USER MOD reduce.3.24.130724 H: found=0, std=0, add=1238, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1233 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 94 GLN :FLIP amide:sc=-0.000959 F(o=-2.1,f=-0.79) USER MOD Set 1.2: A 98 GLN : amide:sc= -0.79 K(o=-0.79,f=-2.4) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.673 K(o=-0.59,f=-3!) USER MOD Set 2.2: A 45 THR OG1 : rot 176:sc= 0.0782 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 156:sc=-0.00704 (180deg=-0.108) USER MOD Set 3.2: A 61 TYR OH : rot -147:sc= 0.482 USER MOD Set 4.1: A 14 GLN : amide:sc= -6.41! C(o=-6.3!,f=-19!) USER MOD Set 4.2: A 18 SER OG : rot -170:sc= 0.125 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0926 (180deg=0) USER MOD Single : A 2 SER OG : rot 140:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00152 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 37:sc= -0.714 USER MOD Single : A 11 SER OG : rot 70:sc= -2.83! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 123:sc= 0.223 USER MOD Single : A 34 THR OG1 : rot 70:sc= -0.348 USER MOD Single : A 36 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.82) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0.736 (180deg=0.727) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.19 (180deg=-0.707) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -2.68! C(o=-5.9!,f=-2.7!) USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.00198 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.36) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 77 SER OG : rot 24:sc= 0.191 USER MOD Single : A 79 CYS SG : rot -9:sc= 0.215 USER MOD Single : A 83 CYS SG : rot -106:sc= -1.18 USER MOD Single : A 89 CYS SG : rot 105:sc= 0.183! USER MOD Single : A 91 SER OG : rot 53:sc= 1.09 USER MOD Single : A 92 GLN :FLIP amide:sc= -5.26! C(o=-6.3!,f=-5.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= -0.429 (180deg=-1.78!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= -4.95! C(o=-9.8!,f=-5!) USER MOD Single : A 106 SER OG : rot 41:sc= -1.91! USER MOD Single : A 108 SER OG : rot 100:sc= -0.0172 USER MOD Single : A 114 CYS SG : rot 44:sc= 0.535 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0445) USER MOD Single : A 116 ASN :FLIP amide:sc= -2.02 F(o=-5.3!,f=-2) USER MOD Single : A 118 GLN : amide:sc= 0.161 X(o=0.16,f=-0.27) USER MOD Single : A 120 MET CE :methyl 166:sc= -4.31! (180deg=-5.02!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 142:sc= -0.342 (180deg=-1.77!) USER MOD Single : A 129 ASN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.465 K(o=-0.46,f=-1.3) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -120:sc= -2.64! (180deg=-4.45!) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 158:sc= -0.0634 (180deg=-0.51) USER MOD Single : A 150 GLN :FLIP amide:sc= -4.48! C(o=-5.8!,f=-4.5!) USER MOD Single : A 151 ASN : amide:sc= -0.477 K(o=-0.48,f=-1.2) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.963 -15.649 -16.175 1.00 0.00 N ATOM 2 CA GLY A 1 11.601 -15.295 -16.530 1.00 0.00 C ATOM 3 C GLY A 1 10.919 -14.468 -15.458 1.00 0.00 C ATOM 4 O GLY A 1 11.576 -13.939 -14.561 1.00 0.00 O ATOM 0 H1 GLY A 1 13.597 -15.429 -16.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.256 -15.106 -15.338 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.013 -16.666 -15.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.606 -14.737 -17.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.026 -16.205 -16.704 1.00 0.00 H new ATOM 8 N SER A 2 9.598 -14.353 -15.551 1.00 0.00 N ATOM 9 CA SER A 2 8.828 -13.580 -14.585 1.00 0.00 C ATOM 10 C SER A 2 8.898 -14.216 -13.200 1.00 0.00 C ATOM 11 O SER A 2 9.308 -15.367 -13.054 1.00 0.00 O ATOM 12 CB SER A 2 7.370 -13.469 -15.035 1.00 0.00 C ATOM 13 OG SER A 2 6.786 -12.260 -14.581 1.00 0.00 O ATOM 0 H SER A 2 9.039 -14.786 -16.286 1.00 0.00 H new ATOM 0 HA SER A 2 9.260 -12.581 -14.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.317 -13.516 -16.123 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.802 -14.317 -14.652 1.00 0.00 H new ATOM 0 HG SER A 2 6.217 -11.887 -15.286 1.00 0.00 H new ATOM 19 N SER A 3 8.495 -13.456 -12.186 1.00 0.00 N ATOM 20 CA SER A 3 8.516 -13.943 -10.811 1.00 0.00 C ATOM 21 C SER A 3 7.101 -14.045 -10.250 1.00 0.00 C ATOM 22 O SER A 3 6.745 -15.032 -9.607 1.00 0.00 O ATOM 23 CB SER A 3 9.359 -13.017 -9.933 1.00 0.00 C ATOM 24 OG SER A 3 9.676 -13.635 -8.697 1.00 0.00 O ATOM 0 H SER A 3 8.150 -12.502 -12.291 1.00 0.00 H new ATOM 0 HA SER A 3 8.962 -14.938 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.277 -12.751 -10.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.816 -12.090 -9.751 1.00 0.00 H new ATOM 0 HG SER A 3 10.217 -13.023 -8.155 1.00 0.00 H new ATOM 30 N GLY A 4 6.296 -13.016 -10.499 1.00 0.00 N ATOM 31 CA GLY A 4 4.929 -13.008 -10.012 1.00 0.00 C ATOM 32 C GLY A 4 3.994 -12.234 -10.921 1.00 0.00 C ATOM 33 O GLY A 4 3.197 -11.421 -10.454 1.00 0.00 O ATOM 0 H GLY A 4 6.567 -12.188 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.574 -14.034 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.905 -12.571 -9.014 1.00 0.00 H new ATOM 37 N SER A 5 4.093 -12.486 -12.222 1.00 0.00 N ATOM 38 CA SER A 5 3.254 -11.803 -13.199 1.00 0.00 C ATOM 39 C SER A 5 1.845 -11.593 -12.652 1.00 0.00 C ATOM 40 O SER A 5 1.291 -10.497 -12.736 1.00 0.00 O ATOM 41 CB SER A 5 3.194 -12.604 -14.501 1.00 0.00 C ATOM 42 OG SER A 5 2.787 -13.940 -14.259 1.00 0.00 O ATOM 0 H SER A 5 4.746 -13.158 -12.624 1.00 0.00 H new ATOM 0 HA SER A 5 3.696 -10.827 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.499 -12.128 -15.193 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.173 -12.600 -14.980 1.00 0.00 H new ATOM 0 HG SER A 5 2.755 -14.431 -15.107 1.00 0.00 H new ATOM 48 N SER A 6 1.271 -12.653 -12.092 1.00 0.00 N ATOM 49 CA SER A 6 -0.075 -12.588 -11.535 1.00 0.00 C ATOM 50 C SER A 6 -0.214 -11.400 -10.588 1.00 0.00 C ATOM 51 O SER A 6 0.660 -11.145 -9.762 1.00 0.00 O ATOM 52 CB SER A 6 -0.407 -13.886 -10.795 1.00 0.00 C ATOM 53 OG SER A 6 -0.671 -14.939 -11.706 1.00 0.00 O ATOM 0 H SER A 6 1.717 -13.567 -12.012 1.00 0.00 H new ATOM 0 HA SER A 6 -0.777 -12.458 -12.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.425 -14.162 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.274 -13.731 -10.153 1.00 0.00 H new ATOM 0 HG SER A 6 -0.879 -15.757 -11.209 1.00 0.00 H new ATOM 59 N GLY A 7 -1.322 -10.675 -10.717 1.00 0.00 N ATOM 60 CA GLY A 7 -1.556 -9.522 -9.867 1.00 0.00 C ATOM 61 C GLY A 7 -1.714 -9.900 -8.408 1.00 0.00 C ATOM 62 O GLY A 7 -2.817 -10.208 -7.955 1.00 0.00 O ATOM 0 H GLY A 7 -2.061 -10.866 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.725 -8.824 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.453 -9.002 -10.204 1.00 0.00 H new ATOM 66 N TRP A 8 -0.610 -9.877 -7.670 1.00 0.00 N ATOM 67 CA TRP A 8 -0.631 -10.222 -6.253 1.00 0.00 C ATOM 68 C TRP A 8 -1.268 -9.107 -5.431 1.00 0.00 C ATOM 69 O TRP A 8 -1.363 -7.966 -5.885 1.00 0.00 O ATOM 70 CB TRP A 8 0.789 -10.495 -5.753 1.00 0.00 C ATOM 71 CG TRP A 8 1.400 -11.728 -6.344 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.090 -11.819 -7.520 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.376 -13.048 -5.789 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.495 -13.115 -7.728 1.00 0.00 N ATOM 75 CE2 TRP A 8 2.070 -13.888 -6.681 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.836 -13.601 -4.624 1.00 0.00 C ATOM 77 CZ2 TRP A 8 2.237 -15.250 -6.443 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.002 -14.953 -4.390 1.00 0.00 C ATOM 79 CH2 TRP A 8 1.698 -15.765 -5.295 1.00 0.00 C ATOM 0 H TRP A 8 0.310 -9.623 -8.029 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.231 -11.124 -6.132 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.420 -9.638 -5.987 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.772 -10.591 -4.667 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.288 -10.993 -8.188 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.026 -13.448 -8.533 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.299 -12.983 -3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.773 -15.878 -7.