USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1010 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 112 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.199) USER MOD Set 1.2: A 117 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0619) USER MOD Set 2.1: A 103 GLN : amide:sc= -4.63 K(o=-15,f=-22!) USER MOD Set 2.2: A 104 GLN : amide:sc= -10.5! C(o=-15!,f=-22!) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.2: A 64 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.0873 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= -1.21! USER MOD Single : A 13 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.895 K(o=-0.89,f=-4.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0675) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.292 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0391) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -3:sc= 1.01 USER MOD Single : A 39 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.068) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.056) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 162:sc= -4.91! (180deg=-6.58!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.071) USER MOD Single : A 63 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 82 TYR OH : rot 51:sc= -0.889 USER MOD Single : A 84 ASN : amide:sc= -5.64 K(o=-5.6,f=-6.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.13) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.277 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.142 USER MOD Single : A 113 LYS NZ :NH3+ 154:sc= -6.43! (180deg=-9.44!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.314 4.477 -15.123 1.00 0.00 N ATOM 2 CA SER A 1 8.919 4.014 -14.901 1.00 0.00 C ATOM 3 C SER A 1 8.433 4.384 -13.504 1.00 0.00 C ATOM 4 O SER A 1 9.178 4.956 -12.708 1.00 0.00 O ATOM 5 CB SER A 1 8.872 2.498 -15.093 1.00 0.00 C ATOM 6 OG SER A 1 8.928 2.156 -16.468 1.00 0.00 O ATOM 0 H1 SER A 1 10.337 5.138 -15.926 1.00 0.00 H new ATOM 0 H2 SER A 1 10.660 4.958 -14.268 1.00 0.00 H new ATOM 0 H3 SER A 1 10.922 3.659 -15.331 1.00 0.00 H new ATOM 0 HA SER A 1 8.260 4.503 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.706 2.035 -14.566 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.957 2.101 -14.653 1.00 0.00 H new ATOM 0 HG SER A 1 8.898 1.181 -16.564 1.00 0.00 H new ATOM 14 N ARG A 2 7.179 4.056 -13.212 1.00 0.00 N ATOM 15 CA ARG A 2 6.592 4.357 -11.913 1.00 0.00 C ATOM 16 C ARG A 2 6.635 3.142 -10.999 1.00 0.00 C ATOM 17 O ARG A 2 6.615 2.004 -11.469 1.00 0.00 O ATOM 18 CB ARG A 2 5.137 4.797 -12.087 1.00 0.00 C ATOM 19 CG ARG A 2 4.969 6.292 -12.273 1.00 0.00 C ATOM 20 CD ARG A 2 4.513 6.634 -13.683 1.00 0.00 C ATOM 21 NE ARG A 2 3.933 7.972 -13.760 1.00 0.00 N ATOM 22 CZ ARG A 2 3.787 8.654 -14.894 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.180 8.128 -16.048 1.00 0.00 N ATOM 24 NH2 ARG A 2 3.248 9.865 -14.874 1.00 0.00 N ATOM 0 H ARG A 2 6.549 3.581 -13.859 1.00 0.00 H new ATOM 0 HA ARG A 2 7.174 5.160 -11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.712 4.283 -12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.565 4.482 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.242 6.669 -11.554 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.914 6.794 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.361 6.566 -14.365 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.778 5.900 -14.014 1.00 0.00 H new ATOM 0 HE ARG A 2 3.621 8.410 -12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.596 7.197 -16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.066 8.655 -16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.945 10.274 -13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.136 10.388 -15.743 1.00 0.00 H new ATOM 38 N LEU A 3 6.654 3.386 -9.691 1.00 0.00 N ATOM 39 CA LEU A 3 6.645 2.298 -8.724 1.00 0.00 C ATOM 40 C LEU A 3 5.283 1.632 -8.779 1.00 0.00 C ATOM 41 O LEU A 3 4.458 1.791 -7.879 1.00 0.00 O ATOM 42 CB LEU A 3 6.920 2.824 -7.314 1.00 0.00 C ATOM 43 CG LEU A 3 6.871 1.769 -6.209 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.079 0.852 -6.300 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.805 2.433 -4.842 1.00 0.00 C ATOM 0 H LEU A 3 6.676 4.320 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 3 7.428 1.580 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.903 3.294 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.192 3.602 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 3 5.971 1.168 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.030 0.106 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.084 0.352 -7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.991 1.439 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.771 1.667 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.687 3.056 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.910 3.052 -4.781 1.00 0.00 H new ATOM 57 N GLU A 4 5.036 0.934 -9.877 1.00 0.00 N ATOM 58 CA GLU A 4 3.756 0.293 -10.098 1.00 0.00 C ATOM 59 C GLU A 4 3.854 -1.228 -10.061 1.00 0.00 C ATOM 60 O GLU A 4 4.943 -1.800 -10.042 1.00 0.00 O ATOM 61 CB GLU A 4 3.195 0.759 -11.445 1.00 0.00 C ATOM 62 CG GLU A 4 3.604 -0.107 -12.629 1.00 0.00 C ATOM 63 CD GLU A 4 3.817 0.699 -13.895 1.00 0.00 C ATOM 64 OE1 GLU A 4 2.833 0.924 -14.630 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.971 1.106 -14.153 1.00 0.00 O ATOM 0 H GLU A 4 5.711 0.799 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 4 3.086 0.582 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.107 0.780 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.524 1.782 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.522 -0.641 -12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.836 -0.859 -12.807 1.00 0.00 H new ATOM 72 N GLY A 5 2.690 -1.866 -10.055 1.00 0.00 N ATOM 73 CA GLY A 5 2.618 -3.312 -10.024 1.00 0.00 C ATOM 74 C GLY A 5 1.341 -3.786 -9.371 1.00 0.00 C ATOM 75 O GLY A 5 0.320 -3.103 -9.439 1.00 0.00 O ATOM 0 H GLY A 5 1.784 -1.399 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.676 -3.703 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.475 -3.709 -9.481 1.00 0.00 H new ATOM 79 N TRP A 6 1.389 -4.944 -8.732 1.00 0.00 N ATOM 80 CA TRP A 6 0.213 -5.480 -8.062 1.00 0.00 C ATOM 81 C TRP A 6 0.485 -5.707 -6.588 1.00 0.00 C ATOM 82 O TRP A 6 1.406 -6.434 -6.216 1.00 0.00 O ATOM 83 CB TRP A 6 -0.230 -6.788 -8.706 1.00 0.00 C ATOM 84 CG TRP A 6 -0.465 -6.658 -10.170 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.488 -6.602 -11.133 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.724 -6.557 -10.838 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.094 -6.463 -12.366 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.456 -6.439 -12.213 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.051 -6.556 -10.406 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.467 -6.319 -13.162 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.057 -6.439 -11.347 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.761 -6.322 -12.712 1.00 0.00 C ATOM 0 H TRP A 6 2.223 -5.528 -8.663 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.586 -4.746 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.530 -7.550 -8.531 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.145 -7.133 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.552 -6.659 -10.954 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.405 -6.389 -13.253 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.288 -6.645 -9.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.240 -6.227 -14.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.088 -6.438 -11.025 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.569 -6.232 -13.423 1.00 0.00 H new ATOM 103 N LEU A 7 -0.338 -5.099 -5.752 1.00 0.00 N ATOM 104 CA LEU A 7 -0.208 -5.250 -4.317 1.00 0.00 C ATOM 105 C LEU A 7 -1.489 -5.841 -3.765 1.00 0.00 C ATOM 106 O LEU A 7 -2.562 -5.650 -4.327 1.00 0.00 O ATOM 107 CB LEU A 7 0.104 -3.913 -3.655 1.00 0.00 C ATOM 108 CG LEU A 7 1.476 -3.330 -4.005 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.540 -1.861 -3.632 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.578 -4.108 -3.303 1.00 0.00 C ATOM 0 H LEU A 7 -1.105 -4.494 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 7 0.622 -5.922 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.664 -3.194 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.041 -4.035 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 7 1.624 -3.417 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.522 -1.463 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.773 -1.313 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.371 -1.750 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.547 -3.681 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.433 -4.051 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.545 -5.151 -3.619 1.00 0.00 H new ATOM 122 N SER A 8 -1.371 -6.586 -2.688 1.00 0.00 N ATOM 123 CA SER A 8 -2.531 -7.239 -2.102 1.00 0.00 C ATOM 124 C SER A 8 -3.134 -6.436 -0.959 1.00 0.00 C ATOM 125 O SER A 8 -2.425 -5.902 -0.108 1.00 0.00 O ATOM 126 CB SER A 8 -2.158 -8.644 -1.630 1.00 0.00 C ATOM 127 OG SER A 8 -2.655 -9.627 -2.522 1.00 0.00 O ATOM 0 H SER A 8 -0.492 -6.757 -2.200 1.00 0.00 H new ATOM 0 HA SER A 8 -3.293 -7.307 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.074 -8.731 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.562 -8.816 -0.632 1.00 0.00 H new ATOM 0 HG SER A 8 -2.157 -10.462 -2.399 1.00 0.00 H new ATOM 133 N LEU A 9 -4.460 -6.368 -0.955 1.00 0.00 N ATOM 134 CA LEU A 9 -5.196 -5.645 0.072 1.00 0.00 C ATOM 135 C LEU A 9 -6.159 -6.586 0.789 1.00 0.00 C ATOM 136 O LEU A 9 -6.609 -7.579 0.217 1.00 0.00 O ATOM 137 CB LEU A 9 -5.967 -4.481 -0.551 1.00 0.00 C ATOM 138 CG LEU A 9 -5.098 -3.392 -1.183 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.745 -3.757 -2.617 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.810 -2.048 -1.134 1.00 0.00 C ATOM 0 H LEU A 9 -5.051 -6.810 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.486 -5.248 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.638 -4.877 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.591 -4.026 0.218 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.173 -3.313 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.127 -2.971 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.196 -4.699 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.659 -3.863 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.178 -1.285 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.750 -2.114 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.013 -1.781 -0.097 1.00 0.00 H new ATOM 152 N PRO A 10 -6.490 -6.290 2.056 1.00 0.00 N ATOM 153 CA PRO A 10 -7.402 -7.124 2.844 1.00 0.00 C ATOM 154 C PRO A 10 -8.786 -7.232 2.210 1.00 0.00 C ATOM 155 O PRO A 10 -9.586 -6.299 2.278 1.00 0.00 O ATOM 156 CB PRO A 10 -7.483 -6.404 4.197 1.00 0.00 C ATOM 157 CG PRO A 10 -7.002 -5.017 3.933 1.00 0.00 C ATOM 158 CD PRO A 10 -6.001 -5.131 2.820 1.00 0.00 C ATOM 0 HA PRO A 10 -7.044 -8.151 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.503 -6.400 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.863 -6.900 4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.828 -4.365 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.547 -4.586 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.971 -4.228 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.992 -5.293 3.199 1.00 0.00 H new ATOM 166 N VAL A 11 -9.060 -8.379 1.596 1.00 0.00 N ATOM 167 CA VAL A 11 -10.348 -8.615 0.949 1.00 0.00 C ATOM 168 C VAL A 11 -11.230 -9.530 1.788 1.00 0.00 C ATOM 169 O VAL A 11 -10.814 -10.022 2.836 1.00 0.00 O ATOM 170 CB VAL A 11 -10.188 -9.233 -0.457 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.153 -8.145 -1.511 1.00 0.00 C ATOM 172 CG2 VAL A 11 -8.940 -10.105 -0.537 1.00 0.00 C ATOM 0 H VAL A 11 -8.408 -9.160 1.532 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.821 -7.638 0.852 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.051 -9.872 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.040 -8.597 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.082 -7.576 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.312 -7.479 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.854 -10.526 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.059 -9.500 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.013 -10.913 0.191 1.00 0.00 H new ATOM 182 N ARG A 12 -12.451 -9.754 1.316 1.00 0.00 N ATOM 183 CA ARG A 12 -13.400 -10.611 2.018 1.00 0.00 C ATOM 184 C ARG A 12 -14.091 -11.578 1.058 1.00 0.00 C ATOM 185 O ARG A 12 -15.046 -12.258 1.433 1.00 0.00 O ATOM 186 CB ARG A 12 -14.445 -9.761 2.743 1.00 0.00 C ATOM 187 CG ARG A 12 -14.947 -8.584 1.923 1.00 0.00 C ATOM 188 CD ARG A 12 -15.666 -7.562 2.789 1.00 0.00 C ATOM 189 NE ARG A 12 -14.918 -6.312 2.895 1.00 0.00 N ATOM 190 CZ ARG A 12 -15.116 -5.406 3.850 1.00 0.00 C ATOM 191 NH1 ARG A 12 -16.038 -5.608 4.784 1.00 0.00 N ATOM 192 NH2 ARG A 12 -14.390 -4.296 3.872 1.00 0.00 N ATOM 0 H ARG A 12 -12.808 -9.353 0.449 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.843 -11.197 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.291 -10.393 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.016 -9.388 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.107 -8.107 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.623 -8.943 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.652 -7.360 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.822 -7.977 3.785 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.201 -6.122 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.598 -6.460 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.186 -4.911 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.680 -4.137 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.542 -3.602 4.604 1.00 0.00 H new ATOM 206 N ASN A 13 -13.597 -11.639 -0.178 1.00 0.00 N ATOM 207 CA ASN A 13 -14.158 -12.524 -1.192 1.00 0.00 C ATOM 208 C ASN A 13 -15.664 -12.305 -1.355 1.00 0.00 C ATOM 209 O ASN A 13 -16.095 -11.537 -2.215 1.00 0.00 O ATOM 210 CB ASN A 13 -13.864 -13.981 -0.839 1.00 0.00 C ATOM 211 CG ASN A 13 -12.448 -14.386 -1.195 1.00 0.00 C ATOM 212 OD1 ASN A 13 -12.231 -15.292 -2.001 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.470 -13.717 -0.593 1.00 0.00 N ATOM 0 H ASN A 13 -12.805 -11.082 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.685 -12.287 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.025 -14.133 0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.567 -14.628 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.497 -13.947 -0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.693 -12.973 0.068 1.00 0.00 H new ATOM 220 N ASN A 14 -16.458 -12.980 -0.529 1.00 0.00 N ATOM 221 CA ASN A 14 -17.910 -12.853 -0.592 1.00 0.00 C ATOM 222 C ASN A 14 -18.449 -12.142 0.646 1.00 0.00 C ATOM 223 O ASN A 14 -19.185 -11.160 0.537 1.00 0.00 O ATOM 224 CB ASN A 14 -18.561 -14.231 -0.727 1.00 0.00 C ATOM 225 CG ASN A 14 -17.974 -15.248 0.231 1.00 0.00 C ATOM 226 OD1 ASN A 14 -18.481 -15.440 1.337 1.00 0.00 O ATOM 227 ND2 ASN A 14 -16.899 -15.906 -0.186 1.00 0.00 N ATOM 0 H ASN A 14 -16.121 -13.619 0.191 1.00 0.00 H new ATOM 0 HA ASN A 14 -18.158 -12.256 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.632 -14.142 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.439 -14.588 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.461 -16.602 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.511 -15.716 -1.110 1.00 0.00 H new ATOM 234 N THR A 15 -18.081 -12.642 1.821 1.00 0.00 N ATOM 235 CA THR A 15 -18.530 -12.053 3.077 1.00 0.00 C ATOM 236 C THR A 15 -17.951 -12.808 4.270 1.00 0.00 C ATOM 237 O THR A 15 -17.376 -12.208 5.179 1.00 0.00 O ATOM 238 CB THR A 15 -20.058 -12.057 3.151 1.00 0.00 C ATOM 239 OG1 THR A 15 -20.497 -11.702 4.449 1.00 0.00 O ATOM 240 CG2 THR A 15 -20.671 -13.397 2.809 1.00 0.00 C ATOM 0 H THR A 15 -17.473 -13.454 1.930 1.00 0.00 H new ATOM 0 HA THR A 15 -18.174 -11.023 3.113 1.00 0.00 H new ATOM 0 HB THR A 15 -20.385 -11.328 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 15 -21.477 -11.709 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.757 -13.330 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.391 -13.676 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 15 -20.307 -14.152 3.506 1.00 0.00 H new ATOM 248 N LYS A 16 -18.107 -14.127 4.261 1.00 0.00 N ATOM 249 CA LYS A 16 -17.601 -14.965 5.342 1.00 0.00 C ATOM 250 C LYS A 16 -16.100 -15.194 5.196 1.00 0.00 C ATOM 251 O LYS A 16 -15.355 -15.136 6.174 1.00 0.00 O ATOM 252 CB LYS A 16 -18.332 -16.309 5.362 1.00 0.00 C ATOM 253 CG LYS A 16 -19.808 -16.194 5.704 1.00 0.00 C ATOM 254 CD LYS A 16 -20.633 -17.242 4.974 1.00 0.00 C ATOM 255 CE LYS A 16 -21.311 -16.659 3.745 1.00 0.00 C ATOM 256 NZ LYS A 16 -22.313 -17.596 3.167 1.00 0.00 N ATOM 0 H LYS A 16 -18.580 -14.639 3.517 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.783 -14.446 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.230 -16.783 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.850 -16.965 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.943 -16.308 6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.167 -15.199 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.990 -18.071 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.387 -17.648 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.801 -15.722 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.558 -16.423 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.753 -17.161 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.842 -18.481 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.046 -17.802 3.876 1.00 0.00 H new ATOM 270 N LYS A 17 -15.664 -15.455 3.968 1.00 0.00 N ATOM 271 CA LYS A 17 -14.253 -15.695 3.695 1.00 0.00 C ATOM 272 C LYS A 17 -13.501 -14.380 3.511 1.00 0.00 C ATOM 273 O LYS A 17 -14.096 -13.304 3.538 1.00 0.00 O ATOM 274 CB LYS A 17 -14.096 -16.568 2.446 1.00 0.00 C ATOM 275 CG LYS A 17 -13.650 -17.989 2.750 1.00 0.00 C ATOM 276 CD LYS A 17 -12.144 -18.071 2.945 1.00 0.00 C ATOM 277 CE LYS A 17 -11.398 -17.826 1.643 1.00 0.00 C ATOM 278 NZ LYS A 17 -10.844 -19.087 1.077 1.00 0.00 N ATOM 0 H LYS A 17 -16.267 -15.506 3.147 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.826 -16.217 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.047 -16.600 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.371 -16.104 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.154 -18.345 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.949 -18.648 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.832 -17.337 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.880 -19.053 3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.072 -17.368 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.587 -17.118 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.343 -18.879 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.182 -19.511 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.620 -19.753 0.888 1.00 0.00 H new ATOM 292 N PHE A 18 -12.189 -14.479 3.326 1.00 0.00 N ATOM 293 CA PHE A 18 -11.349 -13.302 3.137 1.00 0.00 C ATOM 294 C PHE A 18 -9.910 -13.708 2.842 1.00 0.00 C ATOM 295 O PHE A 18 -9.522 -14.857 3.054 1.00 0.00 O ATOM 296 CB PHE A 18 -11.391 -12.412 4.380 1.00 0.00 C ATOM 297 CG PHE A 18 -11.178 -13.164 5.663 1.00 0.00 C ATOM 298 CD1 PHE A 18 -9.941 -13.713 5.961 1.00 0.00 C ATOM 299 CD2 PHE A 18 -12.212 -13.321 6.571 1.00 0.00 C ATOM 300 CE1 PHE A 18 -9.740 -14.406 7.140 1.00 0.00 C ATOM 301 CE2 PHE A 18 -12.018 -14.012 7.752 1.00 0.00 C ATOM 302 CZ PHE A 18 -10.780 -14.555 8.036 1.00 0.00 C ATOM 0 H PHE A 18 -11.683 -15.365 3.303 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.737 -12.743 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.627 -11.639 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.355 -11.904 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.124 -13.598 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.182 -12.898 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.771 -14.830 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.833 -14.127 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.626 -15.096 8.958 1.00 0.00 H new ATOM 312 N GLY A 19 -9.121 -12.757 2.352 1.00 0.00 N ATOM 313 CA GLY A 19 -7.734 -13.040 2.037 1.00 0.00 C ATOM 314 C GLY A 19 -7.008 -11.833 1.478 1.00 0.00 C ATOM 315 O GLY A 19 -7.028 -10.756 2.073 1.00 0.00 O ATOM 0 H GLY A 19 -9.417 -11.798 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.223 -13.383 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.688 -13.855 1.314 1.00 0.00 H new ATOM 319 N TRP A 20 -6.364 -12.016 0.330 1.00 0.00 N ATOM 320 CA TRP A 20 -5.626 -10.935 -0.314 1.00 0.00 C ATOM 321 C TRP A 20 -6.046 -10.784 -1.771 1.00 0.00 C ATOM 322 O TRP A 20 -6.515 -11.735 -2.393 1.00 0.00 O ATOM 323 CB TRP A 20 -4.124 -11.202 -0.236 1.00 0.00 C ATOM 324 CG TRP A 20 -3.603 -11.279 1.166 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.108 -12.383 1.797 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.521 -10.205 2.110 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.723 -12.060 3.077 1.00 0.00 N ATOM 328 CE2 TRP A 20 -2.967 -10.730 3.293 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.863 -8.851 2.069 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.747 -9.947 4.424 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.645 -8.075 3.192 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.090 -8.625 4.355 1.00 0.00 C ATOM 0 H TRP A 20 -6.338 -12.903 -0.174 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.855 -10.008 0.212 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.902 -12.138 -0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.594 -10.412 -0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.030 -13.366 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.321 -12.706 3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.290 -8.419 1.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.321 -10.369 5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.907 -7.027 3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.930 -7.992 5.215 1.00 0.00 H new ATOM 343 N VAL A 21 -5.873 -9.581 -2.311 1.00 0.00 N ATOM 344 CA VAL A 21 -6.238 -9.315 -3.698 1.00 0.00 C ATOM 345 C VAL A 21 -5.255 -8.348 -4.360 1.00 0.00 C ATOM 346 O VAL A 21 -5.131 -7.196 -3.949 1.00 0.00 O ATOM 347 CB VAL A 21 -7.670 -8.744 -3.793 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.744 -7.343 -3.202 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.153 -8.750 -5.234 1.00 0.00 C ATOM 0 H VAL A 21 -5.485 -8.780 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.198 -10.267 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.328 -9.386 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.764 -6.967 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.451 -7.375 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.070 -6.682 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.164 -8.344 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.488 -8.138 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.155 -9.772 -5.613 1.00 0.00 H new ATOM 359 N LYS A 22 -4.551 -8.826 -5.387 1.00 0.00 N ATOM 360 CA LYS A 22 -3.580 -7.998 -6.093 1.00 0.00 C ATOM 361 C LYS A 22 -4.265 -6.935 -6.942 1.00 0.00 C ATOM 362 O LYS A 22 -4.865 -7.238 -7.973 1.00 0.00 O ATOM 363 CB LYS A 22 -2.693 -8.855 -7.002 1.00 0.00 C ATOM 364 CG LYS A 22 -1.267 -9.014 -6.508 1.00 0.00 C ATOM 365 CD LYS A 22 -0.511 -10.062 -7.313 1.00 0.00 C ATOM 366 CE LYS A 22 -0.569 -9.781 -8.811 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.664 -11.037 -9.605 1.00 0.00 N ATOM 0 H LYS A 22 -4.636 -9.777 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.969 -7.509 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.143 -9.843 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.674 -8.410 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.749 -8.058 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.275 -9.298 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.529 -10.088 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.932 -11.047 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.428 -9.147 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.320 -9.227 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.701 -10.805 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.169 -11.631 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.526 -11.553 -9.336 1.00 0.00 H new ATOM 381 N LYS A 23 -4.134 -5.685 -6.521 1.00 0.00 N ATOM 382 CA LYS A 23 -4.694 -4.565 -7.255 1.00 0.00 C ATOM 383 C LYS A 23 -3.557 -3.790 -7.897 1.00 0.00 C ATOM 384 O LYS A 23 -2.480 -3.665 -7.314 1.00 0.00 O ATOM 385 CB LYS A 23 -5.501 -3.653 -6.333 1.00 0.00 C ATOM 386 CG LYS A 23 -6.577 -4.382 -5.547 1.00 0.00 C ATOM 387 CD LYS A 23 -7.596 -5.027 -6.472 1.00 0.00 C ATOM 388 CE LYS A 23 -8.992 -4.990 -5.876 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.575 -3.619 -5.908 1.00 0.00 N ATOM 0 H LYS A 23 -3.640 -5.422 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.371 -4.940 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.822 -3.163 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.967 -2.868 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.117 -5.146 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.080 -3.682 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.595 -4.511 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.310 -6.061 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.640 -5.673 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.956 -5.345 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.596 -3.672 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.118 -3.030 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.418 -3.197 -6.845 1.00 0.00 H new ATOM 403 N TYR A 24 -3.778 -3.293 -9.099 1.00 0.00 N ATOM 404 CA TYR A 24 -2.735 -2.561 -9.799 1.00 0.00 C ATOM 405 C TYR A 24 -2.499 -1.190 -9.181 1.00 0.00 C ATOM 406 O TYR A 24 -3.266 -0.253 -9.399 1.00 0.00 O ATOM 407 CB TYR A 24 -3.059 -2.422 -11.283 1.00 0.00 C ATOM 408 CG TYR A 24 -1.827 -2.495 -12.154 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.872 -3.483 -11.947 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.608 -1.573 -13.168 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.264 -3.554 -12.727 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.471 -1.636 -13.953 1.00 0.00 C ATOM 413 CZ TYR A 24 0.462 -2.627 -13.729 1.00 0.00 C ATOM 414 OH TYR A 24 1.593 -2.692 -14.507 1.00 0.00 O ATOM 0 H TYR A 24 -4.658 -3.380 -9.608 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.817 -3.140 -9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.754 -3.210 -11.575 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.565 -1.472 -11.454 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.022 -4.209 -11.161 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.336 -0.795 -13.347 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.994 -4.331 -12.554 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.314 -0.912 -14.739 1.00 0.00 H new ATOM 0 HH TYR A 24 1.578 -1.967 -15.167 1.00 0.00 H new ATOM 424 N VAL A 25 -1.417 -1.085 -8.419 1.00 0.00 N ATOM 425 CA VAL A 25 -1.049 0.167 -7.772 1.00 0.00 C ATOM 426 C VAL A 25 0.119 0.814 -8.504 1.00 0.00 C ATOM 427 O VAL A 25 1.177 0.206 -8.652 1.00 0.00 O ATOM 428 CB VAL A 25 -0.654 -0.048 -6.296 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.654 1.273 -5.547 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.584 -1.050 -5.625 1.00 0.00 C ATOM 0 H VAL A 25 -0.776 -1.857 -8.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.923 0.818 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 25 0.356 -0.457 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.373 1.102 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.061 1.953 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.650 1.713 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.285 -1.184 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.608 -0.678 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.526 -2.006 -6.146 1.00 0.00 H new ATOM 440 N ILE A 26 -0.077 2.044 -8.966 1.00 0.00 N ATOM 441 CA ILE A 26 0.970 2.765 -9.685 1.00 0.00 C ATOM 442 C ILE A 26 1.289 4.084 -8.990 1.00 0.00 C ATOM 443 O ILE A 26 0.445 4.977 -8.919 1.00 0.00 O ATOM 444 CB ILE A 26 0.559 3.053 -11.147 1.00 0.00 C ATOM 445 CG1 ILE A 26 -0.243 1.877 -11.720 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.789 3.339 -12.004 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.503 1.981 -13.208 1.00 0.00 C ATOM 0 H ILE A 26 -0.948 2.563 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 26 1.854 2.128 -9.688 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.076 3.939 -11.160 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.295 0.950 -11.519 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.197 1.812 -11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.479 3.539 -13.030 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.315 4.208 -11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.453 2.475 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.075 1.114 -13.539 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.068 2.889 -13.