USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1042 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -2.62 K(o=-17,f=-18!) USER MOD Set 1.2: A 56 THR OG1 : rot -160:sc= -2.4 USER MOD Set 1.3: A 107 MET CE :methyl -141:sc= -12! (180deg=-9.84!) USER MOD Set 2.1: A 28 GLN : amide:sc= -0.0616 K(o=-1.2,f=-2.5!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -1.11 X(o=-1.2,f=-1.1) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot -66:sc= 0.598 USER MOD Set 4.1: A 16 GLN : amide:sc=-0.00471 K(o=-0.0047,f=-0.65) USER MOD Set 4.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 7 THR OG1 : rot -47:sc= 0.0346 USER MOD Set 5.2: A 132 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 1 SER N :NH3+ -134:sc= 0.233 (180deg=0.00784) USER MOD Single : A 1 SER OG : rot 180:sc= 0.115 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.499 F(o=-1.9,f=-0.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 45 SER OG : rot 87:sc= 1.12 USER MOD Single : A 47 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.49) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00802) USER MOD Single : A 58 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 64 SER OG : rot 100:sc= -1.37 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.902! C(o=-4.8!,f=-0.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.26) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 170:sc= -1.38 USER MOD Single : A 89 ASN : amide:sc= -1.98! C(o=-2!,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot 37:sc= 0.0154 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl 179:sc= 0 (180deg=-0.00277) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 138 SER OG : rot -91:sc= 0.0649 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.255 -24.453 -3.490 1.00 0.00 N ATOM 2 CA SER A 1 13.017 -24.548 -2.027 1.00 0.00 C ATOM 3 C SER A 1 11.645 -23.997 -1.653 1.00 0.00 C ATOM 4 O SER A 1 11.347 -22.828 -1.900 1.00 0.00 O ATOM 5 CB SER A 1 14.115 -23.766 -1.303 1.00 0.00 C ATOM 6 OG SER A 1 14.473 -22.601 -2.026 1.00 0.00 O ATOM 0 H1 SER A 1 13.644 -25.353 -3.838 1.00 0.00 H new ATOM 0 H2 SER A 1 12.357 -24.254 -3.976 1.00 0.00 H new ATOM 0 H3 SER A 1 13.930 -23.686 -3.683 1.00 0.00 H new ATOM 0 HA SER A 1 13.041 -25.596 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.771 -23.488 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.992 -24.400 -1.172 1.00 0.00 H new ATOM 0 HG SER A 1 15.175 -22.118 -1.542 1.00 0.00 H new ATOM 14 N GLY A 2 10.814 -24.847 -1.056 1.00 0.00 N ATOM 15 CA GLY A 2 9.483 -24.427 -0.658 1.00 0.00 C ATOM 16 C GLY A 2 8.394 -25.225 -1.345 1.00 0.00 C ATOM 17 O GLY A 2 8.248 -25.167 -2.566 1.00 0.00 O ATOM 0 H GLY A 2 11.039 -25.818 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.380 -24.532 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.355 -23.369 -0.889 1.00 0.00 H new ATOM 21 N PHE A 3 7.627 -25.974 -0.558 1.00 0.00 N ATOM 22 CA PHE A 3 6.544 -26.789 -1.097 1.00 0.00 C ATOM 23 C PHE A 3 5.187 -26.262 -0.643 1.00 0.00 C ATOM 24 O PHE A 3 4.144 -26.710 -1.119 1.00 0.00 O ATOM 25 CB PHE A 3 6.710 -28.247 -0.661 1.00 0.00 C ATOM 26 CG PHE A 3 6.305 -29.238 -1.714 1.00 0.00 C ATOM 27 CD1 PHE A 3 7.175 -29.575 -2.738 1.00 0.00 C ATOM 28 CD2 PHE A 3 5.053 -29.833 -1.680 1.00 0.00 C ATOM 29 CE1 PHE A 3 6.805 -30.488 -3.708 1.00 0.00 C ATOM 30 CE2 PHE A 3 4.677 -30.746 -2.647 1.00 0.00 C ATOM 31 CZ PHE A 3 5.554 -31.073 -3.663 1.00 0.00 C ATOM 0 H PHE A 3 7.736 -26.033 0.454 1.00 0.00 H new ATOM 0 HA PHE A 3 6.589 -26.734 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.752 -28.421 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.116 -28.419 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.153 -29.119 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.363 -29.580 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.493 -30.744 -4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.699 -31.203 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.262 -31.785 -4.421 1.00 0.00 H new ATOM 41 N VAL A 4 5.209 -25.308 0.284 1.00 0.00 N ATOM 42 CA VAL A 4 3.980 -24.718 0.803 1.00 0.00 C ATOM 43 C VAL A 4 3.845 -23.262 0.372 1.00 0.00 C ATOM 44 O VAL A 4 2.745 -22.708 0.361 1.00 0.00 O ATOM 45 CB VAL A 4 3.926 -24.794 2.341 1.00 0.00 C ATOM 46 CG1 VAL A 4 2.514 -24.532 2.841 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.428 -26.145 2.829 1.00 0.00 C ATOM 0 H VAL A 4 6.064 -24.928 0.690 1.00 0.00 H new ATOM 0 HA VAL A 4 3.153 -25.295 0.389 1.00 0.00 H new ATOM 0 HB VAL A 4 4.580 -24.021 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.497 -24.590 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.195 -23.539 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.837 -25.279 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.382 -26.179 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.804 -26.936 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.459 -26.289 2.505 1.00 0.00 H new ATOM 57 N CYS A 5 4.970 -22.648 0.018 1.00 0.00 N ATOM 58 CA CYS A 5 4.978 -21.255 -0.416 1.00 0.00 C ATOM 59 C CYS A 5 4.121 -21.069 -1.664 1.00 0.00 C ATOM 60 O CYS A 5 4.565 -21.342 -2.779 1.00 0.00 O ATOM 61 CB CYS A 5 6.410 -20.795 -0.694 1.00 0.00 C ATOM 62 SG CYS A 5 7.312 -20.235 0.786 1.00 0.00 S ATOM 0 H CYS A 5 5.888 -23.093 0.023 1.00 0.00 H new ATOM 0 HA CYS A 5 4.557 -20.648 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.961 -21.616 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.385 -19.982 -1.420 1.00 0.00 H new ATOM 67 N ASN A 6 2.891 -20.606 -1.467 1.00 0.00 N ATOM 68 CA ASN A 6 1.971 -20.385 -2.579 1.00 0.00 C ATOM 69 C ASN A 6 0.736 -19.614 -2.123 1.00 0.00 C ATOM 70 O ASN A 6 -0.386 -19.926 -2.521 1.00 0.00 O ATOM 71 CB ASN A 6 1.552 -21.722 -3.195 1.00 0.00 C ATOM 72 CG ASN A 6 1.675 -21.725 -4.706 1.00 0.00 C ATOM 73 OD1 ASN A 6 2.762 -21.914 -5.252 1.00 0.00 O ATOM 74 ND2 ASN A 6 0.556 -21.513 -5.391 1.00 0.00 N ATOM 0 H ASN A 6 2.508 -20.377 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 6 2.489 -19.791 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.170 -22.519 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.521 -21.940 -2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.577 -21.502 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.323 -21.361 -4.897 1.00 0.00 H new ATOM 81 N THR A 7 0.951 -18.602 -1.288 1.00 0.00 N ATOM 82 CA THR A 7 -0.145 -17.785 -0.780 1.00 0.00 C ATOM 83 C THR A 7 -0.440 -16.626 -1.726 1.00 0.00 C ATOM 84 O THR A 7 -1.244 -15.746 -1.413 1.00 0.00 O ATOM 85 CB THR A 7 0.191 -17.249 0.615 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.992 -16.942 1.331 1.00 0.00 O ATOM 87 CG2 THR A 7 1.051 -16.001 0.593 1.00 0.00 C ATOM 0 H THR A 7 1.873 -18.329 -0.949 1.00 0.00 H new ATOM 0 HA THR A 7 -1.033 -18.413 -0.714 1.00 0.00 H new ATOM 0 HB THR A 7 0.754 -18.046 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.593 -16.419 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.249 -15.678 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.994 -16.218 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.529 -15.209 0.057 1.00 0.00 H new ATOM 95 N CYS A 8 0.220 -16.624 -2.880 1.00 0.00 N ATOM 96 CA CYS A 8 0.032 -15.565 -3.861 1.00 0.00 C ATOM 97 C CYS A 8 -0.587 -16.100 -5.152 1.00 0.00 C ATOM 98 O CYS A 8 0.122 -16.383 -6.119 1.00 0.00 O ATOM 99 CB CYS A 8 1.366 -14.878 -4.158 1.00 0.00 C ATOM 100 SG CYS A 8 2.464 -14.736 -2.710 1.00 0.00 S ATOM 0 H CYS A 8 0.888 -17.343 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.659 -14.836 -3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.883 -15.434 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.170 -13.881 -4.552 1.00 0.00 H new ATOM 105 N PRO A 9 -1.924 -16.244 -5.183 1.00 0.00 N ATOM 106 CA PRO A 9 -2.637 -16.746 -6.360 1.00 0.00 C ATOM 107 C PRO A 9 -2.757 -15.697 -7.463 1.00 0.00 C ATOM 108 O PRO A 9 -2.121 -15.810 -8.511 1.00 0.00 O ATOM 109 CB PRO A 9 -4.015 -17.107 -5.806 1.00 0.00 C ATOM 110 CG PRO A 9 -4.211 -16.195 -4.644 1.00 0.00 C ATOM 111 CD PRO A 9 -2.844 -15.931 -4.070 1.00 0.00 C ATOM 0 HA PRO A 9 -2.117 -17.582 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.793 -16.964 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.056 -18.152 -5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.686 -15.265 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.863 -16.651 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.740 -14.896 -3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.648 -16.559 -3.201 1.00 0.00 H new ATOM 119 N GLU A 10 -3.579 -14.680 -7.222 1.00 0.00 N ATOM 120 CA GLU A 10 -3.787 -13.614 -8.196 1.00 0.00 C ATOM 121 C GLU A 10 -3.506 -12.244 -7.583 1.00 0.00 C ATOM 122 O GLU A 10 -2.449 -11.657 -7.813 1.00 0.00 O ATOM 123 CB GLU A 10 -5.218 -13.664 -8.735 1.00 0.00 C ATOM 124 CG GLU A 10 -5.548 -12.529 -9.690 1.00 0.00 C ATOM 125 CD GLU A 10 -5.846 -13.016 -11.095 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.833 -13.763 -11.267 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.094 -12.649 -12.022 1.00 0.00 O ATOM 0 H GLU A 10 -4.112 -14.572 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.088 -13.768 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.372 -14.614 -9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.914 -13.637 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.409 -11.978 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.712 -11.831 -9.721 1.00 0.00 H new ATOM 134 N LYS A 11 -4.464 -11.743 -6.806 1.00 0.00 N ATOM 135 CA LYS A 11 -4.329 -10.440 -6.159 1.00 0.00 C ATOM 136 C LYS A 11 -3.005 -10.335 -5.410 1.00 0.00 C ATOM 137 O LYS A 11 -2.345 -9.298 -5.436 1.00 0.00 O ATOM 138 CB LYS A 11 -5.492 -10.205 -5.194 1.00 0.00 C ATOM 139 CG LYS A 11 -6.858 -10.293 -5.856 1.00 0.00 C ATOM 140 CD LYS A 11 -7.978 -10.088 -4.849 1.00 0.00 C ATOM 141 CE LYS A 11 -8.740 -8.801 -5.119 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.188 -8.935 -4.798 1.00 0.00 N ATOM 0 H LYS A 11 -5.343 -12.221 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.347 -9.675 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.439 -10.938 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.381 -9.222 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.932 -9.542 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.970 -11.266 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.664 -10.934 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.563 -10.062 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.310 -7.993 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.625 -8.524 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.672 -8.036 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.605 -9.688 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.300 -9.174 -3.792 1.00 0.00 H new ATOM 156 N TRP A 12 -2.624 -11.420 -4.749 1.00 0.00 N ATOM 157 CA TRP A 12 -1.381 -11.465 -3.996 1.00 0.00 C ATOM 158 C TRP A 12 -0.184 -11.486 -4.944 1.00 0.00 C ATOM 159 O TRP A 12 -0.262 -12.039 -6.041 1.00 0.00 O ATOM 160 CB TRP A 12 -1.347 -12.701 -3.096 1.00 0.00 C ATOM 161 CG TRP A 12 -2.359 -12.676 -1.991 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.711 -12.525 -2.116 1.00 0.00 C ATOM 163 CD2 TRP A 12 -2.100 -12.815 -0.589 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.306 -12.558 -0.879 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.338 -12.736 0.075 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.940 -12.998 0.169 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.447 -12.835 1.460 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -1.050 -13.095 1.544 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.296 -13.013 2.176 1.00 0.00 C ATOM 0 H TRP A 12 -3.163 -12.285 -4.720 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.326 -10.571 -3.374 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.513 -13.588 -3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.352 -12.795 -2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.235 -12.398 -3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.306 -12.465 -0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.025 -13.063 -0.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.407 -12.773 1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.160 -13.236 2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.349 -13.092 3.252 1.00 0.00 H new ATOM 180 N ILE A 13 0.919 -10.881 -4.519 1.00 0.00 N ATOM 181 CA ILE A 13 2.128 -10.833 -5.338 1.00 0.00 C ATOM 182 C ILE A 13 3.381 -11.093 -4.502 1.00 0.00 C ATOM 183 O ILE A 13 3.616 -10.424 -3.500 1.00 0.00 O ATOM 184 CB ILE A 13 2.280 -9.472 -6.045 1.00 0.00 C ATOM 185 CG1 ILE A 13 0.974 -8.665 -5.970 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.710 -9.681 -7.485 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.032 -8.891 -7.138 1.00 0.00 C ATOM 0 H ILE A 13 1.003 -10.417 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 13 2.023 -11.618 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 13 3.051 -8.897 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.456 -8.920 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.219 -7.604 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.815 -8.714 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.665 -10.205 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.959 -10.274 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.864 -8.284 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.529 -8.608 -8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.246 -9.944 -7.182 1.00 0.00 H new ATOM 199 N ASN A 14 4.185 -12.065 -4.929 1.00 0.00 N ATOM 200 CA ASN A 14 5.417 -12.414 -4.222 1.00 0.00 C ATOM 201 C ASN A 14 6.648 -11.943 -4.989 1.00 0.00 C ATOM 202 O ASN A 14 6.619 -11.817 -6.213 1.00 0.00 O ATOM 203 CB ASN A 14 5.490 -13.923 -3.988 1.00 0.00 C ATOM 204 CG ASN A 14 6.830 -14.360 -3.426 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.058 -14.077 -2.149 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.651 -14.946 -4.133 1.00 0.00 N flip ATOM 0 H ASN A 14 4.006 -12.626 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 14 5.402 -11.905 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.697 -14.220 -3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.307 -14.442 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.434 -15.143 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.548 -15.234 -3.741 1.00 0.00 H new ATOM 213 N PHE A 15 7.727 -11.676 -4.256 1.00 0.00 N ATOM 214 CA PHE A 15 8.968 -11.209 -4.863 1.00 0.00 C ATOM 215 C PHE A 15 10.161 -12.033 -4.374 1.00 0.00 C ATOM 216 O PHE A 15 10.136 -13.262 -4.432 1.00 0.00 O ATOM 217 CB PHE A 15 9.181 -9.726 -4.549 1.00 0.00 C ATOM 218 CG PHE A 15 7.923 -8.911 -4.620 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.525 -8.324 -5.810 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.137 -8.733 -3.494 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.366 -7.575 -5.876 1.00 0.00 C ATOM 222 CE2 PHE A 15 5.978 -7.985 -3.552 1.00 0.00 C ATOM 223 CZ PHE A 15 5.591 -7.405 -4.744 1.00 0.00 C ATOM 0 H PHE A 15 7.765 -11.776 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 15 8.890 -11.335 -5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.609 -9.632 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.910 -9.316 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.128 -8.453 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.434 -9.185 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.066 -7.123 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.375 -7.854 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.685 -6.820 -4.792 1.00 0.00 H new ATOM 233 N GLN A 16 11.203 -11.350 -3.899 1.00 0.00 N ATOM 234 CA GLN A 16 12.400 -12.021 -3.405 1.00 0.00 C ATOM 235 C GLN A 16 12.040 -13.106 -2.396 1.00 0.00 C ATOM 236 O GLN A 16 12.565 -14.219 -2.458 1.00 0.00 O ATOM 237 CB GLN A 16 13.353 -11.009 -2.764 1.00 0.00 C ATOM 238 CG GLN A 16 12.659 -10.018 -1.844 1.00 0.00 C ATOM 239 CD GLN A 16 13.574 -8.889 -1.408 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.379 -8.388 -2.194 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.454 -8.483 -0.149 1.00 0.00 N ATOM 0 H GLN A 16 11.240 -10.332 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 16 12.897 -12.490 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.113 -11.547 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.870 -10.460 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.791 -9.601 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.290 -10.543 -0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.773 -8.927 