USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1084 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 47 CYS SG : rot -86:sc= -7.04! USER MOD Set 1.2: A 106 GLN : amide:sc= 0.439 K(o=-6.6,f=-11) USER MOD Set 2.1: A 40 ASN : amide:sc= -3.5! C(o=-3.5!,f=-6.5!) USER MOD Set 2.2: A 113 MET CE :methyl -152:sc= 0 (180deg=-0.00394) USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.289 (180deg=-1.16!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 161:sc= -0.103 (180deg=-0.572) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.18! K(o=-1.2!,f=-2) USER MOD Single : A 10 SER OG : rot -170:sc= -0.162 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.983 X(o=-0.98,f=-0.91) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0.112 (180deg=0.1) USER MOD Single : A 37 SER OG : rot -54:sc= 0.504 USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.97 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc=-0.00442 (180deg=-0.845) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.25 F(o=-4.4!,f=-1.3) USER MOD Single : A 52 GLN : amide:sc= 0.022 K(o=0.022,f=-0.54) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00146 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 67 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.055) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc=-0.00464 K(o=-0.0046,f=-0.62) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0464 K(o=-0.046,f=-0.68) USER MOD Single : A 79 SER OG : rot 96:sc= 1.07 USER MOD Single : A 82 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1) USER MOD Single : A 86 GLN : amide:sc= -0.0898 K(o=-0.09,f=-0.61) USER MOD Single : A 101 MET CE :methyl 163:sc= -3.51! (180deg=-4.17!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.94 F(o=-4.7!,f=-0.94) USER MOD Single : A 108 GLN : amide:sc= -1.7! C(o=-1.7!,f=-6.4!) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 136:sc= 1.13 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 61:sc= 2.65 USER MOD Single : A 127 TYR OH : rot -140:sc= 0.0453 USER MOD Single : A 130 CYS SG : rot 71:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.465 -11.038 -17.698 1.00 0.00 N ATOM 2 CA SER A 1 -4.433 -12.000 -17.266 1.00 0.00 C ATOM 3 C SER A 1 -4.798 -12.603 -15.911 1.00 0.00 C ATOM 4 O SER A 1 -4.968 -13.816 -15.790 1.00 0.00 O ATOM 5 CB SER A 1 -3.063 -11.310 -17.199 1.00 0.00 C ATOM 6 OG SER A 1 -2.028 -12.239 -16.909 1.00 0.00 O ATOM 0 H1 SER A 1 -5.944 -11.401 -18.547 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.161 -10.909 -16.936 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.018 -10.125 -17.917 1.00 0.00 H new ATOM 0 HA SER A 1 -4.380 -12.808 -17.996 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.856 -10.817 -18.149 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.082 -10.534 -16.434 1.00 0.00 H new ATOM 0 HG SER A 1 -1.168 -11.770 -16.875 1.00 0.00 H new ATOM 14 N MET A 2 -4.931 -11.745 -14.896 1.00 0.00 N ATOM 15 CA MET A 2 -5.250 -12.183 -13.536 1.00 0.00 C ATOM 16 C MET A 2 -5.378 -10.976 -12.608 1.00 0.00 C ATOM 17 O MET A 2 -6.226 -10.951 -11.717 1.00 0.00 O ATOM 18 CB MET A 2 -4.182 -13.156 -12.994 1.00 0.00 C ATOM 19 CG MET A 2 -2.776 -12.566 -12.904 1.00 0.00 C ATOM 20 SD MET A 2 -1.559 -13.754 -12.291 1.00 0.00 S ATOM 21 CE MET A 2 -1.574 -14.976 -13.604 1.00 0.00 C ATOM 0 H MET A 2 -4.822 -10.736 -14.993 1.00 0.00 H new ATOM 0 HA MET A 2 -6.203 -12.712 -13.570 1.00 0.00 H new ATOM 0 HB2 MET A 2 -4.485 -13.493 -12.003 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.152 -14.037 -13.635 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.470 -12.214 -13.889 1.00 0.00 H new ATOM 0 HG3 MET A 2 -2.792 -11.697 -12.246 1.00 0.00 H new ATOM 0 HE1 MET A 2 -0.666 -15.577 -13.552 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.444 -15.623 -13.489 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.621 -14.472 -14.569 1.00 0.00 H new ATOM 31 N THR A 3 -4.539 -9.968 -12.834 1.00 0.00 N ATOM 32 CA THR A 3 -4.529 -8.766 -12.007 1.00 0.00 C ATOM 33 C THR A 3 -5.580 -7.762 -12.495 1.00 0.00 C ATOM 34 O THR A 3 -5.258 -6.637 -12.892 1.00 0.00 O ATOM 35 CB THR A 3 -3.122 -8.119 -12.013 1.00 0.00 C ATOM 36 OG1 THR A 3 -2.128 -9.134 -11.803 1.00 0.00 O ATOM 37 CG2 THR A 3 -2.991 -7.053 -10.925 1.00 0.00 C ATOM 0 H THR A 3 -3.853 -9.961 -13.589 1.00 0.00 H new ATOM 0 HA THR A 3 -4.778 -9.052 -10.985 1.00 0.00 H new ATOM 0 HB THR A 3 -2.975 -7.639 -12.981 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.237 -8.726 -11.808 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.991 -6.620 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.731 -6.270 -11.092 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.157 -7.508 -9.948 1.00 0.00 H new ATOM 45 N GLU A 4 -6.841 -8.183 -12.472 1.00 0.00 N ATOM 46 CA GLU A 4 -7.952 -7.337 -12.905 1.00 0.00 C ATOM 47 C GLU A 4 -9.062 -7.317 -11.852 1.00 0.00 C ATOM 48 O GLU A 4 -8.884 -7.842 -10.749 1.00 0.00 O ATOM 49 CB GLU A 4 -8.504 -7.806 -14.262 1.00 0.00 C ATOM 50 CG GLU A 4 -7.555 -7.564 -15.441 1.00 0.00 C ATOM 51 CD GLU A 4 -6.853 -8.824 -15.923 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.456 -9.567 -16.728 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.693 -9.077 -15.522 1.00 0.00 O ATOM 0 H GLU A 4 -7.122 -9.111 -12.156 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.574 -6.322 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.728 -8.871 -14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.446 -7.293 -14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.119 -7.133 -16.268 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.805 -6.829 -15.149 1.00 0.00 H new ATOM 60 N GLU A 5 -10.192 -6.696 -12.210 1.00 0.00 N ATOM 61 CA GLU A 5 -11.340 -6.514 -11.311 1.00 0.00 C ATOM 62 C GLU A 5 -11.028 -5.489 -10.219 1.00 0.00 C ATOM 63 O GLU A 5 -11.591 -4.391 -10.219 1.00 0.00 O ATOM 64 CB GLU A 5 -11.801 -7.840 -10.678 1.00 0.00 C ATOM 65 CG GLU A 5 -12.420 -8.825 -11.663 1.00 0.00 C ATOM 66 CD GLU A 5 -13.058 -10.016 -10.963 1.00 0.00 C ATOM 67 OE1 GLU A 5 -14.108 -9.830 -10.310 1.00 0.00 O ATOM 68 OE2 GLU A 5 -12.508 -11.138 -11.045 1.00 0.00 O ATOM 0 H GLU A 5 -10.338 -6.302 -13.139 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.159 -6.138 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.947 -8.315 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.528 -7.622 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.173 -8.312 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.652 -9.179 -12.351 1.00 0.00 H new ATOM 75 N GLN A 6 -10.118 -5.857 -9.312 1.00 0.00 N ATOM 76 CA GLN A 6 -9.746 -5.023 -8.164 1.00 0.00 C ATOM 77 C GLN A 6 -10.928 -4.828 -7.204 1.00 0.00 C ATOM 78 O GLN A 6 -11.945 -4.233 -7.566 1.00 0.00 O ATOM 79 CB GLN A 6 -9.185 -3.654 -8.606 1.00 0.00 C ATOM 80 CG GLN A 6 -7.736 -3.696 -9.095 1.00 0.00 C ATOM 81 CD GLN A 6 -7.557 -4.364 -10.448 1.00 0.00 C ATOM 82 OE1 GLN A 6 -8.433 -4.306 -11.309 1.00 0.00 O ATOM 83 NE2 GLN A 6 -6.412 -5.001 -10.649 1.00 0.00 N ATOM 0 H GLN A 6 -9.617 -6.744 -9.353 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.956 -5.555 -7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.814 -3.257 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.254 -2.959 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.353 -2.677 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.130 -4.224 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.708 -5.029 -9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.235 -5.463 -11.541 1.00 0.00 H new ATOM 92 N PRO A 7 -10.816 -5.339 -5.959 1.00 0.00 N ATOM 93 CA PRO A 7 -11.849 -5.149 -4.934 1.00 0.00 C ATOM 94 C PRO A 7 -11.844 -3.715 -4.404 1.00 0.00 C ATOM 95 O PRO A 7 -11.466 -3.455 -3.258 1.00 0.00 O ATOM 96 CB PRO A 7 -11.454 -6.157 -3.846 1.00 0.00 C ATOM 97 CG PRO A 7 -9.975 -6.291 -3.983 1.00 0.00 C ATOM 98 CD PRO A 7 -9.678 -6.136 -5.455 1.00 0.00 C ATOM 0 HA PRO A 7 -12.860 -5.308 -5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.730 -5.799 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.955 -7.114 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.458 -5.530 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.635 -7.260 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.728 -5.627 -5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.613 -7.103 -5.955 1.00 0.00 H new ATOM 106 N VAL A 8 -12.266 -2.790 -5.262 1.00 0.00 N ATOM 107 CA VAL A 8 -12.208 -1.360 -4.973 1.00 0.00 C ATOM 108 C VAL A 8 -12.924 -0.998 -3.668 1.00 0.00 C ATOM 109 O VAL A 8 -12.413 -0.221 -2.867 1.00 0.00 O ATOM 110 CB VAL A 8 -12.799 -0.528 -6.141 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.026 -0.782 -7.436 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.282 -0.833 -6.332 1.00 0.00 C ATOM 0 H VAL A 8 -12.658 -3.011 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.153 -1.114 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.699 0.527 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.459 -0.188 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.982 -0.500 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.085 -1.839 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.673 -0.237 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.410 -1.892 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.824 -0.588 -5.419 1.00 0.00 H new ATOM 122 N ALA A 9 -14.091 -1.589 -3.439 1.00 0.00 N ATOM 123 CA ALA A 9 -14.899 -1.254 -2.264 1.00 0.00 C ATOM 124 C ALA A 9 -14.273 -1.804 -0.983 1.00 0.00 C ATOM 125 O ALA A 9 -14.689 -1.454 0.126 1.00 0.00 O ATOM 126 CB ALA A 9 -16.321 -1.778 -2.434 1.00 0.00 C ATOM 0 H ALA A 9 -14.500 -2.299 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.933 -0.168 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.911 -1.522 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.772 -1.326 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.298 -2.861 -2.553 1.00 0.00 H new ATOM 132 N SER A 10 -13.268 -2.659 -1.141 1.00 0.00 N ATOM 133 CA SER A 10 -12.609 -3.295 -0.009 1.00 0.00 C ATOM 134 C SER A 10 -11.415 -2.468 0.480 1.00 0.00 C ATOM 135 O SER A 10 -10.822 -2.782 1.515 1.00 0.00 O ATOM 136 CB SER A 10 -12.156 -4.705 -0.405 1.00 0.00 C ATOM 137 OG SER A 10 -13.231 -5.446 -0.964 1.00 0.00 O ATOM 0 H SER A 10 -12.891 -2.928 -2.050 1.00 0.00 H new ATOM 0 HA SER A 10 -13.322 -3.360 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.341 -4.640 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.767 -5.225 0.470 1.00 0.00 H new ATOM 0 HG SER A 10 -12.965 -6.384 -1.063 1.00 0.00 H new ATOM 143 N TRP A 11 -11.065 -1.410 -0.256 1.00 0.00 N ATOM 144 CA TRP A 11 -9.933 -0.559 0.119 1.00 0.00 C ATOM 145 C TRP A 11 -10.153 0.040 1.505 1.00 0.00 C ATOM 146 O TRP A 11 -9.241 0.075 2.331 1.00 0.00 O ATOM 147 CB TRP A 11 -9.728 0.574 -0.893 1.00 0.00 C ATOM 148 CG TRP A 11 -9.430 0.120 -2.293 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.979 -1.105 -2.699 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.555 0.913 -3.475 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.832 -1.121 -4.066 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.174 0.112 -4.562 1.00 0.00 C ATOM 153 CE3 TRP A 11 -9.958 2.228 -3.712 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.189 0.585 -5.874 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -9.971 2.699 -5.008 1.00 0.00 C ATOM 156 CH2 TRP A 11 -9.589 1.881 -6.078 1.00 0.00 C ATOM 0 H TRP A 11 -11.545 -1.124 -1.109 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.041 -1.186 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.624 1.194 -0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.910 1.206 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.769 -1.937 -2.043 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.520 -1.918 -4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.255 2.867 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -8.896 -0.047 -6.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -10.281 3.715 -5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.610 2.278 -7.082 1.00 0.00 H new ATOM 167 N ALA A 12 -11.384 0.483 1.760 1.00 0.00 N ATOM 168 CA ALA A 12 -11.731 1.128 3.025 1.00 0.00 C ATOM 169 C ALA A 12 -11.756 0.133 4.190 1.00 0.00 C ATOM 170 O ALA A 12 -12.096 0.499 5.318 1.00 0.00 O ATOM 171 CB ALA A 12 -13.077 1.834 2.905 1.00 0.00 C ATOM 0 H ALA A 12 -12.161 0.406 1.103 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.956 1.863 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.324 2.310 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.022 2.591 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.848 1.106 2.653 1.00 0.00 H new ATOM 177 N LEU A 13 -11.401 -1.120 3.920 1.00 0.00 N ATOM 178 CA LEU A 13 -11.344 -2.143 4.960 1.00 0.00 C ATOM 179 C LEU A 13 -9.931 -2.259 5.535 1.00 0.00 C ATOM 180 O LEU A 13 -9.750 -2.747 6.653 1.00 0.00 O ATOM 181 CB LEU A 13 -11.806 -3.498 4.405 1.00 0.00 C ATOM 182 CG LEU A 13 -13.246 -3.527 3.857 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.598 -4.918 3.332 1.00 0.00 C ATOM 184 CD2 LEU A 13 -14.243 -3.086 4.927 1.00 0.00 C ATOM 0 H LEU A 13 -11.148 -1.452 2.989 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.017 -1.846 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.125 -3.797 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.720 -4.244 5.195 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.306 -2.824 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.619 -4.915 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.911 -5.189 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.515 -5.644 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.253 -3.114 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.180 -3.758 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.009 -2.070 5.246 1.00 0.00 H new ATOM 196 N SER A 14 -8.936 -1.797 4.776 1.00 0.00 N ATOM 197 CA SER A 14 -7.539 -1.870 5.201 1.00 0.00 C ATOM 198 C SER A 14 -6.635 -1.114 4.231 1.00 0.00 C ATOM 199 O SER A 14 -6.785 -1.222 3.010 1.00 0.00 O ATOM 200 CB SER A 14 -7.082 -3.332 5.308 1.00 0.00 C ATOM 201 OG SER A 14 -5.717 -3.428 5.693 1.00 0.00 O ATOM 0 H SER A 14 -9.073 -1.367 3.861 1.00 0.00 H new ATOM 0 HA SER A 14 -7.464 -1.403 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.703 -3.855 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.226 -3.830 4.349 1.00 0.00 H new ATOM 0 HG SER A 14 -5.460 -4.372 5.753 1.00 0.00 H new ATOM 207 N PHE A 15 -5.686 -0.363 4.787 1.00 0.00 N ATOM 208 CA PHE A 15 -4.720 0.393 3.992 1.00 0.00 C ATOM 209 C PHE A 15 -3.941 -0.550 3.083 1.00 0.00 C ATOM 210 O PHE A 15 -3.688 -0.241 1.923 1.00 0.00 O ATOM 211 CB PHE A 15 -3.765 1.169 4.911 1.00 0.00 C ATOM 212 CG PHE A 15 -2.791 2.068 4.182 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.215 2.866 3.125 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.459 2.129 4.564 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.330 3.700 2.470 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.572 2.961 3.910 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.008 3.748 2.862 1.00 0.00 C ATOM 0 H PHE A 15 -5.565 -0.262 5.795 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.257 1.110 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.354 1.775 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.202 0.457 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.248 2.833 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.111 1.518 5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.673 4.315 1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.463 2.996 4.218 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.315 4.400 2.350 1.00 0.00 H new ATOM 227 N GLU A 16 -3.574 -1.701 3.633 1.00 0.00 N ATOM 228 CA GLU A 16 -2.920 -2.768 2.882 1.00 0.00 C ATOM 229 C GLU A 16 -3.699 -3.090 1.602 1.00 0.00 C ATOM 230 O GLU A 16 -3.114 -3.245 0.536 1.00 0.00 O ATOM 231 CB GLU A 16 -2.810 -4.022 3.764 1.00 0.00 C ATOM 232 CG GLU A 16 -2.018 -5.168 3.139 1.00 0.00 C ATOM 233 CD GLU A 16 -2.061 -6.434 3.983 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.327 -6.508 4.994 1.00 0.00 O ATOM 235 OE2 GLU A 16 -2.839 -7.357 3.647 1.00 0.00 O ATOM 0 H GLU A 16 -3.722 -1.923 4.618 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.922 -2.435 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.342 -3.746 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.814 -4.376 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.416 -5.382 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.981 -4.859 3.006 1.00 0.00 H new ATOM 242 N ARG A 17 -5.024 -3.163 1.715 1.00 0.00 N ATOM 243 CA ARG A 17 -5.884 -3.506 0.577 1.00 0.00 C ATOM 244 C ARG A 17 -5.891 -2.381 -0.460 1.00 0.00 C ATOM 245 O ARG A 17 -5.957 -2.633 -1.662 1.00 0.00 O ATOM 246 CB ARG A 17 -7.311 -3.802 1.066 1.00 0.00 C ATOM 247 CG ARG A 17 -8.316 -4.159 -0.035 1.00 0.00 C ATOM 248 CD ARG A 17 -7.883 -5.368 -0.867 1.00 0.00 C ATOM 249 NE ARG A 17 -7.243 -4.975 -2.126 1.00 0.00 N ATOM 250 CZ ARG A 17 -6.570 -5.808 -2.923 1.00 0.00 C ATOM 251 NH1 ARG A 17 -6.394 -7.077 -2.575 1.00 0.00 N ATOM 252 NH2 ARG A 17 -6.099 -5.376 -4.083 1.00 0.00 N ATOM 0 H ARG A 17 -5.529 -2.989 2.584 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.485 -4.400 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.270 -4.625 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.681 -2.930 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.286 -4.365 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.447 -3.300 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.192 -5.978 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.753 -5.989 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.317 -3.999 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.774 -7.421 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.879 -7.708 -3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.251 -4.408 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.585 -6.011 -4.693 1.00 0.00 H new ATOM 266 N LEU A 18 -5.831 -1.142 0.016 1.00 0.00 N ATOM 267 CA LEU A 18 -5.758 0.027 -0.862 1.00 0.00 C ATOM 268 C LEU A 18 -4.384 0.118 -1.522 1.00 0.00 C ATOM 269 O LEU A 18 -4.257 0.421 -2.709 1.00 0.00 O ATOM 270 CB LEU A 18 -6.016 1.310 -0.051 1.00 0.00 C ATOM 271 CG LEU A 18 -5.778 2.632 -0.810 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.825 2.835 -1.901 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.752 3.819 0.153 1.00 0.00 C ATOM 0 H LEU A 18 -5.831 -0.918 1.011 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.518 -0.078 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.047 1.295 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.376 1.297 0.831 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.802 2.570 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.633 3.774 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.774 2.011 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.818 2.865 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.583 4.738 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.706 3.884 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.949 3.682 0.877 1.00 0.00 H new ATOM 285 N LEU A 19 -3.365 -0.176 -0.731 1.00 0.00 N ATOM 286 CA LEU A 19 -1.983 0.083 -1.104 1.00 0.00 C ATOM 287 C LEU A 19 -1.403 -1.068 -1.931 1.00 0.00 C ATOM 288 O LEU A 19 -0.477 -0.872 -2.715 1.00 0.00 O ATOM 289 CB LEU A 19 -1.165 0.324 0.173 1.00 0.00 C ATOM 290 CG LEU A 19 0.237 0.901 -0.039 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.172 2.215 -0.816 1.00 0.00 C ATOM 292 CD2 LEU A 19 0.941 1.108 1.296 1.00 0.00 C ATOM 0 H LEU A 19 -3.473 -0.602 0.190 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.939 0.971 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.724 1.002 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.072 -0.621 0.708 1.00 0.00 H new ATOM 0 HG LEU A 19 0.812 0.184 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.180 2.606 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.286 2.040 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.424 2.938 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.936 1.519 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.364 1.801 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.028 0.153 1.813 1.00 0.00 H new ATOM 304 N GLN A 20 -1.964 -2.264 -1.756 1.00 0.00 N ATOM 305 CA GLN A 20 -1.555 -3.440 -2.531 1.00 0.00 C ATOM 306 C GLN A 20 -2.436 -3.591 -3.769 1.00 0.00 C ATOM 307 O GLN A 20 -2.441 -4.640 -4.422 1.00 0.00 O ATOM 308 CB GLN A 20 -1.647 -4.712 -1.668 1.00 0.00 C ATOM 309 CG GLN A 20 -0.591 -4.801 -0.571 1.00 0.00 C ATOM 310 CD GLN A 20 0.814 -4.967 -1.124 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.010 -5.560 -2.186 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.797 -4.452 -0.405 1.00 0.00 N ATOM 0 H GLN A 20 -2.707 -2.447 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.521 -3.301 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.635 -4.756 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.557 -5.584 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.632 -3.900 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.822 -5.642 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.590 -3.969 0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.762 -4.538 -0.724 1.00 0.00 H new ATOM 321 N ASP A 21 -3.181 -2.539 -4.089 1.00 0.00 N ATOM 322 CA ASP A 21 -4.114 -2.567 -5.211 1.00 0.00 C ATOM 323 C ASP A 21 -3.598 -1.692 -6.354 1.00 0.00 C ATOM 324 O ASP A 21 -3.184 -0.555 -6.125 1.00 0.00 O ATOM 325 CB ASP A 21 -5.495 -2.078 -4.761 1.00 0.00 C ATOM 326 CG ASP A 21 -6.580 -2.396 -5.776 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.662 -1.701 -6.809 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.348 -3.354 -5.538 1.00 0.00 O ATOM 0 H ASP A 21 -3.157 -1.652 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.199 -3.594 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.748 -2.539 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.460 -1.001 -4.595 1.00 0.00 H new ATOM 333 N PRO A 22 -3.607 -2.211 -7.598 1.00 0.00 N ATOM 334 CA PRO A 22 -3.171 -1.450 -8.776 1.00 0.00 C ATOM 335 C PRO A 22 -3.948 -0.143 -8.945 1.00 0.00 C ATOM 336 O PRO A 22 -3.352 0.928 -9.083 1.00 0.00 O ATOM 337 CB PRO A 22 -3.449 -2.405 -9.949 1.00 0.00 C ATOM 338 CG PRO A 22 -3.455 -3.762 -9.335 1.00 0.00 C ATOM 339 CD PRO A 22 -4.026 -3.580 -7.956 1.00 0.00 C ATOM 0 HA PRO A 22 -2.126 -1.148 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.404 -2.181 -10.425 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.682 -2.321 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.059 -4.455 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.448 -4.176 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.111 -3.683 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.633 -4.318 -7.256 1.00 0.00 H new ATOM 347 N LEU A 23 -5.276 -0.233 -8.918 1.00 0.00 N ATOM 348 CA LEU A 23 -6.128 0.939 -9.100 1.00 0.00 C ATOM 349 C LEU A 23 -6.122 1.782 -7.833 1.00 0.00 C ATOM 350 O LEU A 23 -6.133 3.016 -7.888 1.00 0.00 O ATOM 351 CB LEU A 23 -7.563 0.519 -9.456 1.00 0.00 C ATOM 352 CG LEU A 23 -7.716 -0.241 -10.786 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.178 -0.600 -11.041 1.00 0.00 C ATOM 354 CD2 LEU A 23 -7.148 0.576 -11.946 1.00 0.00 C ATOM 0 H LEU A 23 -5.785 -1.105 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.734 1.532 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.951 -0.107 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.187 1.412 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.147 -1.168 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.261 -1.136 -11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.544 -1.232 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.774 0.312 -11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.267 0.019 -12.876 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.682 1.523 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.089 0.769 -11.771 1.00 0.00 H new ATOM 366 N GLY A 24 -6.086 1.098 -6.694 1.00 0.00 N ATOM 367 CA GLY A 24 -6.031 1.763 -5.411 1.00 0.00 C ATOM 368 C GLY A 24 -4.853 2.702 -5.316 1.00 0.00 C ATOM 369 O GLY A 24 -5.027 3.912 -5.190 1.00 0.00 O ATOM 0 H GLY A 24 -6.094 0.079 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.954 2.320 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.967 1.018 -4.618 1.00 0.00 H new ATOM 373 N LEU A 25 -3.654 2.142 -5.418 1.00 0.00 N ATOM 374 CA LEU A 25 -2.423 2.919 -5.328 1.00 0.00 C ATOM 375 C LEU A 25 -2.371 3.969 -6.444 1.00 0.00 C ATOM 376 O LEU A 25 -1.850 5.064 -6.246 1.00 0.00 O ATOM 377 CB LEU A 25 -1.194 1.987 -5.406 1.00 0.00 C ATOM 378 CG LEU A 25 -0.031 2.322 -4.450 1.00 0.00 C ATOM 379 CD1 LEU A 25 1.137 1.365 -4.666 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.427 3.773 -4.608 1.00 0.00 C ATOM 0 H LEU A 25 -3.507 1.143 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.407 3.435 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.522 0.967 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.815 2.003 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.398 2.200 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.947 1.619 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.809 0.343 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.491 1.449 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.247 3.973 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.764 3.939 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.404 4.443 -4.387 1.00 0.00 H new ATOM 392 N ALA A 26 -2.931 3.634 -7.607 1.00 0.00 N ATOM 393 CA ALA A 26 -2.922 4.536 -8.760 1.00 0.00 C ATOM 394 C ALA A 26 -3.672 5.837 -8.457 1.00 0.00 C ATOM 395 O ALA A 26 -3.124 6.934 -8.600 1.00 0.00 O ATOM 396 CB ALA A 26 -3.529 3.850 -9.979 1.00 0.00 C ATOM 0 H ALA A 26 -3.398 2.743 -7.776 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.884 4.788 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.514 4.535 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.949 2.960 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.558 3.565 -9.761 1.00 0.00 H new ATOM 402 N TYR A 27 -4.925 5.710 -8.039 1.00 0.00 N ATOM 403 CA TYR A 27 -5.748 6.877 -7.726 1.00 0.00 C ATOM 404 C TYR A 27 -5.340 7.479 -6.385 1.00 0.00 C ATOM 405 O TYR A 27 -5.504 8.679 -6.156 1.00 0.00 O ATOM 406 CB TYR A 27 -7.238 6.502 -7.735 1.00 0.00 C ATOM 407 CG TYR A 27 -7.782 6.262 -9.133 1.00 0.00 C ATOM 408 CD1 TYR A 27 -7.522 5.075 -9.813 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.543 7.231 -9.780 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.004 4.862 -11.091 1.00 0.00 C ATOM 411 CE2 TYR A 27 -9.025 7.024 -11.058 1.00 0.00 C ATOM 412 CZ TYR A 27 -8.755 5.841 -11.709 1.00 0.00 C ATOM 413 OH TYR A 27 -9.228 5.640 -12.989 1.00 0.00 O ATOM 0 H TYR A 27 -5.395 4.814 -7.908 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.585 7.632 -8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.384 5.604 -7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.810 7.299 -7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.933 4.307 -9.333 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.760 8.160 -9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.794 3.935 -11.603 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.612 7.788 -11.545 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.739 6.426 -13.276 1.00 0.00 H new ATOM 423 N PHE A 28 -4.786 6.642 -5.515 1.00 0.00 N ATOM 424 CA PHE A 28 -4.297 7.092 -4.217 1.00 0.00 C ATOM 425 C PHE A 28 -3.115 8.043 -4.398 1.00 0.00 C ATOM 426 O PHE A 28 -3.103 9.134 -3.834 1.00 0.00 O ATOM 427 CB PHE A 28 -3.902 5.885 -3.351 1.00 0.00 C ATOM 428 CG PHE A 28 -3.340 6.236 -1.996 1.00 0.00 C ATOM 429 CD1 PHE A 28 -3.990 7.142 -1.170 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.166 5.650 -1.545 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.478 7.458 0.073 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.653 5.959 -0.303 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.310 6.864 0.507 1.00 0.00 C ATOM 0 H PHE A 28 -4.664 5.644 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.094 7.632 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.779 5.253 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.164 5.293 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.907 7.605 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.647 4.943 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.991 8.169 0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.739 5.494 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.910 7.107 1.480 1.00 0.00 H new ATOM 443 N THR A 29 -2.137 7.640 -5.210 1.00 0.00 N ATOM 444 CA THR A 29 -0.958 8.467 -5.458 1.00 0.00 C ATOM 445 C THR A 29 -1.340 9.717 -6.255 1.00 0.00 C ATOM 446 O THR A 29 -0.669 10.745 -6.168 1.00 0.00 O ATOM 447 CB THR A 29 0.160 7.685 -6.202 1.00 0.00 C ATOM 448 OG1 THR A 29 1.367 8.461 -6.252 1.00 0.00 O ATOM 449 CG2 THR A 29 -0.256 7.323 -7.625 1.00 0.00 C ATOM 0 H THR A 29 -2.139 6.748 -5.705 1.00 0.00 H new ATOM 0 HA THR A 29 -0.563 8.763 -4.486 1.00 0.00 H new ATOM 0 HB THR A 29 0.333 6.764 -5.644 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.062 7.955 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.552 6.777 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.149 6.699 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.468 8.234 -8.185 1.00 0.00 H new ATOM 457 N GLU A 30 -2.421 9.614 -7.030 1.00 0.00 N ATOM 458 CA GLU A 30 -2.946 10.750 -7.783 1.00 0.00 C ATOM 459 C GLU A 30 -3.450 11.817 -6.807 1.00 0.00 C ATOM 460 O GLU A 30 -3.029 12.977 -6.852 1.00 0.00 O ATOM 461 CB GLU A 30 -4.083 10.276 -8.713 1.00 0.00 C ATOM 462 CG GLU A 30 -4.390 11.197 -9.899 1.00 0.00 C ATOM 463 CD GLU A 30 -4.933 12.565 -9.502 1.00 0.00 C ATOM 464 OE1 GLU A 30 -6.045 12.632 -8.943 1.00 0.00 O ATOM 465 OE2 GLU A 30 -4.261 13.585 -9.773 1.00 0.00 O ATOM 0 H GLU A 30 -2.951 8.751 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.157 11.184 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.827 9.289 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.990 10.161 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.480 11.335 -10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.114 10.705 -10.549 1.00 0.00 H new ATOM 472 N PHE A 31 -4.331 11.401 -5.902 1.00 0.00 N ATOM 473 CA PHE A 31 -4.934 12.309 -4.930 1.00 0.00 C ATOM 474 C PHE A 31 -3.899 12.758 -3.892 1.00 0.00 C ATOM 475 O PHE A 31 -3.977 13.864 -3.357 1.00 0.00 O ATOM 476 CB PHE A 31 -6.128 11.623 -4.244 1.00 0.00 C ATOM 477 CG PHE A 31 -7.003 12.563 -3.448 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.948 13.355 -4.087 1.00 0.00 C ATOM 479 CD2 PHE A 31 -6.880 12.659 -2.069 1.00 0.00 C ATOM 480 CE1 PHE A 31 -8.751 14.219 -3.367 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.682 13.523 -1.346 1.00 0.00 C ATOM 482 CZ PHE A 31 -8.617 14.303 -1.996 1.00 0.00 C ATOM 0 H PHE A 31 -4.645 10.434 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.291 13.196 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.737 11.132 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.754 10.843 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.057 13.295 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.150 12.052 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.483 14.828 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.577 13.587 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.243 14.979 -1.432 1.00 0.00 H new ATOM 492 N LEU A 32 -2.924 11.893 -3.635 1.00 0.00 N ATOM 493 CA LEU A 32 -1.856 12.158 -2.663 1.00 0.00 C ATOM 494 C LEU A 32 -0.706 12.945 -3.313 1.00 0.00 C ATOM 495 O LEU A 32 0.373 13.101 -2.741 1.00 0.00 O ATOM 496 CB LEU A 32 -1.378 10.809 -2.079 1.00 0.00 C ATOM 497 CG LEU A 32 -0.151 10.833 -1.147 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.340 11.795 0.019 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.157 9.427 -0.640 1.00 0.00 C ATOM 0 H LEU A 32 -2.847 10.985 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.234 12.779 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.209 10.367 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.155 10.142 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 32 0.697 11.194 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.548 11.780 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.497 12.804 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.207 11.490 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.026 9.459 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.701 9.043 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.366 8.773 -1.486 1.00 0.00 H new ATOM 511 N LYS A 33 -0.938 13.449 -4.517 1.00 0.00 N ATOM 512 CA LYS A 33 0.050 14.287 -5.194 1.00 0.00 C ATOM 513 C LYS A 33 -0.438 15.734 -5.268 1.00 0.00 C ATOM 514 O LYS A 33 0.300 16.629 -5.680 1.00 0.00 O ATOM 515 CB LYS A 33 0.333 13.738 -6.600 1.00 0.00 C ATOM 516 CG LYS A 33 1.457 14.463 -7.340 1.00 0.00 C ATOM 517 CD LYS A 33 1.712 13.858 -8.719 1.00 0.00 C ATOM 518 CE LYS A 33 2.198 12.413 -8.629 1.00 0.00 C ATOM 519 NZ LYS A 33 2.361 11.796 -9.973 1.00 0.00 N ATOM 0 H LYS A 33 -1.797 13.295 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 33 0.977 14.269 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.588 12.681 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.579 13.803 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.201 15.517 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.371 14.416 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.795 13.896 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.454 14.458 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.150 12.383 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.488 