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.447 2.015 -13.742 1.00 0.00 H new ATOM 459 N VAL A 27 2.509 4.201 -8.471 1.00 0.00 N ATOM 460 CA VAL A 27 2.923 5.417 -7.778 1.00 0.00 C ATOM 461 C VAL A 27 3.504 6.438 -8.751 1.00 0.00 C ATOM 462 O VAL A 27 4.532 6.193 -9.382 1.00 0.00 O ATOM 463 CB VAL A 27 3.966 5.123 -6.683 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.097 6.309 -5.740 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.604 3.858 -5.913 1.00 0.00 C ATOM 0 H VAL A 27 3.223 3.474 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 27 2.027 5.827 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 27 4.930 4.959 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.838 6.084 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.412 7.188 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.135 6.507 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.355 3.672 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.629 3.985 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.569 3.012 -6.599 1.00 0.00 H new ATOM 475 N SER A 28 2.840 7.583 -8.864 1.00 0.00 N ATOM 476 CA SER A 28 3.290 8.645 -9.756 1.00 0.00 C ATOM 477 C SER A 28 4.107 9.683 -8.995 1.00 0.00 C ATOM 478 O SER A 28 4.127 9.689 -7.764 1.00 0.00 O ATOM 479 CB SER A 28 2.092 9.316 -10.433 1.00 0.00 C ATOM 480 OG SER A 28 2.510 10.391 -11.258 1.00 0.00 O ATOM 0 H SER A 28 1.987 7.800 -8.348 1.00 0.00 H new ATOM 0 HA SER A 28 3.925 8.198 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.551 8.583 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.400 9.683 -9.675 1.00 0.00 H new ATOM 0 HG SER A 28 1.727 10.802 -11.681 1.00 0.00 H new ATOM 486 N SER A 29 4.781 10.558 -9.733 1.00 0.00 N ATOM 487 CA SER A 29 5.600 11.600 -9.127 1.00 0.00 C ATOM 488 C SER A 29 4.754 12.511 -8.242 1.00 0.00 C ATOM 489 O SER A 29 3.920 13.270 -8.734 1.00 0.00 O ATOM 490 CB SER A 29 6.298 12.424 -10.209 1.00 0.00 C ATOM 491 OG SER A 29 7.458 11.763 -10.685 1.00 0.00 O ATOM 0 H SER A 29 4.776 10.566 -10.753 1.00 0.00 H new ATOM 0 HA SER A 29 6.355 11.118 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.611 12.600 -11.036 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.571 13.400 -9.808 1.00 0.00 H new ATOM 0 HG SER A 29 7.885 12.310 -11.377 1.00 0.00 H new ATOM 497 N LYS A 30 4.979 12.431 -6.933 1.00 0.00 N ATOM 498 CA LYS A 30 4.240 13.249 -5.979 1.00 0.00 C ATOM 499 C LYS A 30 2.752 12.912 -6.004 1.00 0.00 C ATOM 500 O LYS A 30 1.906 13.778 -5.779 1.00 0.00 O ATOM 501 CB LYS A 30 4.443 14.735 -6.281 1.00 0.00 C ATOM 502 CG LYS A 30 5.897 15.116 -6.513 1.00 0.00 C ATOM 503 CD LYS A 30 6.327 16.264 -5.614 1.00 0.00 C ATOM 504 CE LYS A 30 7.739 16.063 -5.087 1.00 0.00 C ATOM 505 NZ LYS A 30 7.760 15.225 -3.857 1.00 0.00 N ATOM 0 H LYS A 30 5.667 11.808 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 30 4.625 13.032 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.861 15.001 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.050 15.323 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.534 14.251 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.037 15.398 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.275 17.201 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.634 16.351 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.350 15.592 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.188 17.033 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.658 15.370 -3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.969 15.496 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.668 14.223 -4.118 1.00 0.00 H new ATOM 519 N LYS A 31 2.441 11.650 -6.280 1.00 0.00 N ATOM 520 CA LYS A 31 1.055 11.201 -6.334 1.00 0.00 C ATOM 521 C LYS A 31 0.974 9.678 -6.383 1.00 0.00 C ATOM 522 O LYS A 31 1.805 9.023 -7.011 1.00 0.00 O ATOM 523 CB LYS A 31 0.352 11.799 -7.554 1.00 0.00 C ATOM 524 CG LYS A 31 -1.129 11.464 -7.630 1.00 0.00 C ATOM 525 CD LYS A 31 -1.987 12.615 -7.132 1.00 0.00 C ATOM 526 CE LYS A 31 -2.261 13.626 -8.235 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.694 14.031 -8.273 1.00 0.00 N ATOM 0 H LYS A 31 3.129 10.921 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 31 0.554 11.543 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.470 12.882 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.844 11.440 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.397 11.228 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.333 10.573 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.931 12.227 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.486 13.110 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.638 14.508 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.979 13.199 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.840 14.721 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.287 13.194 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.957 14.462 -7.364 1.00 0.00 H new ATOM 541 N ILE A 32 -0.034 9.121 -5.721 1.00 0.00 N ATOM 542 CA ILE A 32 -0.229 7.675 -5.693 1.00 0.00 C ATOM 543 C ILE A 32 -1.544 7.293 -6.362 1.00 0.00 C ATOM 544 O ILE A 32 -2.607 7.788 -5.992 1.00 0.00 O ATOM 545 CB ILE A 32 -0.224 7.130 -4.251 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.941 7.727 -3.457 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.142 5.612 -4.260 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.991 7.265 -2.018 1.00 0.00 C ATOM 0 H ILE A 32 -0.730 9.650 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 32 0.603 7.232 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.155 7.423 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.878 7.463 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.866 8.814 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.139 5.242 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.002 5.204 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.775 5.300 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.841 7.728 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.070 7.553 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.098 6.181 -1.987 1.00 0.00 H new ATOM 560 N LEU A 33 -1.464 6.413 -7.355 1.00 0.00 N ATOM 561 CA LEU A 33 -2.649 5.972 -8.079 1.00 0.00 C ATOM 562 C LEU A 33 -2.993 4.523 -7.744 1.00 0.00 C ATOM 563 O LEU A 33 -2.108 3.705 -7.494 1.00 0.00 O ATOM 564 CB LEU A 33 -2.436 6.118 -9.587 1.00 0.00 C ATOM 565 CG LEU A 33 -2.018 7.518 -10.048 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.735 7.453 -10.865 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.132 8.170 -10.855 1.00 0.00 C ATOM 0 H LEU A 33 -0.592 5.992 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.482 6.603 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.674 5.405 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.359 5.844 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.831 8.128 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.455 8.457 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.063 7.029 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.894 6.826 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.817 9.164 -11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.351 7.560 -11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.027 8.254 -10.238 1.00 0.00 H new ATOM 579 N PHE A 34 -4.286 4.217 -7.748 1.00 0.00 N ATOM 580 CA PHE A 34 -4.757 2.869 -7.451 1.00 0.00 C ATOM 581 C PHE A 34 -5.821 2.440 -8.456 1.00 0.00 C ATOM 582 O PHE A 34 -6.850 3.100 -8.605 1.00 0.00 O ATOM 583 CB PHE A 34 -5.325 2.807 -6.031 1.00 0.00 C ATOM 584 CG PHE A 34 -5.504 1.407 -5.515 1.00 0.00 C ATOM 585 CD1 PHE A 34 -6.690 0.722 -5.732 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.488 0.778 -4.815 1.00 0.00 C ATOM 587 CE1 PHE A 34 -6.858 -0.564 -5.257 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.652 -0.509 -4.338 1.00 0.00 C ATOM 589 CZ PHE A 34 -5.839 -1.181 -4.559 1.00 0.00 C ATOM 0 H PHE A 34 -5.028 4.886 -7.954 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.911 2.186 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.661 3.351 -5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.287 3.318 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.491 1.199 -6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.558 1.298 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.787 -1.087 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.853 -0.989 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.969 -2.186 -4.187 1.00 0.00 H new ATOM 599 N TYR A 35 -5.566 1.334 -9.147 1.00 0.00 N ATOM 600 CA TYR A 35 -6.502 0.822 -10.140 1.00 0.00 C ATOM 601 C TYR A 35 -6.857 -0.634 -9.860 1.00 0.00 C ATOM 602 O TYR A 35 -6.375 -1.226 -8.893 1.00 0.00 O ATOM 603 CB TYR A 35 -5.909 0.950 -11.544 1.00 0.00 C ATOM 604 CG TYR A 35 -5.807 2.377 -12.034 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.718 3.171 -11.697 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.799 2.930 -12.833 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.620 4.475 -12.142 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.709 4.234 -13.283 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.617 5.002 -12.936 1.00 0.00 C ATOM 610 OH TYR A 35 -5.525 6.300 -13.381 1.00 0.00 O ATOM 0 H TYR A 35 -4.719 0.776 -9.037 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.413 1.417 -10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.916 0.501 -11.551 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.522 0.379 -12.241 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.935 2.762 -11.076 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.655 2.331 -13.107 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.767 5.079 -11.870 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.490 4.649 -13.903 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.309 6.514 -13.929 1.00 0.00 H new ATOM 620 N ASP A 36 -7.701 -1.204 -10.713 1.00 0.00 N ATOM 621 CA ASP A 36 -8.122 -2.592 -10.559 1.00 0.00 C ATOM 622 C ASP A 36 -7.549 -3.462 -11.675 1.00 0.00 C ATOM 623 O ASP A 36 -7.354 -4.665 -11.499 1.00 0.00 O ATOM 624 CB ASP A 36 -9.649 -2.687 -10.557 1.00 0.00 C ATOM 625 CG ASP A 36 -10.269 -2.059 -11.790 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.112 -2.630 -12.889 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.911 -0.996 -11.655 1.00 0.00 O ATOM 0 H ASP A 36 -8.107 -0.727 -11.518 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.741 -2.957 -9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.945 -3.734 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.040 -2.195 -9.666 1.00 0.00 H new ATOM 632 N SER A 37 -7.282 -2.848 -12.825 1.00 0.00 N ATOM 633 CA SER A 37 -6.731 -3.569 -13.967 1.00 0.00 C ATOM 634 C SER A 37 -6.083 -2.607 -14.955 1.00 0.00 C ATOM 635 O SER A 37 -6.255 -1.391 -14.859 1.00 0.00 O ATOM 636 CB SER A 37 -7.830 -4.373 -14.665 1.00 0.00 C ATOM 637 OG SER A 37 -8.290 -5.431 -13.841 1.00 0.00 O ATOM 0 H SER A 37 -7.438 -1.854 -12.990 1.00 0.00 H new ATOM 0 HA SER A 37 -5.966 -4.254 -13.600 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.662 -3.715 -14.916 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.449 -4.778 -15.603 1.00 0.00 H new ATOM 0 HG SER A 37 -7.772 -5.447 -13.009 1.00 0.00 H new ATOM 643 N GLU A 38 -5.336 -3.157 -15.906 1.00 0.00 N ATOM 644 CA GLU A 38 -4.660 -2.348 -16.915 1.00 0.00 C ATOM 645 C GLU A 38 -5.671 -1.658 -17.824 1.00 0.00 C ATOM 646 O GLU A 38 -5.490 -0.502 -18.207 1.00 0.00 O ATOM 647 CB GLU A 38 -3.715 -3.216 -17.746 1.00 0.00 C ATOM 648 CG GLU A 38 -2.618 -2.428 -18.441 1.00 0.00 C ATOM 649 CD GLU A 38 -1.363 -3.249 -18.666 1.00 0.00 C ATOM 650 OE1 GLU A 38 -0.925 -3.936 -17.719 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.820 -3.206 -19.791 1.00 0.00 O ATOM 0 H GLU A 38 -5.183 -4.161 -16.000 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.079 -1.582 -16.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.258 -3.964 -17.098 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.295 -3.754 -18.496 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.988 -2.066 -19.400 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.371 -1.551 -17.843 1.00 0.00 H new ATOM 658 N GLN A 39 -6.737 -2.376 -18.169 1.00 0.00 N ATOM 659 CA GLN A 39 -7.776 -1.832 -19.034 1.00 0.00 C ATOM 660 C GLN A 39 -8.392 -0.577 -18.422 1.00 0.00 C ATOM 661 O GLN A 39 -8.544 0.443 -19.096 1.00 0.00 O ATOM 662 CB GLN A 39 -8.864 -2.880 -19.280 1.00 0.00 C ATOM 663 CG GLN A 39 -8.395 -4.060 -20.113 1.00 0.00 C ATOM 664 CD GLN A 39 -8.979 -5.377 -19.641 1.00 0.00 C ATOM 665 OE1 GLN A 39 -9.535 -6.141 -20.429 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.854 -5.649 -18.347 1.00 0.00 N ATOM 0 H GLN A 39 -6.902 -3.335 -17.862 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.318 -1.563 -19.986 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.228 -3.246 -18.320 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.708 -2.405 -19.781 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.671 -3.897 -21.155 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.307 -4.116 -20.077 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.385 -4.986 -17.730 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.227 -6.521 -17.971 1.00 0.00 H new ATOM 675 N ASP A 40 -8.741 -0.660 -17.143 1.00 0.00 N ATOM 676 CA ASP A 40 -9.339 0.470 -16.442 1.00 0.00 C ATOM 677 C ASP A 40 -8.360 1.638 -16.361 1.00 0.00 C ATOM 678 O ASP A 40 -8.764 2.801 -16.351 1.00 0.00 O ATOM 679 CB ASP A 40 -9.770 0.052 -15.034 1.00 0.00 C ATOM 680 CG ASP A 40 -11.255 -0.244 -14.950 1.00 0.00 C ATOM 681 OD1 ASP A 40 -12.031 0.395 -15.692 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.641 -1.115 -14.143 1.00 0.00 O ATOM 0 H ASP A 40 -8.620 -1.496 -16.572 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.216 0.792 -17.003 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.208 -0.832 -14.732 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.520 0.845 -14.329 1.00 0.00 H new ATOM 687 N LYS A 41 -7.071 1.319 -16.306 1.00 0.00 N ATOM 688 CA LYS A 41 -6.033 2.340 -16.228 1.00 0.00 C ATOM 689 C LYS A 41 -6.022 3.200 -17.489 1.00 0.00 C ATOM 690 O LYS A 41 -5.972 4.427 -17.415 1.00 0.00 O ATOM 691 CB LYS A 41 -4.663 1.690 -16.025 1.00 0.00 C ATOM 692 CG LYS A 41 -3.800 2.398 -14.991 1.00 0.00 C ATOM 693 CD LYS A 41 -3.409 3.793 -15.450 1.00 0.00 C ATOM 694 CE LYS A 41 -1.993 3.823 -16.002 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.739 5.044 -16.814 1.00 0.00 N ATOM 0 H LYS A 41 -6.720 0.361 -16.314 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.251 2.982 -15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.804 0.653 -15.720 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.134 1.673 -16.978 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.342 2.463 -14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.901 1.811 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.106 4.134 -16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.489 4.488 -14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.281 3.781 -15.178 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.824 2.938 -16.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.763 5.026 -17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.401 5.072 -17.