304 -4.951 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -3.230 -4.559 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.577 -6.117 10.145 1.00 0.00 H new ATOM 2063 N THR A 155 -4.089 -7.484 6.174 1.00 0.00 N ATOM 2064 CA THR A 155 -5.178 -8.100 6.832 1.00 0.00 C ATOM 2065 C THR A 155 -4.605 -8.819 8.013 1.00 0.00 C ATOM 2066 O THR A 155 -3.653 -9.588 7.868 1.00 0.00 O ATOM 2067 CB THR A 155 -5.954 -9.077 5.863 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.148 -9.611 6.480 1.00 0.00 O ATOM 2069 CG2 THR A 155 -5.061 -10.223 5.391 1.00 0.00 C ATOM 0 H THR A 155 -3.217 -8.013 6.207 1.00 0.00 H new ATOM 0 HA THR A 155 -5.914 -7.363 7.154 1.00 0.00 H new ATOM 0 HB THR A 155 -6.250 -8.484 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.922 -9.425 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.627 -10.875 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.202 -9.818 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.716 -10.794 6.253 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.069 -8.500 9.173 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.599 -9.171 10.339 1.00 0.00 C ATOM 2079 C ALA A 156 -5.072 -10.582 10.293 1.00 0.00 C ATOM 2080 O ALA A 156 -6.236 -10.844 9.970 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.090 -8.508 11.587 1.00 0.00 C ATOM 0 H ALA A 156 -5.772 -7.780 9.340 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.510 -9.133 10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -4.713 -9.045 12.457 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -4.736 -7.478 11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.180 -8.517 11.599 1.00 0.00 H new ATOM 2087 N ILE A 157 -4.198 -11.492 10.545 1.00 0.00 N ATOM 2088 CA ILE A 157 -4.568 -12.827 10.535 1.00 0.00 C ATOM 2089 C ILE A 157 -4.726 -13.354 11.943 1.00 0.00 C ATOM 2090 O ILE A 157 -3.773 -13.555 12.675 1.00 0.00 O ATOM 2091 CB ILE A 157 -3.643 -13.706 9.711 1.00 0.00 C ATOM 2092 CG1 ILE A 157 -2.226 -13.471 10.075 1.00 0.00 C ATOM 2093 CG2 ILE A 157 -3.862 -13.491 8.228 1.00 0.00 C ATOM 2094 CD1 ILE A 157 -1.550 -14.692 10.585 1.00 0.00 C ATOM 0 H ILE A 157 -3.217 -11.314 10.760 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.537 -12.873 10.038 1.00 0.00 H new ATOM 0 HB ILE A 157 -3.883 -14.745 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -1.688 -13.102 9.202 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.176 -12.690 10.834 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.186 -14.133 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.893 -13.736 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -3.665 -12.448 7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -0.515 -14.458 10.835 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.067 -15.049 11.476 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -1.572 -15.467 9.819 1.00 0.00 H new ATOM 2106 N PRO A 158 -5.948 -13.642 12.292 1.00 0.00 N ATOM 2107 CA PRO A 158 -6.343 -14.141 13.609 1.00 0.00 C ATOM 2108 C PRO A 158 -6.087 -15.626 13.741 1.00 0.00 C ATOM 2109 O PRO A 158 -6.555 -16.295 14.655 1.00 0.00 O ATOM 2110 CB PRO A 158 -7.826 -13.846 13.653 1.00 0.00 C ATOM 2111 CG PRO A 158 -8.279 -13.771 12.243 1.00 0.00 C ATOM 2112 CD PRO A 158 -7.078 -13.451 11.408 1.00 0.00 C ATOM 0 HA PRO A 158 -5.782 -13.679 14.422 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -8.362 -14.627 14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -8.020 -12.908 14.174 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -8.724 -14.716 11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -9.045 -13.004 12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -7.015 -14.106 10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.118 -12.428 11.034 1.00 0.00 H new ATOM 2120 N TYR A 159 -5.352 -16.109 12.803 1.00 0.00 N ATOM 2121 CA TYR A 159 -4.942 -17.479 12.735 1.00 0.00 C ATOM 2122 C TYR A 159 -3.701 -17.666 13.597 1.00 0.00 C ATOM 2123 O TYR A 159 -3.495 -18.703 14.210 1.00 0.00 O ATOM 2124 CB TYR A 159 -4.607 -17.859 11.291 1.00 0.00 