11.827 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.692 10.816 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.448 11.801 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.057 12.339 -10.522 1.00 0.00 H new ATOM 533 N LYS A 34 -1.674 15.965 -4.829 1.00 0.00 N ATOM 534 CA LYS A 34 -2.303 17.279 -4.960 1.00 0.00 C ATOM 535 C LYS A 34 -1.722 18.272 -3.951 1.00 0.00 C ATOM 536 O LYS A 34 -1.474 19.430 -4.286 1.00 0.00 O ATOM 537 CB LYS A 34 -3.824 17.157 -4.814 1.00 0.00 C ATOM 538 CG LYS A 34 -4.434 16.180 -5.816 1.00 0.00 C ATOM 539 CD LYS A 34 -5.956 16.244 -5.846 1.00 0.00 C ATOM 540 CE LYS A 34 -6.542 15.216 -6.809 1.00 0.00 C ATOM 541 NZ LYS A 34 -5.952 15.316 -8.171 1.00 0.00 N ATOM 0 H LYS A 34 -2.259 15.261 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.088 17.667 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.063 16.830 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.278 18.139 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.045 16.396 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.122 15.166 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.348 16.070 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.273 17.244 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.372 14.214 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.621 15.355 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.417 14.632 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.091 16.278 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.934 15.107 -8.125 1.00 0.00 H new ATOM 555 N GLU A 35 -1.504 17.818 -2.720 1.00 0.00 N ATOM 556 CA GLU A 35 -0.787 18.623 -1.722 1.00 0.00 C ATOM 557 C GLU A 35 0.716 18.375 -1.873 1.00 0.00 C ATOM 558 O GLU A 35 1.542 19.038 -1.240 1.00 0.00 O ATOM 559 CB GLU A 35 -1.255 18.291 -0.289 1.00 0.00 C ATOM 560 CG GLU A 35 -0.768 16.946 0.253 1.00 0.00 C ATOM 561 CD GLU A 35 -1.077 15.789 -0.679 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.256 15.400 -0.779 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.145 15.290 -1.337 1.00 0.00 O ATOM 0 H GLU A 35 -1.809 16.904 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.004 19.677 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.915 19.081 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.345 18.302 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.308 16.995 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.232 16.760 1.222 1.00 0.00 H new ATOM 570 N PHE A 36 1.028 17.393 -2.719 1.00 0.00 N ATOM 571 CA PHE A 36 2.391 17.027 -3.083 1.00 0.00 C ATOM 572 C PHE A 36 3.112 16.321 -1.933 1.00 0.00 C ATOM 573 O PHE A 36 3.931 16.919 -1.232 1.00 0.00 O ATOM 574 CB PHE A 36 3.193 18.248 -3.575 1.00 0.00 C ATOM 575 CG PHE A 36 4.527 17.883 -4.185 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.598 17.389 -5.479 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.704 18.019 -3.461 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.812 17.041 -6.039 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.920 17.669 -4.015 1.00 0.00 C ATOM 580 CZ PHE A 36 6.974 17.181 -5.305 1.00 0.00 C ATOM 0 H PHE A 36 0.322 16.819 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 36 2.323 16.321 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.601 18.790 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.358 18.927 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.692 17.275 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.668 18.403 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.853 16.660 -7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.827 17.777 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.924 16.909 -5.740 1.00 0.00 H new ATOM 590 N SER A 37 2.764 15.052 -1.716 1.00 0.00 N ATOM 591 CA SER A 37 3.513 14.201 -0.794 1.00 0.00 C ATOM 592 C SER A 37 3.479 12.737 -1.249 1.00 0.00 C ATOM 593 O SER A 37 3.970 11.850 -0.551 1.00 0.00 O ATOM 594 CB SER A 37 2.960 14.350 0.633 1.00 0.00 C ATOM 595 OG SER A 37 1.562 14.113 0.681 1.00 0.00 O ATOM 0 H SER A 37 1.971 14.593 -2.165 1.00 0.00 H new ATOM 0 HA SER A 37 4.555 14.522 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.471 13.652 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.172 15.353 1.003 1.00 0.00 H new ATOM 0 HG SER A 37 1.110 14.688 0.029 1.00 0.00 H new ATOM 601 N ALA A 38 2.946 12.508 -2.454 1.00 0.00 N ATOM 602 CA ALA A 38 2.747 11.157 -2.999 1.00 0.00 C ATOM 603 C ALA A 38 4.014 10.317 -2.966 1.00 0.00 C ATOM 604 O ALA A 38 3.955 9.093 -2.866 1.00 0.00 O ATOM 605 CB ALA A 38 2.225 11.240 -4.429 1.00 0.00 C ATOM 0 H ALA A 38 2.640 13.253 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 38 2.014 10.664 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.081 10.234 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.274 11.773 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.946 11.773 -5.049 1.00 0.00 H new ATOM 611 N GLU A 39 5.154 10.978 -3.012 1.00 0.00 N ATOM 612 CA GLU A 39 6.429 10.283 -3.166 1.00 0.00 C ATOM 613 C GLU A 39 6.781 9.444 -1.939 1.00 0.00 C ATOM 614 O GLU A 39 7.720 8.649 -1.975 1.00 0.00 O ATOM 615 CB GLU A 39 7.545 11.272 -3.506 1.00 0.00 C ATOM 616 CG GLU A 39 7.449 11.792 -4.941 1.00 0.00 C ATOM 617 CD GLU A 39 8.641 12.633 -5.372 1.00 0.00 C ATOM 618 OE1 GLU A 39 8.602 13.865 -5.184 1.00 0.00 O ATOM 619 OE2 GLU A 39 9.604 12.066 -5.932 1.00 0.00 O ATOM 0 H GLU A 39 5.230 11.993 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 39 6.323 9.588 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.504 12.113 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.511 10.788 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.351 10.944 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.541 12.387 -5.042 1.00 0.00 H new ATOM 626 N ASN A 40 6.015 9.600 -0.862 1.00 0.00 N ATOM 627 CA ASN A 40 6.199 8.757 0.319 1.00 0.00 C ATOM 628 C ASN A 40 5.818 7.312 -0.017 1.00 0.00 C ATOM 629 O ASN A 40 6.539 6.376 0.329 1.00 0.00 O ATOM 630 CB ASN A 40 5.391 9.274 1.530 1.00 0.00 C ATOM 631 CG ASN A 40 3.915 8.894 1.504 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.527 7.835 1.991 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.078 9.760 0.960 1.00 0.00 N ATOM 0 H ASN A 40 5.270 10.292 -0.781 1.00 0.00 H new ATOM 0 HA ASN A 40 7.251 8.795 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.839 8.885 2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.474 10.360 1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.079 9.557 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.431 10.631 0.564 1.00 0.00 H new ATOM 640 N VAL A 41 4.705 7.139 -0.734 1.00 0.00 N ATOM 641 CA VAL A 41 4.261 5.805 -1.136 1.00 0.00 C ATOM 642 C VAL A 41 5.054 5.330 -2.348 1.00 0.00 C ATOM 643 O VAL A 41 5.100 4.135 -2.644 1.00 0.00 O ATOM 644 CB VAL A 41 2.740 5.742 -1.441 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.930 6.168 -0.220 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.377 6.590 -2.659 1.00 0.00 C ATOM 0 H VAL A 41 4.100 7.899 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 41 4.445 5.143 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 41 2.490 4.708 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.866 6.117 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.151 5.502 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.193 7.190 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.305 6.522 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.648 7.629 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.919 6.224 -3.531 1.00 0.00 H new ATOM 656 N THR A 42 5.672 6.273 -3.051 1.00 0.00 N ATOM 657 CA THR A 42 6.585 5.940 -4.133 1.00 0.00 C ATOM 658 C THR A 42 7.841 5.287 -3.556 1.00 0.00 C ATOM 659 O THR A 42 8.357 4.313 -4.102 1.00 0.00 O ATOM 660 CB THR A 42 6.963 7.191 -4.953 1.00 0.00 C ATOM 661 OG1 THR A 42 5.768 7.890 -5.332 1.00 0.00 O ATOM 662 CG2 THR A 42 7.756 6.818 -6.203 1.00 0.00 C ATOM 0 H THR A 42 5.556 7.273 -2.889 1.00 0.00 H new ATOM 0 HA THR A 42 6.085 5.242 -4.805 1.00 0.00 H new ATOM 0 HB THR A 42 7.591 7.830 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.990 8.590 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.006 7.722 -6.758 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.673 6.305 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.156 6.161 -6.832 1.00 0.00 H new ATOM 670 N PHE A 43 8.309 5.827 -2.428 1.00 0.00 N ATOM 671 CA PHE A 43 9.410 5.232 -1.675 1.00 0.00 C ATOM 672 C PHE A 43 9.038 3.809 -1.256 1.00 0.00 C ATOM 673 O PHE A 43 9.834 2.876 -1.383 1.00 0.00 O ATOM 674 CB PHE A 43 9.719 6.098 -0.438 1.00 0.00 C ATOM 675 CG PHE A 43 10.820 5.561 0.448 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.146 5.895 0.212 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.528 4.726 1.521 1.00 0.00 C ATOM 678 CE1 PHE A 43 13.155 5.409 1.024 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.533 4.239 2.335 1.00 0.00 C ATOM 680 CZ PHE A 43 12.848 4.581 2.085 1.00 0.00 C ATOM 0 H PHE A 43 7.937 6.682 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 43 10.300 5.189 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.994 7.099 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.810 6.198 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.393 6.543 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.502 4.454 1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.183 5.677 0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.291 3.592 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.635 4.201 2.719 1.00 0.00 H new ATOM 690 N TRP A 44 7.806 3.664 -0.771 1.00 0.00 N ATOM 691 CA TRP A 44 7.278 2.374 -0.337 1.00 0.00 C ATOM 692 C TRP A 44 7.283 1.363 -1.491 1.00 0.00 C ATOM 693 O TRP A 44 7.924 0.313 -1.404 1.00 0.00 O ATOM 694 CB TRP A 44 5.853 2.558 0.216 1.00 0.00 C ATOM 695 CG TRP A 44 5.194 1.282 0.660 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.277 0.695 1.892 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.343 0.440 -0.126 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.542 -0.465 1.913 1.00 0.00 N ATOM 699 CE2 TRP A 44 3.958 -0.642 0.686 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.876 0.494 -1.441 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.127 -1.659 0.224 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.050 -0.512 -1.898 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.684 -1.577 -1.067 1.00 0.00 C ATOM 0 H TRP A 44 7.148 4.436 -0.668 1.00 0.00 H new ATOM 0 HA TRP A 44 7.919 1.981 0.452 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.889 3.248 1.059 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.235 3.025 -0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.839 1.087 2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.446 -1.092 2.712 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.157 1.310 -2.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.843 -2.483 0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.680 -0.477 -2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.038 -2.351 -1.454 1.00 0.00 H new ATOM 714 N LYS A 45 6.584 1.698 -2.578 1.00 0.00 N ATOM 715 CA LYS A 45 6.437 0.789 -3.718 1.00 0.00 C ATOM 716 C LYS A 45 7.798 0.454 -4.325 1.00 0.00 C ATOM 717 O LYS A 45 8.050 -0.687 -4.718 1.00 0.00 O ATOM 718 CB LYS A 45 5.513 1.393 -4.795 1.00 0.00 C ATOM 719 CG LYS A 45 6.084 2.636 -5.475 1.00 0.00 C ATOM 720 CD LYS A 45 5.176 3.173 -6.581 1.00 0.00 C ATOM 721 CE LYS A 45 3.835 3.662 -6.044 1.00 0.00 C ATOM 722 NZ LYS A 45 3.001 4.265 -7.118 1.00 0.00 N ATOM 0 H LYS A 45 6.110 2.594 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 45 5.982 -0.130 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.312 0.636 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.557 1.648 -4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.239 3.415 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.061 2.398 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.679 3.992 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.005 2.390 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.298 2.829 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.004 4.398 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.354 4.965 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.616 4.732 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.449 3.520 -7.589 1.00 0.00 H new ATOM 736 N ALA A 46 8.677 1.454 -4.389 1.00 0.00 N ATOM 737 CA ALA A 46 10.014 1.267 -4.939 1.00 0.00 C ATOM 738 C ALA A 46 10.782 0.244 -4.115 1.00 0.00 C ATOM 739 O ALA A 46 11.453 -0.629 -4.661 1.00 0.00 O ATOM 740 CB ALA A 46 10.769 2.593 -4.986 1.00 0.00 C ATOM 0 H ALA A 46 8.484 2.402 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 46 9.920 0.894 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.764 2.431 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.226 3.299 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.857 2.998 -3.978 1.00 0.00 H new ATOM 746 N CYS A 47 10.652 0.347 -2.797 1.00 0.00 N ATOM 747 CA CYS A 47 11.330 -0.558 -1.880 1.00 0.00 C ATOM 748 C CYS A 47 10.752 -1.972 -1.972 1.00 0.00 C ATOM 749 O CYS A 47 11.497 -2.955 -1.971 1.00 0.00 O ATOM 750 CB CYS A 47 11.223 -0.038 -0.443 1.00 0.00 C ATOM 751 SG CYS A 47 11.932 -1.148 0.794 1.00 0.00 S ATOM 0 H CYS A 47 10.078 1.055 -2.338 1.00 0.00 H new ATOM 0 HA CYS A 47 12.381 -0.601 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.723 0.928 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.173 0.131 -0.206 1.00 0.00 H new ATOM 0 HG CYS A 47 11.041 -2.024 1.152 1.00 0.00 H new ATOM 757 N GLU A 48 9.428 -2.077 -2.068 1.00 0.00 N ATOM 758 CA GLU A 48 8.776 -3.384 -2.111 1.00 0.00 C ATOM 759 C GLU A 48 9.049 -4.083 -3.442 1.00 0.00 C ATOM 760 O GLU A 48 9.054 -5.315 -3.524 1.00 0.00 O ATOM 761 CB GLU A 48 7.268 -3.261 -1.854 1.00 0.00 C ATOM 762 CG GLU A 48 6.572 -4.612 -1.725 1.00 0.00 C ATOM 763 CD GLU A 48 5.137 -4.505 -1.243 1.00 0.00 C ATOM 764 OE1 GLU A 48 4.245 -4.251 -2.075 1.00 0.00 O ATOM 765 OE2 GLU A 48 4.892 -4.703 -0.031 1.00 0.00 O ATOM 0 H GLU A 48 8.791 -1.282 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 48 9.199 -3.995 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.106 -2.687 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.811 -2.700 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.586 -5.114 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.135 -5.238 -1.033 1.00 0.00 H new ATOM 772 N ARG A 49 9.284 -3.292 -4.483 1.00 0.00 N ATOM 773 CA ARG A 49 9.677 -3.828 -5.781 1.00 0.00 C ATOM 774 C ARG A 49 11.193 -4.053 -5.799 1.00 0.00 C ATOM 775 O ARG A 49 11.708 -4.867 -6.566 1.00 0.00 O ATOM 776 CB ARG A 49 9.223 -2.876 -6.908 1.00 0.00 C ATOM 777 CG ARG A 49 9.338 -3.455 -8.325 1.00 0.00 C ATOM 778 CD ARG A 49 10.705 -3.201 -8.952 1.00 0.00 C ATOM 779 NE ARG A 49 10.952 -1.771 -9.146 1.00 0.00 N ATOM 780 CZ ARG A 49 12.154 -1.233 -9.345 1.00 0.00 C ATOM 781 NH1 ARG A 49 13.237 -1.997 -9.387 1.00 0.00 N ATOM 782 NH2 ARG A 49 12.269 0.074 -9.529 1.00 0.00 N ATOM 0 H ARG A 49 9.209 -2.275 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 49 9.189 -4.788 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.186 -2.593 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.816 -1.963 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.151 -4.528 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.565 -3.017 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.482 -3.622 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.767 -3.715 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 49 10.148 -1.143 -9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.154 -3.006 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.153 -1.575 -9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.438 0.666 -9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.188 0.489 -9.682 1.00 0.00 H new ATOM 796 N PHE A 50 11.895 -3.336 -4.926 1.00 0.00 N ATOM 797 CA PHE A 50 13.344 -3.473 -4.779 1.00 0.00 C ATOM 798 C PHE A 50 13.696 -4.804 -4.112 1.00 0.00 C ATOM 799 O PHE A 50 14.645 -5.476 -4.512 1.00 0.00 O ATOM 800 CB PHE A 50 13.898 -2.296 -3.959 1.00 0.00 C ATOM 801 CG PHE A 50 15.385 -2.345 -3.711 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.283 -2.041 -4.723 1.00 0.00 C ATOM 803 CD2 PHE A 50 15.884 -2.689 -2.461 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.646 -2.082 -4.495 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.245 -2.729 -2.231 1.00 0.00 C ATOM 806 CZ PHE A 50 18.128 -2.425 -3.249 1.00 0.00 C ATOM 0 H PHE A 50 11.479 -2.645 -4.302 1.00 0.00 H new ATOM 0 HA PHE A 50 13.800 -3.460 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.660 -1.367 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.384 -2.266 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.913 -1.769 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.200 -2.928 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.334 -1.845 