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.875 5.889 -16.223 1.00 0.00 H new ATOM 709 N GLU A 42 -6.071 2.547 -18.645 1.00 0.00 N ATOM 710 CA GLU A 42 -6.067 3.252 -19.922 1.00 0.00 C ATOM 711 C GLU A 42 -7.254 4.206 -20.023 1.00 0.00 C ATOM 712 O GLU A 42 -7.188 5.224 -20.710 1.00 0.00 O ATOM 713 CB GLU A 42 -6.101 2.254 -21.081 1.00 0.00 C ATOM 714 CG GLU A 42 -4.901 1.323 -21.117 1.00 0.00 C ATOM 715 CD GLU A 42 -4.283 1.217 -22.498 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.312 2.222 -23.238 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.773 0.130 -22.838 1.00 0.00 O ATOM 0 H GLU A 42 -6.114 1.531 -18.724 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.149 3.836 -19.981 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.011 1.658 -21.010 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.153 2.803 -22.021 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.149 1.679 -20.413 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.206 0.331 -20.783 1.00 0.00 H new ATOM 724 N GLN A 43 -8.339 3.869 -19.332 1.00 0.00 N ATOM 725 CA GLN A 43 -9.541 4.697 -19.343 1.00 0.00 C ATOM 726 C GLN A 43 -9.402 5.895 -18.403 1.00 0.00 C ATOM 727 O GLN A 43 -10.301 6.731 -18.318 1.00 0.00 O ATOM 728 CB GLN A 43 -10.761 3.863 -18.949 1.00 0.00 C ATOM 729 CG GLN A 43 -11.501 3.270 -20.136 1.00 0.00 C ATOM 730 CD GLN A 43 -12.748 4.055 -20.495 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.823 3.484 -20.677 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.609 5.372 -20.600 1.00 0.00 N ATOM 0 H GLN A 43 -8.411 3.029 -18.758 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.675 5.076 -20.356 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.441 3.055 -18.290 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.448 4.487 -18.378 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.834 3.240 -20.998 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.777 2.240 -19.910 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.698 5.803 -20.440 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.413 5.952 -20.840 1.00 0.00 H new ATOM 741 N SER A 44 -8.274 5.976 -17.698 1.00 0.00 N ATOM 742 CA SER A 44 -8.030 7.073 -16.770 1.00 0.00 C ATOM 743 C SER A 44 -9.035 7.051 -15.622 1.00 0.00 C ATOM 744 O SER A 44 -9.434 8.099 -15.111 1.00 0.00 O ATOM 745 CB SER A 44 -8.102 8.417 -17.501 1.00 0.00 C ATOM 746 OG SER A 44 -7.429 8.356 -18.745 1.00 0.00 O ATOM 0 H SER A 44 -7.517 5.294 -17.754 1.00 0.00 H new ATOM 0 HA SER A 44 -7.030 6.947 -16.356 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.144 8.692 -17.661 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.658 9.196 -16.881 1.00 0.00 H new ATOM 0 HG SER A 44 -7.491 9.225 -19.193 1.00 0.00 H new ATOM 752 N ASN A 45 -9.441 5.851 -15.221 1.00 0.00 N ATOM 753 CA ASN A 45 -10.399 5.691 -14.133 1.00 0.00 C ATOM 754 C ASN A 45 -9.714 5.146 -12.881 1.00 0.00 C ATOM 755 O ASN A 45 -9.774 3.948 -12.603 1.00 0.00 O ATOM 756 CB ASN A 45 -11.537 4.759 -14.559 1.00 0.00 C ATOM 757 CG ASN A 45 -12.895 5.269 -14.122 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.669 4.548 -13.493 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.193 6.520 -14.455 1.00 0.00 N ATOM 0 H ASN A 45 -9.121 4.975 -15.633 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.814 6.671 -13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.525 4.648 -15.643 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.370 3.769 -14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.094 6.918 -14.189 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.521 7.083 -14.977 1.00 0.00 H new ATOM 766 N PRO A 46 -9.051 6.023 -12.107 1.00 0.00 N ATOM 767 CA PRO A 46 -8.352 5.622 -10.882 1.00 0.00 C ATOM 768 C PRO A 46 -9.315 5.244 -9.761 1.00 0.00 C ATOM 769 O PRO A 46 -10.091 6.074 -9.290 1.00 0.00 O ATOM 770 CB PRO A 46 -7.555 6.872 -10.503 1.00 0.00 C ATOM 771 CG PRO A 46 -8.320 8.003 -11.100 1.00 0.00 C ATOM 772 CD PRO A 46 -8.928 7.470 -12.368 1.00 0.00 C ATOM 0 HA PRO A 46 -7.735 4.737 -11.037 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.473 6.977 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.540 6.829 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.092 8.356 -10.416 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.666 8.850 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.897 7.925 -12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.295 7.670 -13.232 1.00 0.00 H new ATOM 780 N TYR A 47 -9.256 3.985 -9.339 1.00 0.00 N ATOM 781 CA TYR A 47 -10.118 3.494 -8.273 1.00 0.00 C ATOM 782 C TYR A 47 -9.892 4.279 -6.985 1.00 0.00 C ATOM 783 O TYR A 47 -10.806 4.446 -6.178 1.00 0.00 O ATOM 784 CB TYR A 47 -9.863 2.006 -8.028 1.00 0.00 C ATOM 785 CG TYR A 47 -10.727 1.411 -6.939 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.016 0.972 -7.213 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.255 1.289 -5.639 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.811 0.428 -6.221 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.042 0.746 -4.641 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.319 0.316 -4.938 1.00 0.00 C ATOM 791 OH TYR A 47 -13.107 -0.226 -3.948 1.00 0.00 O ATOM 0 H TYR A 47 -8.619 3.286 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.153 3.632 -8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.036 1.460 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.815 1.865 -7.765 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.404 1.057 -8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.256 1.624 -5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.812 0.093 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.660 0.659 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.611 -0.234 -3.103 1.00 0.00 H new ATOM 801 N MET A 48 -8.666 4.760 -6.799 1.00 0.00 N ATOM 802 CA MET A 48 -8.318 5.526 -5.608 1.00 0.00 C ATOM 803 C MET A 48 -6.943 6.168 -5.757 1.00 0.00 C ATOM 804 O MET A 48 -5.980 5.509 -6.150 1.00 0.00 O ATOM 805 CB MET A 48 -8.343 4.624 -4.373 1.00 0.00 C ATOM 806 CG MET A 48 -8.155 5.376 -3.065 1.00 0.00 C ATOM 807 SD MET A 48 -7.356 4.375 -1.797 1.00 0.00 S ATOM 808 CE MET A 48 -5.849 3.896 -2.641 1.00 0.00 C ATOM 0 H MET A 48 -7.898 4.633 -7.458 1.00 0.00 H new ATOM 0 HA MET A 48 -9.056 6.318 -5.486 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.293 4.091 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.559 3.873 -4.466 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.558 6.270 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.126 5.710 -2.700 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.115 3.555 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.065 3.089 -3.342 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.449 4.752 -3.185 1.00 0.00 H new ATOM 818 N VAL A 49 -6.857 7.455 -5.440 1.00 0.00 N ATOM 819 CA VAL A 49 -5.599 8.184 -5.538 1.00 0.00 C ATOM 820 C VAL A 49 -5.247 8.853 -4.213 1.00 0.00 C ATOM 821 O VAL A 49 -6.107 9.433 -3.550 1.00 0.00 O ATOM 822 CB VAL A 49 -5.651 9.252 -6.650 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.711 10.299 -6.341 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.288 9.903 -6.834 1.00 0.00 C ATOM 0 H VAL A 49 -7.644 8.015 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.828 7.454 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.922 8.759 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.731 11.043 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.687 9.819 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.476 10.787 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.347 10.653 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.984 10.379 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.556 9.143 -7.109 1.00 0.00 H new ATOM 834 N LEU A 50 -3.976 8.768 -3.832 1.00 0.00 N ATOM 835 CA LEU A 50 -3.510 9.366 -2.586 1.00 0.00 C ATOM 836 C LEU A 50 -2.404 10.382 -2.849 1.00 0.00 C ATOM 837 O LEU A 50 -1.710 10.310 -3.864 1.00 0.00 O ATOM 838 CB LEU A 50 -3.002 8.281 -1.634 1.00 0.00 C ATOM 839 CG LEU A 50 -4.065 7.288 -1.157 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.577 5.857 -1.325 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.436 7.557 0.295 1.00 0.00 C ATOM 0 H LEU A 50 -3.251 8.291 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.352 9.882 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.206 7.727 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.559 8.762 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.956 7.421 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.347 5.167 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.364 5.666 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.670 5.711 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.193 6.841 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.550 7.454 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.831 8.569 0.388 1.00 0.00 H new ATOM 853 N ASP A 51 -2.243 11.325 -1.927 1.00 0.00 N ATOM 854 CA ASP A 51 -1.219 12.355 -2.058 1.00 0.00 C ATOM 855 C ASP A 51 0.034 11.974 -1.278 1.00 0.00 C ATOM 856 O ASP A 51 0.008 11.876 -0.051 1.00 0.00 O ATOM 857 CB ASP A 51 -1.753 13.701 -1.564 1.00 0.00 C ATOM 858 CG ASP A 51 -2.734 14.328 -2.535 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.705 13.643 -2.921 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.532 15.502 -2.909 1.00 0.00 O ATOM 0 H ASP A 51 -2.808 11.397 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.958 12.442 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.240 13.563 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.918 14.383 -1.405 1.00 0.00 H new ATOM 865 N ILE A 52 1.132 11.761 -1.998 1.00 0.00 N ATOM 866 CA ILE A 52 2.398 11.391 -1.375 1.00 0.00 C ATOM 867 C ILE A 52 2.798 12.396 -0.300 1.00 0.00 C ATOM 868 O ILE A 52 3.331 12.024 0.745 1.00 0.00 O ATOM 869 CB ILE A 52 3.524 11.288 -2.422 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.115 10.326 -3.540 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.823 10.832 -1.768 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.247 9.964 -4.478 1.00 0.00 C ATOM 0 H ILE A 52 1.170 11.839 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 52 2.254 10.415 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 52 3.691 12.274 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.718 9.414 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.307 10.776 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.606 10.765 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.117 11.550 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.676 9.854 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.881 9.280 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.629 10.868 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.047 9.484 -3.915 1.00 0.00 H new ATOM 884 N ASP A 53 2.534 13.671 -0.563 1.00 0.00 N ATOM 885 CA ASP A 53 2.866 14.730 0.382 1.00 0.00 C ATOM 886 C ASP A 53 1.987 14.641 1.628 1.00 0.00 C ATOM 887 O ASP A 53 2.393 15.049 2.716 1.00 0.00 O ATOM 888 CB ASP A 53 2.703 16.099 -0.283 1.00 0.00 C ATOM 889 CG ASP A 53 2.995 17.246 0.664 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.737 17.031 1.646 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.482 18.359 0.424 1.00 0.00 O ATOM 0 H ASP A 53 2.091 13.996 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 53 3.905 14.605 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.371 16.163 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.686 16.196 -0.662 1.00 0.00 H new ATOM 896 N LYS A 54 0.781 14.104 1.461 1.00 0.00 N ATOM 897 CA LYS A 54 -0.152 13.962 2.573 1.00 0.00 C ATOM 898 C LYS A 54 0.273 12.833 3.508 1.00 0.00 C ATOM 899 O LYS A 54 -0.141 12.788 4.667 1.00 0.00 O ATOM 900 CB LYS A 54 -1.566 13.697 2.049 1.00 0.00 C ATOM 901 CG LYS A 54 -2.315 14.959 1.654 1.00 0.00 C ATOM 902 CD LYS A 54 -3.815 14.722 1.601 1.00 0.00 C ATOM 903 CE LYS A 54 -4.589 15.945 2.066 1.00 0.00 C ATOM 904 NZ LYS A 54 -6.040 15.838 1.747 1.00 0.00 N ATOM 0 H LYS A 54 0.428 13.761 0.568 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.146 14.895 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.506 13.035 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.136 13.171 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.096 15.752 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.965 15.302 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.109 14.470 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.072 13.868 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.462 16.068 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.178 16.837 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.533 16.691 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.163 15.746 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.439 15.002 2.219 1.00 0.00 H new ATOM 918 N LEU A 55 1.101 11.921 3.002 1.00 0.00 N ATOM 919 CA LEU A 55 1.578 10.794 3.799 1.00 0.00 C ATOM 920 C LEU A 55 2.178 11.268 5.117 1.00 0.00 C ATOM 921 O LEU A 55 2.641 12.404 5.229 1.00 0.00 O ATOM 922 CB LEU A 55 2.619 9.989 3.019 1.00 0.00 C ATOM 923 CG LEU A 55 2.137 9.417 1.682 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.187 8.488 1.094 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.815 8.686 1.859 1.00 0.00 C ATOM 0 H LEU A 55 1.455 11.941 2.045 1.00 0.00 H new ATOM 0 HA LEU A 55 0.721 10.156 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.482 10.627 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.961 9.165 3.646 1.00 0.00 H new ATOM 0 HG LEU A 55 1.980 10.244 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.830 8.090 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.112 9.041 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.373 7.666 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.489 8.287 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.944 7.868 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.064 9.379 2.238 1.00 0.00 H new ATOM 937 N PHE A 56 2.169 10.390 6.113 1.00 0.00 N ATOM 938 CA PHE A 56 2.714 10.715 7.425 1.00 0.00 C ATOM 939 C PHE A 56 3.936 9.856 7.730 1.00 0.00 C ATOM 940 O PHE A 56 4.908 10.327 8.320 1.00 0.00 O ATOM 941 CB PHE A 56 1.652 10.515 8.506 1.00 0.00 C ATOM 942 CG PHE A 56 0.852 11.752 8.796 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.470 12.895 9.276 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.518 11.772 8.590 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.736 14.036 9.545 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.257 12.909 8.856 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.629 14.042 9.334 1.00 0.00 C ATOM 0 H PHE A 56 1.790 9.446 6.037 1.00 0.00 H new ATOM 0 HA PHE A 56 3.019 11.761 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.975 9.719 8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.137 10.182 9.424 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.537 12.895 9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.014 10.888 8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.229 14.921 9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.324 12.911 8.690 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.204 14.932 9.543 1.00 0.00 H new ATOM 957 N HIS A 57 3.880 8.591 7.323 1.00 0.00 N ATOM 958 CA HIS A 57 4.984 7.665 7.551 1.00 0.00 C ATOM 959 C HIS A 57 4.677 6.291 6.967 1.00 0.00 C ATOM 960 O HIS A 57 3.593 5.745 7.172 1.00 0.00 O ATOM 961 CB HIS A 57 5.274 7.543 9.049 1.00 0.00 C ATOM 962 CG HIS A 57 6.733 7.498 9.375 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.257 6.709 10.378 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.785 8.149 8.824 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.566 6.879 10.431 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.911 7.746 9.498 1.00 0.00 N ATOM 0 H HIS A 57 3.082 8.184 6.834 1.00 0.00 H new ATOM 0 HA HIS A 57 5.865 8.062 7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.820 8.387 9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.797 6.640 9.431 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.745 8.854 8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.239 6.391 11.121 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.861 8.065 9.308 1.00 0.00 H new ATOM 975 N VAL A 58 5.642 5.736 6.241 1.00 0.00 N ATOM 976 CA VAL A 58 5.481 4.423 5.629 1.00 0.00 C ATOM 977 C VAL A 58 6.492 3.432 6.195 1.00 0.00 C ATOM 978 O VAL A 58 7.695 3.689 6.191 1.00 0.00 O ATOM 979 CB VAL A 58 5.649 4.490 4.099 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.205 3.185 3.456 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.876 5.668 3.522 1.00 0.00 C ATOM 0 H VAL A 58 6.545 6.176 6.062 1.00 0.00 H new ATOM 0 HA VAL A 58 4.471 4.086 5.860 1.00 0.00 H new ATOM 0 HB VAL A 58 6.706 4.639 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.331 3.251 