0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.043 -7.727 0.201 1.00 0.00 H new ATOM 250 N ARG A 17 11.140 -12.782 -1.473 1.00 0.00 N ATOM 251 CA ARG A 17 10.715 -13.740 -0.459 1.00 0.00 C ATOM 252 C ARG A 17 9.451 -13.275 0.255 1.00 0.00 C ATOM 253 O ARG A 17 8.925 -13.975 1.120 1.00 0.00 O ATOM 254 CB ARG A 17 11.834 -13.973 0.557 1.00 0.00 C ATOM 255 CG ARG A 17 12.469 -12.691 1.069 1.00 0.00 C ATOM 256 CD ARG A 17 12.707 -12.748 2.570 1.00 0.00 C ATOM 257 NE ARG A 17 13.056 -11.439 3.119 1.00 0.00 N ATOM 258 CZ ARG A 17 13.251 -11.211 4.413 1.00 0.00 C ATOM 259 NH1 ARG A 17 13.131 -12.199 5.290 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.567 -9.994 4.833 1.00 0.00 N ATOM 0 H ARG A 17 10.693 -11.868 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 17 10.490 -14.678 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.435 -14.533 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.605 -14.593 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.416 -12.522 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.824 -11.845 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.811 -13.122 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.508 -13.456 2.784 1.00 0.00 H new ATOM 0 HE ARG A 17 13.155 -10.657 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.888 -13.137 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.281 -12.021 6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.661 -9.231 4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.716 -9.820 5.827 1.00 0.00 H new ATOM 274 N LYS A 18 8.962 -12.097 -0.113 1.00 0.00 N ATOM 275 CA LYS A 18 7.757 -11.556 0.491 1.00 0.00 C ATOM 276 C LYS A 18 6.635 -11.481 -0.521 1.00 0.00 C ATOM 277 O LYS A 18 6.862 -11.445 -1.727 1.00 0.00 O ATOM 278 CB LYS A 18 7.996 -10.167 1.067 1.00 0.00 C ATOM 279 CG LYS A 18 8.258 -9.113 0.009 1.00 0.00 C ATOM 280 CD LYS A 18 9.622 -8.475 0.193 1.00 0.00 C ATOM 281 CE LYS A 18 9.505 -7.068 0.755 1.00 0.00 C ATOM 282 NZ LYS A 18 10.816 -6.553 1.240 1.00 0.00 N ATOM 0 H LYS A 18 9.383 -11.501 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 18 7.477 -12.231 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.128 -9.872 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.846 -10.206 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.196 -9.565 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.486 -8.346 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.224 -9.087 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.143 -8.444 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.115 -6.401 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.787 -7.063 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.694 -5.591 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.177 -7.175 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.494 -6.533 0.452 1.00 0.00 H new ATOM 296 N CYS A 19 5.430 -11.440 -0.007 1.00 0.00 N ATOM 297 CA CYS A 19 4.245 -11.353 -0.836 1.00 0.00 C ATOM 298 C CYS A 19 3.411 -10.147 -0.432 1.00 0.00 C ATOM 299 O CYS A 19 3.627 -9.558 0.625 1.00 0.00 O ATOM 300 CB CYS A 19 3.417 -12.637 -0.735 1.00 0.00 C ATOM 301 SG CYS A 19 2.177 -12.834 -2.057 1.00 0.00 S ATOM 0 H CYS A 19 5.240 -11.466 0.995 1.00 0.00 H new ATOM 0 HA CYS A 19 4.556 -11.232 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.091 -13.493 -0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.909 -12.653 0.229 1.00 0.00 H new ATOM 306 N TYR A 20 2.463 -9.786 -1.279 1.00 0.00 N ATOM 307 CA TYR A 20 1.594 -8.650 -1.020 1.00 0.00 C ATOM 308 C TYR A 20 0.143 -9.087 -1.080 1.00 0.00 C ATOM 309 O TYR A 20 -0.267 -9.762 -2.019 1.00 0.00 O ATOM 310 CB TYR A 20 1.812 -7.543 -2.061 1.00 0.00 C ATOM 311 CG TYR A 20 3.001 -6.637 -1.814 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.019 -6.987 -0.934 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.096 -5.418 -2.473 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.096 -6.146 -0.721 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.167 -4.572 -2.266 1.00 0.00 C ATOM 316 CZ TYR A 20 5.165 -4.940 -1.389 1.00 0.00 C ATOM 317 OH TYR A 20 6.236 -4.101 -1.179 1.00 0.00 O ATOM 0 H TYR A 20 2.274 -10.267 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 20 1.834 -8.264 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.929 -8.008 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.913 -6.929 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.968 -7.929 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.316 -5.126 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.880 -6.432 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.223 -3.628 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 20 6.132 -3.295 -1.726 1.00 0.00 H new ATOM 327 N TYR A 21 -0.634 -8.683 -0.093 1.00 0.00 N ATOM 328 CA TYR A 21 -2.041 -9.021 -0.059 1.00 0.00 C ATOM 329 C TYR A 21 -2.837 -7.844 -0.602 1.00 0.00 C ATOM 330 O TYR A 21 -2.916 -6.786 0.020 1.00 0.00 O ATOM 331 CB TYR A 21 -2.464 -9.359 1.375 1.00 0.00 C ATOM 332 CG TYR A 21 -3.953 -9.265 1.627 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.869 -9.770 0.712 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.437 -8.673 2.783 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.225 -9.685 0.943 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.792 -8.585 3.025 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.685 -9.092 2.102 1.00 0.00 C ATOM 338 OH TYR A 21 -8.038 -9.005 2.338 1.00 0.00 O ATOM 0 H TYR A 21 -0.313 -8.120 0.695 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.234 -9.898 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.131 -10.370 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.949 -8.686 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.513 -10.236 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.741 -8.274 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.924 -10.080 0.221 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.153 -8.122 3.932 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.192 -8.561 3.198 1.00 0.00 H new ATOM 348 N PHE A 22 -3.398 -8.035 -1.787 1.00 0.00 N ATOM 349 CA PHE A 22 -4.161 -6.997 -2.456 1.00 0.00 C ATOM 350 C PHE A 22 -5.660 -7.205 -2.253 1.00 0.00 C ATOM 351 O PHE A 22 -6.195 -8.271 -2.562 1.00 0.00 O ATOM 352 CB PHE A 22 -3.805 -7.012 -3.948 1.00 0.00 C ATOM 353 CG PHE A 22 -2.445 -6.431 -4.269 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.585 -6.029 -3.256 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.029 -6.289 -5.585 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.343 -5.495 -3.550 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.784 -5.758 -5.884 1.00 0.00 C ATOM 358 CZ PHE A 22 0.060 -5.360 -4.862 1.00 0.00 C ATOM 0 H PHE A 22 -3.337 -8.910 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.908 -6.026 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.842 -8.040 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.564 -6.454 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.889 -6.134 -2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.684 -6.596 -6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.312 -5.183 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.473 -5.655 -6.913 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.031 -4.945 -5.091 1.00 0.00 H new ATOM 368 N GLY A 23 -6.332 -6.184 -1.725 1.00 0.00 N ATOM 369 CA GLY A 23 -7.760 -6.281 -1.483 1.00 0.00 C ATOM 370 C GLY A 23 -8.522 -5.047 -1.917 1.00 0.00 C ATOM 371 O GLY A 23 -7.926 -4.030 -2.268 1.00 0.00 O ATOM 0 H GLY A 23 -5.912 -5.293 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.154 -7.149 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.931 -6.451 -0.420 1.00 0.00 H new ATOM 375 N LYS A 24 -9.849 -5.142 -1.889 1.00 0.00 N ATOM 376 CA LYS A 24 -10.708 -4.031 -2.278 1.00 0.00 C ATOM 377 C LYS A 24 -11.710 -3.704 -1.177 1.00 0.00 C ATOM 378 O LYS A 24 -12.109 -4.575 -0.404 1.00 0.00 O ATOM 379 CB LYS A 24 -11.443 -4.352 -3.579 1.00 0.00 C ATOM 380 CG LYS A 24 -12.458 -3.295 -3.987 1.00 0.00 C ATOM 381 CD LYS A 24 -13.578 -3.891 -4.823 1.00 0.00 C ATOM 382 CE LYS A 24 -14.483 -2.810 -5.392 1.00 0.00 C ATOM 383 NZ LYS A 24 -13.986 -2.300 -6.699 1.00 0.00 N ATOM 0 H LYS A 24 -10.352 -5.981 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.076 -3.158 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.712 -4.469 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.953 -5.309 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.877 -2.828 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.959 -2.509 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.153 -4.477 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.166 -4.575 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.490 -3.208 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.553 -1.985 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.631 -1.565 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.036 -1.896 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.944 -3.082 -7.383 1.00 0.00 H new ATOM 397 N GLY A 25 -12.110 -2.440 -1.118 1.00 0.00 N ATOM 398 CA GLY A 25 -13.063 -1.997 -0.117 1.00 0.00 C ATOM 399 C GLY A 25 -12.888 -0.532 0.241 1.00 0.00 C ATOM 400 O GLY A 25 -11.814 -0.118 0.678 1.00 0.00 O ATOM 0 H GLY A 25 -11.788 -1.708 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.076 -2.159 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.950 -2.604 0.782 1.00 0.00 H new ATOM 404 N THR A 26 -13.944 0.254 0.050 1.00 0.00 N ATOM 405 CA THR A 26 -13.903 1.683 0.351 1.00 0.00 C ATOM 406 C THR A 26 -13.663 1.924 1.839 1.00 0.00 C ATOM 407 O THR A 26 -14.376 1.385 2.686 1.00 0.00 O ATOM 408 CB THR A 26 -15.208 2.354 -0.080 1.00 0.00 C ATOM 409 OG1 THR A 26 -16.205 1.385 -0.352 1.00 0.00 O ATOM 410 CG2 THR A 26 -15.059 3.218 -1.313 1.00 0.00 C ATOM 0 H THR A 26 -14.839 -0.074 -0.312 1.00 0.00 H new ATOM 0 HA THR A 26 -13.074 2.120 -0.206 1.00 0.00 H new ATOM 0 HB THR A 26 -15.494 2.991 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.032 1.834 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.022 3.664 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.333 4.008 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.714 2.606 -2.147 1.00 0.00 H new ATOM 418 N LYS A 27 -12.657 2.740 2.148 1.00 0.00 N ATOM 419 CA LYS A 27 -12.323 3.055 3.535 1.00 0.00 C ATOM 420 C LYS A 27 -11.255 4.147 3.602 1.00 0.00 C ATOM 421 O LYS A 27 -11.183 5.010 2.727 1.00 0.00 O ATOM 422 CB LYS A 27 -11.837 1.798 4.260 1.00 0.00 C ATOM 423 CG LYS A 27 -12.571 1.527 5.563 1.00 0.00 C ATOM 424 CD LYS A 27 -13.535 0.360 5.428 1.00 0.00 C ATOM 425 CE LYS A 27 -13.591 -0.466 6.703 1.00 0.00 C ATOM 426 NZ LYS A 27 -14.515 0.127 7.709 1.00 0.00 N ATOM 0 H LYS A 27 -12.060 3.194 1.457 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.222 3.424 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.956 0.939 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.771 1.896 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.849 1.314 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.119 2.419 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.531 0.735 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.227 -0.273 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.915 -1.479 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.591 -0.543 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.525 -0.466 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.192 1.084 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.475 0.177 7.312 1.00 0.00 H new ATOM 440 N GLN A 28 -10.425 4.104 4.643 1.00 0.00 N ATOM 441 CA GLN A 28 -9.361 5.091 4.818 1.00 0.00 C ATOM 442 C GLN A 28 -8.010 4.407 5.018 1.00 0.00 C ATOM 443 O GLN A 28 -7.934 3.183 5.120 1.00 0.00 O ATOM 444 CB GLN A 28 -9.667 5.998 6.012 1.00 0.00 C ATOM 445 CG GLN A 28 -11.083 6.550 6.011 1.00 0.00 C ATOM 446 CD GLN A 28 -11.498 7.095 7.363 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.990 6.670 8.399 1.00 0.00 O ATOM 448 NE2 GLN A 28 -12.430 8.043 7.358 1.00 0.00 N ATOM 0 H GLN A 28 -10.469 3.397 5.377 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.311 5.697 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.505 5.438 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.962 6.829 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.160 7.341 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.775 5.763 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.824 8.366 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.751 8.448 8.238 1.00 0.00 H new ATOM 457 N TRP A 29 -6.946 5.206 5.072 1.00 0.00 N ATOM 458 CA TRP A 29 -5.599 4.674 5.258 1.00 0.00 C ATOM 459 C TRP A 29 -5.462 3.998 6.615 1.00 0.00 C ATOM 460 O TRP A 29 -4.984 2.868 6.711 1.00 0.00 O ATOM 461 CB TRP A 29 -4.558 5.789 5.124 1.00 0.00 C ATOM 462 CG TRP A 29 -3.162 5.339 5.435 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.264 4.787 4.566 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.506 5.398 6.708 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.090 4.500 5.221 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.214 4.867 6.536 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.885 5.849 7.974 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.300 4.776 7.583 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -1.978 5.759 9.014 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.699 5.226 8.812 1.00 0.00 C ATOM 0 H TRP A 29 -6.991 6.222 4.990 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.424 3.930 4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.587 6.183 4.108 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.825 6.608 5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.449 4.603 3.518 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.262 4.082 4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.870 6.261 8.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.687 4.365 7.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.260 6.105 9.997 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.013 5.169 9.644 1.00 0.00 H new ATOM 481 N VAL A 30 -5.887 4.697 7.660 1.00 0.00 N ATOM 482 CA VAL A 30 -5.815 4.164 9.014 1.00 0.00 C ATOM 483 C VAL A 30 -6.526 2.821 9.101 1.00 0.00 C ATOM 484 O VAL A 30 -6.145 1.953 9.886 1.00 0.00 O ATOM 485 CB VAL A 30 -6.434 5.133 10.037 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.523 6.329 10.262 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.815 5.584 9.581 1.00 0.00 C ATOM 0 H VAL A 30 -6.285 5.634 7.