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.588 -15.391 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.811 -16.818 -5.083 1.00 0.00 H new ATOM 90 N CYS A 9 -1.701 -9.443 -4.221 1.00 0.00 N ATOM 91 CA CYS A 9 -2.329 -8.469 -3.336 1.00 0.00 C ATOM 92 C CYS A 9 -1.790 -8.598 -1.915 1.00 0.00 C ATOM 93 O CYS A 9 -1.861 -9.667 -1.307 1.00 0.00 O ATOM 94 CB CYS A 9 -3.847 -8.653 -3.337 1.00 0.00 C ATOM 95 SG CYS A 9 -4.701 -7.749 -2.025 1.00 0.00 S ATOM 0 H CYS A 9 -1.629 -10.383 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.091 -7.472 -3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.241 -8.331 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.074 -9.715 -3.239 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.123 -6.599 -1.844 1.00 0.00 H new ATOM 101 N LEU A 10 -1.249 -7.503 -1.391 1.00 0.00 N ATOM 102 CA LEU A 10 -0.696 -7.494 -0.042 1.00 0.00 C ATOM 103 C LEU A 10 -1.536 -6.622 0.885 1.00 0.00 C ATOM 104 O LEU A 10 -1.667 -5.417 0.670 1.00 0.00 O ATOM 105 CB LEU A 10 0.748 -6.990 -0.065 1.00 0.00 C ATOM 106 CG LEU A 10 1.422 -6.820 1.297 1.00 0.00 C ATOM 107 CD1 LEU A 10 1.548 -8.162 2.002 1.00 0.00 C ATOM 108 CD2 LEU A 10 2.788 -6.169 1.139 1.00 0.00 C ATOM 0 H LEU A 10 -1.182 -6.611 -1.880 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.712 -8.516 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.344 -7.683 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.768 -6.030 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 10 0.799 -6.168 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.030 -8.021 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.556 -8.590 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.148 -8.838 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.253 -6.056 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.419 -6.795 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.673 -5.189 0.677 1.00 0.00 H new ATOM 120 N SER A 11 -2.101 -7.238 1.918 1.00 0.00 N ATOM 121 CA SER A 11 -2.930 -6.518 2.878 1.00 0.00 C ATOM 122 C SER A 11 -2.077 -5.615 3.763 1.00 0.00 C ATOM 123 O SER A 11 -0.886 -5.863 3.958 1.00 0.00 O ATOM 124 CB SER A 11 -3.717 -7.504 3.744 1.00 0.00 C ATOM 125 OG SER A 11 -4.929 -7.881 3.114 1.00 0.00 O ATOM 0 H SER A 11 -2.000 -8.234 2.112 1.00 0.00 H new ATOM 0 HA SER A 11 -3.630 -5.895 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.111 -8.390 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.932 -7.051 4.712 1.00 0.00 H new ATOM 0 HG SER A 11 -4.732 -8.444 2.336 1.00 0.00 H new ATOM 131 N VAL A 12 -2.694 -4.566 4.297 1.00 0.00 N ATOM 132 CA VAL A 12 -1.993 -3.626 5.163 1.00 0.00 C ATOM 133 C VAL A 12 -2.856 -3.227 6.355 1.00 0.00 C ATOM 134 O VAL A 12 -4.074 -3.410 6.342 1.00 0.00 O ATOM 135 CB VAL A 12 -1.580 -2.356 4.395 1.00 0.00 C ATOM 136 CG1 VAL A 12 -1.096 -1.283 5.358 1.00 0.00 C ATOM 137 CG2 VAL A 12 -0.509 -2.682 3.365 1.00 0.00 C ATOM 0 H VAL A 12 -3.678 -4.346 4.145 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.097 -4.134 5.521 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.453 -1.970 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.809 -0.394 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.896 -1.031 6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.236 -1.655 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.229 -1.774 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.367 -3.092 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.896 -3.414 2.656 1.00 0.00 H new ATOM 147 N HIS A 13 -2.218 -2.680 7.384 1.00 0.00 N ATOM 148 CA HIS A 13 -2.928 -2.254 8.585 1.00 0.00 C ATOM 149 C HIS A 13 -3.222 -0.757 8.540 1.00 0.00 C ATOM 150 O HIS A 13 -2.307 0.065 8.555 1.00 0.00 O ATOM 151 CB HIS A 13 -2.108 -2.586 9.833 1.00 0.00 C ATOM 152 CG HIS A 13 -2.175 -4.030 10.226 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.334 -4.640 10.658 1.00 0.00 N ATOM 154 CD2 HIS A 13 -1.217 -4.986 10.248 1.00 0.00 C ATOM 155 CE1 HIS A 13 -3.086 -5.908 10.931 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.809 -6.144 10.690 1.00 0.00 N ATOM 0 H HIS A 13 -1.211 -2.521 7.411 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.875 -2.792 8.627 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.067 -2.314 9.657 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.462 -1.975 10.663 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.181 -4.862 9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.805 -6.629 11.290 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.339 -7.041 10.812 1.00 0.00 H new ATOM 164 N GLN A 14 -4.505 -0.413 8.483 1.00 0.00 N ATOM 165 CA GLN A 14 -4.919 0.984 8.433 1.00 0.00 C ATOM 166 C GLN A 14 -4.433 1.739 9.666 1.00 0.00 C ATOM 167 O GLN A 14 -4.138 1.153 10.707 1.00 0.00 O ATOM 168 CB GLN A 14 -6.442 1.083 8.327 1.00 0.00 C ATOM 169 CG GLN A 14 -6.990 0.609 6.990 1.00 0.00 C ATOM 170 CD GLN A 14 -7.150 1.738 5.992 1.00 0.00 C ATOM 171 OE1 GLN A 14 -6.196 2.458 5.693 1.00 0.00 O ATOM 172 NE2 GLN A 14 -8.359 1.900 5.468 1.00 0.00 N ATOM 0 H GLN A 14 -5.275 -1.082 8.470 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.470 1.439 7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.893 0.493 9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.743 2.118 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.322 -0.146 6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.956 0.128 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.121 1.281 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.525 2.643 4.790 1.00 0.00 H new ATOM 181 N PRO A 15 -4.348 3.073 9.548 1.00 0.00 N ATOM 182 CA PRO A 15 -4.697 3.782 8.313 1.00 0.00 C ATOM 183 C PRO A 15 -3.697 3.521 7.192 1.00 0.00 C ATOM 184 O PRO A 15 -4.064 3.480 6.018 1.00 0.00 O ATOM 185 CB PRO A 15 -4.662 5.255 8.728 1.00 0.00 C ATOM 186 CG PRO A 15 -3.730 5.299 9.890 1.00 0.00 C ATOM 187 CD PRO A 15 -3.904 3.991 10.610 1.00 0.00 C ATOM 0 HA PRO A 15 -5.659 3.459 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.309 5.888 7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.654 5.613 9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.700 5.428 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.962 6.139 10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.972 3.657 11.066 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.641 4.067 11.409 1.00 0.00 H new ATOM 195 N TRP A 16 -2.434 3.344 7.562 1.00 0.00 N ATOM 196 CA TRP A 16 -1.381 3.086 6.587 1.00 0.00 C ATOM 197 C TRP A 16 -1.954 2.459 5.320 1.00 0.00 C ATOM 198 O TRP A 16 -1.783 2.989 4.223 1.00 0.00 O ATOM 199 CB TRP A 16 -0.315 2.168 7.187 1.00 0.00 C ATOM 200 CG TRP A 16 0.497 2.825 8.262 1.00 0.00 C ATOM 201 CD1 TRP A 16 1.524 3.709 8.090 1.00 0.00 C ATOM 202 CD2 TRP A 16 0.351 2.648 9.675 1.00 0.00 C ATOM 203 NE1 TRP A 16 2.024 4.092 9.311 1.00 0.00 N ATOM 204 CE2 TRP A 16 1.321 3.456 10.299 1.00 0.00 C ATOM 205 CE3 TRP A 16 -0.507 1.887 10.475 1.00 0.00 C ATOM 206 CZ2 TRP A 16 1.457 3.522 11.683 1.00 0.00 C ATOM 207 CZ3 TRP A 16 -0.371 1.953 11.848 1.00 0.00 C ATOM 208 CH2 TRP A 16 0.604 2.767 12.442 1.00 0.00 C ATOM 0 H TRP A 16 -2.114 3.374 8.530 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.923 4.039 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.798 1.281 7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 16 0.351 1.830 6.394 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.889 4.056 7.135 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.794 4.744 9.458 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.263 1.259 10.