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.810 2.365 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.156 3.003 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.009 5.696 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.817 5.557 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.248 6.596 3.957 1.00 0.00 H new ATOM 991 N ARG A 59 5.998 2.299 6.686 1.00 0.00 N ATOM 992 CA ARG A 59 6.867 1.277 7.258 1.00 0.00 C ATOM 993 C ARG A 59 6.188 -0.091 7.251 1.00 0.00 C ATOM 994 O ARG A 59 4.961 -0.184 7.224 1.00 0.00 O ATOM 995 CB ARG A 59 7.259 1.657 8.688 1.00 0.00 C ATOM 996 CG ARG A 59 8.190 2.857 8.764 1.00 0.00 C ATOM 997 CD ARG A 59 8.900 2.930 10.106 1.00 0.00 C ATOM 998 NE ARG A 59 10.315 3.259 9.959 1.00 0.00 N ATOM 999 CZ ARG A 59 11.207 2.455 9.384 1.00 0.00 C ATOM 1000 NH1 ARG A 59 10.833 1.276 8.901 1.00 0.00 N ATOM 1001 NH2 ARG A 59 12.475 2.831 9.290 1.00 0.00 N ATOM 0 H ARG A 59 5.005 2.067 6.699 1.00 0.00 H new ATOM 0 HA ARG A 59 7.765 1.216 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.356 1.872 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.741 0.803 9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.928 2.797 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.619 3.772 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.416 3.680 10.732 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.802 1.974 10.621 1.00 0.00 H new ATOM 0 HE ARG A 59 10.639 4.157 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.858 0.983 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.520 0.664 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.767 3.736 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.158 2.215 8.850 1.00 0.00 H new ATOM 1015 N PRO A 60 6.984 -1.175 7.276 1.00 0.00 N ATOM 1016 CA PRO A 60 6.457 -2.544 7.273 1.00 0.00 C ATOM 1017 C PRO A 60 5.629 -2.848 8.515 1.00 0.00 C ATOM 1018 O PRO A 60 5.816 -2.234 9.564 1.00 0.00 O ATOM 1019 CB PRO A 60 7.715 -3.419 7.242 1.00 0.00 C ATOM 1020 CG PRO A 60 8.805 -2.543 7.755 1.00 0.00 C ATOM 1021 CD PRO A 60 8.457 -1.153 7.308 1.00 0.00 C ATOM 0 HA PRO A 60 5.785 -2.716 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.595 -4.306 7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.930 -3.766 6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.873 -2.599 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.773 -2.850 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.835 -0.400 8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.879 -0.926 6.329 1.00 0.00 H new ATOM 1029 N VAL A 61 4.711 -3.801 8.388 1.00 0.00 N ATOM 1030 CA VAL A 61 3.852 -4.187 9.502 1.00 0.00 C ATOM 1031 C VAL A 61 4.386 -5.436 10.199 1.00 0.00 C ATOM 1032 O VAL A 61 5.208 -6.165 9.644 1.00 0.00 O ATOM 1033 CB VAL A 61 2.405 -4.446 9.037 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.825 -3.202 8.382 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.346 -5.633 8.087 1.00 0.00 C ATOM 0 H VAL A 61 4.543 -4.320 7.526 1.00 0.00 H new ATOM 0 HA VAL A 61 3.852 -3.354 10.205 1.00 0.00 H new ATOM 0 HB VAL A 61 1.802 -4.685 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.803 -3.403 8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.825 -2.380 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.431 -2.930 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.315 -5.796 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.964 -5.430 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.716 -6.524 8.594 1.00 0.00 H new ATOM 1045 N THR A 62 3.912 -5.675 11.417 1.00 0.00 N ATOM 1046 CA THR A 62 4.340 -6.836 12.189 1.00 0.00 C ATOM 1047 C THR A 62 3.210 -7.854 12.312 1.00 0.00 C ATOM 1048 O THR A 62 2.119 -7.651 11.780 1.00 0.00 O ATOM 1049 CB THR A 62 4.810 -6.406 13.580 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.719 -5.934 14.352 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.856 -5.313 13.545 1.00 0.00 C ATOM 0 H THR A 62 3.232 -5.081 11.891 1.00 0.00 H new ATOM 0 HA THR A 62 5.171 -7.305 11.662 1.00 0.00 H new ATOM 0 HB THR A 62 5.254 -7.296 14.026 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.038 -5.665 15.239 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.146 -5.054 14.563 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.730 -5.663 12.996 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.446 -4.433 13.050 1.00 0.00 H new ATOM 1059 N GLN A 63 3.478 -8.947 13.020 1.00 0.00 N ATOM 1060 CA GLN A 63 2.482 -9.994 13.213 1.00 0.00 C ATOM 1061 C GLN A 63 1.279 -9.477 13.998 1.00 0.00 C ATOM 1062 O GLN A 63 0.214 -10.092 13.989 1.00 0.00 O ATOM 1063 CB GLN A 63 3.102 -11.189 13.941 1.00 0.00 C ATOM 1064 CG GLN A 63 2.216 -12.424 13.944 1.00 0.00 C ATOM 1065 CD GLN A 63 2.502 -13.350 12.777 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.657 -13.618 12.451 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.444 -13.843 12.142 1.00 0.00 N ATOM 0 H GLN A 63 4.375 -9.130 13.469 1.00 0.00 H new ATOM 0 HA GLN A 63 2.137 -10.311 12.229 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.054 -11.436 13.472 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.318 -10.904 14.971 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.360 -12.967 14.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.171 -12.117 13.912 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.504 -13.593 12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.572 -14.471 11.349 1.00 0.00 H new ATOM 1076 N THR A 64 1.451 -8.346 14.675 1.00 0.00 N ATOM 1077 CA THR A 64 0.375 -7.755 15.462 1.00 0.00 C ATOM 1078 C THR A 64 -0.646 -7.063 14.563 1.00 0.00 C ATOM 1079 O THR A 64 -1.820 -6.949 14.913 1.00 0.00 O ATOM 1080 CB THR A 64 0.942 -6.755 16.471 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.489 -5.630 15.807 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.025 -7.341 17.350 1.00 0.00 C ATOM 0 H THR A 64 2.325 -7.821 14.694 1.00 0.00 H new ATOM 0 HA THR A 64 -0.128 -8.559 15.999 1.00 0.00 H new ATOM 0 HB THR A 64 0.100 -6.471 17.102 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.165 -5.927 15.162 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.384 -6.579 18.042 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.621 -8.182 17.913 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.852 -7.684 16.728 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.189 -6.600 13.402 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.063 -5.916 12.454 1.00 0.00 C ATOM 1092 C ASP A 65 -2.119 -6.865 11.892 1.00 0.00 C ATOM 1093 O ASP A 65 -3.189 -6.435 11.468 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.240 -5.316 11.314 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.759 -3.960 10.879 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.141 -3.159 11.759 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.784 -3.696 9.658 1.00 0.00 O ATOM 0 H ASP A 65 0.780 -6.686 13.096 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.575 -5.115 12.987 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.799 -5.220 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.252 -5.997 10.463 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.807 -8.157 11.888 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.727 -9.163 11.374 1.00 0.00 C ATOM 1104 C VAL A 66 -2.787 -10.374 12.297 1.00 0.00 C ATOM 1105 O VAL A 66 -2.126 -10.413 13.333 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.321 -9.626 9.962 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.776 -8.619 8.917 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.817 -9.844 9.881 1.00 0.00 C ATOM 0 H VAL A 66 -0.924 -8.531 12.235 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.711 -8.697 11.326 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.814 -10.576 9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.480 -8.964 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.861 -8.518 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.314 -7.652 9.118 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.550 -10.171 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.301 -8.911 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.521 -10.607 10.601 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.583 -11.363 11.911 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.729 -12.581 12.699 1.00 0.00 C ATOM 1120 C TYR A 67 -3.949 -13.786 11.791 1.00 0.00 C ATOM 1121 O TYR A 67 -3.308 -14.825 11.955 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.894 -12.445 13.684 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.230 -12.200 13.018 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.630 -10.916 12.673 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.090 -13.254 12.737 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.852 -10.687 12.067 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.313 -13.034 12.131 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.689 -11.749 11.799 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.905 -11.526 11.196 1.00 0.00 O ATOM 0 H TYR A 67 -4.138 -11.346 11.056 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.809 -12.734 13.263 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.958 -13.353 14.284 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.684 -11.624 14.370 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.976 -10.082 12.881 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.799 -14.261 12.996 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.149 -9.682 11.805 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.971 -13.864 11.919 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.372 -12.379 11.077 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.853 -13.637 10.828 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.150 -14.710 9.887 1.00 0.00 C ATOM 1141 C ARG A 68 -4.016 -14.877 8.879 1.00 0.00 C ATOM 1142 O ARG A 68 -3.828 -15.953 8.312 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.462 -14.425 9.154 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.498 -13.062 8.479 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.609 -12.189 9.041 1.00 0.00 C ATOM 1146 NE ARG A 68 -8.219 -11.348 8.013 1.00 0.00 N ATOM 1147 CZ ARG A 68 -7.706 -10.191 7.602 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.572 -9.735 8.122 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -8.327 -9.486 6.666 1.00 0.00 N ATOM 0 H ARG A 68 -5.392 -12.784 10.679 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.251 -15.637 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.624 -15.198 8.403 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.287 -14.492 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.538 -12.563 8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.642 -13.190 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.373 -12.821 9.492 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.208 -11.558 9.834 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.089 -11.667 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.088 -10.273 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.185 -8.847 7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.198 -9.831 6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.934 -8.599 6.351 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.261 -13.802 8.662 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.144 -13.825 7.725 1.00 0.00 C ATOM 1165 C ALA A 69 -1.145 -14.920 8.085 1.00 0.00 C ATOM 1166 O ALA A 69 -1.424 -15.775 8.926 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.456 -12.468 7.698 1.00 0.00 C ATOM 0 H ALA A 69 -3.404 -12.904 9.124 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.537 -14.044 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.623 -12.496 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.169 -11.705 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.082 -12.230 8.694 1.00 0.00 H new ATOM 1173 N ASP A 70 0.017 -14.890 7.441 1.00 0.00 N ATOM 1174 CA ASP A 70 1.057 -15.881 7.694 1.00 0.00 C ATOM 1175 C ASP A 70 2.372 -15.205 8.068 1.00 0.00 C ATOM 1176 O ASP A 70 2.721 -14.160 7.519 1.00 0.00 O ATOM 1177 CB ASP A 70 1.257 -16.767 6.463 1.00 0.00 C ATOM 1178 CG ASP A 70 1.801 -18.137 6.819 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.862 -18.202 7.477 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.169 -19.144 6.441 1.00 0.00 O ATOM 0 H ASP A 70 0.262 -14.191 6.740 1.00 0.00 H new ATOM 0 HA ASP A 70 0.737 -16.502 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.306 -16.881 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.942 -16.275 5.772 1.00 0.00 H new ATOM 1185 N ALA A 71 3.096 -15.809 9.007 1.00 0.00 N ATOM 1186 CA ALA A 71 4.374 -15.266 9.459 1.00 0.00 C ATOM 1187 C ALA A 71 5.281 -14.915 8.283 1.00 0.00 C ATOM 1188 O ALA A 71 6.124 -14.023 8.381 1.00 0.00 O ATOM 1189 CB ALA A 71 5.068 -16.258 10.381 1.00 0.00 C ATOM 0 H ALA A 71 2.819 -16.675 9.470 1.00 0.00 H new ATOM 0 HA ALA A 71 4.171 -14.347 10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.020 -15.843 10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.436 -16.453 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.246 -17.190 9.845 1.00 0.00 H new ATOM 1195 N LYS A 72 5.099 -15.619 7.170 1.00 0.00 N ATOM 1196 CA LYS A 72 5.899 -15.378 5.975 1.00 0.00 C ATOM 1197 C LYS A 72 5.392 -14.159 5.214 1.00 0.00 C ATOM 1198 O LYS A 72 6.160 -13.469 4.544 1.00 0.00 O ATOM 1199 CB LYS A 72 5.877 -16.608 5.066 1.00 0.00 C ATOM 1200 CG LYS A 72 6.848 -17.697 5.491 1.00 0.00 C ATOM 1201 CD LYS A 72 6.222 -19.079 5.383 1.00 0.00 C ATOM 1202 CE LYS A 72 6.751 -20.015 6.456 1.00 0.00 C ATOM 1203 NZ LYS A 72 5.902 -19.995 7.679 1.00 0.00 N ATOM 0 H LYS A 72 4.405 -16.360 7.071 1.00 0.00 H new ATOM 0 HA LYS A 72 6.925 -15.184 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.868 -17.019 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.112 -16.301 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.741 -17.652 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.167 -17.521 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.139 -18.997 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.430 -19.498 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.796 -21.030 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.770 -19.729 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.297 -20.647 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.879 -19.032 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.936 -20.293 7.436 1.00 0.00 H new ATOM 1217 N GLU A 73 4.092 -13.899 5.319 1.00 0.00 N ATOM 1218 CA GLU A 73 3.481 -12.763 4.639 1.00 0.00 C ATOM 1219 C GLU A 73 3.729 -11.465 5.401 1.00 0.00 C ATOM 1220 O GLU A 73 3.857 -10.398 4.801 1.00 0.00 O ATOM 1221 CB GLU A 73 1.976 -12.990 4.475 1.00 0.00 C ATOM 1222 CG GLU A 73 1.630 -14.302 3.791 1.00 0.00 C ATOM 1223 CD GLU A 73 1.880 -14.265 2.296 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.324 -13.372 1.624 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.632 -15.129 1.799 1.00 0.00 O ATOM 0 H GLU A 73 3.442 -14.460 5.869 1.00 0.00 H new ATOM 0 HA GLU A 73 3.941 -12.675 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.504 -12.967 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.553 -12.167 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.219 -15.105 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.582 -14.537 3.974 1.00 0.00 H new ATOM 1232 N