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.619 -2.998 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.193 -2.456 -3.070 1.00 0.00 H new ATOM 816 N GLN A 51 12.912 -5.191 -3.104 1.00 0.00 N ATOM 817 CA GLN A 51 13.155 -6.437 -2.375 1.00 0.00 C ATOM 818 C GLN A 51 12.781 -7.656 -3.226 1.00 0.00 C ATOM 819 O GLN A 51 12.935 -8.799 -2.792 1.00 0.00 O ATOM 820 CB GLN A 51 12.384 -6.458 -1.042 1.00 0.00 C ATOM 821 CG GLN A 51 10.866 -6.449 -1.191 1.00 0.00 C ATOM 822 CD GLN A 51 10.139 -6.542 0.142 1.00 0.00 C ATOM 823 OE1 GLN A 51 8.952 -5.962 0.213 1.00 0.00 O flip ATOM 824 NE2 GLN A 51 10.638 -7.136 1.098 1.00 0.00 N flip ATOM 0 H GLN A 51 12.105 -4.661 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 51 14.221 -6.487 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.676 -7.346 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.684 -5.594 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.562 -5.536 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.563 -7.284 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.556 -7.571 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.134 -7.193 1.983 1.00 0.00 H new ATOM 833 N GLN A 52 12.284 -7.404 -4.437 1.00 0.00 N ATOM 834 CA GLN A 52 11.970 -8.472 -5.381 1.00 0.00 C ATOM 835 C GLN A 52 13.251 -9.010 -6.013 1.00 0.00 C ATOM 836 O GLN A 52 13.272 -10.114 -6.563 1.00 0.00 O ATOM 837 CB GLN A 52 11.016 -7.964 -6.470 1.00 0.00 C ATOM 838 CG GLN A 52 9.668 -7.490 -5.936 1.00 0.00 C ATOM 839 CD GLN A 52 8.876 -8.592 -5.252 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.967 -9.766 -5.619 1.00 0.00 O ATOM 841 NE2 GLN A 52 8.096 -8.221 -4.248 1.00 0.00 N ATOM 0 H GLN A 52 12.090 -6.466 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 52 11.478 -9.280 -4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.494 -7.143 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.849 -8.761 -7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.830 -6.675 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.080 -7.086 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.048 -7.239 -3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.543 -8.917 -3.748 1.00 0.00 H new ATOM 850 N ILE A 53 14.315 -8.217 -5.934 1.00 0.00 N ATOM 851 CA ILE A 53 15.617 -8.613 -6.456 1.00 0.00 C ATOM 852 C ILE A 53 16.194 -9.744 -5.596 1.00 0.00 C ATOM 853 O ILE A 53 16.374 -9.573 -4.390 1.00 0.00 O ATOM 854 CB ILE A 53 16.604 -7.414 -6.481 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.012 -6.246 -7.296 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.959 -7.840 -7.052 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.849 -4.980 -7.264 1.00 0.00 C ATOM 0 H ILE A 53 14.299 -7.289 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 53 15.483 -8.960 -7.480 1.00 0.00 H new ATOM 0 HB ILE A 53 16.759 -7.075 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.893 -6.564 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.016 -6.020 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.635 -6.985 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.382 -8.631 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.826 -8.207 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.364 -4.208 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.947 -4.635 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.838 -5.187 -7.673 1.00 0.00 H new ATOM 869 N PRO A 54 16.504 -10.912 -6.202 1.00 0.00 N ATOM 870 CA PRO A 54 16.968 -12.108 -5.469 1.00 0.00 C ATOM 871 C PRO A 54 18.360 -11.955 -4.832 1.00 0.00 C ATOM 872 O PRO A 54 19.020 -12.956 -4.547 1.00 0.00 O ATOM 873 CB PRO A 54 16.996 -13.211 -6.552 1.00 0.00 C ATOM 874 CG PRO A 54 16.207 -12.664 -7.696 1.00 0.00 C ATOM 875 CD PRO A 54 16.402 -11.176 -7.648 1.00 0.00 C ATOM 0 HA PRO A 54 16.311 -12.319 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.018 -13.440 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.558 -14.138 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.555 -13.074 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.152 -12.924 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.301 -10.868 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.565 -10.643 -8.099 1.00 0.00 H new ATOM 883 N ALA A 55 18.804 -10.710 -4.632 1.00 0.00 N ATOM 884 CA ALA A 55 20.079 -10.404 -3.966 1.00 0.00 C ATOM 885 C ALA A 55 21.295 -10.702 -4.855 1.00 0.00 C ATOM 886 O ALA A 55 22.317 -10.020 -4.755 1.00 0.00 O ATOM 887 CB ALA A 55 20.198 -11.145 -2.634 1.00 0.00 C ATOM 0 H ALA A 55 18.289 -9.881 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 55 20.076 -9.331 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.151 -10.899 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.382 -10.845 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.147 -12.220 -2.810 1.00 0.00 H new ATOM 893 N SER A 56 21.174 -11.714 -5.715 1.00 0.00 N ATOM 894 CA SER A 56 22.265 -12.154 -6.579 1.00 0.00 C ATOM 895 C SER A 56 22.910 -10.985 -7.328 1.00 0.00 C ATOM 896 O SER A 56 24.132 -10.835 -7.321 1.00 0.00 O ATOM 897 CB SER A 56 21.739 -13.185 -7.582 1.00 0.00 C ATOM 898 OG SER A 56 21.029 -14.224 -6.926 1.00 0.00 O ATOM 0 H SER A 56 20.315 -12.251 -5.831 1.00 0.00 H new ATOM 0 HA SER A 56 23.031 -12.603 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.086 -12.694 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.572 -13.608 -8.143 1.00 0.00 H new ATOM 0 HG SER A 56 20.703 -14.867 -7.590 1.00 0.00 H new ATOM 904 N ASP A 57 22.089 -10.156 -7.965 1.00 0.00 N ATOM 905 CA ASP A 57 22.606 -9.055 -8.772 1.00 0.00 C ATOM 906 C ASP A 57 22.820 -7.819 -7.901 1.00 0.00 C ATOM 907 O ASP A 57 21.901 -7.022 -7.691 1.00 0.00 O ATOM 908 CB ASP A 57 21.659 -8.736 -9.939 1.00 0.00 C ATOM 909 CG ASP A 57 22.393 -8.112 -11.118 1.00 0.00 C ATOM 910 OD1 ASP A 57 22.801 -6.935 -11.028 1.00 0.00 O ATOM 911 OD2 ASP A 57 22.585 -8.812 -12.136 1.00 0.00 O ATOM 0 H ASP A 57 21.072 -10.224 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 57 23.565 -9.358 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.164 -9.651 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.879 -8.056 -9.597 1.00 0.00 H new ATOM 916 N THR A 58 24.034 -7.683 -7.376 1.00 0.00 N ATOM 917 CA THR A 58 24.370 -6.589 -6.472 1.00 0.00 C ATOM 918 C THR A 58 24.437 -5.258 -7.226 1.00 0.00 C ATOM 919 O THR A 58 24.179 -4.195 -6.656 1.00 0.00 O ATOM 920 CB THR A 58 25.712 -6.866 -5.760 1.00 0.00 C ATOM 921 OG1 THR A 58 25.694 -8.194 -5.211 1.00 0.00 O ATOM 922 CG2 THR A 58 25.970 -5.858 -4.642 1.00 0.00 C ATOM 0 H THR A 58 24.806 -8.322 -7.563 1.00 0.00 H new ATOM 0 HA THR A 58 23.583 -6.520 -5.721 1.00 0.00 H new ATOM 0 HB THR A 58 26.513 -6.771 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 58 26.545 -8.373 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.923 -6.083 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.002 -4.852 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.169 -5.919 -3.905 1.00 0.00 H new ATOM 930 N GLN A 59 24.763 -5.333 -8.512 1.00 0.00 N ATOM 931 CA GLN A 59 24.826 -4.149 -9.361 1.00 0.00 C ATOM 932 C GLN A 59 23.440 -3.520 -9.499 1.00 0.00 C ATOM 933 O GLN A 59 23.271 -2.317 -9.292 1.00 0.00 O ATOM 934 CB GLN A 59 25.384 -4.513 -10.741 1.00 0.00 C ATOM 935 CG GLN A 59 26.808 -5.058 -10.702 1.00 0.00 C ATOM 936 CD GLN A 59 27.343 -5.411 -12.078 1.00 0.00 C ATOM 937 OE1 GLN A 59 26.973 -4.798 -13.081 1.00 0.00 O ATOM 938 NE2 GLN A 59 28.215 -6.403 -12.135 1.00 0.00 N ATOM 0 H GLN A 59 24.988 -6.205 -8.991 1.00 0.00 H new ATOM 0 HA GLN A 59 25.493 -3.423 -8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 59 24.733 -5.255 -11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.360 -3.629 -11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 59 27.463 -4.318 -10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 59 26.835 -5.945 -10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 59 28.495 -6.885 -11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 59 28.607 -6.686 -13.033 1.00 0.00 H new ATOM 947 N GLN A 60 22.452 -4.351 -9.833 1.00 0.00 N ATOM 948 CA GLN A 60 21.067 -3.898 -9.947 1.00 0.00 C ATOM 949 C GLN A 60 20.600 -3.318 -8.615 1.00 0.00 C ATOM 950 O GLN A 60 19.917 -2.294 -8.576 1.00 0.00 O ATOM 951 CB GLN A 60 20.155 -5.053 -10.382 1.00 0.00 C ATOM 952 CG GLN A 60 18.684 -4.668 -10.523 1.00 0.00 C ATOM 953 CD GLN A 60 17.812 -5.823 -10.990 1.00 0.00 C ATOM 954 OE1 GLN A 60 18.111 -6.991 -10.734 1.00 0.00 O ATOM 955 NE2 GLN A 60 16.717 -5.506 -11.668 1.00 0.00 N ATOM 0 H GLN A 60 22.586 -5.343 -10.029 1.00 0.00 H new ATOM 0 HA GLN A 60 21.013 -3.120 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.510 -5.443 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.240 -5.862 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.315 -4.306 -9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.596 -3.844 -11.230 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.502 -4.528 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.090 -6.240 -11.996 1.00 0.00 H new ATOM 964 N LEU A 61 20.995 -3.977 -7.523 1.00 0.00 N ATOM 965 CA LEU A 61 20.708 -3.481 -6.180 1.00 0.00 C ATOM 966 C LEU A 61 21.245 -2.061 -6.012 1.00 0.00 C ATOM 967 O LEU A 61 20.526 -1.168 -5.574 1.00 0.00 O ATOM 968 CB LEU A 61 21.324 -4.403 -5.113 1.00 0.00 C ATOM 969 CG LEU A 61 20.665 -5.785 -4.964 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.452 -6.655 -3.985 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.217 -5.644 -4.505 1.00 0.00 C ATOM 0 H LEU A 61 21.514 -4.855 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 61 19.626 -3.471 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.378 -4.547 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.280 -3.894 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 61 20.672 -6.272 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.969 -7.628 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.469 -6.788 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.479 -6.171 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.769 -6.633 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.189 -5.134 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.657 -5.064 -5.239 1.00 0.00 H new ATOM 983 N ALA A 62 22.504 -1.861 -6.387 1.00 0.00 N ATOM 984 CA ALA A 62 23.156 -0.561 -6.253 1.00 0.00 C ATOM 985 C ALA A 62 22.460 0.501 -7.107 1.00 0.00 C ATOM 986 O ALA A 62 22.272 1.639 -6.668 1.00 0.00 O ATOM 987 CB ALA A 62 24.632 -0.671 -6.624 1.00 0.00 C ATOM 0 H ALA A 62 23.097 -2.587 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 62 23.079 -0.248 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.107 0.305 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.121 -1.385 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.724 -1.011 -7.656 1.00 0.00 H new ATOM 993 N GLN A 63 22.067 0.118 -8.320 1.00 0.00 N ATOM 994 CA GLN A 63 21.414 1.042 -9.246 1.00 0.00 C ATOM 995 C GLN A 63 20.077 1.525 -8.687 1.00 0.00 C ATOM 996 O GLN A 63 19.821 2.731 -8.609 1.00 0.00 O ATOM 997 CB GLN A 63 21.197 0.378 -10.614 1.00 0.00 C ATOM 998 CG GLN A 63 22.490 0.025 -11.342 1.00 0.00 C ATOM 999 CD GLN A 63 22.250 -0.575 -12.718 1.00 0.00 C ATOM 1000 OE1 GLN A 63 21.239 -1.237 -12.956 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.178 -0.343 -13.634 1.00 0.00 N ATOM 0 H GLN A 63 22.189 -0.826 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 63 22.070 1.903 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.609 -0.530 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.609 1.047 -11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.100 0.922 -11.444 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.060 -0.681 -10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.001 0.210 -13.397 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.069 -0.718 -14.576 1.00 0.00 H new ATOM 1010 N GLU A 64 19.231 0.577 -8.294 1.00 0.00 N ATOM 1011 CA GLU A 64 17.898 0.895 -7.792 1.00 0.00 C ATOM 1012 C GLU A 64 17.973 1.572 -6.422 1.00 0.00 C ATOM 1013 O GLU A 64 17.201 2.490 -6.131 1.00 0.00 O ATOM 1014 CB GLU A 64 17.036 -0.374 -7.731 1.00 0.00 C ATOM 1015 CG GLU A 64 16.829 -1.037 -9.089 1.00 0.00 C ATOM 1016 CD GLU A 64 16.182 -0.106 -10.107 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.942 0.034 -10.084 1.00 0.00 O ATOM 1018 OE2 GLU A 64 16.908 0.482 -10.939 1.00 0.00 O ATOM 0 H GLU A 64 19.446 -0.420 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 64 17.430 1.597 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.504 -1.089 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.064 -0.123 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.791 -1.376 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.205 -1.922 -8.965 1.00 0.00 H new ATOM 1025 N ALA A 65 18.917 1.127 -5.595 1.00 0.00 N ATOM 1026 CA ALA A 65 19.118 1.712 -4.270 1.00 0.00 C ATOM 1027 C ALA A 65 19.531 3.177 -4.383 1.00 0.00 C ATOM 1028 O ALA A 65 18.992 4.042 -3.690 1.00 0.00 O ATOM 1029 CB ALA A 65 20.165 0.924 -3.489 1.00 0.00 C ATOM 0 H ALA A 65 19.555 0.363 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 65 18.173 1.662 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.301 1.374 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.832 -0.107 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.111 0.941 -4.030 1.00 0.00 H new ATOM 1035 N ARG A 66 20.486 3.447 -5.273 1.00 0.00 N ATOM 1036 CA ARG A 66 20.975 4.806 -5.486 1.00 0.00 C ATOM 1037 C ARG A 66 19.860 5.688 -6.041 1.00 0.00 C ATOM 1038 O ARG A 66 19.764 6.871 -5.702 1.00 0.00 O ATOM 1039 CB ARG A 66 22.179 4.809 -6.440 1.00 0.00 C ATOM 1040 CG ARG A 66 22.840 6.178 -6.585 1.00 0.00 C ATOM 1041 CD ARG A 66 24.052 6.138 -7.509 1.00 0.00 C ATOM 1042 NE ARG A 66 23.680 5.853 -8.896 1.00 0.00 N ATOM 1043 CZ ARG A 66 24.461 6.112 -9.947 1.00 0.00 C ATOM 1044 NH1 ARG A 66 25.654 6.666 -9.775 1.00 0.00 N ATOM 1045 NH2 ARG A 66 24.046 5.812 -11.168 1.00 0.00 N ATOM 0 H ARG A 66 20.935 2.742 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 66 21.298 5.208 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.919 4.094 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.855 4.465 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.113 6.891 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.146 6.538 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.573 7.094 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 66 24.750 5.378 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 66 22.768 5.431 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 66 25.979 6.896 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 66 26.247 6.862 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.130 5.384 -11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 66 24.642 6.009 -11.972 1.00 0.00 H new ATOM 1059 N ASN A 67 19.023 5.096 -6.890 1.00 0.00 N ATOM 1060 CA ASN A 67 17.856 5.784 -7.441 1.00 0.00 C ATOM 1061 C ASN A 67 16.971 6.297 -6.306 1.00 0.00 C ATOM 1062 O ASN A 67 16.732 7.500 -6.182 1.00 0.00 O ATOM 1063 CB ASN A 67 17.058 4.834 -8.350 1.00 0.00 C ATOM 1064 CG ASN A 67 15.782 5.465 -8.888 1.00 0.00 C ATOM 1065 OD1 ASN A 67 15.770 6.051 -9.972 1.00 0.00 O ATOM 1066 ND2 ASN A 67 14.700 5.348 -8.135 1.00 0.00 N ATOM 0 H ASN A 67 19.132 4.135 -7.214 1.00 0.00 H new ATOM 0 HA ASN A 67 18.194 6.632 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.686 4.526 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.805 3.932 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.816 5.751 -8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.750 4.855 -7.243 1.00 0.00 H new ATOM 1073 N ILE A 68 16.515 5.368 -5.464 1.00 0.00 N ATOM 1074 CA ILE A 68 15.670 5.698 -4.314 1.00 0.00 C ATOM 1075 C ILE A 68 16.346 6.755 -3.438 1.00 0.00 C ATOM 1076 O ILE A 68 15.723 7.737 -3.021 1.00 0.00 O ATOM 1077 CB ILE A 68 15.379 4.434 -3.459 1.00 0.00 C ATOM 1078 CG1 ILE A 68 14.663 3.362 -4.303 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.554 4.788 -2.224 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.404 2.064 -3.560 1.00 0.00 C ATOM 0 H ILE A 68 16.719 4.373 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 68 14.729 6.092 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 68 16.332 4.026 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.712 3.765 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.264 3.149 -5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.364 3.886 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.103 5.505 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.605 5.227 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.897 1.361 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.352 1.636 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.776 2.261 -2.691 1.00 0.00 H new ATOM 1092 N TYR A 69 17.635 6.545 -3.190 1.00 0.00 N ATOM 1093 CA TYR A 69 18.431 7.440 -2.358 1.00 0.00 C ATOM 1094 C TYR A 69 18.365 8.880 -2.873 1.00 0.00 C