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 2.209 4.147 12.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -1.027 1.367 12.475 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.683 2.799 13.519 1.00 0.00 H new ATOM 219 N ALA A 17 -2.635 1.329 5.480 1.00 0.00 N ATOM 220 CA ALA A 17 -3.234 0.632 4.349 1.00 0.00 C ATOM 221 C ALA A 17 -3.714 1.617 3.289 1.00 0.00 C ATOM 222 O ALA A 17 -3.350 1.510 2.118 1.00 0.00 O ATOM 223 CB ALA A 17 -4.387 -0.243 4.820 1.00 0.00 C ATOM 0 H ALA A 17 -2.785 0.877 6.382 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.471 -0.002 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.826 -0.758 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.018 -0.977 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.145 0.379 5.297 1.00 0.00 H new ATOM 229 N SER A 18 -4.534 2.577 3.707 1.00 0.00 N ATOM 230 CA SER A 18 -5.067 3.579 2.791 1.00 0.00 C ATOM 231 C SER A 18 -3.986 4.577 2.389 1.00 0.00 C ATOM 232 O SER A 18 -3.776 4.839 1.204 1.00 0.00 O ATOM 233 CB SER A 18 -6.243 4.315 3.436 1.00 0.00 C ATOM 234 OG SER A 18 -7.470 3.667 3.149 1.00 0.00 O ATOM 0 H SER A 18 -4.843 2.682 4.673 1.00 0.00 H new ATOM 0 HA SER A 18 -5.416 3.067 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.098 4.364 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.277 5.342 3.072 1.00 0.00 H new ATOM 0 HG SER A 18 -8.215 4.236 3.435 1.00 0.00 H new ATOM 240 N LEU A 19 -3.303 5.132 3.384 1.00 0.00 N ATOM 241 CA LEU A 19 -2.243 6.103 3.136 1.00 0.00 C ATOM 242 C LEU A 19 -1.397 5.691 1.936 1.00 0.00 C ATOM 243 O LEU A 19 -0.890 6.538 1.199 1.00 0.00 O ATOM 244 CB LEU A 19 -1.355 6.246 4.374 1.00 0.00 C ATOM 245 CG LEU A 19 -1.955 7.030 5.542 1.00 0.00 C ATOM 246 CD1 LEU A 19 -0.993 7.051 6.720 1.00 0.00 C ATOM 247 CD2 LEU A 19 -2.304 8.447 5.111 1.00 0.00 C ATOM 0 H LEU A 19 -3.464 4.926 4.370 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.709 7.064 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.095 5.248 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.425 6.731 4.076 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.872 6.532 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.436 7.613 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.793 6.030 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.059 7.525 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.730 8.990 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.403 8.956 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.030 8.412 4.299 1.00 0.00 H new ATOM 259 N LEU A 20 -1.251 4.385 1.742 1.00 0.00 N ATOM 260 CA LEU A 20 -0.468 3.859 0.629 1.00 0.00 C ATOM 261 C LEU A 20 -1.110 4.222 -0.707 1.00 0.00 C ATOM 262 O LEU A 20 -0.571 5.024 -1.469 1.00 0.00 O ATOM 263 CB LEU A 20 -0.334 2.340 0.746 1.00 0.00 C ATOM 264 CG LEU A 20 0.788 1.834 1.655 1.00 0.00 C ATOM 265 CD1 LEU A 20 0.374 1.924 3.115 1.00 0.00 C ATOM 266 CD2 LEU A 20 1.164 0.405 1.292 1.00 0.00 C ATOM 0 H LEU A 20 -1.665 3.671 2.341 1.00 0.00 H new ATOM 0 HA LEU A 20 0.524 4.309 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.279 1.939 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.178 1.931 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 20 1.663 2.467 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.185 1.560 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.155 2.961 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.515 1.315 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.963 0.061 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.294 -0.241 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.504 0.370 0.257 1.00 0.00 H new ATOM 278 N VAL A 21 -2.266 3.627 -0.983 1.00 0.00 N ATOM 279 CA VAL A 21 -2.984 3.890 -2.225 1.00 0.00 C ATOM 280 C VAL A 21 -3.366 5.361 -2.338 1.00 0.00 C ATOM 281 O VAL A 21 -3.699 5.845 -3.419 1.00 0.00 O ATOM 282 CB VAL A 21 -4.257 3.030 -2.330 1.00 0.00 C ATOM 283 CG1 VAL A 21 -3.925 1.558 -2.134 1.00 0.00 C ATOM 284 CG2 VAL A 21 -5.296 3.490 -1.319 1.00 0.00 C ATOM 0 H VAL A 21 -2.726 2.960 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.310 3.629 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.676 3.153 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.837 0.966 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.219 1.239 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.481 1.413 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.189 2.871 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.889 3.398 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.556 4.531 -1.512 1.00 0.00 H new ATOM 294 N ARG A 22 -3.316 6.068 -1.213 1.00 0.00 N ATOM 295 CA ARG A 22 -3.659 7.484 -1.185 1.00 0.00 C ATOM 296 C ARG A 22 -2.521 8.330 -1.749 1.00 0.00 C ATOM 297 O ARG A 22 -2.753 9.305 -2.463 1.00 0.00 O ATOM 298 CB ARG A 22 -3.976 7.926 0.245 1.00 0.00 C ATOM 299 CG ARG A 22 -5.310 7.409 0.760 1.00 0.00 C ATOM 300 CD ARG A 22 -6.448 8.353 0.404 1.00 0.00 C ATOM 301 NE ARG A 22 -7.717 7.646 0.252 1.00 0.00 N ATOM 302 CZ ARG A 22 -8.864 8.250 -0.039 1.00 0.00 C ATOM 303 NH1 ARG A 22 -8.901 9.565 -0.208 1.00 0.00 N ATOM 304 NH2 ARG A 22 -9.977 7.539 -0.161 1.00 0.00 N ATOM 0 H ARG A 22 -3.041 5.683 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.542 7.630 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.182 7.581 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.977 9.015 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.507 6.424 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.261 7.288 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.546 9.112 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.210 8.875 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.723 6.634 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.047 10.115 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.783 10.026 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.953 6.528 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.857 8.004 -0.384 1.00 0.00 H new ATOM 318 N GLY A 23 -1.289 7.949 -1.423 1.00 0.00 N ATOM 319 CA GLY A 23 -0.134 8.683 -1.905 1.00 0.00 C ATOM 320 C GLY A 23 0.726 9.217 -0.776 1.00 0.00 C ATOM 321 O GLY A 23 1.611 10.043 -0.999 1.00 0.00 O ATOM 0 H GLY A 23 -1.071 7.145 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.468 