ILE A 74 3.792 -11.562 6.727 1.00 0.00 N ATOM 1233 CA ILE A 74 4.020 -10.392 7.572 1.00 0.00 C ATOM 1234 C ILE A 74 5.162 -9.521 7.045 1.00 0.00 C ATOM 1235 O ILE A 74 4.988 -8.317 6.849 1.00 0.00 O ATOM 1236 CB ILE A 74 4.322 -10.796 9.032 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.253 -11.759 9.558 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.406 -9.561 9.918 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.836 -11.267 9.350 1.00 0.00 C ATOM 0 H ILE A 74 3.688 -12.438 7.239 1.00 0.00 H new ATOM 0 HA ILE A 74 3.097 -9.813 7.546 1.00 0.00 H new ATOM 0 HB ILE A 74 5.285 -11.306 9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.370 -12.723 9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.418 -11.925 10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.619 -9.863 10.943 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.202 -8.909 9.559 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.457 -9.026 9.887 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.134 -12.000 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.701 -10.318 9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.652 -11.128 8.285 1.00 0.00 H new ATOM 1251 N PRO A 75 6.351 -10.108 6.805 1.00 0.00 N ATOM 1252 CA PRO A 75 7.507 -9.358 6.300 1.00 0.00 C ATOM 1253 C PRO A 75 7.290 -8.823 4.886 1.00 0.00 C ATOM 1254 O PRO A 75 8.058 -7.989 4.406 1.00 0.00 O ATOM 1255 CB PRO A 75 8.641 -10.388 6.311 1.00 0.00 C ATOM 1256 CG PRO A 75 7.956 -11.709 6.255 1.00 0.00 C ATOM 1257 CD PRO A 75 6.667 -11.535 7.005 1.00 0.00 C ATOM 0 HA PRO A 75 7.708 -8.476 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.307 -10.252 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.250 -10.296 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.771 -12.010 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.570 -12.487 6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.882 -12.180 6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.780 -11.778 8.061 1.00 0.00 H new ATOM 1265 N ARG A 76 6.245 -9.306 4.220 1.00 0.00 N ATOM 1266 CA ARG A 76 5.940 -8.870 2.860 1.00 0.00 C ATOM 1267 C ARG A 76 4.798 -7.852 2.839 1.00 0.00 C ATOM 1268 O ARG A 76 4.355 -7.434 1.769 1.00 0.00 O ATOM 1269 CB ARG A 76 5.579 -10.073 1.987 1.00 0.00 C ATOM 1270 CG ARG A 76 6.497 -11.268 2.183 1.00 0.00 C ATOM 1271 CD ARG A 76 6.648 -12.073 0.903 1.00 0.00 C ATOM 1272 NE ARG A 76 6.346 -13.488 1.107 1.00 0.00 N ATOM 1273 CZ ARG A 76 7.169 -14.340 1.715 1.00 0.00 C ATOM 1274 NH1 ARG A 76 8.341 -13.926 2.181 1.00 0.00 N ATOM 1275 NH2 ARG A 76 6.819 -15.611 1.858 1.00 0.00 N ATOM 0 H ARG A 76 5.597 -9.997 4.598 1.00 0.00 H new ATOM 0 HA ARG A 76 6.831 -8.386 2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.554 -10.374 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.607 -9.772 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.477 -10.924 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.099 -11.908 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.985 -11.667 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.666 -11.970 0.528 1.00 0.00 H new ATOM 0 HE ARG A 76 5.454 -13.843 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.616 -12.950 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.966 -14.584 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.920 -15.935 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.449 -16.264 2.324 1.00 0.00 H new ATOM 1289 N ILE A 77 4.324 -7.456 4.018 1.00 0.00 N ATOM 1290 CA ILE A 77 3.236 -6.490 4.114 1.00 0.00 C ATOM 1291 C ILE A 77 3.724 -5.169 4.701 1.00 0.00 C ATOM 1292 O ILE A 77 4.428 -5.149 5.712 1.00 0.00 O ATOM 1293 CB ILE A 77 2.078 -7.028 4.981 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.589 -8.370 4.436 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.935 -6.024 5.031 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.928 -9.244 5.481 1.00 0.00 C ATOM 0 H ILE A 77 4.675 -7.788 4.916 1.00 0.00 H new ATOM 0 HA ILE A 77 2.872 -6.323 3.100 1.00 0.00 H new ATOM 0 HB ILE A 77 2.445 -7.177 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.882 -8.188 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.434 -8.908 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.128 -6.421 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.292 -5.088 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.565 -5.843 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.606 -10.179 5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.639 -9.457 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.062 -8.726 5.894 1.00 0.00 H new ATOM 1308 N PHE A 78 3.340 -4.067 4.065 1.00 0.00 N ATOM 1309 CA PHE A 78 3.733 -2.742 4.531 1.00 0.00 C ATOM 1310 C PHE A 78 2.525 -1.817 4.620 1.00 0.00 C ATOM 1311 O PHE A 78 1.583 -1.930 3.836 1.00 0.00 O ATOM 1312 CB PHE A 78 4.794 -2.140 3.605 1.00 0.00 C ATOM 1313 CG PHE A 78 4.389 -2.106 2.158 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.527 -3.230 1.360 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.878 -0.947 1.595 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.161 -3.200 0.027 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.513 -0.911 0.264 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.653 -2.038 -0.521 1.00 0.00 C ATOM 0 H PHE A 78 2.758 -4.065 3.227 1.00 0.00 H new ATOM 0 HA PHE A 78 4.159 -2.848 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.016 -1.125 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.715 -2.715 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.925 -4.140 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.764 -0.062 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.272 -4.083 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.118 -0.001 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.366 -2.011 -1.562 1.00 0.00 H new ATOM 1328 N GLN A 79 2.555 -0.906 5.588 1.00 0.00 N ATOM 1329 CA GLN A 79 1.457 0.034 5.789 1.00 0.00 C ATOM 1330 C GLN A 79 1.890 1.466 5.487 1.00 0.00 C ATOM 1331 O GLN A 79 3.013 1.866 5.794 1.00 0.00 O ATOM 1332 CB GLN A 79 0.942 -0.064 7.227 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.191 0.900 7.536 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.462 1.021 9.023 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.057 1.991 9.663 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.151 0.031 9.582 1.00 0.00 N ATOM 0 H GLN A 79 3.327 -0.799 6.245 1.00 0.00 H new ATOM 0 HA GLN A 79 0.656 -0.229 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.602 -1.083 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.767 0.127 7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.053 1.883 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.097 0.565 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.468 -0.754 9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.363 0.057 10.579 1.00 0.00 H new ATOM 1345 N ILE A 80 0.984 2.233 4.886 1.00 0.00 N ATOM 1346 CA ILE A 80 1.260 3.623 4.542 1.00 0.00 C ATOM 1347 C ILE A 80 0.218 4.554 5.155 1.00 0.00 C ATOM 1348 O ILE A 80 -0.959 4.497 4.806 1.00 0.00 O ATOM 1349 CB ILE A 80 1.280 3.833 3.015 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.244 2.846 2.352 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.666 5.267 2.681 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.683 2.197 1.107 1.00 0.00 C ATOM 0 H ILE A 80 0.051 1.913 4.627 1.00 0.00 H new ATOM 0 HA ILE A 80 2.244 3.860 4.946 1.00 0.00 H new ATOM 0 HB ILE A 80 0.279 3.648 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.166 3.368 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.506 2.069 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.675 5.399 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.942 5.951 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.657 5.480 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.420 1.510 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.777 1.647 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.447 2.965 0.371 1.00 0.00 H new ATOM 1364 N LEU A 81 0.660 5.413 6.070 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.238 6.357 6.726 1.00 0.00 C ATOM 1366 C LEU A 81 -0.373 7.636 5.910 1.00 0.00 C ATOM 1367 O LEU A 81 0.602 8.125 5.338 1.00 0.00 O ATOM 1368 CB LEU A 81 0.267 6.687 8.132 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.573 7.711 8.896 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.866 7.078 9.390 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.217 8.288 10.062 1.00 0.00 C ATOM 0 H LEU A 81 1.632 5.474 6.373 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.220 5.889 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.307 5.766 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.288 7.061 8.057 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.825 8.524 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.451 7.821 9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.441 6.713 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.633 6.246 10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.397 9.015 10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.500 7.485 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.115 8.778 9.686 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.586 8.175 5.860 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.848 9.400 5.113 1.00 0.00 C ATOM 1385 C TYR A 82 -2.977 10.199 5.755 1.00 0.00 C ATOM 1386 O TYR A 82 -3.951 9.632 6.248 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.205 9.073 3.663 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.133 7.888 3.520 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.659 6.592 3.665 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.482 8.068 3.244 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.503 5.506 3.537 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.333 6.986 3.114 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.839 5.708 3.261 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.683 4.629 3.134 1.00 0.00 O ATOM 0 H TYR A 82 -2.403 7.783 6.328 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.941 10.005 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.671 9.946 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.288 8.875 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.613 6.430 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.872 9.068 3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.118 4.503 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.380 7.142 2.898 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.577 4.038 3.909 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.837 11.520 5.743 1.00 0.00 N ATOM 1405 CA ALA A 83 -3.845 12.400 6.322 1.00 0.00 C ATOM 1406 C ALA A 83 -5.081 12.475 5.434 1.00 0.00 C ATOM 1407 O ALA A 83 -4.999 12.862 4.268 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.263 13.789 6.540 1.00 0.00 C ATOM 0 H ALA A 83 -2.036 12.005 5.339 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.147 11.988 7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.024 14.439 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.412 13.725 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.935 14.200 5.585 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.229 12.099 5.990 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.482 12.124 5.243 1.00 0.00 C ATOM 1416 C ASN A 84 -8.316 13.349 5.612 1.00 0.00 C ATOM 1417 O ASN A 84 -8.861 14.027 4.741 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.278 10.838 5.498 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.009 10.847 6.829 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.156 11.283 6.916 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.344 10.364 7.872 1.00 0.00 N ATOM 0 H ASN A 84 -6.317 11.774 6.953 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.244 12.186 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.001 10.699 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.600 9.985 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.783 10.344 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.394 10.013 7.753 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.413 13.623 6.910 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.182 14.764 7.396 1.00 0.00 C ATOM 1430 C GLU A 85 -8.272 15.786 8.070 1.00 0.00 C ATOM 1431 O GLU A 85 -8.380 16.987 7.824 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.259 14.298 8.377 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.423 13.583 7.710 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.713 14.377 7.778 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.025 14.911 8.862 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.414 14.463 6.746 1.00 0.00 O ATOM 0 H GLU A 85 -7.969 13.071 7.644 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.661 15.239 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.806 13.631 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.639 15.161 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.175 13.389 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.571 12.615 8.188 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.374 15.298 8.922 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.458 16.180 9.618 1.00 0.00 C ATOM 1445 C GLY A 86 -5.128 15.517 9.914 1.00 0.00 C ATOM 1446 O GLY A 86 -4.213 15.554 9.092 1.00 0.00 O ATOM 0 H GLY A 86 -7.266 14.308 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.289 17.073 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.913 16.508 10.553 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.020 14.909 11.091 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.790 14.234 11.491 1.00 0.00 C ATOM 1452 C ILE A 87 -4.091 12.906 12.177 1.00 0.00 C ATOM 1453 O ILE A 87 -3.765 11.839 11.657 1.00 0.00 O ATOM 1454 CB ILE A 87 -2.943 15.105 12.445 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.084 16.589 12.094 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.483 14.682 12.389 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.223 17.276 12.817 1.00 0.00 C ATOM 0 H ILE A 87 -5.768 14.870 11.784 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.223 14.055 10.577 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.310 14.959 13.461 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.152 17.101 12.333 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.235 16.687 11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.898 15.304 13.066 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.395 13.638 12.688 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.109 14.801 11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.263 18.324 12.520 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.164 16.790 12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.063 17.210 13.893 1.00 0.00 H new ATOM 1469 N SER A 88 -4.713 12.981 13.350 1.00 0.00 N ATOM 1470 CA SER A 88 -5.057 11.785 14.111 1.00 0.00 C ATOM 1471 C SER A 88 -5.999 10.883 13.321 1.00 0.00 C ATOM 1472 O SER A 88 -5.969 9.661 13.464 1.00 0.00 O ATOM 1473 CB SER A 88 -5.698 12.171 15.444 1.00 0.00 C ATOM 1474 OG SER A 88 -6.185 11.028 16.126 1.00 0.00 O ATOM 0 H SER A 88 -4.989 13.857 13.794 1.00 0.00 H new ATOM 0 HA SER A 88 -4.137 11.233 14.304 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.967 12.686 16.067 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.516 12.870 15.269 