ATOM 1095 O TYR A 69 17.984 9.796 -2.143 1.00 0.00 O ATOM 1096 CB TYR A 69 19.892 6.961 -2.330 1.00 0.00 C ATOM 1097 CG TYR A 69 20.825 7.844 -1.516 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.458 8.942 -2.094 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.074 7.579 -0.175 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.306 9.748 -1.362 1.00 0.00 C ATOM 1101 CE2 TYR A 69 21.924 8.380 0.565 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.536 9.462 -0.032 1.00 0.00 C ATOM 1103 OH TYR A 69 23.384 10.257 0.703 1.00 0.00 O ATOM 0 H TYR A 69 18.157 5.750 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 69 18.021 7.422 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.923 5.950 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.264 6.906 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.282 9.167 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.596 6.734 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.786 10.596 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.108 8.159 1.606 1.00 0.00 H new ATOM 0 HH TYR A 69 23.435 9.919 1.621 1.00 0.00 H new ATOM 1113 N GLN A 70 18.725 9.070 -4.138 1.00 0.00 N ATOM 1114 CA GLN A 70 18.873 10.409 -4.702 1.00 0.00 C ATOM 1115 C GLN A 70 17.531 11.121 -4.879 1.00 0.00 C ATOM 1116 O GLN A 70 17.485 12.351 -4.935 1.00 0.00 O ATOM 1117 CB GLN A 70 19.644 10.360 -6.029 1.00 0.00 C ATOM 1118 CG GLN A 70 21.146 10.138 -5.849 1.00 0.00 C ATOM 1119 CD GLN A 70 21.910 10.124 -7.162 1.00 0.00 C ATOM 1120 OE1 GLN A 70 21.508 10.756 -8.136 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.031 9.418 -7.192 1.00 0.00 N ATOM 0 H GLN A 70 18.920 8.313 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 70 19.449 10.993 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.237 9.560 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.484 11.293 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.549 10.924 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.308 9.192 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.333 8.906 -6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.591 9.387 -8.044 1.00 0.00 H new ATOM 1130 N GLU A 71 16.443 10.364 -4.948 1.00 0.00 N ATOM 1131 CA GLU A 71 15.124 10.965 -5.144 1.00 0.00 C ATOM 1132 C GLU A 71 14.505 11.416 -3.822 1.00 0.00 C ATOM 1133 O GLU A 71 14.018 12.545 -3.710 1.00 0.00 O ATOM 1134 CB GLU A 71 14.173 9.993 -5.854 1.00 0.00 C ATOM 1135 CG GLU A 71 14.620 9.610 -7.259 1.00 0.00 C ATOM 1136 CD GLU A 71 13.514 8.945 -8.063 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.348 7.712 -7.964 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.796 9.662 -8.794 1.00 0.00 O ATOM 0 H GLU A 71 16.443 9.347 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 71 15.269 11.843 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.079 9.088 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.182 10.444 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.960 10.503 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.473 8.935 -7.194 1.00 0.00 H new ATOM 1145 N PHE A 72 14.534 10.544 -2.817 1.00 0.00 N ATOM 1146 CA PHE A 72 13.775 10.773 -1.585 1.00 0.00 C ATOM 1147 C PHE A 72 14.672 11.117 -0.393 1.00 0.00 C ATOM 1148 O PHE A 72 14.183 11.606 0.628 1.00 0.00 O ATOM 1149 CB PHE A 72 12.943 9.527 -1.250 1.00 0.00 C ATOM 1150 CG PHE A 72 12.175 8.974 -2.430 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.044 9.620 -2.910 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.595 7.812 -3.065 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.350 9.116 -3.995 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.904 7.308 -4.150 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.781 7.959 -4.614 1.00 0.00 C ATOM 0 H PHE A 72 15.071 9.677 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 72 13.127 11.630 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.605 8.752 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.241 9.773 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.702 10.526 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.473 7.296 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.471 9.627 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.244 6.404 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.239 7.565 -5.461 1.00 0.00 H new ATOM 1165 N LEU A 73 15.977 10.867 -0.510 1.00 0.00 N ATOM 1166 CA LEU A 73 16.875 10.961 0.650 1.00 0.00 C ATOM 1167 C LEU A 73 18.164 11.736 0.346 1.00 0.00 C ATOM 1168 O LEU A 73 19.096 11.740 1.156 1.00 0.00 O ATOM 1169 CB LEU A 73 17.218 9.542 1.135 1.00 0.00 C ATOM 1170 CG LEU A 73 16.010 8.695 1.577 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.416 7.241 1.783 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.387 9.265 2.851 1.00 0.00 C ATOM 0 H LEU A 73 16.434 10.601 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 73 16.352 11.518 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.738 9.016 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.914 9.618 1.970 1.00 0.00 H new ATOM 0 HG LEU A 73 15.262 8.732 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.547 6.661 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.806 6.836 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.186 7.184 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.535 8.652 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.128 9.265 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.052 10.286 2.667 1.00 0.00 H new ATOM 1184 N SER A 74 18.222 12.407 -0.800 1.00 0.00 N ATOM 1185 CA SER A 74 19.422 13.159 -1.170 1.00 0.00 C ATOM 1186 C SER A 74 19.307 14.621 -0.740 1.00 0.00 C ATOM 1187 O SER A 74 18.825 15.465 -1.501 1.00 0.00 O ATOM 1188 CB SER A 74 19.685 13.064 -2.676 1.00 0.00 C ATOM 1189 OG SER A 74 20.903 13.701 -3.031 1.00 0.00 O ATOM 0 H SER A 74 17.465 12.448 -1.482 1.00 0.00 H new ATOM 0 HA SER A 74 20.267 12.714 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.720 12.016 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.860 13.524 -3.221 1.00 0.00 H new ATOM 0 HG SER A 74 21.044 13.622 -3.998 1.00 0.00 H new ATOM 1195 N SER A 75 19.732 14.893 0.496 1.00 0.00 N ATOM 1196 CA SER A 75 19.758 16.246 1.063 1.00 0.00 C ATOM 1197 C SER A 75 18.411 16.967 0.901 1.00 0.00 C ATOM 1198 O SER A 75 17.572 16.940 1.804 1.00 0.00 O ATOM 1199 CB SER A 75 20.896 17.062 0.433 1.00 0.00 C ATOM 1200 OG SER A 75 22.137 16.380 0.552 1.00 0.00 O ATOM 0 H SER A 75 20.071 14.176 1.137 1.00 0.00 H new ATOM 0 HA SER A 75 19.940 16.153 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.677 17.246 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.963 18.035 0.920 1.00 0.00 H new ATOM 0 HG SER A 75 22.846 16.918 0.142 1.00 0.00 H new ATOM 1206 N GLN A 76 18.207 17.596 -0.258 1.00 0.00 N ATOM 1207 CA GLN A 76 16.973 18.321 -0.539 1.00 0.00 C ATOM 1208 C GLN A 76 15.868 17.345 -0.929 1.00 0.00 C ATOM 1209 O GLN A 76 14.781 17.360 -0.346 1.00 0.00 O ATOM 1210 CB GLN A 76 17.201 19.341 -1.667 1.00 0.00 C ATOM 1211 CG GLN A 76 18.212 20.432 -1.323 1.00 0.00 C ATOM 1212 CD GLN A 76 17.755 21.329 -0.182 1.00 0.00 C ATOM 1213 OE1 GLN A 76 16.559 21.537 0.023 1.00 0.00 O ATOM 1214 NE2 GLN A 76 18.702 21.874 0.563 1.00 0.00 N ATOM 0 H GLN A 76 18.886 17.616 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 76 16.668 18.856 0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 76 17.541 18.812 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 76 16.249 19.808 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.161 19.968 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.394 21.043 -2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.683 21.679 0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.451 22.489 1.337 1.00 0.00 H new ATOM 1223 N ALA A 77 16.170 16.493 -1.914 1.00 0.00 N ATOM 1224 CA ALA A 77 15.226 15.501 -2.428 1.00 0.00 C ATOM 1225 C ALA A 77 14.004 16.163 -3.070 1.00 0.00 C ATOM 1226 O ALA A 77 13.743 17.352 -2.869 1.00 0.00 O ATOM 1227 CB ALA A 77 14.802 14.540 -1.319 1.00 0.00 C ATOM 0 H ALA A 77 17.079 16.474 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 77 15.735 14.932 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.100 13.809 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.680 14.024 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.324 15.100 -0.515 1.00 0.00 H new ATOM 1233 N LEU A 78 13.266 15.389 -3.859 1.00 0.00 N ATOM 1234 CA LEU A 78 12.029 15.869 -4.466 1.00 0.00 C ATOM 1235 C LEU A 78 10.943 15.927 -3.396 1.00 0.00 C ATOM 1236 O LEU A 78 10.178 16.887 -3.311 1.00 0.00 O ATOM 1237 CB LEU A 78 11.596 14.961 -5.631 1.00 0.00 C ATOM 1238 CG LEU A 78 12.498 14.988 -6.884 1.00 0.00 C ATOM 1239 CD1 LEU A 78 13.887 14.418 -6.593 1.00 0.00 C ATOM 1240 CD2 LEU A 78 11.838 14.233 -8.038 1.00 0.00 C ATOM 0 H LEU A 78 13.503 14.425 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 78 12.194 16.866 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.546 13.935 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.586 15.243 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 78 12.625 16.031 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.492 14.454 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.367 15.009 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.794 13.384 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.489 14.263 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.670 13.196 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.884 14.701 -8.280 1.00 0.00 H new ATOM 1252 N SER A 79 10.912 14.888 -2.570 1.00 0.00 N ATOM 1253 CA SER A 79 10.026 14.823 -1.414 1.00 0.00 C ATOM 1254 C SER A 79 10.683 13.981 -0.319 1.00 0.00 C ATOM 1255 O SER A 79 10.581 12.751 -0.325 1.00 0.00 O ATOM 1256 CB SER A 79 8.658 14.233 -1.789 1.00 0.00 C ATOM 1257 OG SER A 79 7.982 15.046 -2.731 1.00 0.00 O ATOM 0 H SER A 79 11.503 14.064 -2.683 1.00 0.00 H new ATOM 0 HA SER A 79 9.859 15.836 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.793 13.233 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.047 14.129 -0.892 1.00 0.00 H new ATOM 0 HG SER A 79 8.145 14.704 -3.635 1.00 0.00 H new ATOM 1263 N PRO A 80 11.407 14.631 0.611 1.00 0.00 N ATOM 1264 CA PRO A 80 12.099 13.932 1.696 1.00 0.00 C ATOM 1265 C PRO A 80 11.120 13.265 2.662 1.00 0.00 C ATOM 1266 O PRO A 80 10.408 13.941 3.410 1.00 0.00 O ATOM 1267 CB PRO A 80 12.898 15.046 2.395 1.00 0.00 C ATOM 1268 CG PRO A 80 12.174 16.305 2.054 1.00 0.00 C ATOM 1269 CD PRO A 80 11.605 16.093 0.676 1.00 0.00 C ATOM 0 HA PRO A 80 12.729 13.121 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.934 14.890 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.929 15.074 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.383 16.509 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.849 17.161 2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.667 16.632 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.288 16.441 -0.099 1.00 0.00 H new ATOM 1277 N VAL A 81 11.065 11.936 2.616 1.00 0.00 N ATOM 1278 CA VAL A 81 10.213 11.165 3.517 1.00 0.00 C ATOM 1279 C VAL A 81 10.641 11.366 4.973 1.00 0.00 C ATOM 1280 O VAL A 81 11.826 11.266 5.309 1.00 0.00 O ATOM 1281 CB VAL A 81 10.222 9.652 3.171 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.422 9.384 1.899 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.651 9.139 3.018 1.00 0.00 C ATOM 0 H VAL A 81 11.603 11.369 1.961 1.00 0.00 H new ATOM 0 HA VAL A 81 9.196 11.534 3.387 1.00 0.00 H new ATOM 0 HB VAL A 81 9.751 9.115 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.441 8.317 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.391 9.706 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.862 9.937 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.632 8.076 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.150 9.685 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.193 9.289 3.952 1.00 0.00 H new ATOM 1293 N ASN A 82 9.668 11.663 5.825 1.00 0.00 N ATOM 1294 CA ASN A 82 9.922 11.932 7.240 1.00 0.00 C ATOM 1295 C ASN A 82 10.103 10.634 8.022 1.00 0.00 C ATOM 1296 O ASN A 82 9.205 10.190 8.738 1.00 0.00 O ATOM 1297 CB ASN A 82 8.791 12.782 7.844 1.00 0.00 C ATOM 1298 CG ASN A 82 8.902 14.252 7.474 1.00 0.00 C ATOM 1299 OD1 ASN A 82 10.004 14.795 7.373 1.00 0.00 O ATOM 1300 ND2 ASN A 82 7.769 14.902 7.254 1.00 0.00 N ATOM 0 H ASN A 82 8.685 11.725 5.560 1.00 0.00 H new ATOM 0 HA ASN A 82 10.851 12.498 7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.830 12.397 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.807 12.682 8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.789 15.887 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.876 14.417 7.348 1.00 0.00 H new ATOM 1307 N ILE A 83 11.266 10.022 7.843 1.00 0.00 N ATOM 1308 CA ILE A 83 11.654 8.816 8.573 1.00 0.00 C ATOM 1309 C ILE A 83 12.909 9.116 9.389 1.00 0.00 C ATOM 1310 O ILE A 83 13.374 10.259 9.404 1.00 0.00 O ATOM 1311 CB ILE A 83 11.925 7.633 7.600 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.086 7.981 6.646 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.662 7.289 6.811 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.406 6.903 5.630 1.00 0.00 C ATOM 0 H ILE A 83 11.973 10.348 7.184 1.00 0.00 H new ATOM 0 HA ILE A 83 10.837 8.524 9.233 1.00 0.00 H new ATOM 0 HB ILE A 83 12.210 6.759 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.841 8.902 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.979 8.182 7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.870 6.459 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.868 7.005 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.346 8.157 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.234 7.230 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.685 5.986 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.530 6.717 5.009 1.00 0.00 H new ATOM 1326 N ASP A 84 13.460 8.110 10.066 1.00 0.00 N ATOM 1327 CA ASP A 84 14.688 8.304 10.839 1.00 0.00 C ATOM 1328 C ASP A 84 15.865 8.525 9.895 1.00 0.00 C ATOM 1329 O ASP A 84 16.569 7.586 9.531 1.00 0.00 O ATOM 1330 CB ASP A 84 14.969 7.112 11.771 1.00 0.00 C ATOM 1331 CG ASP A 84 13.861 6.890 12.789 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.657 7.765 13.657 1.00 0.00 O ATOM 1333 OD2 ASP A 84 13.185 5.842 12.728 1.00 0.00 O ATOM 0 H ASP A 84 13.082 7.163 10.096 1.00 0.00 H new ATOM 0 HA ASP A 84 14.554 9.186 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.093 6.209 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.910 7.279 12.295 1.00 0.00 H new ATOM 1338 N ARG A 85 16.039 9.773 9.469 1.00 0.00 N ATOM 1339 CA ARG A 85 17.102 10.135 8.538 1.00 0.00 C ATOM 1340 C ARG A 85 18.403 10.384 9.297 1.00 0.00 C ATOM 1341 O ARG A 85 19.495 10.128 8.789 1.00 0.00 O ATOM 1342 CB ARG A 85 16.707 11.389 7.745 1.00 0.00 C ATOM 1343 CG ARG A 85 15.368 11.265 7.016 1.00 0.00 C ATOM 1344 CD ARG A 85 14.983 12.563 6.307 1.00 0.00 C ATOM 1345 NE ARG A 85 14.963 13.710 7.222 1.00 0.00 N ATOM 1346 CZ ARG A 85 14.190 14.789 7.069 1.00 0.00 C ATOM 1347 NH1 ARG A 85 13.325 14.866 6.061 1.00 0.00 N ATOM 1348 NH2 ARG A 85 14.277 15.789 7.933 1.00 0.00 N ATOM 0 H ARG A 85 15.452 10.556 9.757 1.00 0.00 H new ATOM 0 HA ARG A 85 17.253 9.311 7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.661 12.238 8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 85 17.488 11.607 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.425 10.456 6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.589 10.997 7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.689 12.757 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.000 12.448 5.850 1.00 0.00 H new ATOM 0 HE ARG A 85 15.583 13.682 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.247 14.097 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.740 15.694 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.933 15.734 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.688 16.614 7.819 1.00 0.00 H new ATOM 1362 N GLN A 86 18.264 10.872 10.524 1.00 0.00 N ATOM 1363 CA GLN A 86 19.408 11.185 11.374 1.00 0.00 C ATOM 1364 C GLN A 86 20.270 9.942 11.588 1.00 0.00 C ATOM 1365 O GLN A 86 21.491 9.977 11.418 1.00 0.00 O ATOM 1366 CB GLN A 86 18.918 11.731 12.725 1.00 0.00 C ATOM 1367 CG GLN A 86 20.032 12.210 13.651 1.00 0.00 C ATOM 1368 CD GLN A 86 20.838 13.355 13.060 1.00 0.00 C ATOM 1369 OE1 GLN A 86 20.323 14.161 12.280 1.00 0.00 O ATOM 1370 NE2 GLN A 86 22.108 13.436 13.423 1.00 0.00 N ATOM 0 H GLN A 86 17.360 11.061 10.957 1.00 0.00 H new ATOM 0 HA GLN A 86 20.016 11.944 10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.233 12.559 12.542 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.349 10.953 13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.598 12.528 14.599 1.00 0.00 H new ATOM 0 HG3 GLN A 86 20.700 11.377 13.870 1.00 0.00 H new ATOM 0 HE21 GLN A 86 22.498 12.751 14.070 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.697 14.184 13.056 1.00 0.00 H new ATOM 1379 N ALA A 87 19.614 8.843 11.944 1.00 0.00 N ATOM 1380 CA ALA A 87 20.295 7.576 12.198 1.00 0.00 C ATOM 1381 C ALA A 87 20.138 6.621 11.020 1.00 0.00 C ATOM 1382 O ALA A 87 20.311 5.408 11.169 1.00 0.00 O ATOM 1383 CB ALA A 87 19.743 6.943 13.469 1.00 0.00 C ATOM 0 H ALA A 87 18.602 8.803 12.064 1.00 0.00 H new ATOM 0 HA ALA A 87 21.359 7.775 12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.253 5.998 13.656 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.906 7.616 14.311 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.675 6.762 13.351 1.00 0.00 H new ATOM 1389 N TRP A 88 19.826 7.163 9.847 1.00 0.00 N ATOM 1390 CA TRP A 88 19.609 6.335 8.665 1.00 0.00 C ATOM 1391 C TRP A 88 20.928 5.708 8.200 1.00 0.00 C ATOM 1392 O TRP A 88 22.010 6.153 8.598 1.00 0.00 O ATOM 1393 CB TRP A 88 18.966 7.151 7.529 1.00 0.00 C ATOM 1394 CG TRP A 88 18.449 6.288 6.415 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.390 5.429 6.475 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.965 6.193 5.083 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.234 4.787 5.272 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.183 5.245 4.398 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.013 6.815 4.404 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.421 4.903 3.071 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.247 6.477 3.085 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.454 5.528 2.431 1.00 0.00 C ATOM 0 H TRP A 88 19.718 8.165 9.689 1.00 0.00 H new ATOM 0 HA TRP A 88 18.921 5.534 8.934 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.146 7.745 7.933 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.700 7.851 7.130 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.766 5.277 7.343 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.526 4.083 5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.631 7.548 4.