8.032 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.469 9.513 -2.527 1.00 0.00 H new ATOM 325 N ILE A 24 0.465 8.745 0.438 1.00 0.00 N ATOM 326 CA ILE A 24 1.222 9.181 1.605 1.00 0.00 C ATOM 327 C ILE A 24 2.316 8.178 1.956 1.00 0.00 C ATOM 328 O ILE A 24 3.471 8.551 2.165 1.00 0.00 O ATOM 329 CB ILE A 24 0.307 9.374 2.829 1.00 0.00 C ATOM 330 CG1 ILE A 24 -0.764 10.425 2.531 1.00 0.00 C ATOM 331 CG2 ILE A 24 1.128 9.777 4.045 1.00 0.00 C ATOM 332 CD1 ILE A 24 -2.031 9.846 1.940 1.00 0.00 C ATOM 0 H ILE A 24 -0.264 8.061 0.639 1.00 0.00 H new ATOM 0 HA ILE A 24 1.677 10.137 1.347 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.189 8.428 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.011 10.952 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.355 11.163 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.468 9.910 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.857 8.998 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.648 10.713 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.745 10.648 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.798 9.343 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.463 9.129 2.638 1.00 0.00 H new ATOM 344 N LYS A 25 1.946 6.904 2.018 1.00 0.00 N ATOM 345 CA LYS A 25 2.896 5.845 2.341 1.00 0.00 C ATOM 346 C LYS A 25 3.564 5.311 1.078 1.00 0.00 C ATOM 347 O LYS A 25 2.901 4.757 0.201 1.00 0.00 O ATOM 348 CB LYS A 25 2.189 4.705 3.078 1.00 0.00 C ATOM 349 CG LYS A 25 3.138 3.648 3.615 1.00 0.00 C ATOM 350 CD LYS A 25 3.605 3.981 5.023 1.00 0.00 C ATOM 351 CE LYS A 25 3.770 2.726 5.866 1.00 0.00 C ATOM 352 NZ LYS A 25 4.779 2.912 6.945 1.00 0.00 N ATOM 0 H LYS A 25 0.994 6.579 1.849 1.00 0.00 H new ATOM 0 HA LYS A 25 3.666 6.266 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.614 5.120 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.477 4.232 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.641 2.678 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.001 3.564 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.553 4.516 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.886 4.648 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.811 2.457 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.071 1.896 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.589 2.242 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.731 2.740 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.723 3.885 7.309 1.00 0.00 H new ATOM 366 N ARG A 26 4.879 5.479 0.994 1.00 0.00 N ATOM 367 CA ARG A 26 5.637 5.013 -0.162 1.00 0.00 C ATOM 368 C ARG A 26 6.348 3.699 0.148 1.00 0.00 C ATOM 369 O ARG A 26 6.939 3.078 -0.735 1.00 0.00 O ATOM 370 CB ARG A 26 6.658 6.070 -0.589 1.00 0.00 C ATOM 371 CG ARG A 26 7.941 5.483 -1.154 1.00 0.00 C ATOM 372 CD ARG A 26 9.002 6.554 -1.355 1.00 0.00 C ATOM 373 NE ARG A 26 8.949 7.132 -2.695 1.00 0.00 N ATOM 374 CZ ARG A 26 9.426 8.335 -2.995 1.00 0.00 C ATOM 375 NH1 ARG A 26 9.988 9.083 -2.055 1.00 0.00 N ATOM 376 NH2 ARG A 26 9.341 8.793 -4.237 1.00 0.00 N ATOM 0 H ARG A 26 5.442 5.934 1.712 1.00 0.00 H new ATOM 0 HA ARG A 26 4.937 4.843 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.205 6.719 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.902 6.696 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.320 4.716 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.731 4.994 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.866 7.342 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.989 6.123 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 26 8.523 6.582 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.055 8.735 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.353 10.006 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.909 8.221 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.708 9.717 -4.466 1.00 0.00 H new ATOM 390 N VAL A 27 6.287 3.282 1.409 1.00 0.00 N ATOM 391 CA VAL A 27 6.924 2.042 1.836 1.00 0.00 C ATOM 392 C VAL A 27 5.980 1.207 2.694 1.00 0.00 C ATOM 393 O VAL A 27 5.028 1.728 3.273 1.00 0.00 O ATOM 394 CB VAL A 27 8.214 2.319 2.631 1.00 0.00 C ATOM 395 CG1 VAL A 27 9.181 3.155 1.807 1.00 0.00 C ATOM 396 CG2 VAL A 27 7.889 3.008 3.949 1.00 0.00 C ATOM 0 H VAL A 27 5.803 3.785 2.153 1.00 0.00 H new ATOM 0 HA VAL A 27 7.175 1.487 0.932 1.00 0.00 H new ATOM 0 HB VAL A 27 8.695 1.366 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.086 3.340 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.438 2.619 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.713 4.106 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.811 3.196 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.385 3.954 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.237 2.368 4.543 1.00 0.00 H new ATOM 406 N GLU A 28 6.252 -0.092 2.769 1.00 0.00 N ATOM 407 CA GLU A 28 5.426 -1.000 3.557 1.00 0.00 C ATOM 408 C GLU A 28 6.279 -1.796 4.541 1.00 0.00 C ATOM 409 O GLU A 28 7.238 -2.461 4.151 1.00 0.00 O ATOM 410 CB GLU A 28 4.662 -1.956 2.638 1.00 0.00 C ATOM 411 CG GLU A 28 3.285 -2.330 3.159 1.00 0.00 C ATOM 412 CD GLU A 28 3.203 -2.290 4.673 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.760 -3.201 5.321 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.583 -1.349 5.210 1.00 0.00 O ATOM 0 H GLU A 28 7.037 -0.539 2.295 1.00 0.00 H new ATOM 0 HA GLU A 28 4.712 -0.402 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.557 -1.496 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.249 -2.864 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.545 -1.648 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.029 -3.331 2.811 1.00 0.00 H new ATOM 421 N GLY A 29 5.921 -1.723 5.819 1.00 0.00 N ATOM 422 CA GLY A 29 6.663 -2.440 6.840 1.00 0.00 C ATOM 423 C GLY A 29 6.182 -3.867 7.012 1.00 0.00 C ATOM 424 O GLY A 29 4.987 -4.109 7.183 1.00 0.00 O ATOM 0 H GLY A 29 5.130 -1.180 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.721 -2.446 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.572 -1.912 7.789 1.00 0.00 H new ATOM 428 N ARG A 30 7.113 -4.814 6.964 1.00 0.00 N ATOM 429 CA ARG A 30 6.776 -6.224 7.113 1.00 0.00 C ATOM 430 C ARG A 30 7.908 -6.984 7.800 1.00 0.00 C ATOM 431 O ARG A 30 9.081 -6.650 7.637 1.00 0.00 O ATOM 432 CB ARG A 30 6.485 -6.848 5.747 1.00 0.00 C ATOM 433 CG ARG A 30 5.096 -6.531 5.217 1.00 0.00 C ATOM 434 CD ARG A 30 4.018 -6.887 6.229 1.00 0.00 C ATOM 435 NE ARG A 30 2.747 -7.205 5.585 1.00 0.00 N ATOM 436 CZ ARG A 30 1.596 -7.307 6.241 1.00 0.00 C ATOM 437 NH1 ARG A 30 1.558 -7.117 7.552 1.00 0.00 N ATOM 438 NH2 ARG A 30 0.481 -7.601 5.584 1.00 0.00 N ATOM 0 H ARG A 30 8.106 -4.630 6.823 1.00 0.00 H new ATOM 0 HA ARG A 30 5.884 -6.294 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.227 -6.496 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.599 -7.930 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.032 -5.470 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.924 -7.081 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.346 -7.739 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.877 -6.053 6.917 1.00 0.00 H new ATOM 0 HE ARG A 30 2.742 -7.357 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.414 -6.892 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.673 -7.196 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.507 -7.749 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.402 -7.679 6.088 1.00 0.00 H new ATOM 452 N SER A 31 7.546 -8.006 8.568 1.00 0.00 N ATOM 453 CA SER A 31 8.530 -8.811 9.283 1.00 0.00 C ATOM 454 C SER A 31 9.082 -9.916 8.388 1.00 0.00 C ATOM 455 O SER A 31 9.667 -10.886 8.871 1.00 0.00 O ATOM 456 CB SER A 31 7.906 -9.420 10.540 1.00 0.00 C ATOM 457 OG SER A 31 6.847 -10.301 10.208 1.00 0.00 O ATOM 0 H SER A 31 6.579 -8.297 8.711 1.00 0.00 H new ATOM 0 HA SER A 31 9.353 -8.159 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.668 -9.958 11.104 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.533 -8.625 11.186 1.00 0.00 H new ATOM 0 HG SER A 31 6.466 -10.678 11.028 1.00 0.00 H new ATOM 463 N TRP A 32 8.891 -9.763 7.083 1.00 0.00 N ATOM 464 CA TRP A 32 9.369 -10.748 6.120 1.00 0.00 C ATOM 465 C TRP A 32 9.882 -10.068 4.855 1.00 0.00 C ATOM 466 O TRP A 32 9.604 -8.893 4.615 1.00 0.00 O ATOM 467 CB TRP A 32 8.251 -11.731 5.768 1.00 0.00 C ATOM 468 CG TRP A 32 6.898 -11.090 5.694 1.00 0.00 C ATOM 469 CD1 TRP A 32 6.092 -10.755 6.744 1.00 0.00 C ATOM 470 CD2 TRP A 32 6.193 -10.711 4.507 1.00 0.00 C ATOM 471 NE1 TRP A 32 4.928 -10.189 6.281 1.00 0.00 N ATOM 472 CE2 TRP A 32 4.966 -10.150 4.912 1.00 0.00 C ATOM 473 CE3 TRP A 32 6.480 -10.788 3.141 1.00 0.00 C ATOM 474 CZ2 TRP A 32 4.029 -9.672 4.000 1.00 0.00 C ATOM 475 CZ3 TRP A 32 5.549 -10.314 2.237 1.00 0.00 C ATOM 476 CH2 TRP A 32 4.336 -9.760 2.669 1.00 0.00 C ATOM 0 H TRP A 32 8.408 -8.966 6.667 1.00 0.00 H new ATOM 0 HA TRP A 32 10.194 -11.295 6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.477 -12.199 4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.228 -12.526 6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.333 -10.912 7.785 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.160 -9.853 6.862 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.413 -11.211 2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.093 -9.247 4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 5.759 -10.371 1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.630 -9.396 1.937 1.00 0.00 H new ATOM 487 N TYR A 33 10.630 -10.814 4.050 1.00 0.00 N ATOM 488 CA TYR A 33 11.184 -10.281 2.811 1.00 0.00 C ATOM 489 C TYR A 33 10.440 -10.836 1.600 1.00 0.00 C ATOM 490 O TYR A 33 10.098 -12.018 1.553 1.00 0.00 O ATOM 491 CB TYR A 33 12.673 -10.618 2.707 1.00 0.00 C ATOM 492 CG TYR A 33 13.389 -9.860 1.612 1.00 0.00 C ATOM 493 CD1 TYR A 33 13.058 -10.050 0.276 1.00 0.00 C ATOM 494 CD2 TYR A 33 14.399 -8.954 1.914 1.00 0.00 C ATOM 495 CE1 TYR A 33 13.710 -9.361 -0.727 1.00 0.00 C ATOM 496 CE2 TYR A 33 15.056 -8.259 0.917 1.00 0.00 C ATOM 497 CZ TYR A 33 14.708 -8.466 -0.402 1.00 0.00 C ATOM 498 OH TYR A 33 15.361 -7.776 -1.398 1.00 0.00 O ATOM 0 H TYR A 33 10.867 -11.789 4.233 1.00 0.00 H new ATOM 0 HA TYR A 33 11.064 -9.198 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 33 13.154 -10.402 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 33 12.784 -11.688 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.277 -10.749 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.675 -8.791 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.440 -9.522 -1.760 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.838 -7.558 1.169 1.00 0.00 H new ATOM 0 HH TYR A 33 15.272 -6.813 -1.241 1.00 0.00 H new ATOM 508 N THR A 34 10.192 -9.972 0.620 1.00 0.00 N ATOM 509 CA THR A 34 9.489 -10.373 -0.592 1.00 0.00 C ATOM 510 C THR A 34 10.188 -9.838 -1.836 1.00 0.00 C ATOM 511 O THR A 34 10.063 -8.666 -2.193 1.00 0.00 O ATOM 512 CB THR A 34 8.030 -9.878 -0.585 1.00 0.00 C ATOM 513 OG1 THR A 34 7.372 -10.276 -1.792 1.00 0.00 O ATOM 514 CG2 THR A 34 7.973 -8.364 -0.445 1.00 0.00 C ATOM 0 H THR A 34 10.468 -8.990 0.642 1.00 0.00 H new ATOM 0 HA THR A 34 9.496 -11.463 -0.615 1.00 0.00 H new ATOM 0 HB THR A 34 7.522 -10.325 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.239 -11.247 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.933 -8.038 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.449 -8.067 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.496 -7.901 -1.282 1.00 0.00 H new ATOM 522 N PRO A 35 10.943 -10.715 -2.515 1.00 0.00 N ATOM 523 CA PRO A 35 11.677 -10.353 -3.731 1.00 0.00 C ATOM 524 C PRO A 35 10.749 -10.090 -4.912 1.00 0.00 C ATOM 525 O PRO A 35 11.202 -9.895 -6.040 1.00 0.00 O ATOM 526 CB PRO A 35 12.548 -11.583 -3.999 1.00 0.00 C ATOM 527 CG PRO A 35 11.819 -12.711 -3.354 1.00 0.00 C ATOM 528 CD PRO A 35 11.138 -12.127 -2.147 1.00 0.00 C ATOM 0 HA PRO A 35 12.244 -9.431 -3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.675 -11.753 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.545 -11.462 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.092 -13.148 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.506 -13.507 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.190 -12.623 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.751 -12.228 -1.252 1.00 0.00 H new ATOM 536 N HIS A 36 9.446 -10.085 -4.645 1.00 0.00 N ATOM 537 CA HIS A 36 8.454 -9.844 -5.686 1.00 0.00 C ATOM 538 C HIS A 36 8.586 -8.432 -6.247 1.00 0.00 C ATOM 539 O HIS A 36 8.258 -7.453 -5.575 1.00 0.00 O ATOM 540 CB HIS A 36 7.043 -10.056 -5.134 1.00 0.00 C ATOM 541 CG HIS A 36 5.983 -9.336 -5.908 1.00 0.00 C ATOM 542 ND1 HIS A 36 5.318 -9.899 -6.977 1.00 0.00 N ATOM 543 CD2 HIS A 36 5.472 -8.091 -5.763 1.00 0.00 C ATOM 544 CE1 HIS A 36 4.445 -9.031 -7.456 1.00 0.00 C ATOM 545 NE2 HIS A 36 4.518 -7.926 -6.737 1.00 0.00 N ATOM 0 H HIS A 36 9.054 -10.245 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 36 8.631 -10.554 -6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.819 -11.123 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.014 -9.723 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.761 -7.363 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.784 -9.197 -8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.957 -7.086 -6.881 1.00 0.00 H new ATOM 553 N ARG A 37 9.069 -8.333 -7.481 1.00 0.00 N ATOM 554 CA ARG A 37 9.247 -7.040 -8.131 1.00 0.00 C ATOM 555 C ARG A 37 8.168 -6.809 -9.185 1.00 0.00 C ATOM 556 O ARG A 37 8.126 -7.492 -10.207 1.00 0.00 O ATOM 557 CB ARG A 37 10.631 -6.956 -8.777 1.00 0.00 C ATOM 558 CG ARG A 37 11.773 -7.191 -7.802 1.00 0.00 C ATOM 559 CD ARG A 37 11.895 -6.053 -6.802 1.00 0.00 C ATOM 560 NE ARG A 37 12.643 -6.447 -5.611 1.00 0.00 N ATOM 561 CZ ARG A 37 12.076 -6.946 -4.519 1.00 0.00 C ATOM 562 NH1 ARG A 37 10.762 -7.111 -4.466 1.00 0.00 N ATOM 563 NH2 ARG A 37 12.824 -7.282 -3.476 1.00 0.00 N ATOM 0 H ARG A 37 9.344 -9.133 -8.051 1.00 0.00 H new ATOM 0 HA ARG A 37 9.161 -6.264 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.693 -7.690 -9.580 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.751 -5.974 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.611 -8.128 -7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.708 -7.294 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.390 -5.205 -7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.899 -5.719 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 37 13.657 -6.333 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.183 -6.854 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.330 -7.495 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.836 -7.157 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.387 -7.665 -2.638 1.00 0.00 H new ATOM 577 N GLY A 38 7.295 -5.839 -8.927 1.00 0.00 N ATOM 578 CA GLY A 38 6.227 -5.535 -9.861 1.00 0.00 C ATOM 579 C GLY A 38 5.038 -4.877 -9.189 1.00 0.00 C ATOM 580 O GLY A 38 5.187 -4.208 -8.166 1.00 0.00 O ATOM 0 H GLY A 38 7.309 -5.259 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.608 -4.878 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.902 -6.454 -10.348 1.00 0.00 H new ATOM 584 N ARG A 39 3.855 -5.067 -9.764 1.00 0.00 N ATOM 585 CA ARG A 39 2.636 -4.485 -9.216 1.00 0.00 C ATOM 586 C ARG A 39 2.127 -5.305 -8.034 1.00 0.00 C ATOM 587 O ARG A 39 2.225 -6.533 -8.028 1.00 0.00 O ATOM 588 CB ARG A 39 1.556 -4.400 -10.295 1.00 0.00 C ATOM 589 CG ARG A 39 0.434 -3.431 -9.958 1.00 0.00 C ATOM 590 CD ARG A 39 -0.847 -3.783 -10.699 1.00 0.00 C ATOM 591 NE ARG A 39 -0.823 -3.319 -12.084 1.00 0.00 N ATOM 592 CZ ARG A 39 -1.917 -3.094 -12.803 1.00 0.00 C ATOM 593 NH1 ARG A 39 -3.116 -3.290 -12.271 1.00 0.00 N ATOM 594 NH2 ARG A 39 -1.814 -2.673 -14.057 1.00 0.00 N ATOM 0 H ARG A 39 3.715 -5.620 -10.610 1.00 0.00 H new ATOM 0 HA ARG A 39 2.868 -3.479 -8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.017 -4.097 -11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.133 -5.392 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.250 -3.445 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.738 -2.417 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.991 -4.863 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.698 -3.339 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 39 0.084 -3.159 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.200 -3.614 -11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.954 -3.116 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.894 -2.522 -14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.655 -2.501 -14.608 1.00 0.00 H new ATOM 608 N LEU A 40 1.582 -4.618 -7.035 1.00 0.00 N ATOM 609 CA LEU A 40 1.057 -5.283 -5.847 1.00 0.00 C ATOM 610 C LEU A 40 -0.191 -4.572 -5.333 1.00 0.00 C ATOM 611 O LEU A 40 -0.128 -3.422 -4.899 1.00 0.00 O ATOM 612 CB LEU A 40 2.122 -5.325 -4.750 1.00 0.00 C ATOM 613 CG LEU A 40 1.812 -6.219 -3.549 1.00 0.00 C ATOM 614 CD1 LEU A 40 1.607 -7.659 -3.994 1.00 0.00 C ATOM 615 CD2 LEU A 40 2.928 -6.132 -2.517 1.00 0.00 C ATOM 0 H LEU A 40 1.492 -3.602 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 40 0.786 -6.303 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.060 -5.659 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.284 -4.309 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 40 0.889 -5.868 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.387 -8.280 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.774 -7.708 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.512 -8.022 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.690 -6.775 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.866 -6.457 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.028 -5.102 -2.175 1.00 0.00 H new ATOM 627 N TRP A 41 -1.323 -5.265 -5.385 1.00 0.00 N ATOM 628 CA TRP A 41 -2.586 -4.701 -4.922 1.00 0.00 C ATOM 629 C TRP A 41 -2.604 -4.580 -3.402 1.00 0.00 C ATOM 630 O TRP A 41 -2.389 -5.561 -2.690 1.00 0.00 O ATOM 631 CB TRP A 41 -3.757 -5.566 -5.391 1.00 0.00 C ATOM 632 CG TRP A 41 -3.901 -5.612 -6.882 1.00 0.00 C ATOM 633 CD1 TRP A 41 -3.409 -6.569 -7.724 1.00 0.00 C ATOM 634 CD2 TRP A 41 -4.581 -4.660 -7.707 1.00 0.00 C ATOM 635 NE1 TRP A 41 -3.742 -6.269 -9.023 1.00 0.00 N ATOM 636 CE2 TRP A 41 -4.462 -5.104 -9.039 1.00 0.00 C ATOM 637 CE3 TRP A 41 -5.281 -3.479 -7.451 1.00 0.00 C ATOM 638 CZ2 TRP A 41 -5.016 -4.404 -10.108 1.00 0.00 C ATOM 639 CZ3 TRP A 41 -5.830 -2.786 -8.513 1.00 0.00 C ATOM 640 CH2 TRP A 41 -5.696 -3.250 -9.828 1.00 0.00 C ATOM 0 H TRP A 41 -1.392 -6.218 -5.743 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.687 -3.703 -5.348 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.624 -6.580 -5.014 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.680 -5.183 -4.956 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.842 -7.434 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.493 -6.824 -9.842 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.391 -3.114 -6.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.913 -4.760 -11.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.372 -1.871 -8.326 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.138 -2.686 -10.636 1.00 0.00 H new ATOM 651 N ILE A 42 -2.861 -3.372 -2.912 1.00 0.00 N ATOM 652 CA ILE A 42 -2.908 -3.125 -1.476 1.00 0.00 C ATOM 653 C ILE A 42 -4.345 -3.119 -0.966 1.00 0.00 C ATOM 654 O ILE A 42 -5.178 -2.344 -1.436 1.00 0.00 O ATOM 655 CB ILE A 42 -2.241 -1.785 -1.114 1.00 0.00 C ATOM 656 CG1 ILE A 42 -0.783 -1.774 -1.579 1.00 0.00 C ATOM 657 CG2 ILE A 42 -2.325 -1.540 0.386 1.00 0.00 C ATOM 658 CD1 ILE A 42 0.058 -2.867 -0.958 1.00 0.00 C ATOM 0 H ILE A 42 -3.040 -2.549 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.359 -3.936 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.772 -0.982 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.755 -1.878 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.341 -0.807 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.849 -0.589 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.371 -1.510 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.815 -2.345 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.079 -2.798 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.061 -2.752 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.359 -3.840 -1.219 1.00 0.00 H new ATOM 670 N ALA A 43 -4.628 -3.987 -0.001 1.00 0.00 N ATOM 671 CA ALA A 43 -5.964 -4.079 0.576 1.00 0.00 C ATOM 672 C ALA A 43 -5.940 -3.765 2.068 1.00 0.00 C ATOM 673 O ALA A 43 -4.945 -4.015 2.749 1.00 0.00 O ATOM 674 CB ALA A 43 -6.549 -5.462 0.335 1.00 0.00 C ATOM 0 H ALA A 43 -3.950 -4.637 0.398 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.596 -3.339 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.546 -5.516 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.611 -5.649 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.909 -6.213 0.798 1.00 0.00 H new ATOM 680 N ALA A 44 -7.041 -3.216 2.571 1.00 0.00 N ATOM 681 CA ALA A 44 -7.146 -2.870 3.983 1.00 0.00 C ATOM 682 C ALA A 44 -7.520 -4.088 4.820 1.00 0.00 C ATOM 683 O ALA A 44 -8.538 -4.736 4.574 1.00 0.00 O ATOM 684 CB ALA A 44 -8.167 -1.759 4.179 1.00 0.00 C ATOM 0 H ALA A 44 -7.873 -3.001 2.021 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.171 -2.516 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.235 -1.510 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.857 -0.877 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.141 -2.093 3.821 1.00 0.00 H new ATOM 690 N THR A 45 -6.689 -4.396 5.812 1.00 0.00 N ATOM 691 CA THR A 45 -6.931 -5.537 6.685 1.00 0.00 C ATOM 692 C THR A 45 -8.267 -5.404 7.407 1.00 0.00 C ATOM 693 O THR A 45 -9.031 -4.474 7.151 1.00 0.00 O ATOM 694 CB THR A 45 -5.810 -5.694 7.729 1.00 0.00 C ATOM 695 OG1 THR A 45 -5.588 -4.449 8.400 1.00 0.00 O ATOM 696 CG2 THR A 45 -4.519 -6.158 7.072 1.00 0.00 C ATOM 0 H THR A 45 -5.843 -3.870 6.030 1.00 0.00 H new ATOM 0 HA THR A 45 -6.951 -6.422 6.049 1.00 0.00 H new ATOM 0 HB THR A 45 -6.122 -6.447 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.915 -4.571 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.742 -6.262 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.683 -7.120 6.587 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.205 -5.425 6.328 1.00 0.00 H new ATOM 704 N ALA A 46 -8.543 -6.340 8.310 1.00 0.00 N ATOM 705 CA ALA A 46 -9.786 -6.324 9.070 1.00 0.00 C ATOM 706 C ALA A 46 -9.648 -5.476 10.330 1.00 0.00 C ATOM 707 O ALA A 46 -10.611 -5.291 11.075 1.00 0.00 O ATOM 708 CB ALA A 46 -10.202 -7.743 9.430 1.00 0.00 C ATOM 0 H ALA A 46 -7.922 -7.118 8.532 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.560 -5.877 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.132 -7.717 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.350 -8.321 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.422 -8.209 10.033 1.00 0.00 H new ATOM 714 N LYS A 47 -8.445 -4.963 10.564 1.00 0.00 N ATOM 715 CA LYS A 47 -8.180 -4.134 11.734 1.00 0.00 C ATOM 716 C LYS A 47 -8.631 -2.697 11.495 1.00 0.00 C ATOM 717 O LYS A 47 -8.370 -2.120 10.439 1.00 0.00 O ATOM 718 CB LYS A 47 -6.689 -4.162 12.077 1.00 0.00 C ATOM 719 CG LYS A 47 -6.289 -3.144 13.131 1.00 0.00 C ATOM 720 CD LYS A 47 -4.819 -2.775 13.020 1.00 0.00 C ATOM 721 CE LYS A 47 -4.617 -1.543 12.150 1.00 0.00 C ATOM 722 NZ LYS A 47 -3.480 -0.708 12.626 1.00 0.00 N ATOM 0 H LYS A 47 -7.637 -5.107 9.958 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.747 -4.539 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.424 -5.159 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.112 -3.980 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.899 -2.247 13.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.490 -3.548 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.413 -2.590 14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.263 -3.613 12.600 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.435 -1.851 11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.529 -0.947 12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.343 0.094 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.688 -0.350 13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.614 -1.283 12.653 1.00 0.00 H new ATOM 736 N LYS A 48 -9.308 -2.122 12.483 1.00 0.00 N ATOM 737 CA LYS A 48 -9.793 -0.750 12.382 1.00 0.00 C ATOM 738 C LYS A 48 -8.779 0.229 12.965 1.00 0.00 C ATOM 739 O LYS A 48 -8.299 0.069 14.087 1.00 0.00 O ATOM 740 CB LYS A 48 -11.132 -0.607 13.108 1.00 0.00 C ATOM 741 CG LYS A 48 -11.003 -0.561 14.621 1.00 0.00 C ATOM 742 CD LYS A 48 -12.201 -1.200 15.303 1.00 0.00 C ATOM 743 CE LYS A 48 -11.988 -2.691 15.520 1.00 0.00 C ATOM 744 NZ LYS A 48 -12.321 -3.481 14.303 1.00 0.00 N ATOM 0 H LYS A 48 -9.534 -2.585 13.364 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.932 -0.516 11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.625 0.303 12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.776 -1.442 12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.092 -1.077 14.925 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.907 0.475 14.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.378 -0.713 16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.093 -1.043 14.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.950 -2.873 15.798 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.605 -3.029 16.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.494 -4.472 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.174 -3.088 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.528 -3.436 13.632 1.00 0.00 H new ATOM 758 N PRO A 49 -8.446 1.270 12.188 1.00 0.00 N ATOM 759 CA PRO A 49 -7.488 2.297 12.607 1.00 0.00 C ATOM 760 C PRO A 49 -8.037 3.180 13.723 1.00 0.00 C ATOM 761 O PRO A 49 -9.144 3.709 13.621 1.00 0.00 O ATOM 762 CB PRO A 49 -7.268 3.118 11.334 1.00 0.00 C ATOM 763 CG PRO A 49 -8.511 2.921 10.537 1.00 0.00 C ATOM 764 CD PRO A 49 -8.980 1.525 10.839 1.00 0.00 C ATOM 0 HA PRO A 49 -6.575 1.862 13.012 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.108 4.171 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.389 2.775 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.270 3.655 10.809 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.315 3.045 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.067 1.453 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.598 0.807 10.113 1.00 0.00 H new ATOM 772 N SER A 50 -7.255 3.337 14.786 1.00 0.00 N ATOM 773 CA SER A 50 -7.665 4.154 15.922 1.00 0.00 C ATOM 774 C SER A 50 -7.529 5.639 15.600 1.00 0.00 C ATOM 775 O SER A 50 -6.796 6.040 14.696 1.00 0.00 O ATOM 776 CB SER A 50 -6.825 3.809 17.154 1.00 0.00 C ATOM 777 OG SER A 50 -7.391 2.724 17.869 1.00 0.00 O ATOM 0 H SER A 50 -6.334 2.909 14.884 1.00 0.00 H new ATOM 0 HA SER A 50 -8.713 3.940 16.133 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.810 3.557 16.847 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.754 4.680 17.805 1.00 0.00 H new ATOM 0 HG SER A 50 -6.835 2.522 18.650 1.00 0.00 H new ATOM 783 N PRO A 51 -8.254 6.476 16.358 1.00 0.00 N ATOM 784 CA PRO A 51 -8.232 7.930 16.173 1.00 0.00 C ATOM 785 C PRO A 51 -6.902 8.548 16.590 1.00 0.00 C ATOM 786 O PRO A 51 -6.691 9.751 16.437 1.00 0.00 O ATOM 787 CB PRO A 51 -9.359 8.420 17.086 1.00 0.00 C ATOM 788 CG PRO A 51 -9.484 7.367 18.132 1.00 0.00 C ATOM 789 CD PRO A 51 -9.149 6.068 17.453 1.00 0.00 C ATOM 0 HA PRO A 51 -8.359 8.210 15.127 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.120 9.388 17.526 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.291 8.542 16.534 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.805 7.560 18.963 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.493 7.343 18.544 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.659 5.373 18.135 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.042 5.569 17.077 1.00 0.00 H new ATOM 797 N GLN A 52 -6.008 7.717 17.117 1.00 0.00 N ATOM 798 CA GLN A 52 -4.698 8.183 17.556 1.00 0.00 C ATOM 799 C GLN A 52 -3.660 8.009 16.452 1.00 0.00 C ATOM 800 O GLN A 52 -2.824 8.884 16.231 1.00 0.00 O ATOM 801 CB GLN A 52 -4.258 7.426 18.809 1.00 0.00 C ATOM 802 CG GLN A 52 -4.658 8.111 20.106 1.00 0.00 C ATOM 803 CD GLN A 52 -3.567 9.012 20.650 1.00 0.00 C ATOM 804 OE1 GLN A 52 -3.133 9.971 19.841 1.00 0.00 O flip ATOM 805 NE2 GLN A 52 -3.119 8.848 21.786 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.167 6.718 17.250 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.778 9.244 17.790 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.689 6.425 18.789 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.175 7.307 18.