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.759 4.034 9.252 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.544 4.606 10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.979 7.002 10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.559 5.987 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.377 6.857 9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.236 6.268 10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.733 6.091 8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.466 4.716 9.479 1.00 0.00 H new ATOM 497 N HIS A 31 -7.559 2.656 8.287 1.00 0.00 N ATOM 498 CA HIS A 31 -8.316 1.416 8.269 1.00 0.00 C ATOM 499 C HIS A 31 -7.511 0.306 7.605 1.00 0.00 C ATOM 500 O HIS A 31 -7.639 -0.863 7.965 1.00 0.00 O ATOM 501 CB HIS A 31 -9.648 1.611 7.543 1.00 0.00 C ATOM 502 CG HIS A 31 -10.724 2.181 8.413 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.395 1.441 9.364 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.245 3.431 8.475 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.284 2.208 9.971 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.211 3.420 9.451 1.00 0.00 N ATOM 0 H HIS A 31 -7.890 3.365 7.632 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.521 1.126 9.300 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.494 2.271 6.689 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.981 0.651 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.955 4.277 7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.955 1.897 10.758 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.780 4.219 9.730 1.00 0.00 H new ATOM 515 N ALA A 32 -6.676 0.679 6.637 1.00 0.00 N ATOM 516 CA ALA A 32 -5.853 -0.296 5.935 1.00 0.00 C ATOM 517 C ALA A 32 -4.754 -0.826 6.844 1.00 0.00 C ATOM 518 O ALA A 32 -4.558 -2.034 6.955 1.00 0.00 O ATOM 519 CB ALA A 32 -5.250 0.322 4.683 1.00 0.00 C ATOM 0 H ALA A 32 -6.554 1.642 6.325 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.489 -1.131 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.638 -0.420 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.049 0.654 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.630 1.175 4.960 1.00 0.00 H new ATOM 525 N ARG A 33 -4.047 0.085 7.502 1.00 0.00 N ATOM 526 CA ARG A 33 -2.975 -0.296 8.408 1.00 0.00 C ATOM 527 C ARG A 33 -3.501 -1.180 9.532 1.00 0.00 C ATOM 528 O ARG A 33 -2.845 -2.141 9.936 1.00 0.00 O ATOM 529 CB ARG A 33 -2.291 0.945 8.989 1.00 0.00 C ATOM 530 CG ARG A 33 -3.252 1.934 9.623 1.00 0.00 C ATOM 531 CD ARG A 33 -3.206 1.862 11.141 1.00 0.00 C ATOM 532 NE ARG A 33 -3.994 2.923 11.764 1.00 0.00 N ATOM 533 CZ ARG A 33 -3.937 3.222 13.057 1.00 0.00 C ATOM 534 NH1 ARG A 33 -3.131 2.544 13.864 1.00 0.00 N ATOM 535 NH2 ARG A 33 -4.685 4.201 13.548 1.00 0.00 N ATOM 0 H ARG A 33 -4.198 1.091 7.424 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.241 -0.864 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.563 0.630 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.737 1.448 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.003 2.944 9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.266 1.729 9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.580 0.892 11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.171 1.935 11.476 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.624 3.465 11.172 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.553 1.791 13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.090 2.776 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.306 4.726 12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.639 4.429 14.541 1.00 0.00 H new ATOM 549 N TYR A 34 -4.687 -0.852 10.033 1.00 0.00 N ATOM 550 CA TYR A 34 -5.298 -1.620 11.110 1.00 0.00 C ATOM 551 C TYR A 34 -5.802 -2.970 10.609 1.00 0.00 C ATOM 552 O TYR A 34 -5.745 -3.970 11.326 1.00 0.00 O ATOM 553 CB TYR A 34 -6.450 -0.833 11.737 1.00 0.00 C ATOM 554 CG TYR A 34 -6.467 -0.884 13.248 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.966 -1.993 13.919 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.984 0.178 14.003 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.984 -2.044 15.300 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.998 0.134 15.385 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.499 -0.978 16.028 1.00 0.00 C ATOM 560 OH TYR A 34 -6.514 -1.024 17.403 1.00 0.00 O ATOM 0 H TYR A 34 -5.243 -0.060 9.711 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.534 -1.800 11.866 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.384 0.207 11.418 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.394 -1.224 11.358 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.346 -2.830 13.352 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.592 1.051 13.503 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.376 -2.914 15.806 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.618 0.967 15.958 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.136 -0.194 17.762 1.00 0.00 H new ATOM 570 N ALA A 35 -6.302 -2.990 9.379 1.00 0.00 N ATOM 571 CA ALA A 35 -6.826 -4.216 8.788 1.00 0.00 C ATOM 572 C ALA A 35 -5.715 -5.219 8.508 1.00 0.00 C ATOM 573 O ALA A 35 -5.885 -6.420 8.720 1.00 0.00 O ATOM 574 CB ALA A 35 -7.591 -3.903 7.512 1.00 0.00 C ATOM 0 H ALA A 35 -6.356 -2.172 8.772 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.508 -4.668 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.976 -4.828 7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.422 -3.236 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.924 -3.421 6.797 1.00 0.00 H new ATOM 580 N CYS A 36 -4.580 -4.724 8.037 1.00 0.00 N ATOM 581 CA CYS A 36 -3.446 -5.584 7.735 1.00 0.00 C ATOM 582 C CYS A 36 -2.730 -5.987 9.018 1.00 0.00 C ATOM 583 O CYS A 36 -2.090 -7.038 9.083 1.00 0.00 O ATOM 584 CB CYS A 36 -2.474 -4.878 6.786 1.00 0.00 C ATOM 585 SG CYS A 36 -3.282 -4.002 5.407 1.00 0.00 S ATOM 0 H CYS A 36 -4.420 -3.733 7.856 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.818 -6.484 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.880 -4.164 7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.782 -5.615 6.378 1.00 0.00 H new ATOM 590 N ASP A 37 -2.849 -5.145 10.039 1.00 0.00 N ATOM 591 CA ASP A 37 -2.221 -5.407 11.328 1.00 0.00 C ATOM 592 C ASP A 37 -2.981 -6.484 12.095 1.00 0.00 C ATOM 593 O ASP A 37 -2.428 -7.138 12.980 1.00 0.00 O ATOM 594 CB ASP A 37 -2.152 -4.125 12.159 1.00 0.00 C ATOM 595 CG ASP A 37 -0.726 -3.672 12.405 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.178 -2.946 11.549 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.158 -4.044 13.453 1.00 0.00 O ATOM 0 H ASP A 37 -3.376 -4.273 9.998 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.208 -5.764 11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.699 -3.333 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.649 -4.288 13.115 1.00 0.00 H new ATOM 602 N ASP A 38 -4.256 -6.653 11.756 1.00 0.00 N ATOM 603 CA ASP A 38 -5.102 -7.640 12.418 1.00 0.00 C ATOM 604 C ASP A 38 -4.525 -9.046 12.290 1.00 0.00 C ATOM 605 O ASP A 38 -4.577 -9.834 13.234 1.00 0.00 O ATOM 606 CB ASP A 38 -6.515 -7.603 11.832 1.00 0.00 C ATOM 607 CG ASP A 38 -7.574 -7.969 12.854 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.693 -7.251 13.868 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.284 -8.974 12.639 1.00 0.00 O ATOM 0 H ASP A 38 -4.726 -6.118 11.026 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.142 -7.386 13.477 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.718 -6.605 11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.574 -8.291 10.989 1.00 0.00 H new ATOM 614 N MET A 39 -3.976 -9.355 11.118 1.00 0.00 N ATOM 615 CA MET A 39 -3.392 -10.672 10.873 1.00 0.00 C ATOM 616 C MET A 39 -2.755 -10.755 9.488 1.00 0.00 C ATOM 617 O MET A 39 -1.824 -11.532 9.276 1.00 0.00 O ATOM 618 CB MET A 39 -4.459 -11.761 11.013 1.00 0.00 C ATOM 619 CG MET A 39 -5.686 -11.525 10.147 1.00 0.00 C ATOM 620 SD MET A 39 -7.229 -11.821 11.033 1.00 0.00 S ATOM 621 CE MET A 39 -7.739 -13.380 10.312 1.00 0.00 C ATOM 0 H MET A 39 -3.923 -8.715 10.326 1.00 0.00 H new ATOM 0 HA MET A 39 -2.611 -10.828 11.618 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.020 -12.724 10.752 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.768 -11.824 12.057 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.674 -10.499 9.779 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.641 -12.177 9.275 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.681 -13.697 10.759 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.870 -13.258 9.237 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.976 -14.135 10.501 1.00 0.00 H new ATOM 631 N GLU A 40 -3.268 -9.963 8.548 1.00 0.00 N ATOM 632 CA GLU A 40 -2.754 -9.956 7.181 1.00 0.00 C ATOM 633 C GLU A 40 -1.227 -9.912 7.160 1.00 0.00 C ATOM 634 O GLU A 40 -0.573 -10.953 7.077 1.00 0.00 O ATOM 635 CB GLU A 40 -3.329 -8.769 6.404 1.00 0.00 C ATOM 636 CG GLU A 40 -4.849 -8.726 6.393 1.00 0.00 C ATOM 637 CD GLU A 40 -5.471 -10.072 6.069 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.971 -10.753 5.150 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.458 -10.444 6.737 1.00 0.00 O ATOM 0 H GLU A 40 -4.041 -9.317 8.709 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.069 -10.882 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.951 -7.844 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.968 -8.809 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.206 -8.390 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.182 -7.991 5.661 1.00 0.00 H new ATOM 646 N GLY A 41 -0.660 -8.710 7.235 1.00 0.00 N ATOM 647 CA GLY A 41 0.789 -8.582 7.221 1.00 0.00 C ATOM 648 C GLY A 41 1.282 -7.261 7.781 1.00 0.00 C ATOM 649 O GLY A 41 1.433 -7.103 8.993 1.00 0.00 O ATOM 0 H GLY A 41 -1.171 -7.830 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.224 -9.398 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.146 -8.690 6.197 1.00 0.00 H new ATOM 653 N GLN A 42 1.558 -6.327 6.884 1.00 0.00 N ATOM 654 CA GLN A 42 2.067 -5.015 7.241 1.00 0.00 C ATOM 655 C GLN A 42 1.640 -4.036 6.177 1.00 0.00 C ATOM 656 O GLN A 42 1.281 -4.449 5.079 1.00 0.00 O ATOM 657 CB GLN A 42 3.594 -5.038 7.327 1.00 0.00 C ATOM 658 CG GLN A 42 4.220 -3.656 7.429 1.00 0.00 C ATOM 659 CD GLN A 42 5.731 -3.685 7.327 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.393 -4.502 7.967 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.285 -2.788 6.519 1.00 0.00 N ATOM 0 H GLN A 42 1.434 -6.461 5.881 1.00 0.00 H new ATOM 0 HA GLN A 42 1.671 -4.722 8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.892 -5.627 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.991 -5.543 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.819 -3.022 6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.933 -3.202 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.697 -2.130 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.299 -2.757 6.410 1.00 0.00 H new ATOM 670 N LEU A 43 1.676 -2.748 6.452 1.00 0.00 N ATOM 671 CA LEU A 43 1.285 -1.832 5.420 1.00 0.00 C ATOM 672 C LEU A 43 2.416 -1.800 4.409 1.00 0.00 C ATOM 673 O LEU A 43 3.536 -1.380 4.698 1.00 0.00 O ATOM 674 CB LEU A 43 1.023 -0.438 5.997 1.00 0.00 C ATOM 675 CG LEU A 43 -0.189 0.298 5.418 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.446 -0.540 5.553 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.370 1.641 6.107 1.00 0.00 C ATOM 0 H LEU A 43 1.959 -2.333 7.340 1.00 0.00 H new ATOM 0 HA LEU A 43 0.356 -2.153 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.890 -0.529 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.910 0.175 5.836 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.009 0.471 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.293 0.004 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.317 -1.479 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.633 -0.748 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.235 2.153 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.526 1.484 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.521 2.250 5.956 1.00 0.00 H new ATOM 689 N VAL A 44 2.086 -2.313 3.234 1.00 0.00 N ATOM 690 CA VAL A 44 3.003 -2.451 2.109 1.00 0.00 C ATOM 691 C VAL A 44 4.184 -1.496 2.152 1.00 0.00 C ATOM 692 O VAL A 44 5.329 -1.918 2.315 1.00 0.00 O ATOM 693 CB VAL A 44 2.248 -2.272 0.786 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.971 -3.623 0.162 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.951 -1.513 1.017 1.00 0.00 C ATOM 0 H VAL A 44 1.147 -2.655 3.029 1.00 0.00 H new ATOM 0 HA VAL A 44 3.415 -3.457 2.184 1.00 0.00 H new ATOM 0 HB VAL A 44 2.866 -1.692 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.435 -3.487 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.914 -4.135 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.365 -4.221 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.426 -1.393 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.323 -2.069 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.173 -0.531 1.435 1.00 0.00 H new ATOM 705 N SER A 45 3.905 -0.221 1.969 1.00 0.00 N ATOM 706 CA SER A 45 4.954 0.793 1.950 1.00 0.00 C ATOM 707 C SER A 45 5.896 0.513 0.786 1.00 0.00 C ATOM 708 O SER A 45 7.104 0.349 0.964 1.00 0.00 O ATOM 709 CB SER A 45 5.731 0.797 3.266 1.00 0.00 C ATOM 710 OG SER A 45 6.236 2.089 3.558 1.00 0.00 O ATOM 0 H SER A 45 2.962 0.143 1.831 1.00 0.00 H new ATOM 0 HA SER A 45 4.497 1.775 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.081 0.466 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.555 0.086 3.207 1.00 0.00 H new ATOM 0 HG SER A 45 5.554 2.607 4.034 1.00 0.00 H new ATOM 716 N ILE A 46 5.309 0.435 -0.400 1.00 0.00 N ATOM 717 CA ILE A 46 6.046 0.145 -1.626 1.00 0.00 C ATOM 718 C ILE A 46 7.304 0.996 -1.751 1.00 0.00 C ATOM 719 O ILE A 46 7.295 2.190 -1.456 1.00 0.00 O ATOM 720 CB ILE A 46 5.166 0.355 -2.878 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.825 0.989 -2.501 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.937 -0.968 -3.591 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.936 1.266 -3.688 1.00 0.00 C ATOM 0 H ILE A 46 4.308 0.571 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 46 6.338 -0.903 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 46 5.690 1.033 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.301 0.328 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.010 1.923 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.315 -0.804 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.896 -1.387 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.436 -1.663 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.003 1.715 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.441 1.951 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.721 0.332 -4.207 1.00 0.00 H new ATOM 735 N HIS A 47 8.386 0.361 -2.193 1.00 0.00 N ATOM 736 CA HIS A 47 9.663 1.042 -2.364 1.00 0.00 C ATOM 737 C HIS A 47 10.268 0.724 -3.727 1.00 0.00 C ATOM 738 O HIS A 47 11.341 1.219 -4.071 1.00 0.00 O ATOM 739 CB HIS A 47 10.635 0.632 -1.257 1.00 0.00 C ATOM 740 CG HIS A 47 10.684 -0.844 -1.019 1.00 0.00 C ATOM 741 ND1 HIS A 47 9.733 -1.521 -0.285 1.00 0.00 N ATOM 742 CD2 HIS A 47 11.578 -1.778 -1.424 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.040 -2.805 -0.247 1.00 0.00 C ATOM 744 NE2 HIS A 47 11.154 -2.989 -0.931 1.00 0.00 N ATOM 0 H HIS A 47 8.402 -0.629 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 47 9.485 2.116 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.634 0.983 -1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.350 1.132 -0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.460 -1.603 -2.023 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.475 -3.574 0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 47 11.623 -3.884 -1.071 1.00 0.00 H new ATOM 753 N SER A 48 9.570 -0.102 -4.503 1.00 0.00 N ATOM 754 CA SER A 48 10.033 -0.481 -5.827 1.00 0.00 C ATOM 755 C SER A 48 9.045 -0.014 -6.884 1.00 0.00 C ATOM 756 O SER A 48 7.873 -0.381 -6.845 1.00 0.00 O ATOM 757 CB SER A 48 10.217 -1.997 -5.914 1.00 0.00 C ATOM 758 OG SER A 48 11.229 -2.336 -6.847 1.00 0.00 O ATOM 0 H SER A 48 8.680 -0.520 -4.233 1.00 0.00 H new ATOM 0 HA SER A 48 10.995 -0.001 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.477 -2.392 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.277 -2.464 -6.207 1.00 0.00 H new ATOM 0 HG SER A 48 11.328 -3.310 -6.883 1.00 0.00 H new ATOM 764 N PRO A 49 9.504 0.804 -7.845 1.00 0.00 N ATOM 765 CA PRO A 49 8.644 1.313 -8.913 1.00 0.00 C ATOM 766 C PRO A 49 7.781 0.210 -9.514 1.00 0.00 C ATOM 767 O PRO A 49 6.665 0.458 -9.968 1.00 0.00 O ATOM 768 CB PRO A 49 9.645 1.848 -9.936 1.00 0.00 C ATOM 769 CG PRO A 49 10.817 2.269 -9.116 1.00 0.00 C ATOM 770 CD PRO A 49 10.891 1.294 -7.972 1.00 0.00 C ATOM 0 HA PRO A 49 7.937 2.066 -8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.921 1.082 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.231 2.685 -10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.734 2.250 -9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.693 3.289 -8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.586 0.481 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.232 1.776 -7.056 1.00 0.00 H new ATOM 778 N GLU A 50 8.304 -1.014 -9.492 1.00 0.00 N ATOM 779 CA GLU A 50 7.579 -2.162 -10.013 1.00 0.00 C ATOM 780 C GLU A 50 6.452 -2.557 -9.074 1.00 0.00 C ATOM 781 O GLU A 50 5.329 -2.814 -9.507 1.00 0.00 O ATOM 782 CB GLU A 50 8.517 -3.351 -10.205 1.00 0.00 C ATOM 783 CG GLU A 50 7.799 -4.622 -10.614 1.00 0.00 C ATOM 784 CD GLU A 50 8.632 -5.866 -10.378 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.488 -6.179 -11.231 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.429 -6.529 -9.338 1.00 0.00 O ATOM 0 H GLU A 50 9.228 -1.233 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 50 7.158 -1.879 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.259 -3.101 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.059 -3.531 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.866 -4.703 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.535 -4.562 -11.670 1.00 0.00 H new ATOM 793 N GLU A 51 6.765 -2.614 -7.785 1.00 0.00 N ATOM 794 CA GLU A 51 5.783 -2.989 -6.780 1.00 0.00 C ATOM 795 C GLU A 51 4.653 -1.969 -6.727 1.00 0.00 C ATOM 796 O GLU A 51 3.480 -2.335 -6.665 1.00 0.00 O ATOM 797 CB GLU A 51 6.452 -3.122 -5.412 1.00 0.00 C ATOM 798 CG GLU A 51 7.486 -4.234 -5.344 1.00 0.00 C ATOM 799 CD GLU A 51 8.093 -4.382 -3.964 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.625 -3.382 -3.438 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.037 -5.499 -3.407 1.00 0.00 O ATOM 0 H GLU A 51 7.691 -2.405 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 51 5.357 -3.954 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.931 -2.176 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.686 -3.304 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.021 -5.176 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.278 -4.033 -6.066 1.00 0.00 H new ATOM 808 N GLN A 52 5.011 -0.690 -6.765 1.00 0.00 N ATOM 809 CA GLN A 52 4.016 0.376 -6.736 1.00 0.00 C ATOM 810 C GLN A 52 3.141 0.304 -7.979 1.00 0.00 C ATOM 811 O GLN A 52 1.928 0.460 -7.903 1.00 0.00 O ATOM 812 CB GLN A 52 4.691 1.751 -6.626 1.00 0.00 C ATOM 813 CG GLN A 52 5.066 2.375 -7.965 1.00 0.00 C ATOM 814 CD GLN A 52 4.078 3.430 -8.438 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.405 4.257 -9.289 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.865 3.413 -7.893 1.00 0.00 N ATOM 0 H GLN A 52 5.977 -0.367 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 52 3.387 0.241 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.022 2.430 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.591 1.653 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.055 2.825 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.135 1.589 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.631 2.712 -7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.168 4.101 -8.178 1.00 0.00 H new ATOM 825 N ASP A 53 3.772 0.043 -9.116 1.00 0.00 N ATOM 826 CA ASP A 53 3.068 -0.080 -10.379 1.00 0.00 C ATOM 827 C ASP A 53 2.188 -1.319 -10.358 1.00 0.00 C ATOM 828 O ASP A 53 1.112 -1.344 -10.950 1.00 0.00 O ATOM 829 CB ASP A 53 4.061 -0.160 -11.538 1.00 0.00 C ATOM 830 CG ASP A 53 3.409 0.112 -12.880 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.973 1.260 -13.106 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.334 -0.823 -13.704 1.00 0.00 O ATOM 0 H ASP A 53 4.781 -0.088 -9.186 1.00 0.00 H new ATOM 0 HA ASP A 53 2.442 0.801 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.864 0.559 -11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.518 -1.149 -11.553 1.00 0.00 H new ATOM 837 N PHE A 54 2.678 -2.355 -9.687 1.00 0.00 N ATOM 838 CA PHE A 54 1.974 -3.617 -9.592 1.00 0.00 C ATOM 839 C PHE A 54 0.613 -3.452 -8.925 1.00 0.00 C ATOM 840 O PHE A 54 -0.408 -3.876 -9.467 1.00 0.00 O ATOM 841 CB PHE A 54 2.826 -4.591 -8.783 1.00 0.00 C ATOM 842 CG PHE A 54 3.273 -5.791 -9.558 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.416 -6.856 -9.761 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.553 -5.852 -10.081 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.825 -7.964 -10.474 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.971 -6.956 -10.795 1.00 0.00 C ATOM 847 CZ PHE A 54 4.106 -8.015 -10.993 1.00 0.00 C ATOM 0 H PHE A 54 3.572 -2.339 -9.197 1.00 0.00 H new ATOM 0 HA PHE A 54 1.805 -3.998 -10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.704 -4.065 -8.407 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.257 -4.922 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.415 -6.821 -9.357 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.232 -5.026 -9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.146 -8.790 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.972 -6.992 -11.198 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.429 -8.881 -11.552 1.00 0.00 H new ATOM 857 N LEU A 55 0.600 -2.818 -7.761 1.00 0.00 N ATOM 858 CA LEU A 55 -0.644 -2.582 -7.039 1.00 0.00 C ATOM 859 C LEU A 55 -1.437 -1.471 -7.702 1.00 0.00 C ATOM 860 O LEU A 55 -2.664 -1.517 -7.768 1.00 0.00 O ATOM 861 CB LEU A 55 -0.373 -2.226 -5.585 1.00 0.00 C ATOM 862 CG LEU A 55 0.872 -1.391 -5.352 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.518 0.082 -5.383 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.517 -1.772 -4.032 1.00 0.00 C ATOM 0 H LEU A 55 1.434 -2.458 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.227 -3.503 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.234 -1.685 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.287 -3.148 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 55 1.591 -1.586 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.417 0.676 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.093 0.334 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.211 0.298 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.410 -1.166 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.812 -1.597 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.793 -2.826 -4.053 1.00 0.00 H new ATOM 876 N THR A 56 -0.715 -0.468 -8.188 1.00 0.00 N ATOM 877 CA THR A 56 -1.323 0.669 -8.848 1.00 0.00 C ATOM 878 C THR A 56 -2.095 0.195 -10.072 1.00 0.00 C ATOM 879 O THR A 56 -3.190 0.680 -10.359 1.00 0.00 O ATOM 880 CB THR A 56 -0.235 1.682 -9.227 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.228 2.779 -8.332 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.360 2.233 -10.630 1.00 0.00 C ATOM 0 H THR A 56 0.303 -0.425 -8.134 1.00 0.00 H new ATOM 0 HA THR A 56 -2.026 1.161 -8.176 1.00 0.00 H new ATOM 0 HB THR A 56 0.695 1.116 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.227 3.540 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.448 2.941 -10.816 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.299 1.416 -11.349 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.319 2.740 -10.738 1.00 0.00 H new ATOM 890 N LYS A 57 -1.525 -0.780 -10.768 1.00 0.00 N ATOM 891 CA LYS A 57 -2.162 -1.355 -11.939 1.00 0.00 C ATOM 892 C LYS A 57 -3.280 -2.282 -11.491 1.00 0.00 C ATOM 893 O LYS A 57 -4.325 -2.379 -12.136 1.00 0.00 O ATOM 894 CB LYS A 57 -1.148 -2.124 -12.788 1.00 0.00 C ATOM 895 CG LYS A 57 -1.081 -1.654 -14.231 1.00 0.00 C ATOM 896 CD LYS A 57 0.207 -0.896 -14.510 1.00 0.00 C ATOM 897 CE LYS A 57 0.039 0.596 -14.271 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.689 1.258 -15.389 1.00 0.00 N ATOM 0 H LYS A 57 -0.619 -1.189 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.572 -0.552 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.161 -2.026 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.402 -3.184 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.151 -2.513 -14.898 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.936 -1.013 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.002 -1.280 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.515 -1.068 -15.541 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.504 0.756 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.019 1.057 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.695 2.287 -15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.214 1.042 -16.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.668 0.908 -15.422 1.00 0.00 H new ATOM 912 N HIS A 58 -3.053 -2.953 -10.363 1.00 0.00 N ATOM 913 CA HIS A 58 -4.038 -3.862 -9.802 1.00 0.00 C ATOM 914 C HIS A 58 -5.259 -3.082 -9.332 1.00 0.00 C ATOM 915 O HIS A 58 -6.378 -3.597 -9.330 1.00 0.00 O ATOM 916 CB HIS A 58 -3.437 -4.639 -8.630 1.00 0.00 C ATOM 917 CG HIS A 58 -4.209 -5.871 -8.274 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.150 -5.904 -7.266 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.177 -7.119 -8.798 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.662 -7.120 -7.184 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.089 -7.876 -8.103 1.00 0.00 N ATOM 0 H HIS A 58 -2.191 -2.881 -9.822 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.340 -4.569 -10.575 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.413 -4.920 -8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.387 -3.986 -7.759 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.410 -5.114 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.551 -7.457 -9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.420 -7.441 -6.485 1.00 0.00 H new ATOM 930 N ALA A 59 -5.029 -1.833 -8.933 1.00 0.00 N ATOM 931 CA ALA A 59 -6.102 -0.969 -8.458 1.00 0.00 C ATOM 932 C ALA A 59 -7.148 -0.739 -9.544 1.00 0.00 C ATOM 933 O ALA A 59 -6.988 0.132 -10.400 1.00 0.00 O ATOM 934 CB ALA A 59 -5.532 0.358 -7.983 1.00 0.00 C ATOM 0 H ALA A 59 -4.106 -1.398 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.593 -1.466 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.342 0.996 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.828 0.181 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.016 0.849 -8.808 1.00 0.00 H new ATOM 940 N SER A 60 -8.223 -1.521 -9.499 1.00 0.00 N ATOM 941 CA SER A 60 -9.299 -1.398 -10.475 1.00 0.00 C ATOM 942 C SER A 60 -10.286 -0.313 -10.057 1.00 0.00 C ATOM 943 O SER A 60 -11.222 -0.572 -9.300 1.00 0.00 O ATOM 944 CB SER A 60 -10.028 -2.734 -10.634 1.00 0.00 C ATOM 945 OG SER A 60 -9.279 -3.633 -11.432 1.00 0.00 O ATOM 0 H SER A 60 -8.371 -2.246 -8.797 1.00 0.00 H new ATOM 0 HA SER A 60 -8.860 -1.118 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.204 -3.174 -9.653 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.005 -2.567 -11.088 1.00 0.00 H new ATOM 0 HG SER A 60 -9.766 -4.479 -11.516 1.00 0.00 H new ATOM 951 N HIS A 61 -10.062 0.904 -10.549 1.00 0.00 N ATOM 952 CA HIS A 61 -10.926 2.035 -10.222 1.00 0.00 C ATOM 953 C HIS A 61 -10.935 2.292 -8.719 1.00 0.00 C ATOM 954 O HIS A 61 -11.804 2.997 -8.204 1.00 0.00 O ATOM 955 CB HIS A 61 -12.350 1.782 -10.719 1.00 0.00 C ATOM 956 CG HIS A 61 -12.749 2.657 -11.866 1.00 0.00 C ATOM 957 ND1 HIS A 61 -12.925 2.184 -13.150 1.00 0.00 N ATOM 958 CD2 HIS A 61 -13.008 3.986 -11.919 1.00 0.00 C ATOM 959 CE1 HIS A 61 -13.274 3.182 -13.942 1.00 0.00 C ATOM 960 NE2 HIS A 61 -13.331 4.286 -13.220 1.00 0.00 N ATOM 0 H HIS A 61 -9.290 1.131 -11.175 1.00 0.00 H new ATOM 0 HA HIS A 61 -10.530 2.919 -10.722 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -12.441 0.738 -11.020 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -13.046 1.937 -9.895 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.968 4.680 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.478 3.108 -15.000 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.575 5.212 -13.571 1.00 0.00 H new ATOM 969 N THR A 62 -9.960 1.715 -8.022 1.00 0.00 N ATOM 970 CA THR A 62 -9.849 1.876 -6.576 1.00 0.00 C ATOM 971 C THR A 62 -8.390 1.810 -6.137 1.00 0.00 C ATOM 972 O THR A 62 -7.787 0.737 -6.119 1.00 0.00 O ATOM 973 CB THR A 62 -10.658 0.793 -5.861 1.00 0.00 C ATOM 974 OG1 THR A 62 -10.499 -0.458 -6.505 1.00 0.00 O ATOM 975 CG2 THR A 62 -12.140 1.093 -5.800 1.00 0.00 C ATOM 0 H THR A 62 -9.234 1.131 -8.437 1.00 0.00 H new ATOM 0 HA THR A 62 -10.248 2.854 -6.309 1.00 0.00 H new ATOM 0 HB THR A 62 -10.268 0.767 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.905 -0.421 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.654 0.285 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.300 2.029 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.535 1.182 -6.812 1.00 0.00 H new ATOM 983 N GLY A 63 -7.829 2.964 -5.787 1.00 0.00 N ATOM 984 CA GLY A 63 -6.441 3.023 -5.357 1.00 0.00 C ATOM 985 C GLY A 63 -6.129 2.055 -4.231 1.00 0.00 C ATOM 986 O GLY A 63 -7.035 1.479 -3.629 1.00 0.00 O ATOM 0 H GLY A 63 -8.312 3.862 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.793 2.805 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.210 4.037 -5.032 1.00 0.00 H new ATOM 990 N SER A 64 -4.842 1.883 -3.943 1.00 0.00 N ATOM 991 CA SER A 64 -4.406 0.982 -2.879 1.00 0.00 C ATOM 992 C SER A 64 -3.782 1.767 -1.732 1.00 0.00 C ATOM 993 O SER A 64 -3.388 2.919 -1.906 1.00 0.00 O ATOM 994 CB SER A 64 -3.399 -0.033 -3.423 1.00 0.00 C ATOM 995 OG SER A 64 -2.128 0.565 -3.618 1.00 0.00 O ATOM 0 H SER A 64 -4.082 2.356 -4.432 1.00 0.00 H new ATOM 0 HA SER A 64 -5.280 0.450 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.309 -0.869 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.762 -0.440 -4.367 1.00 0.00 H new ATOM 0 HG SER A 64 -1.542 0.342 -2.865 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.678 1.146 -0.561 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.090 1.821 0.587 1.00 0.00 C ATOM 1003 C TRP A 65 -1.703 1.282 0.867 1.00 0.00 C ATOM 1004 O TRP A 65 -1.488 0.071 0.892 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.973 1.675 1.831 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.122 2.634 1.853 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.051 3.995 1.927 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.515 2.307 1.799 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.316 4.534 1.920 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.231 3.517 1.841 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.226 1.108 1.718 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.621 3.562 1.802 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.606 1.151 1.680 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.291 2.371 1.723 1.00 0.00 C ATOM 0 H TRP A 65 -3.989 0.191 -0.385 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.016 2.881 0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.357 0.656 1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.363 1.828 2.722 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.135 4.565 1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.537 5.529 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.705 0.162 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.152 4.502 1.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.165 0.229 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.371 2.373 1.693 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.765 2.193 1.064 1.00 0.00 N ATOM 1026 CA ILE A 66 0.610 1.821 1.329 1.00 0.00 C ATOM 1027 C ILE A 66 1.037 2.233 2.725 1.00 0.00 C ATOM 1028 O ILE A 66 0.342 2.991 3.400 1.00 0.00 O ATOM 1029 CB ILE A 66 1.567 2.433 0.292 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.871 3.892 0.629 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.960 2.319 -1.097 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.474 4.668 -0.526 1.00 0.00 C ATOM 0 H ILE A 66 -0.934 3.199 1.045 1.00 0.00 H new ATOM 0 HA ILE A 66 0.663 0.735 1.255 1.00 0.00 H new ATOM 0 HB ILE A 66 2.507 1.882 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.950 4.383 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.557 3.926 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.641 2.754 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.793 1.269 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.010 2.853 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.663 5.695 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.412 4.201 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.781 4.666 -1.367 1.00 0.00 H new ATOM 1044 N GLY A 67 2.180 1.715 3.145 1.00 0.00 N ATOM 1045 CA GLY A 67 2.711 2.018 4.457 1.00 0.00 C ATOM 1046 C GLY A 67 3.252 3.426 4.547 1.00 0.00 C ATOM 1047 O GLY A 67 4.413 3.627 4.894 1.00 0.00 O ATOM 0 H GLY A 67 2.757 1.081 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.928 1.884 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.505 1.310 4.697 1.00 0.00 H new ATOM 1051 N LEU A 68 2.416 4.398 4.213 1.00 0.00 N ATOM 1052 CA LEU A 68 2.831 5.790 4.241 1.00 0.00 C ATOM 1053 C LEU A 68 1.917 6.669 5.080 1.00 0.00 C ATOM 1054 O LEU A 68 0.701 6.702 4.890 1.00 0.00 O ATOM 1055 CB LEU A 68 2.904 6.340 2.821 1.00 0.00 C ATOM 1056 CG LEU A 68 4.210 6.052 2.087 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.430 7.066 0.987 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.378 6.072 3.050 1.00 0.00 C ATOM 0 H LEU A 68 1.450 4.248 3.921 1.00 0.00 H new ATOM 0 HA LEU A 68 3.815 5.813 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.080 5.923 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.755 7.419 2.857 1.00 0.00 H new ATOM 0 HG LEU A 68 4.141 5.059 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.366 6.847 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.605 7.017 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.478 8.066 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.300 5.864 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.446 7.053 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.230 5.312 3.818 1.00 0.00 H new ATOM 1070 N ARG A 69 2.542 7.408 5.984 1.00 0.00 N ATOM 1071 CA ARG A 69 1.845 8.342 6.854 1.00 0.00 C ATOM 1072 C ARG A 69 2.657 9.631 6.967 1.00 0.00 C ATOM 1073 O ARG A 69 3.807 9.605 7.400 1.00 0.00 O ATOM 1074 CB ARG A 69 1.620 7.719 8.237 1.00 0.00 C ATOM 1075 CG ARG A 69 1.536 8.734 9.368 1.00 0.00 C ATOM 1076 CD ARG A 69 1.780 8.083 10.719 1.00 0.00 C ATOM 1077 NE ARG A 69 1.235 8.877 11.816 1.00 0.00 N ATOM 1078 CZ ARG A 69 0.978 8.387 13.025 1.00 0.00 C ATOM 1079 NH1 ARG A 69 1.218 7.109 