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.811 4.170 2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.055 6.953 2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.662 5.284 1.400 1.00 0.00 H new ATOM 1413 N LEU A 89 20.823 4.675 7.365 1.00 0.00 N ATOM 1414 CA LEU A 89 21.980 3.932 6.869 1.00 0.00 C ATOM 1415 C LEU A 89 23.022 4.882 6.274 1.00 0.00 C ATOM 1416 O LEU A 89 24.129 5.019 6.796 1.00 0.00 O ATOM 1417 CB LEU A 89 21.520 2.918 5.813 1.00 0.00 C ATOM 1418 CG LEU A 89 20.413 1.951 6.270 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.925 1.097 5.105 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.906 1.068 7.411 1.00 0.00 C ATOM 0 H LEU A 89 19.930 4.329 7.013 1.00 0.00 H new ATOM 0 HA LEU A 89 22.443 3.403 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.165 3.464 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.383 2.333 5.495 1.00 0.00 H new ATOM 0 HG LEU A 89 19.574 2.545 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.143 0.421 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.526 1.743 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 89 20.757 0.516 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 89 20.108 0.392 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 89 21.765 0.487 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.198 1.693 8.255 1.00 0.00 H new ATOM 1432 N GLY A 90 22.648 5.537 5.186 1.00 0.00 N ATOM 1433 CA GLY A 90 23.502 6.548 4.585 1.00 0.00 C ATOM 1434 C GLY A 90 24.353 6.022 3.444 1.00 0.00 C ATOM 1435 O GLY A 90 23.910 5.187 2.652 1.00 0.00 O ATOM 0 H GLY A 90 21.762 5.387 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.881 7.365 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.155 6.964 5.353 1.00 0.00 H new ATOM 1439 N GLU A 91 25.588 6.508 3.387 1.00 0.00 N ATOM 1440 CA GLU A 91 26.518 6.236 2.291 1.00 0.00 C ATOM 1441 C GLU A 91 26.802 4.736 2.128 1.00 0.00 C ATOM 1442 O GLU A 91 27.198 4.285 1.048 1.00 0.00 O ATOM 1443 CB GLU A 91 27.821 7.002 2.552 1.00 0.00 C ATOM 1444 CG GLU A 91 28.848 6.920 1.431 1.00 0.00 C ATOM 1445 CD GLU A 91 30.169 7.570 1.811 1.00 0.00 C ATOM 1446 OE1 GLU A 91 30.281 8.809 1.712 1.00 0.00 O ATOM 1447 OE2 GLU A 91 31.103 6.844 2.214 1.00 0.00 O ATOM 0 H GLU A 91 25.979 7.111 4.110 1.00 0.00 H new ATOM 0 HA GLU A 91 26.061 6.570 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.580 8.050 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.273 6.620 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.020 5.875 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.450 7.405 0.540 1.00 0.00 H new ATOM 1454 N GLU A 92 26.579 3.966 3.193 1.00 0.00 N ATOM 1455 CA GLU A 92 26.852 2.531 3.184 1.00 0.00 C ATOM 1456 C GLU A 92 25.963 1.829 2.162 1.00 0.00 C ATOM 1457 O GLU A 92 26.341 0.805 1.586 1.00 0.00 O ATOM 1458 CB GLU A 92 26.632 1.940 4.586 1.00 0.00 C ATOM 1459 CG GLU A 92 25.229 2.171 5.141 1.00 0.00 C ATOM 1460 CD GLU A 92 25.037 1.579 6.529 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.332 2.270 7.526 1.00 0.00 O ATOM 1462 OE2 GLU A 92 24.594 0.419 6.632 1.00 0.00 O ATOM 0 H GLU A 92 26.208 4.315 4.077 1.00 0.00 H new ATOM 0 HA GLU A 92 27.893 2.374 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.827 0.868 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.359 2.375 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.030 3.242 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.498 1.734 4.461 1.00 0.00 H new ATOM 1469 N VAL A 93 24.791 2.411 1.926 1.00 0.00 N ATOM 1470 CA VAL A 93 23.826 1.857 0.986 1.00 0.00 C ATOM 1471 C VAL A 93 24.386 1.864 -0.435 1.00 0.00 C ATOM 1472 O VAL A 93 24.180 0.927 -1.206 1.00 0.00 O ATOM 1473 CB VAL A 93 22.498 2.654 1.004 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.505 2.089 -0.007 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.896 2.669 2.406 1.00 0.00 C ATOM 0 H VAL A 93 24.486 3.273 2.378 1.00 0.00 H new ATOM 0 HA VAL A 93 23.630 0.831 1.298 1.00 0.00 H new ATOM 0 HB VAL A 93 22.719 3.682 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.582 2.668 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.932 2.147 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.290 1.048 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.964 3.234 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.697 1.647 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.596 3.137 3.098 1.00 0.00 H new ATOM 1485 N LEU A 94 25.105 2.931 -0.760 1.00 0.00 N ATOM 1486 CA LEU A 94 25.649 3.121 -2.099 1.00 0.00 C ATOM 1487 C LEU A 94 26.800 2.153 -2.352 1.00 0.00 C ATOM 1488 O LEU A 94 27.124 1.842 -3.499 1.00 0.00 O ATOM 1489 CB LEU A 94 26.123 4.573 -2.289 1.00 0.00 C ATOM 1490 CG LEU A 94 25.020 5.654 -2.255 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.882 5.301 -3.206 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.494 5.874 -0.836 1.00 0.00 C ATOM 0 H LEU A 94 25.326 3.684 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 94 24.858 2.917 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.852 4.801 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.643 4.643 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 94 25.467 6.590 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.118 6.078 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.267 5.226 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.445 4.346 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.720 6.641 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.076 4.943 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.312 6.196 -0.191 1.00 0.00 H new ATOM 1504 N ALA A 95 27.414 1.684 -1.272 1.00 0.00 N ATOM 1505 CA ALA A 95 28.517 0.739 -1.366 1.00 0.00 C ATOM 1506 C ALA A 95 27.996 -0.682 -1.563 1.00 0.00 C ATOM 1507 O ALA A 95 28.024 -1.218 -2.676 1.00 0.00 O ATOM 1508 CB ALA A 95 29.397 0.821 -0.124 1.00 0.00 C ATOM 0 H ALA A 95 27.164 1.945 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 95 29.121 1.003 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.217 0.108 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.801 1.829 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.803 0.585 0.759 1.00 0.00 H new ATOM 1514 N GLU A 96 27.490 -1.278 -0.485 1.00 0.00 N ATOM 1515 CA GLU A 96 27.029 -2.663 -0.509 1.00 0.00 C ATOM 1516 C GLU A 96 25.566 -2.738 -0.064 1.00 0.00 C ATOM 1517 O GLU A 96 25.277 -2.846 1.131 1.00 0.00 O ATOM 1518 CB GLU A 96 27.906 -3.533 0.407 1.00 0.00 C ATOM 1519 CG GLU A 96 29.398 -3.490 0.072 1.00 0.00 C ATOM 1520 CD GLU A 96 29.729 -4.078 -1.294 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.813 -5.322 -1.407 1.00 0.00 O ATOM 1522 OE2 GLU A 96 29.940 -3.304 -2.252 1.00 0.00 O ATOM 0 H GLU A 96 27.389 -0.819 0.420 1.00 0.00 H new ATOM 0 HA GLU A 96 27.108 -3.040 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.767 -3.209 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.561 -4.565 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.741 -2.456 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.950 -4.035 0.837 1.00 0.00 H new ATOM 1529 N PRO A 97 24.624 -2.637 -1.019 1.00 0.00 N ATOM 1530 CA PRO A 97 23.192 -2.712 -0.732 1.00 0.00 C ATOM 1531 C PRO A 97 22.675 -4.153 -0.708 1.00 0.00 C ATOM 1532 O PRO A 97 23.390 -5.092 -1.075 1.00 0.00 O ATOM 1533 CB PRO A 97 22.583 -1.934 -1.900 1.00 0.00 C ATOM 1534 CG PRO A 97 23.500 -2.209 -3.047 1.00 0.00 C ATOM 1535 CD PRO A 97 24.879 -2.421 -2.459 1.00 0.00 C ATOM 0 HA PRO A 97 22.938 -2.315 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.568 -2.268 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.528 -0.867 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.175 -3.090 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 97 23.502 -1.375 -3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.377 -3.279 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.521 -1.556 -2.625 1.00 0.00 H new ATOM 1543 N ARG A 98 21.431 -4.314 -0.273 1.00 0.00 N ATOM 1544 CA ARG A 98 20.775 -5.619 -0.222 1.00 0.00 C ATOM 1545 C ARG A 98 19.274 -5.432 -0.429 1.00 0.00 C ATOM 1546 O ARG A 98 18.745 -4.359 -0.138 1.00 0.00 O ATOM 1547 CB ARG A 98 21.053 -6.307 1.126 1.00 0.00 C ATOM 1548 CG ARG A 98 20.554 -5.520 2.333 1.00 0.00 C ATOM 1549 CD ARG A 98 20.992 -6.150 3.652 1.00 0.00 C ATOM 1550 NE ARG A 98 20.923 -5.192 4.762 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.181 -5.349 5.862 1.00 0.00 C ATOM 1552 NH1 ARG A 98 19.451 -6.444 6.035 1.00 0.00 N ATOM 1553 NH2 ARG A 98 20.191 -4.410 6.801 1.00 0.00 N ATOM 0 H ARG A 98 20.847 -3.545 0.055 1.00 0.00 H new ATOM 0 HA ARG A 98 21.171 -6.256 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.583 -7.290 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.126 -6.467 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.928 -4.498 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.466 -5.463 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.358 -7.009 3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.012 -6.523 3.556 1.00 0.00 H new ATOM 0 HE ARG A 98 21.483 -4.343 4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.453 -7.176 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.888 -6.554 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.763 -3.574 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.627 -4.525 7.643 1.00 0.00 H new ATOM 1567 N PRO A 99 18.565 -6.461 -0.932 1.00 0.00 N ATOM 1568 CA PRO A 99 17.122 -6.366 -1.201 1.00 0.00 C ATOM 1569 C PRO A 99 16.323 -6.048 0.066 1.00 0.00 C ATOM 1570 O PRO A 99 15.283 -5.390 0.011 1.00 0.00 O ATOM 1571 CB PRO A 99 16.760 -7.757 -1.755 1.00 0.00 C ATOM 1572 CG PRO A 99 17.863 -8.650 -1.302 1.00 0.00 C ATOM 1573 CD PRO A 99 19.096 -7.792 -1.275 1.00 0.00 C ATOM 0 HA PRO A 99 16.884 -5.558 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.796 -8.095 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.685 -7.742 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.652 -9.063 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.988 -9.493 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.816 -8.143 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.606 -7.787 -2.238 1.00 0.00 H new ATOM 1581 N ASP A 100 16.837 -6.485 1.212 1.00 0.00 N ATOM 1582 CA ASP A 100 16.159 -6.274 2.488 1.00 0.00 C ATOM 1583 C ASP A 100 16.883 -5.182 3.257 1.00 0.00 C ATOM 1584 O ASP A 100 17.556 -5.436 4.251 1.00 0.00 O ATOM 1585 CB ASP A 100 16.108 -7.577 3.302 1.00 0.00 C ATOM 1586 CG ASP A 100 15.282 -7.445 4.578 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.039 -7.374 4.480 1.00 0.00 O ATOM 1588 OD2 ASP A 100 15.864 -7.435 5.685 1.00 0.00 O ATOM 0 H ASP A 100 17.722 -6.988 1.284 1.00 0.00 H new ATOM 0 HA ASP A 100 15.130 -5.964 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.688 -8.370 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.123 -7.878 3.561 1.00 0.00 H new ATOM 1593 N MET A 101 16.781 -3.960 2.750 1.00 0.00 N ATOM 1594 CA MET A 101 17.530 -2.838 3.308 1.00 0.00 C ATOM 1595 C MET A 101 16.595 -1.683 3.649 1.00 0.00 C ATOM 1596 O MET A 101 16.578 -1.189 4.779 1.00 0.00 O ATOM 1597 CB MET A 101 18.599 -2.387 2.298 1.00 0.00 C ATOM 1598 CG MET A 101 19.815 -1.723 2.928 1.00 0.00 C ATOM 1599 SD MET A 101 21.127 -1.421 1.726 1.00 0.00 S ATOM 1600 CE MET A 101 22.479 -0.957 2.806 1.00 0.00 C ATOM 0 H MET A 101 16.189 -3.719 1.955 1.00 0.00 H new ATOM 0 HA MET A 101 18.018 -3.157 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.929 -3.253 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.145 -1.692 1.592 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.516 -0.778 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 101 20.197 -2.355 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 101 23.421 -1.033 2.263 1.00 0.00 H new ATOM 0 HE2 MET A 101 22.337 0.069 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 101 22.502 -1.625 3.667 1.00 0.00 H new ATOM 1610 N PHE A 102 15.808 -1.257 2.668 1.00 0.00 N ATOM 1611 CA PHE A 102 14.880 -0.145 2.857 1.00 0.00 C ATOM 1612 C PHE A 102 13.570 -0.624 3.478 1.00 0.00 C ATOM 1613 O PHE A 102 12.802 0.179 4.003 1.00 0.00 O ATOM 1614 CB PHE A 102 14.599 0.550 1.520 1.00 0.00 C ATOM 1615 CG PHE A 102 15.846 1.009 0.806 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.653 1.994 1.358 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.213 0.452 -0.412 1.00 0.00 C ATOM 1618 CE1 PHE A 102 17.798 2.413 0.710 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.357 0.871 -1.063 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.149 1.850 -0.501 1.00 0.00 C ATOM 0 H PHE A 102 15.793 -1.664 1.733 1.00 0.00 H new ATOM 0 HA PHE A 102 15.345 0.567 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.050 -0.134 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.953 1.410 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.382 2.438 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.597 -0.317 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.418 3.180 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.631 0.432 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.045 2.177 -1.008 1.00 0.00 H new ATOM 1630 N ARG A 103 13.349 -1.939 3.439 1.00 0.00 N ATOM 1631 CA ARG A 103 12.092 -2.551 3.884 1.00 0.00 C ATOM 1632 C ARG A 103 11.704 -2.094 5.297 1.00 0.00 C ATOM 1633 O ARG A 103 10.519 -1.974 5.614 1.00 0.00 O ATOM 1634 CB ARG A 103 12.209 -4.088 3.795 1.00 0.00 C ATOM 1635 CG ARG A 103 10.948 -4.867 4.201 1.00 0.00 C ATOM 1636 CD ARG A 103 10.951 -5.227 5.686 1.00 0.00 C ATOM 1637 NE ARG A 103 12.176 -5.938 6.062 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.519 -6.257 7.310 1.00 0.00 C ATOM 1639 NH1 ARG A 103 11.692 -6.017 8.322 1.00 0.00 N ATOM 1640 NH2 ARG A 103 13.688 -6.841 7.539 1.00 0.00 N ATOM 0 H ARG A 103 14.036 -2.612 3.098 1.00 0.00 H new ATOM 0 HA ARG A 103 11.290 -2.220 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.469 -4.357 2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.035 -4.410 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.065 -4.270 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.878 -5.778 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.858 -4.319 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.084 -5.848 5.913 1.00 0.00 H new ATOM 0 HE ARG A 103 12.813 -6.209 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.785 -5.585 8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.964 -6.265 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.318 -7.043 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.957 -7.088 8.491 1.00 0.00 H new ATOM 1654 N ALA A 104 12.705 -1.819 6.131 1.00 0.00 N ATOM 1655 CA ALA A 104 12.461 -1.328 7.487 1.00 0.00 C ATOM 1656 C ALA A 104 11.752 0.031 7.452 1.00 0.00 C ATOM 1657 O ALA A 104 10.720 0.226 8.095 1.00 0.00 O ATOM 1658 CB ALA A 104 13.773 -1.229 8.258 1.00 0.00 C ATOM 0 H ALA A 104 13.691 -1.927 5.893 1.00 0.00 H new ATOM 0 HA ALA A 104 11.810 -2.037 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.576 -0.862 9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.237 -2.214 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.445 -0.540 7.746 1.00 0.00 H new ATOM 1664 N GLN A 105 12.307 0.958 6.674 1.00 0.00 N ATOM 1665 CA GLN A 105 11.743 2.303 6.545 1.00 0.00 C ATOM 1666 C GLN A 105 10.487 2.266 5.674 1.00 0.00 C ATOM 1667 O GLN A 105 9.599 3.111 5.800 1.00 0.00 O ATOM 1668 CB GLN A 105 12.776 3.271 5.941 1.00 0.00 C ATOM 1669 CG GLN A 105 14.033 3.466 6.793 1.00 0.00 C ATOM 1670 CD GLN A 105 14.957 2.253 6.816 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.010 1.510 5.716 1.00 0.00 O flip ATOM 1672 NE2 GLN A 105 15.636 1.998 7.807 1.00 0.00 N flip ATOM 0 H GLN A 105 13.150 0.803 6.121 1.00 0.00 H new ATOM 0 HA GLN A 105 11.476 2.660 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.071 2.902 4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.302 4.240 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.587 4.325 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.735 3.703 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.571 2.589 8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.265 1.195 7.802 1.00 0.00 H new ATOM 1681 N GLN A 106 10.432 1.269 4.799 1.00 0.00 N ATOM 1682 CA GLN A 106 9.298 1.051 3.907 1.00 0.00 C ATOM 1683 C GLN A 106 8.006 0.942 4.710 1.00 0.00 C ATOM 1684 O GLN A 106 7.049 1.687 4.490 1.00 0.00 O ATOM 1685 CB GLN A 106 9.524 -0.244 3.121 1.00 0.00 C ATOM 1686 CG GLN A 106 8.439 -0.580 2.104 1.00 0.00 C ATOM 1687 CD GLN A 106 8.490 -2.037 1.675 1.00 0.00 C ATOM 1688 OE1 GLN A 106 9.227 -2.403 0.764 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.697 -2.875 2.325 1.00 0.00 N ATOM 0 H GLN A 106 11.179 0.583 4.687 1.00 0.00 H new ATOM 0 HA GLN A 106 9.213 1.894 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.479 -0.173 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.607 -1.070 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.461 -0.363 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.552 0.060 1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.099 -2.532 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.684 -3.864 2.074 1.00 0.00 H new ATOM 1698 N LEU A 107 8.006 0.013 5.661 1.00 0.00 N ATOM 1699 CA LEU A 107 6.829 -0.249 6.478 1.00 0.00 C ATOM 1700 C LEU A 107 6.527 0.940 7.388 1.00 0.00 C ATOM 1701 O LEU A 107 5.386 1.140 7.800 1.00 0.00 O ATOM 1702 CB LEU A 107 7.028 -1.524 7.310 1.00 0.00 C ATOM 1703 CG LEU A 107 5.777 -2.023 8.053 1.00 0.00 C ATOM 1704 CD1 LEU A 107 4.685 -2.433 7.066 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.128 -3.180 8.984 1.00 0.00 C ATOM 0 H LEU A 107 8.811 -0.572 5.884 1.00 0.00 H new ATOM 0 HA LEU A 107 5.977 -0.396 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.380 -2.317 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.817 -1.343 8.040 1.00 0.00 H new ATOM 0 HG LEU A 107 5.393 -1.203 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.811 -2.782 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.409 -1.576 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.055 -3.234 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.229 -3.518 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.543 -4.003 8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.863 -2.847 9.717 1.00 0.00 H new ATOM 1717 N GLN A 108 7.550 1.739 7.688 1.00 0.00 N ATOM 1718 CA GLN A 108 7.364 2.917 8.528 1.00 0.00 C ATOM 1719 C GLN A 108 6.510 3.948 7.789 1.00 0.00 C ATOM 1720 O GLN A 108 5.647 4.596 8.383 1.00 0.00 O ATOM 1721 CB GLN A 108 8.718 3.520 8.944 1.00 0.00 C ATOM 1722 CG GLN A 108 8.617 4.540 10.079 1.00 0.00 C ATOM 1723 CD GLN A 108 8.173 3.928 11.406 1.00 0.00 C ATOM 1724 OE1 GLN A 108 7.441 2.935 11.450 1.00 0.00 O ATOM 1725 NE2 GLN A 108 8.613 4.522 12.503 1.00 0.00 N ATOM 0 H GLN A 108 8.506 1.593 7.365 1.00 0.00 H new ATOM 0 HA GLN A 108 6.846 2.619 9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.385 2.714 9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.174 3.999 8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.587 5.019 10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.913 5.321 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.217 5.341 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.349 4.161 13.420 1.00 0.00 H new ATOM 1734 N ILE A 109 6.746 4.080 6.481 1.00 0.00 N ATOM 1735 CA ILE A 109 5.914 4.927 5.629 1.00 0.00 C ATOM 1736 C ILE A 109 4.487 4.376 5.585 1.00 0.00 C ATOM 1737 O ILE A 109 3.510 5.127 5.683 1.00 0.00 O ATOM 1738 CB ILE A 109 6.484 5.027 4.186 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.787 5.849 4.168 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.454 5.625 3.230 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.621 7.277 4.650 1.00 0.00 C ATOM 0 H ILE A 109 7.507 3.610 5.991 1.00 0.00 H new ATOM 0 HA ILE A 109 5.910 5.929 6.057 1.00 0.00 H new ATOM 0 HB ILE A 109 6.713 4.017 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.528 5.350 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.182 5.863 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.879 5.684 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.565 4.994 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.182 6.625 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.582 7.789 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.905 7.795 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.257 7.274 5.677 1.00 0.00 H new ATOM 1753 N PHE A 110 4.386 3.055 5.454 1.00 0.00 N ATOM 1754 CA PHE A 110 3.098 2.364 5.471 1.00 0.00 C ATOM 1755 C PHE A 110 2.315 2.749 6.726 1.00 0.00 C ATOM 1756 O PHE A 110 1.161 3.171 6.651 1.00 0.00 O ATOM 1757 CB PHE A 110 3.323 0.840 5.428 1.00 0.00 C ATOM 1758 CG PHE A 110 2.060 0.009 5.398 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.389 -0.317 6.571 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.549 -0.454 4.195 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.239 -1.083 6.540 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.400 -1.222 4.162 1.00 0.00 C ATOM 1763 CZ PHE A 110 -0.256 -1.536 5.334 1.00 0.00 C ATOM 0 H PHE A 110 5.188 2.437 5.334 1.00 0.00 H new ATOM 0 HA PHE A 110 2.521 2.660 4.595 1.00 0.00 H new ATOM 0 HB2 PHE A 110 3.919 0.600 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.911 0.550 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.771 0.033 7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.055 -0.212 3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.272 -1.327 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.015 -1.577 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.154 -2.135 5.308 1.00 0.00 H new ATOM 1773 N ASN A 111 2.972 2.619 7.875 1.00 0.00 N ATOM 1774 CA ASN A 111 2.359 2.917 9.169 1.00 0.00 C ATOM 1775 C ASN A 111 1.962 4.388 9.263 1.00 0.00 C ATOM 1776 O ASN A 111 0.916 4.721 9.818 1.00 0.00 O ATOM 1777 CB ASN A 111 3.322 2.563 10.315 1.00 0.00 C ATOM 1778 CG ASN A 111 3.603 1.070 10.412 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.749 0.241 10.095 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.803 0.718 10.849 1.00 0.00 N ATOM 0 H ASN A 111 3.941 2.305 7.937 1.00 0.00 H new ATOM 0 HA ASN A 111 1.458 2.309 9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.262 3.096 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.900 2.910 11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 111 5.046 -0.269 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.484 1.434 11.102 1.00 0.00 H new ATOM 1787 N LEU A 112 2.800 5.257 8.704 1.00 0.00 N ATOM 1788 CA LEU A 112 2.588 6.702 8.768 1.00 0.00 C ATOM 1789 C LEU A 112 1.241 7.097 8.156 1.00 0.00 C ATOM 1790 O LEU A 112 0.441 7.797 8.781 1.00 0.00 O ATOM 1791 CB LEU A 112 3.734 7.431 8.048 1.00 0.00 C ATOM 1792 CG LEU A 112 3.679 8.969 8.096 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.750 9.468 9.539 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.805 9.575 7.257 1.00 0.00 C ATOM 0 H LEU A 112 3.641 4.982 8.196 1.00 0.00 H new ATOM 0 HA LEU A 112 2.575 6.997 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.678 7.105 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.740 7.118 7.004 1.00 0.00 H new ATOM 0 HG LEU A 112 2.727 9.290 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.710 10.557 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.908 9.068 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.683 9.135 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.749 10.663 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.768 9.244 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.702 9.251 6.221 1.00 0.00 H new ATOM 1806 N MET A 113 0.983 6.632 6.937 1.00 0.00 N ATOM 1807 CA MET A 113 -0.241 7.000 6.222 1.00 0.00 C ATOM 1808 C MET A 113 -1.380 6.041 6.546 1.00 0.00 C ATOM 1809 O MET A 113 -2.528 6.279 6.158 1.00 0.00 O ATOM 1810 CB MET A 113 0.003 7.030 4.709 1.00 0.00 C ATOM 1811 CG MET A 113 1.115 7.986 4.297 1.00 0.00 C ATOM 1812 SD MET A 113 0.794 9.674 4.848 1.00 0.00 S ATOM 1813 CE MET A 113 2.259 10.521 4.263 1.00 0.00 C ATOM 0 H MET A 113 1.600 6.003 6.423 1.00 0.00 H new ATOM 0 HA MET A 113 -0.528 7.998 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.252 6.025 4.368 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.920 7.318 4.205 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.062 7.642 4.714 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.221 7.973 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.464 11.378 4.904 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.108 9.838 4.287 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.098 10.863 3.241 1.00 0.00 H new ATOM 1823 N LYS A 114 -1.059 4.975 7.275 1.00 0.00 N ATOM 1824 CA LYS A 114 -2.030 3.939 7.628 1.00 0.00 C ATOM 1825 C LYS A 114 -3.197 4.518 8.431 1.00 0.00 C ATOM 1826 O LYS A 114 -4.282 3.937 8.476 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.331 2.827 8.426 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.197 1.605 8.717 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.389 0.498 9.395 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.231 -0.745 9.655 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.417 -1.866 10.197 1.00 0.00 N ATOM 0 H LYS A 114 -0.121 4.804 7.638 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.438 3.523 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.447 2.505 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.984 3.242 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.032 1.892 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.623 1.229 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.537 0.234 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.988 0.868 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.028 -0.503 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.709 -1.060 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.028 -2.692 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.672 -2.115 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.981 -1.576 11.095 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.973 5.671 9.055 1.00 0.00 N ATOM 1846 CA PHE A 115 -4.000 6.319 9.869 1.00 0.00 C ATOM 1847 C PHE A 115 -4.283 7.746 9.389 1.00 0.00 C ATOM 1848 O PHE A 115 -4.931 8.519 10.096 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.576 6.329 11.350 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.254 7.016 11.616 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -2.191 8.390 11.810 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -1.075 6.284 11.680 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -0.983 9.017 12.058 1.00 0.00 C ATOM 1854 CE2 PHE A 115 0.134 6.906 11.930 1.00 0.00 C ATOM 1855 CZ PHE A 115 0.179 8.274 12.119 1.00 0.00 C ATOM 0 H PHE A 115 -2.089 6.177 9.013 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.920 5.745 9.763 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.352 6.823 11.934 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.515 5.300 11.705 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.097 8.976 11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.103 5.215 11.532 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.949 10.087 12.204 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.042 6.323 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.123 8.762 12.314 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.853 8.074 8.168 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.937 9.453 7.676 1.00 0.00 C ATOM 1867 C ASP A 116 -4.338 9.487 6.203 1.00 0.00 C ATOM 1868 O ASP A 116 -5.518 9.608 5.889 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.609 10.197 7.883 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.661 11.630 7.363 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -3.211 12.505 8.069 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -2.169 11.882 6.243 1.00 0.00 O ATOM 0 H ASP A 116 -3.447 7.412 7.507 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.709 9.961 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.362 10.207 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.810 9.657 7.375 1.00 0.00 H new ATOM 1877 N SER A 117 -3.360 9.356 5.304 1.00 0.00 N ATOM 1878 CA SER A 117 -3.630 9.385 3.868 1.00 0.00 C ATOM 1879 C SER A 117 -4.587 8.258 3.484 1.00 0.00 C ATOM 1880 O SER A 117 -5.403 8.408 2.571 1.00 0.00 O ATOM 1881 CB SER A 117 -2.325 9.294 3.070 1.00 0.00 C ATOM 1882 OG SER A 117 -1.483 10.402 3.345 1.00 0.00 O ATOM 0 H SER A 117 -2.377 9.229 5.546 1.00 0.00 H new ATOM 0 HA SER A 117 -4.106 10.334 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.806 8.368 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.548 9.258 2.004 1.00 0.00 H new ATOM 0 HG SER A 117 -0.564 10.089 3.479 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.481 7.131 4.189 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.464 6.058 4.071 1.00 0.00 C ATOM 1890 C TYR A 118 -6.871 6.605 4.303 1.00 0.00 C ATOM 1891 O TYR A 118 -7.745 6.485 3.441 1.00 0.00 O ATOM 1892 CB TYR A 118 -5.165 4.940 5.080 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.277 3.912 5.214 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.760 3.221 4.105 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.850 3.640 6.453 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.775 2.291 4.231 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.863 2.710 6.584 1.00 0.00 C ATOM 1898 CZ TYR A 118 -8.322 2.040 5.472 1.00 0.00 C ATOM 1899 OH TYR A 118 -9.330 1.111 5.603 1.00 0.00 O ATOM 0 H TYR A 118 -3.725 6.939 4.846 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.404 5.645 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.248 4.431 4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.978 5.387 6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.335 3.415 3.131 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.496 4.166 7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.138 1.763 3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.293 2.509 7.554 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.602 1.054 6.543 1.00 0.00 H new ATOM 1909 N ALA A 119 -7.073 7.224 5.467 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.380 7.777 5.827 1.00 0.00 C ATOM 1911 C ALA A 119 -8.789 8.866 4.835 1.00 0.00 C ATOM 1912 O ALA A 119 -9.958 8.993 4.473 1.00 0.00 O ATOM 1913 CB ALA A 119 -8.353 8.327 7.249 1.00 0.00 C ATOM 0 H ALA A 119 -6.351 7.355 6.175 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.119 6.977 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.332 8.734 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.104 7.525 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.603 9.115 7.320 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.798 9.628 4.395 1.00 0.00 N ATOM 1920 CA ARG A 120 -7.985 10.712 3.435 1.00 0.00 C ATOM 1921 C ARG A 120 -8.674 10.204 2.169 1.00 0.00 C ATOM 1922 O ARG A 120 -9.809 10.583 1.869 1.00 0.00 O ATOM 1923 CB ARG A 120 -6.607 11.311 3.097 1.00 0.00 C ATOM 1924 CG ARG A 120 -6.595 12.414 2.035 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.237 13.709 2.522 1.00 0.00 C ATOM 1926 NE ARG A 120 -8.664 13.779 2.201 1.00 0.00 N ATOM 1927 CZ ARG A 120 -9.541 14.540 2.854 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -9.173 15.179 3.961 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -10.791 14.640 2.415 1.00 0.00 N ATOM 0 H ARG A 120 -6.830 9.512 4.696 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.625 11.479 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.173 11.712 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.955 10.504 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.566 12.614 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.122 12.064 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.105 13.793 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.724 14.558 2.071 