C ATOM 2125 CG TYR A 159 -5.722 -17.776 10.301 1.00 0.00 C ATOM 2126 CD1 TYR A 159 -6.112 -16.564 9.844 1.00 0.00 C ATOM 2127 CD2 TYR A 159 -6.333 -18.906 9.780 1.00 0.00 C ATOM 2128 CE1 TYR A 159 -7.076 -16.424 8.902 1.00 0.00 C ATOM 2129 CE2 TYR A 159 -7.327 -18.792 8.826 1.00 0.00 C ATOM 2130 CZ TYR A 159 -7.695 -17.536 8.385 1.00 0.00 C ATOM 2131 OH TYR A 159 -8.671 -17.395 7.408 1.00 0.00 O ATOM 0 H TYR A 159 -5.003 -15.544 12.029 1.00 0.00 H new ATOM 0 HA TYR A 159 -5.752 -18.114 13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -3.798 -17.214 10.948 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -4.224 -18.879 11.288 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -5.639 -15.679 10.243 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -6.030 -19.884 10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -7.357 -15.440 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -7.810 -19.674 8.431 1.00 0.00 H new ATOM 0 HH TYR A 159 -9.006 -18.279 7.150 1.00 0.00 H new ATOM 2141 N LYS A 160 -2.885 -16.626 13.632 1.00 0.00 N ATOM 2142 CA LYS A 160 -1.614 -16.618 14.354 1.00 0.00 C ATOM 2143 C LYS A 160 -1.410 -15.249 14.981 1.00 0.00 C ATOM 2144 O LYS A 160 -0.290 -14.728 15.023 1.00 0.00 O ATOM 2145 CB LYS A 160 -0.444 -16.889 13.387 1.00 0.00 C ATOM 2146 CG LYS A 160 -0.431 -18.255 12.740 1.00 0.00 C ATOM 2147 CD LYS A 160 0.760 -18.425 11.801 1.00 0.00 C ATOM 2148 CE LYS A 160 2.107 -18.318 12.531 1.00 0.00 C ATOM 2149 NZ LYS A 160 2.277 -19.343 13.583 1.00 0.00 N ATOM 0 H LYS A 160 -3.086 -15.748 13.154 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.639 -17.395 15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.465 -16.135 12.600 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.491 -16.756 13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -0.397 -19.023 13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -1.357 -18.403 12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 160 0.694 -19.395 11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 160 0.713 -17.667 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 160 2.915 -18.412 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 160 2.194 -17.328 12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.240 -19.286 13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 1.588 -19.177 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.123 -20.287 13.176 1.00 0.00 H new ATOM 2163 N ARG A 161 -2.471 -14.678 15.475 1.00 0.00 N ATOM 2164 CA ARG A 161 -2.395 -13.358 16.036 1.00 0.00 C ATOM 2165 C ARG A 161 -2.442 -13.463 17.537 1.00 0.00 C ATOM 2166 O ARG A 161 -1.386 -13.416 18.170 1.00 0.00 O ATOM 2167 CB ARG A 161 -3.532 -12.488 15.515 1.00 0.00 C ATOM 2168 CG ARG A 161 -3.328 -11.010 15.741 1.00 0.00 C ATOM 2169 CD ARG A 161 -4.407 -10.203 15.054 1.00 0.00 C ATOM 2170 NE ARG A 161 -4.077 -8.778 15.036 1.00 0.00 N ATOM 2171 CZ ARG A 161 -4.962 -7.774 15.035 1.00 0.00 C ATOM 2172 NH1 ARG A 161 -6.270 -8.033 14.969 1.00 0.00 N ATOM 2173 NH2 ARG A 161 -4.534 -6.515 15.052 1.00 0.00 N ATOM 2174 OXT ARG A 161 -3.544 -13.669 18.088 1.00 0.00 O ATOM 0 H ARG A 161 -3.397 -15.104 15.501 1.00 0.00 H new ATOM 0 HA ARG A 161 -1.458 -12.887 15.738 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -3.653 -12.668 14.447 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -4.460 -12.794 15.997 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -3.335 -10.798 16.810 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -2.350 -10.712 15.363 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -4.537 -10.561 14.033 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -5.357 -10.352 15.567 1.00 0.00 H new ATOM 0 HE ARG A 161 -3.088 -8.528 15.023 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -6.597 -8.998 14.919 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -6.942 -7.266 14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -3.534 -6.317 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -5.206 -5.748 15.051 1.00 0.00 H new TER 2188 ARG A 161