13.292 1.00 0.00 N ATOM 1080 NH2 ARG A 69 0.482 9.174 13.970 1.00 0.00 N ATOM 0 H ARG A 69 3.550 7.376 6.135 1.00 0.00 H new ATOM 0 HA ARG A 69 0.869 8.573 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.699 7.137 8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.432 7.023 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.270 9.523 9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.554 9.206 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.328 7.091 10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.851 7.947 10.867 1.00 0.00 H new ATOM 0 HE ARG A 69 1.040 9.864 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.601 6.500 12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.020 6.736 14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.297 10.157 13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.285 8.796 14.897 1.00 0.00 H new ATOM 1094 N ASN A 70 2.064 10.754 6.576 1.00 0.00 N ATOM 1095 CA ASN A 70 2.760 12.035 6.635 1.00 0.00 C ATOM 1096 C ASN A 70 2.539 12.715 7.981 1.00 0.00 C ATOM 1097 O ASN A 70 1.547 12.459 8.663 1.00 0.00 O ATOM 1098 CB ASN A 70 2.303 12.943 5.487 1.00 0.00 C ATOM 1099 CG ASN A 70 2.320 14.415 5.858 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.142 15.027 5.910 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 3.379 14.997 6.090 1.00 0.00 N flip ATOM 0 H ASN A 70 1.110 10.804 6.217 1.00 0.00 H new ATOM 0 HA ASN A 70 3.828 11.849 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.950 12.783 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.294 12.661 5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.262 14.489 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.374 15.988 6.333 1.00 0.00 H new ATOM 1108 N LEU A 71 3.473 13.582 8.359 1.00 0.00 N ATOM 1109 CA LEU A 71 3.383 14.298 9.626 1.00 0.00 C ATOM 1110 C LEU A 71 2.327 15.395 9.554 1.00 0.00 C ATOM 1111 O LEU A 71 2.648 16.565 9.347 1.00 0.00 O ATOM 1112 CB LEU A 71 4.741 14.900 9.995 1.00 0.00 C ATOM 1113 CG LEU A 71 5.842 13.879 10.286 1.00 0.00 C ATOM 1114 CD1 LEU A 71 7.066 14.156 9.429 1.00 0.00 C ATOM 1115 CD2 LEU A 71 6.206 13.898 11.763 1.00 0.00 C ATOM 0 H LEU A 71 4.300 13.805 7.806 1.00 0.00 H new ATOM 0 HA LEU A 71 3.090 13.587 10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.070 15.544 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.614 15.535 10.872 1.00 0.00 H new ATOM 0 HG LEU A 71 5.468 12.886 10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.839 13.420 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.794 14.092 8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.444 15.155 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.991 13.166 11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.562 14.891 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.327 13.651 12.358 1.00 0.00 H new ATOM 1127 N ASP A 72 1.065 15.004 9.722 1.00 0.00 N ATOM 1128 CA ASP A 72 -0.050 15.945 9.674 1.00 0.00 C ATOM 1129 C ASP A 72 -0.148 16.603 8.301 1.00 0.00 C ATOM 1130 O ASP A 72 -0.919 16.165 7.447 1.00 0.00 O ATOM 1131 CB ASP A 72 0.101 17.012 10.761 1.00 0.00 C ATOM 1132 CG ASP A 72 0.149 16.416 12.155 1.00 0.00 C ATOM 1133 OD1 ASP A 72 1.249 16.011 12.589 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -0.911 16.354 12.810 1.00 0.00 O ATOM 0 H ASP A 72 0.789 14.037 9.893 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.969 15.388 9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.012 17.583 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.732 17.712 10.697 1.00 0.00 H new ATOM 1139 N LEU A 73 0.640 17.653 8.093 1.00 0.00 N ATOM 1140 CA LEU A 73 0.644 18.368 6.823 1.00 0.00 C ATOM 1141 C LEU A 73 1.960 19.116 6.628 1.00 0.00 C ATOM 1142 O LEU A 73 1.988 20.206 6.056 1.00 0.00 O ATOM 1143 CB LEU A 73 -0.528 19.349 6.761 1.00 0.00 C ATOM 1144 CG LEU A 73 -0.784 20.133 8.049 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -1.126 21.581 7.733 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -1.900 19.484 8.855 1.00 0.00 C ATOM 0 H LEU A 73 1.285 18.028 8.789 1.00 0.00 H new ATOM 0 HA LEU A 73 0.538 17.637 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.347 20.057 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.432 18.796 6.504 1.00 0.00 H new ATOM 0 HG LEU A 73 0.126 20.118 8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.305 22.124 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.296 22.042 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.022 21.616 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.069 20.055 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.815 19.468 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.617 18.463 9.112 1.00 0.00 H new ATOM 1158 N LYS A 74 3.049 18.522 7.109 1.00 0.00 N ATOM 1159 CA LYS A 74 4.369 19.132 6.992 1.00 0.00 C ATOM 1160 C LYS A 74 4.911 18.994 5.573 1.00 0.00 C ATOM 1161 O LYS A 74 5.828 19.713 5.177 1.00 0.00 O ATOM 1162 CB LYS A 74 5.337 18.489 7.985 1.00 0.00 C ATOM 1163 CG LYS A 74 5.217 19.046 9.393 1.00 0.00 C ATOM 1164 CD LYS A 74 6.288 20.088 9.671 1.00 0.00 C ATOM 1165 CE LYS A 74 5.711 21.304 10.377 1.00 0.00 C ATOM 1166 NZ LYS A 74 6.251 21.453 11.758 1.00 0.00 N ATOM 0 H LYS A 74 3.043 17.619 7.583 1.00 0.00 H new ATOM 0 HA LYS A 74 4.273 20.193 7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.158 17.414 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.358 18.633 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.231 19.491 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.301 18.234 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.074 19.649 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.750 20.396 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.938 22.200 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.625 21.218 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.833 22.294 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.013 20.609 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.285 21.561 11.717 1.00 0.00 H new ATOM 1180 N GLY A 75 4.335 18.070 4.812 1.00 0.00 N ATOM 1181 CA GLY A 75 4.772 17.861 3.444 1.00 0.00 C ATOM 1182 C GLY A 75 5.784 16.738 3.315 1.00 0.00 C ATOM 1183 O GLY A 75 6.375 16.551 2.252 1.00 0.00 O ATOM 0 H GLY A 75 3.574 17.463 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.906 17.637 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.209 18.784 3.062 1.00 0.00 H new ATOM 1187 N GLU A 76 5.983 15.986 4.393 1.00 0.00 N ATOM 1188 CA GLU A 76 6.927 14.877 4.382 1.00 0.00 C ATOM 1189 C GLU A 76 6.254 13.603 4.874 1.00 0.00 C ATOM 1190 O GLU A 76 5.685 13.576 5.967 1.00 0.00 O ATOM 1191 CB GLU A 76 8.141 15.196 5.257 1.00 0.00 C ATOM 1192 CG GLU A 76 8.450 16.682 5.354 1.00 0.00 C ATOM 1193 CD GLU A 76 9.848 17.019 4.874 1.00 0.00 C ATOM 1194 OE1 GLU A 76 10.796 16.910 5.681 1.00 0.00 O ATOM 1195 OE2 GLU A 76 9.996 17.392 3.691 1.00 0.00 O ATOM 0 H GLU A 76 5.504 16.125 5.283 1.00 0.00 H new ATOM 0 HA GLU A 76 7.264 14.726 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.969 14.803 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.013 14.678 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.723 17.240 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.337 17.006 6.389 1.00 0.00 H new ATOM 1202 N PHE A 77 6.311 12.548 4.066 1.00 0.00 N ATOM 1203 CA PHE A 77 5.693 11.290 4.438 1.00 0.00 C ATOM 1204 C PHE A 77 6.688 10.359 5.117 1.00 0.00 C ATOM 1205 O PHE A 77 7.888 10.393 4.846 1.00 0.00 O ATOM 1206 CB PHE A 77 5.024 10.629 3.214 1.00 0.00 C ATOM 1207 CG PHE A 77 5.920 9.862 2.269 1.00 0.00 C ATOM 1208 CD1 PHE A 77 6.722 8.823 2.710 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.923 10.169 0.919 1.00 0.00 C ATOM 1210 CE1 PHE A 77 7.513 8.113 1.827 1.00 0.00 C ATOM 1211 CE2 PHE A 77 6.708 9.458 0.031 1.00 0.00 C ATOM 1212 CZ PHE A 77 7.504 8.430 0.486 1.00 0.00 C ATOM 0 H PHE A 77 6.776 12.543 3.158 1.00 0.00 H new ATOM 0 HA PHE A 77 4.911 11.498 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.253 9.949 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.519 11.408 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.729 8.564 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.303 10.975 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.138 7.310 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.697 9.708 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.119 7.874 -0.206 1.00 0.00 H new ATOM 1222 N ILE A 78 6.166 9.529 6.003 1.00 0.00 N ATOM 1223 CA ILE A 78 6.971 8.569 6.738 1.00 0.00 C ATOM 1224 C ILE A 78 6.322 7.197 6.659 1.00 0.00 C ATOM 1225 O ILE A 78 5.104 7.079 6.727 1.00 0.00 O ATOM 1226 CB ILE A 78 7.144 8.983 8.215 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.427 9.814 8.370 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.150 7.757 9.125 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.416 9.272 9.384 1.00 0.00 C ATOM 0 H ILE A 78 5.173 9.501 6.233 1.00 0.00 H new ATOM 0 HA ILE A 78 7.961 8.539 6.284 1.00 0.00 H new ATOM 0 HB ILE A 78 6.298 9.600 8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.921 9.879 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.153 10.829 8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.273 8.073 10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.207 7.221 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.974 7.101 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.289 9.923 9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.946 9.234 10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.725 8.269 9.091 1.00 0.00 H new ATOM 1241 N TRP A 79 7.129 6.164 6.505 1.00 0.00 N ATOM 1242 CA TRP A 79 6.598 4.816 6.401 1.00 0.00 C ATOM 1243 C TRP A 79 6.131 4.323 7.763 1.00 0.00 C ATOM 1244 O TRP A 79 6.696 4.685 8.792 1.00 0.00 O ATOM 1245 CB TRP A 79 7.654 3.848 5.845 1.00 0.00 C ATOM 1246 CG TRP A 79 8.312 4.294 4.566 1.00 0.00 C ATOM 1247 CD1 TRP A 79 8.234 5.522 3.975 1.00 0.00 C ATOM 1248 CD2 TRP A 79 9.158 3.500 3.725 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.979 5.543 2.821 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.555 4.313 2.646 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.619 2.182 3.781 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 10.391 3.848 1.632 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.448 1.723 2.774 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.827 2.555 1.712 1.00 0.00 C ATOM 0 H TRP A 79 8.145 6.230 6.449 1.00 0.00 H new ATOM 0 HA TRP A 79 5.752 4.845 5.715 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.425 3.701 6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 79 7.184 2.879 5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.668 6.357 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 79 9.086 6.343 2.197 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.333 1.534 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.684 4.487 0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.810 0.706 2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.477 2.167 0.941 1.00 0.00 H new ATOM 1265 N VAL A 80 5.096 3.489 7.758 1.00 0.00 N ATOM 1266 CA VAL A 80 4.558 2.931 8.993 1.00 0.00 C ATOM 1267 C VAL A 80 5.641 2.133 9.708 1.00 0.00 C ATOM 1268 O VAL A 80 5.583 1.916 10.919 1.00 0.00 O ATOM 1269 CB VAL A 80 3.337 2.026 8.710 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.523 1.276 7.407 1.00 0.00 C ATOM 1271 CG2 VAL A 80 3.084 1.059 9.859 1.00 0.00 C ATOM 0 H VAL A 80 4.613 3.185 6.912 1.00 0.00 H new ATOM 0 HA VAL A 80 4.230 3.754 9.628 1.00 0.00 H new ATOM 0 HB VAL A 80 2.460 2.666 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.654 0.644 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.632 1.989 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.417 0.655 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.219 0.438 9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.959 0.425 10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.893 1.622 10.773 1.00 0.00 H new ATOM 1281 N ASP A 81 6.639 1.716 8.939 1.00 0.00 N ATOM 1282 CA ASP A 81 7.757 0.950 9.476 1.00 0.00 C ATOM 1283 C ASP A 81 8.722 1.864 10.224 1.00 0.00 C ATOM 1284 O ASP A 81 9.629 1.398 10.914 1.00 0.00 O ATOM 1285 CB ASP A 81 8.494 0.228 8.347 1.00 0.00 C ATOM 1286 CG ASP A 81 9.337 -0.925 8.852 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.785 -1.805 9.547 1.00 0.00 O ATOM 1288 OD2 ASP A 81 10.550 -0.949 8.555 1.00 0.00 O ATOM 0 H ASP A 81 6.697 1.896 7.937 1.00 0.00 H new ATOM 0 HA ASP A 81 7.363 0.211 10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.769 -0.145 7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.132 0.938 7.821 1.00 0.00 H new ATOM 1293 N GLY A 82 8.508 3.169 10.088 1.00 0.00 N ATOM 1294 CA GLY A 82 9.350 4.138 10.759 1.00 0.00 C ATOM 1295 C GLY A 82 10.503 4.630 9.903 1.00 0.00 C ATOM 1296 O GLY A 82 11.615 4.807 10.400 1.00 0.00 O ATOM 0 H GLY A 82 7.762 3.573 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.741 4.991 11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.748 3.693 11.671 1.00 0.00 H new ATOM 1300 N SER A 83 10.245 4.858 8.616 1.00 0.00 N ATOM 1301 CA SER A 83 11.287 5.338 7.708 1.00 0.00 C ATOM 1302 C SER A 83 10.778 6.480 6.830 1.00 0.00 C ATOM 1303 O SER A 83 9.819 6.316 6.091 1.00 0.00 O ATOM 1304 CB SER A 83 11.793 4.192 6.830 1.00 0.00 C ATOM 1305 OG SER A 83 11.342 2.939 7.315 1.00 0.00 O ATOM 0 H SER A 83 9.333 4.720 8.181 1.00 0.00 H new ATOM 0 HA SER A 83 12.109 5.717 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.448 4.335 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.883 4.204 6.803 1.00 0.00 H new ATOM 0 HG SER A 83 11.678 2.224 6.735 1.00 0.00 H new ATOM 1311 N HIS A 84 11.430 7.637 6.913 1.00 0.00 N ATOM 1312 CA HIS A 84 11.033 8.797 6.120 1.00 0.00 C ATOM 1313 C HIS A 84 11.188 8.522 4.625 1.00 0.00 C ATOM 1314 O HIS A 84 11.884 7.588 4.229 1.00 0.00 O ATOM 1315 CB HIS A 84 11.871 10.014 6.515 1.00 0.00 C ATOM 1316 CG HIS A 84 13.326 9.709 6.698 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.201 9.553 5.645 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.059 9.530 7.823 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.408 9.292 6.112 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.349 9.273 7.430 1.00 0.00 N ATOM 0 H HIS A 84 12.234 7.796 7.520 1.00 0.00 H new ATOM 0 HA HIS A 84 9.982 9.001 6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.763 10.782 5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.477 10.430 7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.696 9.580 8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.293 9.123 5.517 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.135 9.096 8.056 1.00 0.00 H new ATOM 1329 N VAL A 85 10.522 9.341 3.808 1.00 0.00 N ATOM 1330 CA VAL A 85 10.565 9.202 2.353 1.00 0.00 C ATOM 1331 C VAL A 85 11.933 8.745 1.853 1.00 0.00 C ATOM 1332 O VAL A 85 12.962 9.331 2.191 1.00 0.00 O ATOM 1333 CB VAL A 85 10.201 10.526 1.651 1.00 0.00 C ATOM 1334 CG1 VAL A 85 10.067 10.314 0.155 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.920 11.104 2.222 1.00 0.00 C ATOM 0 H VAL A 85 9.942 10.114 4.135 1.00 0.00 H new ATOM 0 HA VAL A 85 9.828 8.438 2.105 1.00 0.00 H new ATOM 0 HB VAL A 85 11.006 11.239 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.810 11.258 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.012 9.948 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.283 9.583 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.683 12.038 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.105 10.395 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.050 11.296 3.287 1.00 0.00 H new ATOM 1345 N ASP A 86 11.928 7.695 1.034 1.00 0.00 N ATOM 1346 CA ASP A 86 13.157 7.151 0.465 1.00 0.00 C ATOM 1347 C ASP A 86 13.164 7.336 -1.050 1.00 0.00 C ATOM 1348 O ASP A 86 13.774 8.272 -1.567 1.00 0.00 O ATOM 1349 CB ASP A 86 13.297 5.668 0.812 1.00 0.00 C ATOM 1350 CG ASP A 86 13.694 5.447 2.259 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.906 5.496 2.556 1.00 0.00 O ATOM 1352 OD2 ASP A 86 12.792 5.227 3.095 1.00 0.00 O ATOM 0 H ASP A 86 11.081 7.203 0.749 1.00 0.00 H new ATOM 0 HA ASP A 86 14.003 7.690 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.352 5.161 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.043 5.214 0.160 1.00 0.00 H new ATOM 1357 N TYR A 87 12.468 6.447 -1.753 1.00 0.00 N ATOM 1358 CA TYR A 87 12.378 6.524 -3.208 1.00 0.00 C ATOM 1359 C TYR A 87 11.148 7.325 -3.612 1.00 0.00 C ATOM 1360 O TYR A 87 11.185 8.106 -4.563 1.00 0.00 O ATOM 1361 CB TYR A 87 12.316 5.122 -3.825 1.00 0.00 C ATOM 1362 CG TYR A 87 13.389 4.183 -3.317 