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.008 13.209 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.219 15.086 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.845 15.762 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.079 14.134 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.462 15.223 2.915 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.000 9.307 1.460 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.463 8.856 0.151 1.00 0.00 C ATOM 1945 C PHE A 121 -9.820 8.157 0.242 1.00 0.00 C ATOM 1946 O PHE A 121 -10.735 8.474 -0.515 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.436 7.919 -0.498 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.846 7.449 -1.874 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.796 8.313 -2.959 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.290 6.149 -2.080 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.180 7.892 -4.217 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.676 5.725 -3.336 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.621 6.596 -4.405 1.00 0.00 C ATOM 0 H PHE A 121 -7.129 8.876 1.769 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.579 9.743 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.477 8.433 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.287 7.052 0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.453 9.327 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.334 5.462 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.136 8.575 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.021 4.712 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.922 6.265 -5.388 1.00 0.00 H new ATOM 1963 N VAL A 122 -9.952 7.226 1.182 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.168 6.418 1.290 1.00 0.00 C ATOM 1965 C VAL A 122 -12.376 7.260 1.722 1.00 0.00 C ATOM 1966 O VAL A 122 -13.517 6.796 1.659 1.00 0.00 O ATOM 1967 CB VAL A 122 -10.990 5.230 2.272 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -9.829 4.338 1.836 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.796 5.723 3.706 1.00 0.00 C ATOM 0 H VAL A 122 -9.238 7.011 1.878 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.356 6.021 0.293 1.00 0.00 H new ATOM 0 HB VAL A 122 -11.902 4.634 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.722 3.511 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.027 3.944 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -8.908 4.921 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.674 4.868 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.908 6.352 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.668 6.300 4.013 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.124 8.490 2.177 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.203 9.406 2.559 1.00 0.00 C ATOM 1981 C LYS A 123 -13.390 10.505 1.513 1.00 0.00 C ATOM 1982 O LYS A 123 -14.376 11.248 1.547 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.915 10.035 3.929 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.011 9.052 5.097 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.917 9.762 6.448 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.614 10.543 6.598 1.00 0.00 C ATOM 1987 NZ LYS A 123 -11.549 11.271 7.892 1.00 0.00 N ATOM 0 H LYS A 123 -11.186 8.874 2.290 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.124 8.827 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.916 10.470 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.616 10.852 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.954 8.508 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.212 8.315 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.761 10.442 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.993 9.027 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -10.770 9.858 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.520 11.254 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.649 11.788 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -12.340 11.944 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.613 10.591 8.676 1.00 0.00 H new ATOM 2001 N SER A 124 -12.442 10.607 0.591 1.00 0.00 N ATOM 2002 CA SER A 124 -12.468 11.641 -0.443 1.00 0.00 C ATOM 2003 C SER A 124 -13.059 11.096 -1.754 1.00 0.00 C ATOM 2004 O SER A 124 -13.348 9.900 -1.855 1.00 0.00 O ATOM 2005 CB SER A 124 -11.043 12.162 -0.656 1.00 0.00 C ATOM 2006 OG SER A 124 -10.520 12.679 0.556 1.00 0.00 O ATOM 0 H SER A 124 -11.638 9.982 0.536 1.00 0.00 H new ATOM 0 HA SER A 124 -13.109 12.461 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.405 11.357 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.043 12.939 -1.420 1.00 0.00 H new ATOM 0 HG SER A 124 -10.491 11.968 1.229 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.297 11.979 -2.756 1.00 0.00 N ATOM 2013 CA PRO A 125 -13.748 11.563 -4.096 1.00 0.00 C ATOM 2014 C PRO A 125 -12.809 10.548 -4.755 1.00 0.00 C ATOM 2015 O PRO A 125 -11.816 10.124 -4.159 1.00 0.00 O ATOM 2016 CB PRO A 125 -13.758 12.875 -4.895 1.00 0.00 C ATOM 2017 CG PRO A 125 -13.931 13.938 -3.870 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.197 13.452 -2.651 1.00 0.00 C ATOM 0 HA PRO A 125 -14.715 11.061 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -12.830 13.008 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -14.570 12.890 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.525 14.888 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.986 14.103 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.159 13.785 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.654 13.821 -1.733 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.142 10.170 -5.991 1.00 0.00 N ATOM 2027 CA LEU A 126 -12.393 9.180 -6.774 1.00 0.00 C ATOM 2028 C LEU A 126 -12.663 7.763 -6.282 1.00 0.00 C ATOM 2029 O LEU A 126 -12.882 6.858 -7.088 1.00 0.00 O ATOM 2030 CB LEU A 126 -10.885 9.478 -6.779 1.00 0.00 C ATOM 2031 CG LEU A 126 -10.492 10.776 -7.497 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.014 11.097 -7.276 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -10.806 10.679 -8.990 1.00 0.00 C ATOM 0 H LEU A 126 -13.951 10.547 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.747 9.254 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.535 9.528 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.365 8.645 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.080 11.590 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -8.761 12.021 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.823 11.216 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.403 10.283 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.521 11.608 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.248 9.851 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.874 10.509 -9.127 1.00 0.00 H new ATOM 2045 N TYR A 127 -12.656 7.575 -4.964 1.00 0.00 N ATOM 2046 CA TYR A 127 -12.915 6.270 -4.370 1.00 0.00 C ATOM 2047 C TYR A 127 -14.227 5.683 -4.898 1.00 0.00 C ATOM 2048 O TYR A 127 -14.226 4.644 -5.560 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.951 6.374 -2.835 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.178 5.047 -2.125 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -12.712 3.853 -2.667 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -13.850 4.989 -0.908 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -12.908 2.648 -2.021 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.050 3.786 -0.256 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.577 2.618 -0.818 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.765 1.417 -0.169 1.00 0.00 O ATOM 0 H TYR A 127 -12.473 8.315 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.103 5.600 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.010 6.802 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.742 7.067 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.187 3.869 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -14.222 5.901 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.538 1.732 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -14.574 3.761 0.688 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.664 1.393 0.220 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.341 6.369 -4.640 1.00 0.00 N ATOM 2067 CA ARG A 128 -16.650 5.843 -5.021 1.00 0.00 C ATOM 2068 C ARG A 128 -16.837 5.869 -6.541 1.00 0.00 C ATOM 2069 O ARG A 128 -17.624 5.089 -7.088 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.792 6.569 -4.275 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.922 8.074 -4.532 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.720 8.390 -5.796 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.209 9.772 -5.798 1.00 0.00 N ATOM 2074 CZ ARG A 128 -19.659 10.414 -6.878 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.599 9.840 -8.074 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -20.160 11.639 -6.758 1.00 0.00 N ATOM 0 H ARG A 128 -15.364 7.277 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 128 -16.693 4.798 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.734 6.093 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.653 6.415 -3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -18.405 8.544 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -16.927 8.511 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.094 8.225 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -19.564 7.705 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 128 -19.205 10.278 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.207 8.903 -8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.945 10.336 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -20.200 12.086 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -20.505 12.132 -7.582 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.098 6.745 -7.229 1.00 0.00 N ATOM 2091 CA GLU A 129 -16.111 6.754 -8.690 1.00 0.00 C ATOM 2092 C GLU A 129 -15.499 5.456 -9.225 1.00 0.00 C ATOM 2093 O GLU A 129 -15.900 4.957 -10.278 1.00 0.00 O ATOM 2094 CB GLU A 129 -15.364 7.976 -9.260 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.084 9.313 -9.040 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.708 10.010 -7.739 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -15.839 9.395 -6.661 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -15.272 11.185 -7.787 1.00 0.00 O ATOM 0 H GLU A 129 -15.492 7.446 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.149 6.825 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -14.376 8.029 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -15.213 7.829 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -15.859 9.977 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.160 9.141 -9.051 1.00 0.00 H new ATOM 2105 N CYS A 130 -14.536 4.909 -8.484 1.00 0.00 N ATOM 2106 CA CYS A 130 -13.915 3.636 -8.842 1.00 0.00 C ATOM 2107 C CYS A 130 -14.828 2.466 -8.470 1.00 0.00 C ATOM 2108 O CYS A 130 -14.748 1.394 -9.069 1.00 0.00 O ATOM 2109 CB CYS A 130 -12.550 3.491 -8.159 1.00 0.00 C ATOM 2110 SG CYS A 130 -11.360 4.770 -8.626 1.00 0.00 S ATOM 0 H CYS A 130 -14.169 5.329 -7.630 1.00 0.00 H new ATOM 0 HA CYS A 130 -13.763 3.622 -9.921 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.691 3.516 -7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.134 2.514 -8.404 1.00 0.00 H new ATOM 0 HG CYS A 130 -11.717 5.906 -8.104 1.00 0.00 H new ATOM 2116 N LEU A 131 -15.693 2.676 -7.472 1.00 0.00 N ATOM 2117 CA LEU A 131 -16.680 1.664 -7.082 1.00 0.00 C ATOM 2118 C LEU A 131 -17.609 1.346 -8.249 1.00 0.00 C ATOM 2119 O LEU A 131 -17.928 0.180 -8.493 1.00 0.00 O ATOM 2120 CB LEU A 131 -17.496 2.119 -5.855 1.00 0.00 C ATOM 2121 CG LEU A 131 -16.929 1.700 -4.485 1.00 0.00 C ATOM 2122 CD1 LEU A 131 -15.494 2.178 -4.312 1.00 0.00 C ATOM 2123 CD2 LEU A 131 -17.814 2.224 -3.353 1.00 0.00 C ATOM 0 H LEU A 131 -15.730 3.534 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 131 -16.138 0.759 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -17.577 3.206 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -18.507 1.722 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 131 -16.924 0.611 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -15.122 1.867 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -14.869 1.745 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -15.462 3.265 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -17.397 1.918 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -17.857 3.312 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -18.819 1.816 -3.458 1.00 0.00 H new ATOM 2135 N LEU A 132 -18.038 2.395 -8.956 1.00 0.00 N ATOM 2136 CA LEU A 132 -18.896 2.254 -10.140 1.00 0.00 C ATOM 2137 C LEU A 132 -20.278 1.721 -9.730 1.00 0.00 C ATOM 2138 O LEU A 132 -21.259 2.465 -9.738 1.00 0.00 O ATOM 2139 CB LEU A 132 -18.228 1.328 -11.188 1.00 0.00 C ATOM 2140 CG LEU A 132 -18.611 1.567 -12.667 1.00 0.00 C ATOM 2141 CD1 LEU A 132 -17.854 0.601 -13.576 1.00 0.00 C ATOM 2142 CD2 LEU A 132 -20.115 1.439 -12.893 1.00 0.00 C ATOM 0 H LEU A 132 -17.803 3.361 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 132 -19.030 3.234 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -17.147 1.432 -11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -18.472 0.296 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 132 -18.327 2.589 -12.917 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -18.135 0.782 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -16.781 0.755 -13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -18.105 -0.425 -13.306 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -20.341 1.614 -13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -20.441 0.437 -12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -20.639 2.174 -12.282 1.00 0.00 H new ATOM 2154 N ALA A 133 -20.336 0.426 -9.392 1.00 0.00 N ATOM 2155 CA ALA A 133 -21.552 -0.235 -8.894 1.00 0.00 C ATOM 2156 C ALA A 133 -22.592 -0.476 -9.996 1.00 0.00 C ATOM 2157 O ALA A 133 -23.229 -1.532 -10.034 1.00 0.00 O ATOM 2158 CB ALA A 133 -22.168 0.550 -7.736 1.00 0.00 C ATOM 0 H ALA A 133 -19.533 -0.199 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 133 -21.243 -1.215 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -23.065 0.039 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -21.449 0.619 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -22.429 1.553 -8.074 1.00 0.00 H new ATOM 2164 N GLU A 134 -22.757 0.495 -10.890 1.00 0.00 N ATOM 2165 CA GLU A 134 -23.766 0.423 -11.948 1.00 0.00 C ATOM 2166 C GLU A 134 -23.455 -0.707 -12.937 1.00 0.00 C ATOM 2167 O GLU A 134 -24.334 -1.167 -13.674 1.00 0.00 O ATOM 2168 CB GLU A 134 -23.836 1.766 -12.691 1.00 0.00 C ATOM 2169 CG GLU A 134 -25.227 2.114 -13.208 1.00 0.00 C ATOM 2170 CD GLU A 134 -26.185 2.457 -12.078 1.00 0.00 C ATOM 2171 OE1 GLU A 134 -26.842 1.542 -11.539 1.00 0.00 O ATOM 2172 OE2 GLU A 134 -26.272 3.649 -11.710 1.00 0.00 O ATOM 0 H GLU A 134 -22.200 1.349 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 134 -24.730 0.211 -11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -23.499 2.558 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -23.142 1.742 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -25.158 2.958 -13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -25.623 1.273 -13.777 1.00 0.00 H new ATOM 2179 N ALA A 135 -22.203 -1.152 -12.940 1.00 0.00 N ATOM 2180 CA ALA A 135 -21.741 -2.181 -13.855 1.00 0.00 C ATOM 2181 C ALA A 135 -20.653 -3.011 -13.187 1.00 0.00 C ATOM 2182 O ALA A 135 -19.710 -2.463 -12.610 1.00 0.00 O ATOM 2183 CB ALA A 135 -21.224 -1.554 -15.148 1.00 0.00 C ATOM 0 H ALA A 135 -21.482 -0.807 -12.306 1.00 0.00 H new ATOM 0 HA ALA A 135 -22.577 -2.834 -14.107 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -20.882 -2.339 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -22.026 -0.990 -15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -20.395 -0.884 -14.921 1.00 0.00 H new ATOM 2189 N GLU A 136 -20.817 -4.326 -13.252 1.00 0.00 N ATOM 2190 CA GLU A 136 -19.869 -5.279 -12.678 1.00 0.00 C ATOM 2191 C GLU A 136 -19.800 -5.116 -11.154 1.00 0.00 C ATOM 2192 O GLU A 136 -20.607 -5.702 -10.428 1.00 0.00 O ATOM 2193 CB GLU A 136 -18.473 -5.133 -13.317 1.00 0.00 C ATOM 2194 CG GLU A 136 -18.480 -5.215 -14.841 1.00 0.00 C ATOM 2195 CD GLU A 136 -17.084 -5.159 -15.440 1.00 0.00 C ATOM 2196 OE1 GLU A 136 -16.437 -6.224 -15.561 1.00 0.00 O ATOM 2197 OE2 GLU A 136 -16.622 -4.049 -15.792 1.00 0.00 O ATOM 0 H GLU A 136 -21.616 -4.767 -13.707 1.00 0.00 H new ATOM 0 HA GLU A 136 -20.225 -6.286 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -18.044 -4.177 -13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -17.821 -5.913 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -18.965 -6.141 -15.148 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -19.076 -4.395 -15.242 1.00 0.00 H new TER 2204 GLU A 136