1.00 0.00 H new ATOM 0 HG SER A 88 -6.589 11.302 16.976 1.00 0.00 H new ATOM 1480 N SER A 89 -6.836 11.492 12.488 1.00 0.00 N ATOM 1481 CA SER A 89 -7.788 10.740 11.675 1.00 0.00 C ATOM 1482 C SER A 89 -7.088 10.039 10.516 1.00 0.00 C ATOM 1483 O SER A 89 -7.605 9.063 9.969 1.00 0.00 O ATOM 1484 CB SER A 89 -8.879 11.666 11.139 1.00 0.00 C ATOM 1485 OG SER A 89 -9.652 12.211 12.195 1.00 0.00 O ATOM 0 H SER A 89 -6.875 12.503 12.357 1.00 0.00 H new ATOM 0 HA SER A 89 -8.244 9.981 12.311 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.425 12.472 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.527 11.114 10.458 1.00 0.00 H new ATOM 0 HG SER A 89 -10.342 12.801 11.825 1.00 0.00 H new ATOM 1491 N ALA A 90 -5.911 10.545 10.141 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.130 9.977 9.042 1.00 0.00 C ATOM 1493 C ALA A 90 -5.211 8.453 9.016 1.00 0.00 C ATOM 1494 O ALA A 90 -4.809 7.783 9.967 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.681 10.424 9.147 1.00 0.00 C ATOM 0 H ALA A 90 -5.476 11.353 10.587 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.556 10.344 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.108 9.996 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.631 11.512 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.264 10.085 10.095 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.739 7.914 7.923 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.879 6.472 7.771 1.00 0.00 C ATOM 1503 C LYS A 91 -4.609 5.862 7.191 1.00 0.00 C ATOM 1504 O LYS A 91 -3.622 6.561 6.955 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.072 6.145 6.872 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.383 6.740 7.364 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.792 6.156 8.707 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.891 5.117 8.551 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.354 3.729 8.594 1.00 0.00 N ATOM 0 H LYS A 91 -6.078 8.456 7.128 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.050 6.043 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.870 6.512 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.177 5.062 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.282 7.822 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.167 6.552 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.925 5.701 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.136 6.956 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.627 5.246 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.410 5.276 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.135 3.051 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.670 3.597 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.881 3.568 9.506 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.638 4.553 6.967 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.486 3.849 6.418 1.00 0.00 C ATOM 1525 C ASN A 92 -3.910 2.862 5.335 1.00 0.00 C ATOM 1526 O ASN A 92 -5.090 2.546 5.195 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.728 3.113 7.527 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.646 2.572 8.611 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.637 1.781 8.212 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.464 2.862 9.793 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.445 3.959 7.157 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.826 4.591 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.165 2.289 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.003 3.791 7.977 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.690 3.473 10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.087 2.491 10.511 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.934 2.377 4.574 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.199 1.424 3.505 1.00 0.00 C ATOM 1539 C LEU A 93 -2.279 0.213 3.619 1.00 0.00 C ATOM 1540 O LEU A 93 -1.056 0.343 3.567 1.00 0.00 O ATOM 1541 CB LEU A 93 -3.018 2.091 2.138 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.205 1.935 1.183 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.516 3.256 0.494 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.922 0.850 0.155 1.00 0.00 C ATOM 0 H LEU A 93 -1.951 2.630 4.679 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.231 1.086 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.830 3.154 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.130 1.675 1.662 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.078 1.639 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.362 3.124 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.763 4.008 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.646 3.583 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.776 0.752 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.036 1.117 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.751 -0.098 0.665 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.875 -0.963 3.778 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.105 -2.195 3.900 1.00 0.00 C ATOM 1558 C LEU A 94 -1.935 -2.859 2.538 1.00 0.00 C ATOM 1559 O LEU A 94 -2.916 -3.166 1.860 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.795 -3.153 4.874 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.643 -2.797 6.354 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.251 -3.157 6.850 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.925 -1.317 6.580 1.00 0.00 C ATOM 0 H LEU A 94 -3.886 -1.089 3.825 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.117 -1.948 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.857 -3.189 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.398 -4.156 4.715 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.371 -3.376 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.162 -2.896 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.086 -4.227 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.506 -2.606 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.812 -1.083 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.222 -0.720 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.943 -1.088 6.264 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.686 -3.070 2.141 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.390 -3.684 0.856 1.00 0.00 C ATOM 1577 C LEU A 95 0.552 -4.875 1.013 1.00 0.00 C ATOM 1578 O LEU A 95 1.699 -4.723 1.436 1.00 0.00 O ATOM 1579 CB LEU A 95 0.227 -2.647 -0.081 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.627 -1.400 -0.307 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.048 -0.463 -1.293 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -2.014 -1.787 -0.802 1.00 0.00 C ATOM 0 H LEU A 95 0.137 -2.824 2.691 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.324 -4.050 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.192 -2.341 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.420 -3.118 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.733 -0.879 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.575 0.419 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.019 -0.160 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.185 -0.975 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.609 -0.887 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.926 -2.331 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.501 -2.420 -0.061 1.00 0.00 H new ATOM 1594 N LEU A 96 0.059 -6.059 0.664 1.00 0.00 N ATOM 1595 CA LEU A 96 0.851 -7.278 0.756 1.00 0.00 C ATOM 1596 C LEU A 96 1.602 -7.524 -0.549 1.00 0.00 C ATOM 1597 O LEU A 96 1.007 -7.525 -1.628 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.053 -8.473 1.087 1.00 0.00 C ATOM 1599 CG LEU A 96 0.576 -9.856 0.886 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.502 -10.196 2.042 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.506 -10.915 0.737 1.00 0.00 C ATOM 0 H LEU A 96 -0.889 -6.199 0.314 1.00 0.00 H new ATOM 0 HA LEU A 96 1.581 -7.161 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.373 -8.387 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.950 -8.409 0.471 1.00 0.00 H new ATOM 0 HG LEU A 96 1.167 -9.836 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.939 -11.182 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.297 -9.452 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.936 -10.198 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.043 -11.891 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.123 -10.933 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.129 -10.680 -0.126 1.00 0.00 H new ATOM 1613 N ALA A 97 2.910 -7.730 -0.445 1.00 0.00 N ATOM 1614 CA ALA A 97 3.738 -7.974 -1.619 1.00 0.00 C ATOM 1615 C ALA A 97 4.025 -9.461 -1.791 1.00 0.00 C ATOM 1616 O ALA A 97 4.349 -10.157 -0.828 1.00 0.00 O ATOM 1617 CB ALA A 97 5.038 -7.191 -1.513 1.00 0.00 C ATOM 0 H ALA A 97 3.419 -7.733 0.439 1.00 0.00 H new ATOM 0 HA ALA A 97 3.190 -7.635 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.650 -7.380 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.817 -6.126 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.580 -7.505 -0.621 1.00 0.00 H new ATOM 1623 N ASN A 98 3.908 -9.943 -3.025 1.00 0.00 N ATOM 1624 CA ASN A 98 4.158 -11.348 -3.324 1.00 0.00 C ATOM 1625 C ASN A 98 5.558 -11.760 -2.875 1.00 0.00 C ATOM 1626 O ASN A 98 5.816 -12.934 -2.614 1.00 0.00 O ATOM 1627 CB ASN A 98 3.994 -11.610 -4.822 1.00 0.00 C ATOM 1628 CG ASN A 98 4.751 -10.609 -5.670 1.00 0.00 C ATOM 1629 OD1 ASN A 98 5.936 -10.788 -5.954 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.069 -9.546 -6.084 1.00 0.00 N ATOM 0 H ASN A 98 3.642 -9.381 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 98 3.429 -11.945 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.345 -12.616 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.936 -11.574 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.526 -8.839 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.088 -9.437 -5.826 1.00 0.00 H new ATOM 1637 N SER A 99 6.458 -10.784 -2.786 1.00 0.00 N ATOM 1638 CA SER A 99 7.829 -11.044 -2.366 1.00 0.00 C ATOM 1639 C SER A 99 8.291 -9.998 -1.357 1.00 0.00 C ATOM 1640 O SER A 99 7.896 -8.834 -1.431 1.00 0.00 O ATOM 1641 CB SER A 99 8.762 -11.056 -3.579 1.00 0.00 C ATOM 1642 OG SER A 99 9.416 -12.307 -3.706 1.00 0.00 O ATOM 0 H SER A 99 6.261 -9.806 -3.000 1.00 0.00 H new ATOM 0 HA SER A 99 7.861 -12.023 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.191 -10.847 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.503 -10.263 -3.480 1.00 0.00 H new ATOM 0 HG SER A 99 10.005 -12.290 -4.489 1.00 0.00 H new ATOM 1648 N THR A 100 9.129 -10.419 -0.417 1.00 0.00 N ATOM 1649 CA THR A 100 9.646 -9.518 0.608 1.00 0.00 C ATOM 1650 C THR A 100 10.358 -8.325 -0.022 1.00 0.00 C ATOM 1651 O THR A 100 10.161 -7.182 0.390 1.00 0.00 O ATOM 1652 CB THR A 100 10.606 -10.264 1.535 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.238 -11.628 1.643 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.655 -9.689 2.933 1.00 0.00 C ATOM 0 H THR A 100 9.466 -11.379 -0.343 1.00 0.00 H new ATOM 0 HA THR A 100 8.801 -9.149 1.189 1.00 0.00 H new ATOM 0 HB THR A 100 11.591 -10.155 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.864 -12.090 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.355 -10.265 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.983 -8.650 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.663 -9.737 3.381 1.00 0.00 H new ATOM 1662 N GLU A 101 11.189 -8.601 -1.022 1.00 0.00 N ATOM 1663 CA GLU A 101 11.937 -7.553 -1.709 1.00 0.00 C ATOM 1664 C GLU A 101 11.010 -6.446 -2.205 1.00 0.00 C ATOM 1665 O GLU A 101 11.334 -5.262 -2.102 1.00 0.00 O ATOM 1666 CB GLU A 101 12.716 -8.147 -2.885 1.00 0.00 C ATOM 1667 CG GLU A 101 13.510 -9.391 -2.523 1.00 0.00 C ATOM 1668 CD GLU A 101 14.533 -9.757 -3.579 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.151 -9.861 -4.764 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.716 -9.940 -3.223 1.00 0.00 O ATOM 0 H GLU A 101 11.362 -9.542 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 101 12.637 -7.117 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.018 -8.392 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.398 -7.392 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.017 -9.230 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.825 -10.227 -2.381 1.00 0.00 H new ATOM 1677 N GLU A 102 9.858 -6.836 -2.741 1.00 0.00 N ATOM 1678 CA GLU A 102 8.887 -5.875 -3.251 1.00 0.00 C ATOM 1679 C GLU A 102 8.470 -4.893 -2.160 1.00 0.00 C ATOM 1680 O GLU A 102 8.373 -3.689 -2.400 1.00 0.00 O ATOM 1681 CB GLU A 102 7.657 -6.601 -3.799 1.00 0.00 C ATOM 1682 CG GLU A 102 7.119 -6.000 -5.087 1.00 0.00 C ATOM 1683 CD GLU A 102 5.638 -6.263 -5.279 1.00 0.00 C ATOM 1684 OE1 GLU A 102 4.834 -5.745 -4.476 1.00 0.00 O ATOM 1685 OE2 GLU A 102 5.283 -6.988 -6.232 1.00 0.00 O ATOM 0 H GLU A 102 9.574 -7.811 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 102 9.357 -5.315 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.911 -7.647 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.870 -6.586 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.296 -4.924 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.670 -6.411 -5.933 1.00 0.00 H new ATOM 1692 N GLN A 103 8.228 -5.413 -0.962 1.00 0.00 N ATOM 1693 CA GLN A 103 7.824 -4.579 0.165 1.00 0.00 C ATOM 1694 C GLN A 103 8.912 -3.562 0.504 1.00 0.00 C ATOM 1695 O GLN A 103 8.619 -2.429 0.884 1.00 0.00 O ATOM 1696 CB GLN A 103 7.518 -5.451 1.386 1.00 0.00 C ATOM 1697 CG GLN A 103 7.308 -4.663 2.670 1.00 0.00 C ATOM 1698 CD GLN A 103 8.510 -4.725 3.592 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.071 -5.794 3.831 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.913 -3.573 4.117 1.00 0.00 N ATOM 0 H GLN A 103 8.304 -6.407 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 103 6.922 -4.036 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.624 -6.041 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.338 -6.154 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.096 -3.623 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.433 -5.051 3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.419 -2.709 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.717 -3.552 4.745 1.00 0.00 H new ATOM 1709 N GLN A 104 10.167 -3.975 0.363 1.00 0.00 N ATOM 1710 CA GLN A 104 11.296 -3.094 0.655 1.00 0.00 C ATOM 1711 C GLN A 104 11.412 -1.999 -0.400 1.00 0.00 C ATOM 1712 O GLN A 104 11.773 -0.864 -0.093 1.00 0.00 O ATOM 1713 CB GLN A 104 12.611 -3.884 0.721 1.00 0.00 C ATOM 1714 CG GLN A 104 12.452 -5.337 1.146 1.00 0.00 C ATOM 1715 CD GLN A 104 11.579 -5.501 2.375 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.214 -4.524 3.029 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.239 -6.744 2.692 1.00 0.00 N ATOM 0 H GLN A 104 10.429 -4.910 0.050 1.00 0.00 H new ATOM 0 HA GLN A 104 11.113 -2.637 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.087 -3.855 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.285 -3.386 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.021 -5.906 0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.436 -5.761 1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.565 -7.523 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.652 -6.920 3.507 1.00 0.00 H new ATOM 1726 N LYS A 105 11.107 -2.352 -1.643 1.00 0.00 N ATOM 1727 CA LYS A 105 11.181 -1.402 -2.747 1.00 0.00 C ATOM 1728 C LYS A 105 10.008 -0.429 -2.716 1.00 0.00 C ATOM 1729 O LYS A 105 10.198 0.784 -2.758 1.00 0.00 O ATOM 1730 CB LYS A 105 11.208 -2.144 -4.085 1.00 0.00 C ATOM 1731 CG LYS A 105 11.249 -1.221 -5.293 1.00 0.00 C ATOM 1732 CD LYS A 105 11.365 -2.006 -6.590 1.00 0.00 C ATOM 1733 CE LYS A 105 10.573 -1.350 -7.713 1.00 0.00 C ATOM 1734 NZ LYS A 105 11.383 -1.212 -8.954 1.00 0.00 N ATOM 0 H LYS A 105 10.806 -3.289 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 105 12.102 -0.830 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.078 -2.800 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.327 -2.781 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.347 -0.610 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.094 -0.539 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.413 -2.081 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.004 -3.023 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.683 -1.943 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.232 -0.366 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.809 -0.761 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.219 -0.625 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.687 -2.153 -9.276 1.00 0.00 H new ATOM 1748 N TRP A 106 8.795 -0.968 -2.650 1.00 0.00 N ATOM 1749 CA TRP A 106 7.590 -0.142 -2.624 1.00 0.00 C ATOM 1750 C TRP A 106 7.630 0.873 -1.486 1.00 0.00 C ATOM 1751 O TRP A 106 7.405 2.064 -1.693 1.00 0.00 O ATOM 1752 CB TRP A 106 6.352 -1.019 -2.486 1.00 0.00 C ATOM 1753 CG TRP A 106 5.684 -1.277 -3.797 1.00 0.00 C ATOM 1754 CD1 TRP A 106 5.985 -2.266 -4.679 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.617 -0.524 -4.382 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.155 -2.191 -5.774 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.310 -1.126 -5.614 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.887 0.595 -3.978 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.305 -0.646 -6.446 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.890 1.071 -4.810 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.607 0.451 -6.030 1.00 0.00 C ATOM 0 H TRP A 106 8.619 -1.972 -2.614 1.00 0.00 H new ATOM 0 HA TRP A 106 7.546 0.405 -3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.633 -1.969 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.645 -0.539 -1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.762 -3.003 -4.541 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.167 -2.825 -6.573 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.096 1.079 -3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.084 -1.124 -7.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.320 1.938 -4.511 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.821 0.847 -6.656 1.00 0.00 H new ATOM 1772 N VAL A 107 7.907 0.387 -0.281 1.00 0.00 N ATOM 1773 CA VAL A 107 7.961 1.242 0.899 1.00 0.00 C ATOM 1774 C VAL A 107 9.108 2.247 0.823 1.00 0.00 C ATOM 1775 O VAL A 107 8.915 3.435 1.071 1.00 0.00 O ATOM 1776 CB VAL A 107 8.111 0.403 2.185 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.111 1.295 3.419 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.006 -0.640 2.269 1.00 0.00 C ATOM 0 H VAL A 107 8.098 -0.598 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 107 7.019 1.790 0.929 1.00 0.00 H new ATOM 0 HB VAL A 107 9.070 -0.114 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.218 0.680 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.942 1.997 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.173 1.847 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.125 -1.224 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.036 -0.143 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.064 -1.302 1.405 1.00 0.00 H new ATOM 1788 N SER A 108 10.300 1.760 0.501 1.00 0.00 N ATOM 1789 CA SER A 108 11.479 2.616 0.419 1.00 0.00 C ATOM 1790 C SER A 108 11.372 3.638 -0.712 1.00 0.00 C ATOM 1791 O SER A 108 11.833 4.771 -0.575 1.00 0.00 O ATOM 1792 CB SER A 108 12.736 1.764 0.229 1.00 0.00 C ATOM 1793 OG SER A 108 13.906 2.514 0.496 1.00 0.00 O ATOM 0 H SER A 108 10.477 0.777 0.292 1.00 0.00 H new ATOM 0 HA SER A 108 11.545 3.167 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.696 0.899 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.770 1.383 -0.792 1.00 0.00 H new ATOM 0 HG SER A 108 14.695 1.946 0.369 1.00 0.00 H new ATOM 1799 N ARG A 109 10.778 3.237 -1.830 1.00 0.00 N ATOM 1800 CA ARG A 109 10.636 4.133 -2.974 1.00 0.00 C ATOM 1801 C ARG A 109 9.545 5.169 -2.736 1.00 0.00 C ATOM 1802 O ARG A 109 9.778 6.373 -2.859 1.00 0.00 O ATOM 1803 CB ARG A 109 10.326 3.338 -4.244 1.00 0.00 C ATOM 1804 CG ARG A 109 11.567 2.835 -4.963 1.00 0.00 C ATOM 1805 CD ARG A 109 12.325 3.973 -5.628 1.00 0.00 C ATOM 1806 NE ARG A 109 13.769 3.849 -5.445 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.545 3.058 -6.183 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.021 2.316 -7.149 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.850 3.008 -5.950 1.00 0.00 N ATOM 0 H ARG A 109 10.389 2.304 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 109 11.584 4.656 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.696 2.487 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.751 3.966 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.220 2.328 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.280 2.099 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.095 3.988 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.987 4.924 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 109 14.209 4.401 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.018 2.349 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.621 1.712 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 109 16.257 3.575 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.446 2.403 -6.514 1.00 0.00 H new ATOM 1823 N LEU A 110 8.349 4.696 -2.401 1.00 0.00 N ATOM 1824 CA LEU A 110 7.222 5.584 -2.157 1.00 0.00 C ATOM 1825 C LEU A 110 7.520 6.551 -1.012 1.00 0.00 C ATOM 1826 O LEU A 110 7.137 7.719 -1.062 1.00 0.00 O ATOM 1827 CB LEU A 110 5.960 4.771 -1.852 1.00 0.00 C ATOM 1828 CG LEU A 110 5.914 4.127 -0.465 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.410 5.121 0.571 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.034 2.886 -0.489 1.00 0.00 C ATOM 0 H LEU A 110 8.137 3.704 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 110 7.054 6.171 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.093 5.423 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.864 3.986 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 110 6.925 3.830 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.385 4.644 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.077 5.982 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.406 5.450 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.010 2.438 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.023 3.163 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.438 2.167 -1.202 1.00 0.00 H new ATOM 1842 N VAL A 111 8.203 6.057 0.017 1.00 0.00 N ATOM 1843 CA VAL A 111 8.548 6.881 1.169 1.00 0.00 C ATOM 1844 C VAL A 111 9.638 7.891 0.819 1.00 0.00 C ATOM 1845 O VAL A 111 9.562 9.059 1.200 1.00 0.00 O ATOM 1846 CB VAL A 111 9.011 6.020 2.364 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.404 5.450 2.125 1.00 0.00 C ATOM 1848 CG2 VAL A 111 8.976 6.830 3.650 1.00 0.00 C ATOM 0 H VAL A 111 8.528 5.092 0.076 1.00 0.00 H new ATOM 0 HA VAL A 111 7.643 7.418 1.455 1.00 0.00 H new ATOM 0 HB VAL A 111 8.320 5.183 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.703 4.848 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.394 4.827 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.113 6.267 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.305 6.207 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.639 7.690 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.959 7.174 3.836 1.00 0.00 H new ATOM 1858 N LYS A 112 10.651 7.429 0.095 1.00 0.00 N ATOM 1859 CA LYS A 112 11.759 8.288 -0.303 1.00 0.00 C ATOM 1860 C LYS A 112 11.274 9.440 -1.175 1.00 0.00 C ATOM 1861 O LYS A 112 11.882 10.511 -1.200 1.00 0.00 O ATOM 1862 CB LYS A 112 12.818 7.477 -1.052 1.00 0.00 C ATOM 1863 CG LYS A 112 13.857 6.845 -0.142 1.00 0.00 C ATOM 1864 CD LYS A 112 15.032 6.295 -0.935 1.00 0.00 C ATOM 1865 CE LYS A 112 15.893 5.371 -0.088 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.228 5.977 1.230 1.00 0.00 N ATOM 0 H LYS A 112 10.728 6.465 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 112 12.202 8.705 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.324 6.692 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.321 8.126 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.214 7.586 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.397 6.042 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.663 5.753 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.639 7.120 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.368 4.428 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.813 5.138 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.984 5.426 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.549 6.956 1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.385 5.973 1.838 1.00 0.00 H new ATOM 1880 N LYS A 113 10.177 9.215 -1.893 1.00 0.00 N ATOM 1881 CA LYS A 113 9.618 10.241 -2.767 1.00 0.00 C ATOM 1882 C LYS A 113 8.840 11.284 -1.970 1.00 0.00 C ATOM 1883 O LYS A 113 8.621 12.400 -2.442 1.00 0.00 O ATOM 1884 CB LYS A 113 8.708 9.603 -3.818 1.00 0.00 C ATOM 1885 CG LYS A 113 9.460 8.803 -4.870 1.00 0.00 C ATOM 1886 CD LYS A 113 8.819 8.942 -6.240 1.00 0.00 C ATOM 1887 CE LYS A 113 7.556 8.105 -6.351 1.00 0.00 C ATOM 1888 NZ LYS A 113 6.541 8.493 -5.335 1.00 0.00 N ATOM 0 H LYS A 113 9.660 8.336 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 113 10.447 10.743 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.993 8.949 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 113 8.133 10.386 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.495 9.142 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.482 7.752 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.580 9.989 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.529 8.635 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.132 8.218 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.807 7.051 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.591 8.254 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.723 7.980 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.598 9.517 -5.161 1.00 0.00 H new ATOM 1902 N ILE A 114 8.422 10.918 -0.761 1.00 0.00 N ATOM 1903 CA ILE A 114 7.669 11.829 0.093 1.00 0.00 C ATOM 1904 C ILE A 114 8.463 13.105 0.372 1.00 0.00 C ATOM 1905 O ILE A 114 9.680 13.057 0.556 1.00 0.00 O ATOM 1906 CB ILE A 114 7.291 11.165 1.434 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.567 9.840 1.186 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.426 12.099 2.267 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.144 9.135 2.456 1.00 0.00 C ATOM 0 H ILE A 114 8.592 9.999 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 114 6.756 12.083 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 114 8.206 10.960 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.685 10.026 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.220 9.180 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.169 11.614 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.975 13.019 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.513 12.335 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.637 8.204 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.024 8.917 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.466 9.776 3.019 1.00 0.00 H new ATOM 1921 N PRO A 115 7.785 14.268 0.413 1.00 0.00 N ATOM 1922 CA PRO A 115 8.439 15.553 0.675 1.00 0.00 C ATOM 1923 C PRO A 115 9.023 15.622 2.079 1.00 0.00 C ATOM 1924 O PRO A 115 10.217 15.860 2.260 1.00 0.00 O ATOM 1925 CB PRO A 115 7.312 16.585 0.523 1.00 0.00 C ATOM 1926 CG PRO A 115 6.208 15.867 -0.175 1.00 0.00 C ATOM 1927 CD PRO A 115 6.337 14.424 0.211 1.00 0.00 C ATOM 0 HA PRO A 115 9.276 15.721 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 115 6.986 16.957 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.645 17.448 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.237 16.264 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.286 15.989 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.776 14.196 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.964 13.762 -0.570 1.00 0.00 H new ATOM 1935 N LYS A 116 8.166 15.410 3.072 1.00 0.00 N ATOM 1936 CA LYS A 116 8.587 15.446 4.468 1.00 0.00 C ATOM 1937 C LYS A 116 9.082 14.076 4.924 1.00 0.00 C ATOM 1938 O LYS A 116 8.629 13.546 5.939 1.00 0.00 O ATOM 1939 CB LYS A 116 7.430 15.908 5.359 1.00 0.00 C ATOM 1940 CG LYS A 116 6.795 17.213 4.906 1.00 0.00 C ATOM 1941 CD LYS A 116 5.481 16.972 4.177 1.00 0.00 C ATOM 1942 CE LYS A 116 4.334 16.767 5.152 1.00 0.00 C ATOM 1943 NZ LYS A 116 3.604 18.035 5.427 1.00 0.00 N ATOM 0 H LYS A 116 7.175 15.211 2.936 1.00 0.00 H new ATOM 0 HA LYS A 116 9.410 16.155 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.666 15.131 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.794 16.026 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.620 17.853 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.484 17.745 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.262 17.821 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.575 16.096 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.641 16.030 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.721 16.361 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.830 17.852 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.259 18.731 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.213 18.410 4.539 1.00 0.00 H new ATOM 1957 N LYS A 117 10.015 13.510 4.168 1.00 0.00 N ATOM 1958 CA LYS A 117 10.574 12.203 4.492 1.00 0.00 C ATOM 1959 C LYS A 117 11.334 12.250 5.813 1.00 0.00 C ATOM 1960 O LYS A 117 11.406 11.203 6.491 1.00 0.00 O ATOM 1961 CB LYS A 117 11.503 11.729 3.373 1.00 0.00 C ATOM 1962 CG LYS A 117 12.037 10.322 3.581 1.00 0.00 C ATOM 1963 CD LYS A 117 13.422 10.155 2.975 1.00 0.00 C ATOM 1964 CE LYS A 117 14.341 9.364 3.892 1.00 0.00 C ATOM 1965 NZ LYS A 117 15.206 8.422 3.132 1.00 0.00 N ATOM 1966 OXT LYS A 117 11.850 13.333 6.161 1.00 0.00 O ATOM 0 H LYS A 117 10.401 13.936 3.325 1.00 0.00 H new ATOM 0 HA LYS A 117 9.749 11.498 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.966 11.768 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.343 12.419 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.077 10.101 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.353 9.602 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.341 9.647 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.856 11.136 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.966 10.052 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.743 8.807 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.887 7.976 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.616 7.688 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.721 8.942 2.393 1.00 0.00 H new TER 1980 LYS A 117