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.248 3.529 -2.099 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.540 3.952 -4.058 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.227 2.670 -1.635 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.523 3.094 -3.600 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.361 2.457 -2.389 1.00 0.00 C ATOM 1368 OH TYR A 87 16.337 1.602 -1.929 1.00 0.00 O ATOM 0 H TYR A 87 11.959 5.666 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 87 13.271 7.025 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.338 4.687 -3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.404 5.208 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.361 3.694 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.670 4.450 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.104 2.168 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.413 2.924 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 87 17.069 1.562 -2.579 1.00 0.00 H new ATOM 1378 N SER A 88 10.063 7.127 -2.865 1.00 0.00 N ATOM 1379 CA SER A 88 8.801 7.824 -3.110 1.00 0.00 C ATOM 1380 C SER A 88 8.366 7.723 -4.563 1.00 0.00 C ATOM 1381 O SER A 88 9.025 7.097 -5.393 1.00 0.00 O ATOM 1382 CB SER A 88 8.912 9.298 -2.720 1.00 0.00 C ATOM 1383 OG SER A 88 10.261 9.731 -2.709 1.00 0.00 O ATOM 0 H SER A 88 10.033 6.482 -2.076 1.00 0.00 H new ATOM 0 HA SER A 88 8.048 7.336 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.339 9.905 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.472 9.449 -1.734 1.00 0.00 H new ATOM 0 HG SER A 88 10.291 10.706 -2.616 1.00 0.00 H new ATOM 1389 N ASN A 89 7.241 8.358 -4.852 1.00 0.00 N ATOM 1390 CA ASN A 89 6.691 8.370 -6.195 1.00 0.00 C ATOM 1391 C ASN A 89 6.072 9.732 -6.512 1.00 0.00 C ATOM 1392 O ASN A 89 6.111 10.167 -7.660 1.00 0.00 O ATOM 1393 CB ASN A 89 5.681 7.232 -6.363 1.00 0.00 C ATOM 1394 CG ASN A 89 6.344 5.975 -6.880 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.292 6.035 -7.663 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.849 4.828 -6.445 1.00 0.00 N ATOM 0 H ASN A 89 6.689 8.875 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 89 7.497 8.207 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.202 7.025 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.895 7.540 -7.053 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.254 3.946 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.062 4.826 -5.796 1.00 0.00 H new ATOM 1403 N TRP A 90 5.534 10.406 -5.478 1.00 0.00 N ATOM 1404 CA TRP A 90 4.933 11.743 -5.621 1.00 0.00 C ATOM 1405 C TRP A 90 4.578 12.075 -7.072 1.00 0.00 C ATOM 1406 O TRP A 90 5.446 12.475 -7.851 1.00 0.00 O ATOM 1407 CB TRP A 90 5.898 12.809 -5.093 1.00 0.00 C ATOM 1408 CG TRP A 90 6.076 12.810 -3.602 1.00 0.00 C ATOM 1409 CD1 TRP A 90 6.253 11.727 -2.788 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.110 13.960 -2.750 1.00 0.00 C ATOM 1411 NE1 TRP A 90 6.391 12.137 -1.483 1.00 0.00 N ATOM 1412 CE2 TRP A 90 6.307 13.501 -1.435 1.00 0.00 C ATOM 1413 CE3 TRP A 90 5.992 15.336 -2.971 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 6.391 14.364 -0.347 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 6.075 16.193 -1.890 1.00 0.00 C ATOM 1416 CH2 TRP A 90 6.273 15.705 -0.593 1.00 0.00 C ATOM 0 H TRP A 90 5.504 10.041 -4.526 1.00 0.00 H new ATOM 0 HA TRP A 90 4.010 11.737 -5.041 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.871 12.663 -5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.539 13.790 -5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.280 10.700 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.533 11.523 -0.681 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.839 15.722 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.544 13.990 0.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.986 17.258 -2.049 1.00 0.00 H new ATOM 0 HH2 TRP A 90 6.334 16.401 0.230 1.00 0.00 H new ATOM 1427 N ALA A 91 3.304 11.923 -7.425 1.00 0.00 N ATOM 1428 CA ALA A 91 2.841 12.218 -8.782 1.00 0.00 C ATOM 1429 C ALA A 91 3.447 13.517 -9.310 1.00 0.00 C ATOM 1430 O ALA A 91 3.121 14.603 -8.830 1.00 0.00 O ATOM 1431 CB ALA A 91 1.322 12.300 -8.818 1.00 0.00 C ATOM 0 H ALA A 91 2.573 11.598 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 91 3.171 11.404 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.993 12.520 -9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.899 11.348 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.984 13.091 -8.148 1.00 0.00 H new ATOM 1437 N PRO A 92 4.344 13.421 -10.308 1.00 0.00 N ATOM 1438 CA PRO A 92 4.999 14.594 -10.900 1.00 0.00 C ATOM 1439 C PRO A 92 4.002 15.545 -11.550 1.00 0.00 C ATOM 1440 O PRO A 92 3.179 15.134 -12.370 1.00 0.00 O ATOM 1441 CB PRO A 92 5.934 13.995 -11.960 1.00 0.00 C ATOM 1442 CG PRO A 92 6.089 12.562 -11.580 1.00 0.00 C ATOM 1443 CD PRO A 92 4.792 12.168 -10.936 1.00 0.00 C ATOM 0 HA PRO A 92 5.517 15.189 -10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.510 14.094 -12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.897 14.506 -11.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.294 11.945 -12.455 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.924 12.428 -10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.072 11.803 -11.668 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.930 11.375 -10.201 1.00 0.00 H new ATOM 1451 N GLY A 93 4.080 16.820 -11.181 1.00 0.00 N ATOM 1452 CA GLY A 93 3.180 17.812 -11.740 1.00 0.00 C ATOM 1453 C GLY A 93 1.941 18.015 -10.890 1.00 0.00 C ATOM 1454 O GLY A 93 0.979 18.647 -11.328 1.00 0.00 O ATOM 0 H GLY A 93 4.751 17.184 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.707 18.761 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.883 17.505 -12.743 1.00 0.00 H new ATOM 1458 N GLU A 94 1.963 17.478 -9.676 1.00 0.00 N ATOM 1459 CA GLU A 94 0.831 17.603 -8.763 1.00 0.00 C ATOM 1460 C GLU A 94 1.206 18.443 -7.542 1.00 0.00 C ATOM 1461 O GLU A 94 1.650 17.909 -6.526 1.00 0.00 O ATOM 1462 CB GLU A 94 0.353 16.220 -8.319 1.00 0.00 C ATOM 1463 CG GLU A 94 -1.074 16.211 -7.793 1.00 0.00 C ATOM 1464 CD GLU A 94 -2.084 15.824 -8.854 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -1.909 14.757 -9.480 1.00 0.00 O ATOM 1466 OE2 GLU A 94 -3.051 16.588 -9.060 1.00 0.00 O ATOM 0 H GLU A 94 2.752 16.952 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 94 0.022 18.106 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.426 15.532 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.020 15.846 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.145 15.514 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.321 17.199 -7.405 1.00 0.00 H new ATOM 1473 N PRO A 95 1.029 19.773 -7.627 1.00 0.00 N ATOM 1474 CA PRO A 95 1.351 20.684 -6.524 1.00 0.00 C ATOM 1475 C PRO A 95 0.351 20.580 -5.377 1.00 0.00 C ATOM 1476 O PRO A 95 -0.833 20.873 -5.544 1.00 0.00 O ATOM 1477 CB PRO A 95 1.277 22.066 -7.174 1.00 0.00 C ATOM 1478 CG PRO A 95 0.317 21.901 -8.301 1.00 0.00 C ATOM 1479 CD PRO A 95 0.504 20.494 -8.804 1.00 0.00 C ATOM 0 HA PRO A 95 2.320 20.459 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.931 22.819 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 95 2.255 22.389 -7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.708 22.063 -7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.514 22.627 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.435 20.064 -9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.201 20.457 -9.641 1.00 0.00 H new ATOM 1487 N THR A 96 0.837 20.160 -4.212 1.00 0.00 N ATOM 1488 CA THR A 96 -0.013 20.017 -3.037 1.00 0.00 C ATOM 1489 C THR A 96 -0.364 21.380 -2.448 1.00 0.00 C ATOM 1490 O THR A 96 0.511 22.221 -2.242 1.00 0.00 O ATOM 1491 CB THR A 96 0.682 19.157 -1.980 1.00 0.00 C ATOM 1492 OG1 THR A 96 2.005 19.610 -1.756 1.00 0.00 O ATOM 1493 CG2 THR A 96 0.756 17.692 -2.355 1.00 0.00 C ATOM 0 H THR A 96 1.815 19.913 -4.058 1.00 0.00 H new ATOM 0 HA THR A 96 -0.936 19.526 -3.346 1.00 0.00 H new ATOM 0 HB THR A 96 0.073 19.255 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.029 20.588 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.260 17.139 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.252 17.299 -2.487 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.313 17.582 -3.285 1.00 0.00 H new ATOM 1501 N SER A 97 -1.648 21.591 -2.181 1.00 0.00 N ATOM 1502 CA SER A 97 -2.115 22.852 -1.615 1.00 0.00 C ATOM 1503 C SER A 97 -2.001 22.841 -0.094 1.00 0.00 C ATOM 1504 O SER A 97 -1.547 21.861 0.496 1.00 0.00 O ATOM 1505 CB SER A 97 -3.564 23.114 -2.028 1.00 0.00 C ATOM 1506 OG SER A 97 -3.778 24.489 -2.296 1.00 0.00 O ATOM 0 H SER A 97 -2.385 20.905 -2.347 1.00 0.00 H new ATOM 0 HA SER A 97 -1.484 23.652 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.805 22.526 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.236 22.786 -1.235 1.00 0.00 H new ATOM 0 HG SER A 97 -4.711 24.630 -2.559 1.00 0.00 H new ATOM 1512 N ARG A 98 -2.414 23.938 0.534 1.00 0.00 N ATOM 1513 CA ARG A 98 -2.357 24.055 1.986 1.00 0.00 C ATOM 1514 C ARG A 98 -3.752 23.958 2.595 1.00 0.00 C ATOM 1515 O ARG A 98 -4.639 24.747 2.270 1.00 0.00 O ATOM 1516 CB ARG A 98 -1.705 25.380 2.386 1.00 0.00 C ATOM 1517 CG ARG A 98 -0.265 25.513 1.920 1.00 0.00 C ATOM 1518 CD ARG A 98 0.696 24.819 2.872 1.00 0.00 C ATOM 1519 NE ARG A 98 1.937 25.570 3.042 1.00 0.00 N ATOM 1520 CZ ARG A 98 3.127 24.999 3.211 1.00 0.00 C ATOM 1521 NH1 ARG A 98 3.236 23.677 3.230 1.00 0.00 N ATOM 1522 NH2 ARG A 98 4.209 25.751 3.359 1.00 0.00 N ATOM 0 H ARG A 98 -2.792 24.758 0.059 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.755 23.231 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.289 26.202 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.738 25.479 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.163 25.085 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.003 26.568 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.215 24.689 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.924 23.823 2.494 1.00 0.00 H new ATOM 0 HE ARG A 98 1.889 26.589 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.406 23.095 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.150 23.242 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.129 26.768 3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.121 25.313 3.489 1.00 0.00 H new ATOM 1536 N SER A 99 -3.938 22.983 3.481 1.00 0.00 N ATOM 1537 CA SER A 99 -5.225 22.781 4.137 1.00 0.00 C ATOM 1538 C SER A 99 -5.059 21.972 5.421 1.00 0.00 C ATOM 1539 O SER A 99 -3.941 21.752 5.887 1.00 0.00 O ATOM 1540 CB SER A 99 -6.195 22.067 3.193 1.00 0.00 C ATOM 1541 OG SER A 99 -7.467 22.692 3.201 1.00 0.00 O ATOM 0 H SER A 99 -3.214 22.321 3.760 1.00 0.00 H new ATOM 0 HA SER A 99 -5.632 23.759 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.791 22.070 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.297 21.024 3.492 1.00 0.00 H new ATOM 0 HG SER A 99 -8.068 22.218 2.589 1.00 0.00 H new ATOM 1547 N GLN A 100 -6.179 21.535 5.988 1.00 0.00 N ATOM 1548 CA GLN A 100 -6.158 20.751 7.218 1.00 0.00 C ATOM 1549 C GLN A 100 -6.936 19.450 7.047 1.00 0.00 C ATOM 1550 O GLN A 100 -8.087 19.457 6.612 1.00 0.00 O ATOM 1551 CB GLN A 100 -6.748 21.563 8.374 1.00 0.00 C ATOM 1552 CG GLN A 100 -5.775 22.564 8.972 1.00 0.00 C ATOM 1553 CD GLN A 100 -6.467 23.619 9.812 1.00 0.00 C ATOM 1554 OE1 GLN A 100 -6.984 23.330 10.891 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -6.482 24.852 9.320 1.00 0.00 N ATOM 0 H GLN A 100 -7.112 21.710 5.616 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.121 20.506 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.631 22.094 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.079 20.879 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.047 22.035 9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.220 23.050 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.041 25.048 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.934 25.603 9.841 1.00 0.00 H new ATOM 1564 N GLY A 101 -6.298 18.335 7.391 1.00 0.00 N ATOM 1565 CA GLY A 101 -6.945 17.042 7.268 1.00 0.00 C ATOM 1566 C GLY A 101 -6.066 15.903 7.747 1.00 0.00 C ATOM 1567 O GLY A 101 -5.329 16.046 8.722 1.00 0.00 O ATOM 0 H GLY A 101 -5.345 18.304 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.872 17.047 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.217 16.873 6.226 1.00 0.00 H new ATOM 1571 N GLU A 102 -6.148 14.768 7.060 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.357 13.596 7.418 1.00 0.00 C ATOM 1573 C GLU A 102 -3.956 13.679 6.815 1.00 0.00 C ATOM 1574 O GLU A 102 -3.446 14.769 6.556 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.058 12.322 6.946 1.00 0.00 C ATOM 1576 CG GLU A 102 -6.376 11.350 8.070 1.00 0.00 C ATOM 1577 CD GLU A 102 -7.784 11.520 8.607 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.717 10.930 8.023 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -7.954 12.243 9.611 1.00 0.00 O ATOM 0 H GLU A 102 -6.755 14.635 6.251 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.261 13.568 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.984 12.593 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.427 11.821 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.249 10.329 7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.662 11.492 8.881 1.00 0.00 H new ATOM 1586 N ASP A 103 -3.339 12.521 6.595 1.00 0.00 N ATOM 1587 CA ASP A 103 -1.997 12.463 6.025 1.00 0.00 C ATOM 1588 C ASP A 103 -1.655 11.042 5.588 1.00 0.00 C ATOM 1589 O ASP A 103 -1.259 10.209 6.405 1.00 0.00 O ATOM 1590 CB ASP A 103 -0.968 12.955 7.043 1.00 0.00 C ATOM 1591 CG ASP A 103 -1.365 12.631 8.470 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -1.062 11.510 8.930 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -1.981 13.497 9.126 1.00 0.00 O ATOM 0 H ASP A 103 -3.748 11.610 6.803 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.971 13.111 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.001 12.501 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.845 14.033 6.939 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.816 10.766 4.296 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.530 9.445 3.754 1.00 0.00 C ATOM 1600 C CYS A 104 -1.245 9.513 2.257 1.00 0.00 C ATOM 1601 O CYS A 104 -1.645 10.456 1.572 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.707 8.497 4.011 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.108 9.256 4.898 1.00 0.00 S ATOM 0 H CYS A 104 -2.144 11.442 3.606 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.642 9.064 4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.063 8.113 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.350 7.642 4.585 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.555 8.500 1.753 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.226 8.436 0.341 1.00 0.00 C ATOM 1610 C VAL A 105 -1.097 7.413 -0.371 1.00 0.00 C ATOM 1611 O VAL A 105 -1.317 6.307 0.125 1.00 0.00 O ATOM 1612 CB VAL A 105 1.258 8.101 0.117 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.504 7.689 -1.328 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.115 9.300 0.481 1.00 0.00 C ATOM 0 H VAL A 105 -0.213 7.712 2.303 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.419 9.424 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 105 1.530 7.262 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.560 7.456 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.905 6.809 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.223 8.506 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.166 9.058 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.838 10.148 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.957 9.555 1.529 1.00 0.00 H new ATOM 1624 N MET A 106 -1.598 7.803 -1.530 1.00 0.00 N ATOM 1625 CA MET A 106 -2.461 6.950 -2.330 1.00 0.00 C ATOM 1626 C MET A 106 -1.961 6.880 -3.764 1.00 0.00 C ATOM 1627 O MET A 106 -1.099 7.654 -4.164 1.00 0.00 O ATOM 1628 CB MET A 106 -3.889 7.493 -2.309 1.00 0.00 C ATOM 1629 CG MET A 106 -4.002 8.930 -2.794 1.00 0.00 C ATOM 1630 SD MET A 106 -5.345 9.830 -1.995 1.00 0.00 S ATOM 1631 CE MET A 106 -4.450 10.717 -0.723 1.00 0.00 C ATOM 0 H MET A 106 -1.419 8.718 -1.943 1.00 0.00 H new ATOM 0 HA MET A 106 -2.448 5.946 -1.905 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.519 6.858 -2.931 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.278 7.430 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.061 9.448 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.159 8.934 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.144 11.335 -0.153 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.966 10.005 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.694 11.352 -1.185 1.00 0.00 H new ATOM 1641 N MET A 107 -2.515 5.963 -4.544 1.00 0.00 N ATOM 1642 CA MET A 107 -2.115 5.833 -5.937 1.00 0.00 C ATOM 1643 C MET A 107 -3.315 6.032 -6.848 1.00 0.00 C ATOM 1644 O MET A 107 -4.430 5.616 -6.529 1.00 0.00 O ATOM 1645 CB MET A 107 -1.449 4.475 -6.220 1.00 0.00 C ATOM 1646 CG MET A 107 -2.354 3.250 -6.101 1.00 0.00 C ATOM 1647 SD MET A 107 -3.659 3.144 -7.354 1.00 0.00 S ATOM 1648 CE MET A 107 -2.827 3.734 -8.827 1.00 0.00 C ATOM 0 H MET A 107 -3.234 5.306 -4.241 1.00 0.00 H new ATOM 0 HA MET A 107 -1.376 6.608 -6.141 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.033 4.499 -7.227 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.612 4.352 -5.533 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.738 2.353 -6.162 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.817 3.252 -5.114 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.511 4.353 -9.408 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.957 4.325 -8.541 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.507 2.884 -9.429 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.070 6.684 -7.979 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.120 6.960 -8.959 1.00 0.00 C ATOM 1660 C ARG A 108 -3.604 7.862 -10.075 1.00 0.00 C ATOM 1661 O ARG A 108 -2.436 8.251 -10.085 1.00 0.00 O ATOM 1662 CB ARG A 108 -5.330 7.618 -8.289 1.00 0.00 C ATOM 1663 CG ARG A 108 -5.004 8.924 -7.583 1.00 0.00 C ATOM 1664 CD ARG A 108 -6.265 9.713 -7.266 1.00 0.00 C ATOM 1665 NE ARG A 108 -5.984 10.891 -6.450 1.00 0.00 N ATOM 1666 CZ ARG A 108 -6.191 12.138 -6.861 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -6.675 12.369 -8.074 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -5.914 13.157 -6.058 1.00 0.00 N ATOM 0 H ARG A 108 -2.149 7.034 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.425 6.006 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.095 7.804 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.757 6.922 -7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.462 8.715 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.346 9.524 -8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.742 10.022 -8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.973 9.070 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.608 10.749 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.890 11.589 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.833 13.327 -8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.542 12.984 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.073 14.114 -6.374 1.00 0.00 H new ATOM 1682 N GLY A 109 -4.488 8.196 -11.011 1.00 0.00 N ATOM 1683 CA GLY A 109 -4.112 9.054 -12.118 1.00 0.00 C ATOM 1684 C GLY A 109 -3.365 8.313 -13.209 1.00 0.00 C ATOM 1685 O GLY A 109 -3.886 7.364 -13.796 1.00 0.00 O ATOM 0 H GLY A 109 -5.460 7.886 -11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.009 9.507 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.489 9.867 -11.746 1.00 0.00 H new ATOM 1689 N SER A 110 -2.142 8.754 -13.482 1.00 0.00 N ATOM 1690 CA SER A 110 -1.313 8.138 -14.513 1.00 0.00 C ATOM 1691 C SER A 110 -0.914 6.719 -14.126 1.00 0.00 C ATOM 1692 O SER A 110 -0.721 5.861 -14.988 1.00 0.00 O ATOM 1693 CB SER A 110 -0.057 8.978 -14.744 1.00 0.00 C ATOM 1694 OG SER A 110 -0.386 10.263 -15.242 1.00 0.00 O ATOM 0 H SER A 110 -1.701 9.539 -13.002 1.00 0.00 H new ATOM 0 HA SER A 110 -1.898 8.092 -15.432 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.495 9.077 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.600 8.469 -15.449 1.00 0.00 H new ATOM 0 HG SER A 110 0.435 10.781 -15.379 1.00 0.00 H new ATOM 1700 N GLY A 111 -0.781 6.482 -12.826 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.394 5.171 -12.346 1.00 0.00 C ATOM 1702 C GLY A 111 0.728 5.252 -11.332 1.00 0.00 C ATOM 1703 O GLY A 111 1.563 4.350 -11.242 1.00 0.00 O ATOM 0 H GLY A 111 -0.935 7.177 -12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.256 4.680 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.079 4.554 -13.188 1.00 0.00 H new ATOM 1707 N ARG A 112 0.750 6.340 -10.570 1.00 0.00 N ATOM 1708 CA ARG A 112 1.779 6.543 -9.560 1.00 0.00 C ATOM 1709 C ARG A 112 1.159 6.838 -8.195 1.00 0.00 C ATOM 1710 O ARG A 112 0.069 6.364 -7.882 1.00 0.00 O ATOM 1711 CB ARG A 112 2.709 7.686 -9.976 1.00 0.00 C ATOM 1712 CG ARG A 112 1.975 8.970 -10.324 1.00 0.00 C ATOM 1713 CD ARG A 112 2.473 9.559 -11.633 1.00 0.00 C ATOM 1714 NE ARG A 112 2.358 8.609 -12.737 1.00 0.00 N ATOM 1715 CZ ARG A 112 3.352 8.325 -13.573 1.00 0.00 C ATOM 1716 NH1 ARG A 112 4.532 8.915 -13.432 1.00 0.00 N ATOM 1717 NH2 ARG A 112 3.167 7.450 -14.552 1.00 0.00 N ATOM 0 H ARG A 112 0.066 7.094 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 112 2.359 5.624 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.410 7.886 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.298 7.369 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.906 8.771 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.110 9.696 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.903 10.458 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.514 9.862 -11.522 1.00 0.00 H new ATOM 0 HE ARG A 112 1.464 8.137 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.679 9.589 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.292 8.695 -14.075 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.261 6.994 -14.664 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.930 7.233 -15.193 1.00 0.00 H new ATOM 1731 N TRP A 113 1.873 7.613 -7.388 1.00 0.00 N ATOM 1732 CA TRP A 113 1.428 7.976 -6.051 1.00 0.00 C ATOM 1733 C TRP A 113 0.994 9.420 -5.971 1.00 0.00 C ATOM 1734 O TRP A 113 1.369 10.251 -6.792 1.00 0.00 O ATOM 1735 CB TRP A 113 2.550 7.852 -5.028 1.00 0.00 C ATOM 1736 CG TRP A 113 3.029 6.478 -4.740 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.718 5.326 -5.387 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.945 6.135 -3.707 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.397 4.279 -4.817 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.154 4.751 -3.774 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.607 6.880 -2.730 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 5.008 4.084 -2.893 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.454 6.223 -1.858 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.647 4.837 -1.945 1.00 0.00 C ATOM 0 H TRP A 113 2.778 8.007 -7.644 1.00 0.00 H new ATOM 0 HA TRP A 113 0.605 7.294 -5.839 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.397 8.443 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.212 8.299 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.039 5.246 -6.223 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.347 3.306 -5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.460 7.948 -2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.158 3.016 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.975 6.786 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.315 4.352 -1.248 1.00 0.00 H new ATOM 1755 N ASN A 114 0.270 9.707 -4.911 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.156 11.050 -4.611 1.00 0.00 C ATOM 1757 C ASN A 114 -0.068 11.240 -3.105 1.00 0.00 C ATOM 1758 O ASN A 114 -0.711 10.523 -2.338 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.586 11.291 -5.100 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.635 11.707 -6.557 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.445 12.878 -6.888 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.893 10.748 -7.438 1.00 0.00 N ATOM 0 H ASN A 114 -0.039 9.011 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 114 0.486 11.768 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.172 10.382 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.051 12.064 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.940 10.969 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.044 9.791 -7.120 1.00 0.00 H new ATOM 1769 N ASP A 115 0.739 12.200 -2.686 1.00 0.00 N ATOM 1770 CA ASP A 115 0.926 12.478 -1.272 1.00 0.00 C ATOM 1771 C ASP A 115 0.004 13.610 -0.828 1.00 0.00 C ATOM 1772 O ASP A 115 0.236 14.776 -1.153 1.00 0.00 O ATOM 1773 CB ASP A 115 2.393 12.834 -1.007 1.00 0.00 C ATOM 1774 CG ASP A 115 2.796 12.591 0.435 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.900 12.353 1.272 1.00 0.00 O ATOM 1776 OD2 ASP A 115 4.009 12.641 0.728 1.00 0.00 O ATOM 0 H ASP A 115 1.278 12.803 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 115 0.671 11.590 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.032 12.244 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.561 13.882 -1.257 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.052 13.259 -0.096 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.015 14.243 0.375 1.00 0.00 C ATOM 1783 C ALA A 116 -2.756 13.737 1.605 1.00 0.00 C ATOM 1784 O ALA A 116 -2.756 12.543 1.884 1.00 0.00 O ATOM 1785 CB ALA A 116 -2.999 14.587 -0.733 1.00 0.00 C ATOM 0 H ALA A 116 -1.259 12.300 0.182 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.471 15.145 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.714 15.324 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.458 14.997 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.531 13.686 -1.040 1.00 0.00 H new ATOM 1791 N PHE A 117 -3.379 14.660 2.335 1.00 0.00 N ATOM 1792 CA PHE A 117 -4.127 14.326 3.544 1.00 0.00 C ATOM 1793 C PHE A 117 -4.790 12.949 3.431 1.00 0.00 C ATOM 1794 O PHE A 117 -4.191 11.943 3.810 1.00 0.00 O ATOM 1795 CB PHE A 117 -5.175 15.406 3.820 1.00 0.00 C ATOM 1796 CG PHE A 117 -4.617 16.800 3.811 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -4.014 17.328 4.941 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -4.695 17.581 2.669 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -3.500 18.611 4.933 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -4.182 18.864 2.655 1.00 0.00 C ATOM 1801 CZ PHE A 117 -3.584 19.379 3.788 1.00 0.00 C ATOM 0 H PHE A 117 -3.380 15.654 2.107 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.427 14.284 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -5.964 15.335 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.636 15.214 4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.945 16.731 5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.162 17.183 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -3.033 19.012 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.249 19.463 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.182 20.381 3.779 1.00 0.00 H new ATOM 1811 N CYS A 118 -6.016 12.915 2.899 1.00 0.00 N ATOM 1812 CA CYS A 118 -6.764 11.666 2.719 1.00 0.00 C ATOM 1813 C CYS A 118 -8.250 11.953 2.509 1.00 0.00 C ATOM 1814 O CYS A 118 -8.706 12.103 1.375 1.00 0.00 O ATOM 1815 CB CYS A 118 -6.583 10.727 3.918 1.00 0.00 C ATOM 1816 SG CYS A 118 -5.622 9.223 3.543 1.00 0.00 S ATOM 0 H CYS A 118 -6.515 13.746 2.583 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.366 11.172 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -6.087 11.272 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -7.565 10.435 4.289 1.00 0.00 H new ATOM 1821 N ASP A 119 -8.995 12.033 3.609 1.00 0.00 N ATOM 1822 CA ASP A 119 -10.428 12.309 3.555 1.00 0.00 C ATOM 1823 C ASP A 119 -11.153 11.319 2.644 1.00 0.00 C ATOM 1824 O ASP A 119 -12.094 11.688 1.943 1.00 0.00 O ATOM 1825 CB ASP A 119 -10.675 13.739 3.071 1.00 0.00 C ATOM 1826 CG ASP A 119 -10.167 14.776 4.053 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -8.949 15.058 4.043 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -10.986 15.308 4.831 1.00 0.00 O ATOM 0 H ASP A 119 -8.628 11.910 4.553 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.826 12.196 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.185 13.884 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -11.743 13.886 2.911 1.00 0.00 H new ATOM 1833 N ARG A 120 -10.712 10.061 2.668 1.00 0.00 N ATOM 1834 CA ARG A 120 -11.319 9.012 1.853 1.00 0.00 C ATOM 1835 C ARG A 120 -11.215 9.336 0.364 1.00 0.00 C ATOM 1836 O ARG A 120 -11.694 10.374 -0.093 1.00 0.00 O ATOM 1837 CB ARG A 120 -12.781 8.822 2.249 1.00 0.00 C ATOM 1838 CG ARG A 120 -13.282 7.399 2.071 1.00 0.00 C ATOM 1839 CD ARG A 120 -13.625 6.759 3.407 1.00 0.00 C ATOM 1840 NE ARG A 120 -15.065 6.592 3.581 1.00 0.00 N ATOM 1841 CZ ARG A 120 -15.755 5.569 3.083 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -15.142 4.631 2.375 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -17.063 5.487 3.293 1.00 0.00 N ATOM 0 H ARG A 120 -9.933 9.744 3.246 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.774 8.086 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -12.907 9.114 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.400 9.493 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.163 7.400 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -12.521 6.804 1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.136 5.787 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.231 7.375 4.216 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.571 7.299 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.137 4.692 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -15.675 3.849 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -17.539 6.208 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.593 4.703 2.912 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.586 8.440 -0.392 1.00 0.00 N ATOM 1858 CA LYS A 121 -10.423 8.642 -1.828 1.00 0.00 C ATOM 1859 C LYS A 121 -10.167 7.325 -2.556 1.00 0.00 C ATOM 1860 O LYS A 121 -10.569 7.157 -3.708 1.00 0.00 O ATOM 1861 CB LYS A 121 -9.274 9.616 -2.096 1.00 0.00 C ATOM 1862 CG LYS A 121 -9.426 10.397 -3.391 1.00 0.00 C ATOM 1863 CD LYS A 121 -10.029 11.772 -3.147 1.00 0.00 C ATOM 1864 CE LYS A 121 -11.215 12.030 -4.062 1.00 0.00 C ATOM 1865 NZ LYS A 121 -12.421 12.462 -3.301 1.00 0.00 N ATOM 0 H LYS A 121 -10.183 7.573 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 121 -11.353 9.062 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -9.203 10.318 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -8.337 9.060 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -8.452 10.505 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -10.058 9.839 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -10.346 11.852 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -9.270 12.537 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -10.951 12.797 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -11.445 11.124 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -13.207 12.628 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -12.688 11.720 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -12.210 13.341 -2.786 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.489 6.396 -1.889 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.176 5.104 -2.489 1.00 0.00 C ATOM 1881 C LEU A 122 -10.319 4.114 -2.317 1.00 0.00 C ATOM 1882 O LEU A 122 -11.407 4.474 -1.865 1.00 0.00 O ATOM 1883 CB LEU A 122 -7.904 4.528 -1.873 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.681 5.433 -1.975 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.380 6.072 -0.631 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.483 4.649 -2.478 1.00 0.00 C ATOM 0 H LEU A 122 -9.147 6.513 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.024 5.267 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.092 4.311 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.678 3.579 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.895 6.227 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.504 6.715 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.235 6.667 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.184 5.293 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.618 5.309 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.265 3.835 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.704 4.239 -3.464 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.061 2.864 -2.686 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.071 1.832 -2.571 1.00 0.00 C ATOM 1900 C GLY A 123 -10.479 0.435 -2.559 1.00 0.00 C ATOM 1901 O GLY A 123 -11.160 -0.530 -2.900 1.00 0.00 O ATOM 0 H GLY A 123 -9.168 2.548 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.642 1.988 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.770 1.919 -3.402 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.211 0.324 -2.168 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.542 -0.970 -2.112 1.00 0.00 C ATOM 1907 C ALA A 124 -7.480 -0.981 -1.023 1.00 0.00 C ATOM 1908 O ALA A 124 -6.704 -0.036 -0.897 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.928 -1.312 -3.461 1.00 0.00 C ATOM 0 H ALA A 124 -8.629 1.113 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.286 -1.729 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.433 -2.281 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.711 -1.352 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.199 -0.549 -3.733 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.445 -2.056 -0.237 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.466 -2.165 0.838 1.00 0.00 C ATOM 1917 C TRP A 125 -5.364 -3.148 0.475 1.00 0.00 C ATOM 1918 O TRP A 125 -5.619 -4.327 0.232 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.127 -2.577 2.160 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.399 -3.353 1.999 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -8.578 -4.499 1.283 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.669 -3.040 2.582 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.883 -4.917 1.379 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.573 -4.037 2.172 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -10.130 -2.012 3.410 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.910 -4.037 2.563 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -11.457 -2.013 3.797 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -12.333 -3.020 3.374 1.00 0.00 C ATOM 0 H TRP A 125 -8.075 -2.853 -0.324 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.023 -1.178 0.972 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.420 -3.176 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.334 -1.680 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -7.806 -5.005 0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.275 -5.747 0.933 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -9.461 -1.231 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.588 -4.812 2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -11.824 -1.224 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -13.364 -2.993 3.695 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.137 -2.646 0.440 1.00 0.00 N ATOM 1940 CA VAL A 126 -2.985 -3.461 0.107 1.00 0.00 C ATOM 1941 C VAL A 126 -2.065 -3.612 1.320 1.00 0.00 C ATOM 1942 O VAL A 126 -1.807 -2.650 2.046 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.213 -2.849 -1.080 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.783 -3.324 -1.101 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.887 -3.192 -2.392 1.00 0.00 C ATOM 0 H VAL A 126 -3.917 -1.670 0.640 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.338 -4.450 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.217 -1.767 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.263 -2.876 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.288 -3.030 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.762 -4.410 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.326 -2.750 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.918 -4.275 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.903 -2.798 -2.393 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.594 -4.833 1.538 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.721 -5.157 2.665 1.00 0.00 C ATOM 1957 C CYS A 127 0.418 -6.057 2.213 1.00 0.00 C ATOM 1958 O CYS A 127 0.374 -6.612 1.122 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.509 -5.845 3.782 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.257 -5.342 3.885 1.00 0.00 S ATOM 0 H CYS A 127 -1.806 -5.630 0.938 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.308 -4.224 3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.462 -6.924 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.025 -5.633 4.736 1.00 0.00 H new ATOM 1965 N ASP A 128 1.441 -6.194 3.045 1.00 0.00 N ATOM 1966 CA ASP A 128 2.571 -7.038 2.709 1.00 0.00 C ATOM 1967 C ASP A 128 2.824 -8.048 3.819 1.00 0.00 C ATOM 1968 O ASP A 128 2.659 -7.749 4.999 1.00 0.00 O ATOM 1969 CB ASP A 128 3.819 -6.190 2.475 1.00 0.00 C ATOM 1970 CG ASP A 128 4.398 -5.643 3.765 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.955 -4.560 4.202 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.295 -6.297 4.338 1.00 0.00 O ATOM 0 H ASP A 128 1.509 -5.733 3.952 1.00 0.00 H new ATOM 0 HA ASP A 128 2.339 -7.577 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.573 -6.791 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.572 -5.362 1.811 1.00 0.00 H new ATOM 1977 N ARG A 129 3.225 -9.244 3.424 1.00 0.00 N ATOM 1978 CA ARG A 129 3.504 -10.315 4.369 1.00 0.00 C ATOM 1979 C ARG A 129 4.445 -11.333 3.748 1.00 0.00 C ATOM 1980 O ARG A 129 4.415 -11.555 2.540 1.00 0.00 O ATOM 1981 CB ARG A 129 2.205 -10.995 4.804 1.00 0.00 C ATOM 1982 CG ARG A 129 2.363 -11.885 6.026 1.00 0.00 C ATOM 1983 CD ARG A 129 1.882 -13.300 5.751 1.00 0.00 C ATOM 1984 NE ARG A 129 1.120 -13.846 6.871 1.00 0.00 N ATOM 1985 CZ ARG A 129 1.122 -15.133 7.207 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.841 -16.003 6.510 1.00 0.00 N ATOM 1987 NH2 ARG A 129 0.403 -15.551 8.239 1.00 0.00 N ATOM 0 H ARG A 129 3.366 -9.500 2.447 1.00 0.00 H new ATOM 0 HA ARG A 129 3.983 -9.884 5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.458 -10.230 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.823 -11.593 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.410 -11.908 6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.800 -11.464 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.262 -13.304 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.740 -13.942 5.549 1.00 0.00 H new ATOM 0 HE ARG A 129 0.555 -13.204 7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.394 -15.686 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.841 -16.989 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.153 -14.886 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.405 -16.538 8.496 1.00 0.00 H new ATOM 2001 N LEU A 130 5.272 -11.955 4.572 1.00 0.00 N ATOM 2002 CA LEU A 130 6.212 -12.954 4.084 1.00 0.00 C ATOM 2003 C LEU A 130 5.475 -14.187 3.573 1.00 0.00 C ATOM 2004 O LEU A 130 4.444 -14.576 4.123 1.00 0.00 O ATOM 2005 CB LEU A 130 7.203 -13.335 5.186 1.00 0.00 C ATOM 2006 CG LEU A 130 8.430 -12.420 5.315 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.660 -13.095 4.731 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.188 -11.074 4.635 1.00 0.00 C ATOM 0 H LEU A 130 5.313 -11.788 5.577 1.00 0.00 H new ATOM 0 HA LEU A 130 6.769 -12.524 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.675 -13.342 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.548 -14.353 5.005 1.00 0.00 H new ATOM 0 HG LEU A 130 8.602 -12.236 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.520 -12.433 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.854 -14.025 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.490 -13.312 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.073 -10.448 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.982 -11.233 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.335 -10.580 5.100 1.00 0.00 H new ATOM 2020 N ALA A 131 6.007 -14.788 2.510 1.00 0.00 N ATOM 2021 CA ALA A 131 5.402 -15.974 1.905 1.00 0.00 C ATOM 2022 C ALA A 131 4.967 -16.986 2.960 1.00 0.00 C ATOM 2023 O ALA A 131 5.534 -17.046 4.051 1.00 0.00 O ATOM 2024 CB ALA A 131 6.373 -16.618 0.926 1.00 0.00 C ATOM 0 H ALA A 131 6.860 -14.472 2.048 1.00 0.00 H new ATOM 0 HA ALA A 131 4.510 -15.653 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.911 -17.500 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.624 -15.905 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.281 -16.911 1.453 1.00 0.00 H new ATOM 2030 N THR A 132 3.955 -17.780 2.622 1.00 0.00 N ATOM 2031 CA THR A 132 3.437 -18.790 3.534 1.00 0.00 C ATOM 2032 C THR A 132 4.083 -20.147 3.273 1.00 0.00 C ATOM 2033 O THR A 132 3.676 -20.877 2.369 1.00 0.00 O ATOM 2034 CB THR A 132 1.918 -18.900 3.396 1.00 0.00 C ATOM 2035 OG1 THR A 132 1.309 -17.629 3.537 1.00 0.00 O ATOM 2036 CG2 THR A 132 1.289 -19.825 4.415 1.00 0.00 C ATOM 0 H THR A 132 3.478 -17.742 1.721 1.00 0.00 H new ATOM 0 HA THR A 132 3.682 -18.483 4.551 1.00 0.00 H new ATOM 0 HB THR A 132 1.748 -19.312 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.338 -17.720 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 132 0.210 -19.857 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.702 -20.827 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 132 1.501 -19.458 5.419 1.00 0.00 H new ATOM 2044 N CYS A 133 5.094 -20.478 4.071 1.00 0.00 N ATOM 2045 CA CYS A 133 5.799 -21.748 3.928 1.00 0.00 C ATOM 2046 C CYS A 133 5.732 -22.557 5.220 1.00 0.00 C ATOM 2047 O CYS A 133 6.518 -22.337 6.142 1.00 0.00 O ATOM 2048 CB CYS A 133 7.258 -21.504 3.541 1.00 0.00 C ATOM 2049 SG CYS A 133 7.655 -21.949 1.819 1.00 0.00 S ATOM 0 H CYS A 133 5.443 -19.884 4.823 1.00 0.00 H new ATOM 0 HA CYS A 133 5.311 -22.319 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 133 7.493 -20.451 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 133 7.901 -22.076 4.210 1.00 0.00 H new ATOM 2054 N THR A 134 4.791 -23.493 5.277 1.00 0.00 N ATOM 2055 CA THR A 134 4.622 -24.337 6.455 1.00 0.00 C ATOM 2056 C THR A 134 5.723 -25.394 6.528 1.00 0.00 C ATOM 2057 O THR A 134 5.817 -26.263 5.660 1.00 0.00 O ATOM 2058 CB THR A 134 3.251 -25.014 6.431 1.00 0.00 C ATOM 2059 OG1 THR A 134 2.251 -24.106 6.005 1.00 0.00 O ATOM 2060 CG2 THR A 134 2.831 -25.562 7.777 1.00 0.00 C ATOM 0 H THR A 134 4.134 -23.687 4.522 1.00 0.00 H new ATOM 0 HA THR A 134 4.691 -23.703 7.339 1.00 0.00 H new ATOM 0 HB THR A 134 3.351 -25.846 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 134 1.382 -24.558 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 134 1.850 -26.029 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 134 3.557 -26.303 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 134 2.783 -24.749 8.502 1.00 0.00 H new ATOM 2068 N PRO A 135 6.575 -25.335 7.568 1.00 0.00 N ATOM 2069 CA PRO A 135 7.671 -26.294 7.744 1.00 0.00 C ATOM 2070 C PRO A 135 7.168 -27.690 8.104 1.00 0.00 C ATOM 2071 O PRO A 135 6.260 -27.838 8.921 1.00 0.00 O ATOM 2072 CB PRO A 135 8.480 -25.702 8.900 1.00 0.00 C ATOM 2073 CG PRO A 135 7.501 -24.881 9.665 1.00 0.00 C ATOM 2074 CD PRO A 135 6.537 -24.333 8.649 1.00 0.00 C ATOM 0 HA PRO A 135 8.247 -26.427 6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 135 8.912 -26.485 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.307 -25.093 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 135 6.982 -25.485 10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 135 8.002 -24.075 10.202 1.00 0.00 H new ATOM 0 HD2 PRO A 135 5.534 -24.226 9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 135 6.842 -23.348 8.295 1.00 0.00 H new ATOM 2082 N PRO A 136 7.755 -28.738 7.497 1.00 0.00 N ATOM 2083 CA PRO A 136 7.361 -30.125 7.759 1.00 0.00 C ATOM 2084 C PRO A 136 7.858 -30.625 9.112 1.00 0.00 C ATOM 2085 O PRO A 136 7.677 -31.793 9.456 1.00 0.00 O ATOM 2086 CB PRO A 136 8.030 -30.899 6.623 1.00 0.00 C ATOM 2087 CG PRO A 136 9.231 -30.090 6.276 1.00 0.00 C ATOM 2088 CD PRO A 136 8.848 -28.652 6.507 1.00 0.00 C ATOM 0 HA PRO A 136 6.278 -30.243 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 136 8.307 -31.905 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 136 7.362 -31.005 5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 136 10.082 -30.371 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 136 9.524 -30.253 5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 136 9.688 -28.070 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 136 8.518 -28.172 5.586 1.00 0.00 H new ATOM 2096 N ALA A 137 8.486 -29.732 9.872 1.00 0.00 N ATOM 2097 CA ALA A 137 9.013 -30.078 11.189 1.00 0.00 C ATOM 2098 C ALA A 137 10.020 -31.219 11.098 1.00 0.00 C ATOM 2099 O ALA A 137 10.482 -31.568 10.011 1.00 0.00 O ATOM 2100 CB ALA A 137 7.878 -30.445 12.134 1.00 0.00 C ATOM 0 H ALA A 137 8.643 -28.762 9.598 1.00 0.00 H new ATOM 0 HA ALA A 137 9.531 -29.204 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 137 8.287 -30.700 13.112 1.00 0.00 H new ATOM 0 HB2 ALA A 137 7.200 -29.598 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 137 7.333 -31.300 11.734 1.00 0.00 H new ATOM 2106 N SER A 138 10.358 -31.798 12.246 1.00 0.00 N ATOM 2107 CA SER A 138 11.312 -32.900 12.297 1.00 0.00 C ATOM 2108 C SER A 138 10.739 -34.148 11.632 1.00 0.00 C ATOM 2109 O SER A 138 9.534 -34.238 11.394 1.00 0.00 O ATOM 2110 CB SER A 138 11.690 -33.209 13.746 1.00 0.00 C ATOM 2111 OG SER A 138 10.577 -33.051 14.609 1.00 0.00 O ATOM 0 H SER A 138 9.985 -31.522 13.154 1.00 0.00 H new ATOM 0 HA SER A 138 12.206 -32.598 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.067 -34.229 13.817 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.497 -32.548 14.063 1.00 0.00 H new ATOM 0 HG SER A 138 10.557 -32.133 14.952 1.00 0.00 H new ATOM 2117 N GLU A 139 11.610 -35.107 11.337 1.00 0.00 N ATOM 2118 CA GLU A 139 11.192 -36.350 10.699 1.00 0.00 C ATOM 2119 C GLU A 139 11.890 -37.548 11.335 1.00 0.00 C ATOM 2120 O GLU A 139 11.247 -38.533 11.700 1.00 0.00 O ATOM 2121 CB GLU A 139 11.492 -36.306 9.199 1.00 0.00 C ATOM 2122 CG GLU A 139 10.250 -36.386 8.327 1.00 0.00 C ATOM 2123 CD GLU A 139 10.354 -37.458 7.261 1.00 0.00 C ATOM 2124 OE1 GLU A 139 11.352 -37.452 6.509 1.00 0.00 O ATOM 2125 OE2 GLU A 139 9.439 -38.302 7.176 1.00 0.00 O ATOM 0 H GLU A 139 12.610 -35.047 11.530 1.00 0.00 H new ATOM 0 HA GLU A 139 10.117 -36.459 10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.027 -35.384 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.157 -37.131 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.382 -36.587 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.082 -35.420 7.850 1.00 0.00 H new ATOM 2132 N GLY A 140 13.210 -37.457 11.461 1.00 0.00 N ATOM 2133 CA GLY A 140 13.977 -38.540 12.052 1.00 0.00 C ATOM 2134 C GLY A 140 13.743 -38.668 13.544 1.00 0.00 C ATOM 2135 O GLY A 140 13.998 -37.730 14.301 1.00 0.00 O ATOM 0 H GLY A 140 13.763 -36.653 11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 140 13.712 -39.478 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 140 15.038 -38.373 11.867 1.00 0.00 H new ATOM 2139 N SER A 141 13.257 -39.830 13.968 1.00 0.00 N ATOM 2140 CA SER A 141 12.990 -40.078 15.380 1.00 0.00 C ATOM 2141 C SER A 141 13.382 -41.500 15.766 1.00 0.00 C ATOM 2142 O SER A 141 14.226 -41.708 16.637 1.00 0.00 O ATOM 2143 CB SER A 141 11.510 -39.842 15.689 1.00 0.00 C ATOM 2144 OG SER A 141 10.697 -40.182 14.580 1.00 0.00 O ATOM 0 H SER A 141 13.040 -40.615 13.354 1.00 0.00 H new ATOM 0 HA SER A 141 13.592 -39.383 15.966 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.217 -40.436 16.555 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.353 -38.796 15.952 1.00 0.00 H new ATOM 0 HG SER A 141 9.756 -40.024 14.803 1.00 0.00 H new ATOM 2150 N ALA A 142 12.762 -42.478 15.111 1.00 0.00 N ATOM 2151 CA ALA A 142 13.046 -43.882 15.384 1.00 0.00 C ATOM 2152 C ALA A 142 13.989 -44.465 14.336 1.00 0.00 C ATOM 2153 O ALA A 142 13.578 -45.259 13.490 1.00 0.00 O ATOM 2154 CB ALA A 142 11.751 -44.680 15.437 1.00 0.00 C ATOM 0 H ALA A 142 12.060 -42.323 14.388 1.00 0.00 H new ATOM 0 HA ALA A 142 13.540 -43.947 16.354 1.00 0.00 H new ATOM 0 HB1 ALA A 142 11.977 -45.727 15.641 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.113 -44.285 16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 142 11.235 -44.600 14.480 1.00 0.00 H new ATOM 2160 N GLU A 143 15.254 -44.065 14.400 1.00 0.00 N ATOM 2161 CA GLU A 143 16.258 -44.546 13.459 1.00 0.00 C ATOM 2162 C GLU A 143 17.281 -45.435 14.158 1.00 0.00 C ATOM 2163 O GLU A 143 17.392 -45.344 15.399 1.00 0.00 O ATOM 2164 CB GLU A 143 16.965 -43.368 12.786 1.00 0.00 C ATOM 2165 CG GLU A 143 16.042 -42.509 11.938 1.00 0.00 C ATOM 2166 CD GLU A 143 16.494 -42.420 10.493 1.00 0.00 C ATOM 2167 OE1 GLU A 143 17.657 -42.030 10.258 1.00 0.00 O ATOM 2168 OE2 GLU A 143 15.684 -42.739 9.596 1.00 0.00 O ATOM 2169 OXT GLU A 143 17.963 -46.214 13.461 1.00 0.00 O ATOM 0 H GLU A 143 15.609 -43.408 15.095 1.00 0.00 H new ATOM 0 HA GLU A 143 15.749 -45.138 12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.425 -42.745 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 143 17.771 -43.749 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 143 15.033 -42.920 11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 143 15.993 -41.506 12.362 1.00 0.00 H new TER 2176 GLU A 143