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.560 8.699 19.939 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.905 7.355 20.851 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.482 8.098 22.374 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.385 9.462 22.138 1.00 0.00 H new ATOM 814 N GLU A 53 -3.722 6.875 15.762 1.00 0.00 N ATOM 815 CA GLU A 53 -2.786 6.587 14.681 1.00 0.00 C ATOM 816 C GLU A 53 -3.049 7.489 13.478 1.00 0.00 C ATOM 817 O GLU A 53 -2.119 8.017 12.869 1.00 0.00 O ATOM 818 CB GLU A 53 -2.890 5.119 14.264 1.00 0.00 C ATOM 819 CG GLU A 53 -1.906 4.211 14.983 1.00 0.00 C ATOM 820 CD GLU A 53 -2.405 2.783 15.096 1.00 0.00 C ATOM 821 OE1 GLU A 53 -3.638 2.587 15.138 1.00 0.00 O ATOM 822 OE2 GLU A 53 -1.563 1.863 15.143 1.00 0.00 O ATOM 0 H GLU A 53 -4.410 6.141 15.932 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.778 6.783 15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.903 4.767 14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.724 5.043 13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.955 4.218 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.716 4.606 15.981 1.00 0.00 H new ATOM 829 N VAL A 54 -4.324 7.659 13.142 1.00 0.00 N ATOM 830 CA VAL A 54 -4.712 8.497 12.013 1.00 0.00 C ATOM 831 C VAL A 54 -4.367 9.960 12.270 1.00 0.00 C ATOM 832 O VAL A 54 -3.708 10.605 11.455 1.00 0.00 O ATOM 833 CB VAL A 54 -6.219 8.380 11.719 1.00 0.00 C ATOM 834 CG1 VAL A 54 -6.577 9.144 10.454 1.00 0.00 C ATOM 835 CG2 VAL A 54 -6.627 6.919 11.604 1.00 0.00 C ATOM 0 H VAL A 54 -5.106 7.228 13.635 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.152 8.142 11.148 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.769 8.823 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.646 9.050 10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.322 10.196 10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.020 8.734 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.695 6.855 11.396 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.071 6.449 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.408 6.405 12.540 1.00 0.00 H new ATOM 845 N SER A 55 -4.816 10.477 13.409 1.00 0.00 N ATOM 846 CA SER A 55 -4.558 11.865 13.773 1.00 0.00 C ATOM 847 C SER A 55 -3.059 12.134 13.861 1.00 0.00 C ATOM 848 O SER A 55 -2.567 13.137 13.346 1.00 0.00 O ATOM 849 CB SER A 55 -5.226 12.197 15.108 1.00 0.00 C ATOM 850 OG SER A 55 -5.255 13.596 15.330 1.00 0.00 O ATOM 0 H SER A 55 -5.360 9.955 14.096 1.00 0.00 H new ATOM 0 HA SER A 55 -4.979 12.503 12.996 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.242 11.803 15.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.687 11.708 15.919 1.00 0.00 H new ATOM 0 HG SER A 55 -5.688 13.782 16.189 1.00 0.00 H new ATOM 856 N GLU A 56 -2.339 11.229 14.517 1.00 0.00 N ATOM 857 CA GLU A 56 -0.896 11.369 14.673 1.00 0.00 C ATOM 858 C GLU A 56 -0.187 11.228 13.329 1.00 0.00 C ATOM 859 O GLU A 56 0.548 12.122 12.905 1.00 0.00 O ATOM 860 CB GLU A 56 -0.363 10.323 15.655 1.00 0.00 C ATOM 861 CG GLU A 56 -0.627 10.665 17.111 1.00 0.00 C ATOM 862 CD GLU A 56 0.398 10.058 18.049 1.00 0.00 C ATOM 863 OE1 GLU A 56 1.607 10.154 17.749 1.00 0.00 O ATOM 864 OE2 GLU A 56 -0.008 9.486 19.082 1.00 0.00 O ATOM 0 H GLU A 56 -2.731 10.392 14.948 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.694 12.365 15.068 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.819 9.359 15.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.711 10.211 15.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.627 11.748 17.231 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.621 10.313 17.388 1.00 0.00 H new ATOM 871 N LEU A 57 -0.413 10.101 12.663 1.00 0.00 N ATOM 872 CA LEU A 57 0.204 9.842 11.367 1.00 0.00 C ATOM 873 C LEU A 57 -0.119 10.957 10.377 1.00 0.00 C ATOM 874 O LEU A 57 0.729 11.356 9.580 1.00 0.00 O ATOM 875 CB LEU A 57 -0.272 8.499 10.813 1.00 0.00 C ATOM 876 CG LEU A 57 0.198 7.255 11.568 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.528 6.018 11.066 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.704 7.085 11.430 1.00 0.00 C ATOM 0 H LEU A 57 -1.019 9.352 12.999 1.00 0.00 H new ATOM 0 HA LEU A 57 1.284 9.808 11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.362 8.501 10.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.060 8.418 9.778 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.038 7.385 12.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.180 5.144 11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.601 6.139 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.325 5.883 10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.021 6.195 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.963 6.978 10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.208 7.960 11.841 1.00 0.00 H new ATOM 890 N GLN A 58 -1.350 11.456 10.437 1.00 0.00 N ATOM 891 CA GLN A 58 -1.784 12.526 9.547 1.00 0.00 C ATOM 892 C GLN A 58 -0.884 13.749 9.687 1.00 0.00 C ATOM 893 O GLN A 58 -0.495 14.363 8.693 1.00 0.00 O ATOM 894 CB GLN A 58 -3.235 12.908 9.844 1.00 0.00 C ATOM 895 CG GLN A 58 -4.250 12.131 9.022 1.00 0.00 C ATOM 896 CD GLN A 58 -5.680 12.446 9.411 1.00 0.00 C ATOM 897 OE1 GLN A 58 -6.029 12.168 10.662 1.00 0.00 O flip ATOM 898 NE2 GLN A 58 -6.464 12.935 8.597 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.063 11.136 11.092 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.715 12.163 8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.436 12.744 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.367 13.974 9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.107 12.358 7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.071 11.063 9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.154 13.133 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.423 13.142 8.874 1.00 0.00 H new ATOM 907 N ALA A 59 -0.557 14.098 10.926 1.00 0.00 N ATOM 908 CA ALA A 59 0.299 15.247 11.196 1.00 0.00 C ATOM 909 C ALA A 59 1.771 14.888 11.024 1.00 0.00 C ATOM 910 O ALA A 59 2.581 15.722 10.620 1.00 0.00 O ATOM 911 CB ALA A 59 0.043 15.777 12.599 1.00 0.00 C ATOM 0 H ALA A 59 -0.872 13.602 11.760 1.00 0.00 H new ATOM 0 HA ALA A 59 0.056 16.027 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.689 16.635 12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.000 16.081 12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.256 14.995 13.328 1.00 0.00 H new ATOM 917 N THR A 60 2.111 13.641 11.334 1.00 0.00 N ATOM 918 CA THR A 60 3.486 13.172 11.216 1.00 0.00 C ATOM 919 C THR A 60 3.934 13.145 9.759 1.00 0.00 C ATOM 920 O THR A 60 4.974 13.702 9.409 1.00 0.00 O ATOM 921 CB THR A 60 3.653 11.764 11.819 1.00 0.00 C ATOM 922 OG1 THR A 60 3.719 11.848 13.247 1.00 0.00 O ATOM 923 CG2 THR A 60 4.911 11.094 11.287 1.00 0.00 C ATOM 0 H THR A 60 1.453 12.937 11.669 1.00 0.00 H new ATOM 0 HA THR A 60 4.108 13.873 11.772 1.00 0.00 H new ATOM 0 HB THR A 60 2.790 11.164 11.530 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.817 11.973 13.609 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.008 10.101 11.726 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.845 11.006 10.203 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.782 11.694 11.550 1.00 0.00 H new ATOM 931 N TYR A 61 3.143 12.494 8.913 1.00 0.00 N ATOM 932 CA TYR A 61 3.459 12.393 7.494 1.00 0.00 C ATOM 933 C TYR A 61 3.390 13.761 6.822 1.00 0.00 C ATOM 934 O TYR A 61 4.201 14.080 5.952 1.00 0.00 O ATOM 935 CB TYR A 61 2.498 11.424 6.803 1.00 0.00 C ATOM 936 CG TYR A 61 2.887 9.971 6.960 1.00 0.00 C ATOM 937 CD1 TYR A 61 3.880 9.408 6.168 1.00 0.00 C ATOM 938 CD2 TYR A 61 2.261 9.162 7.900 1.00 0.00 C ATOM 939 CE1 TYR A 61 4.237 8.081 6.308 1.00 0.00 C ATOM 940 CE2 TYR A 61 2.613 7.835 8.048 1.00 0.00 C ATOM 941 CZ TYR A 61 3.602 7.299 7.249 1.00 0.00 C ATOM 942 OH TYR A 61 3.955 5.976 7.392 1.00 0.00 O ATOM 0 H TYR A 61 2.278 12.028 9.186 1.00 0.00 H new ATOM 0 HA TYR A 61 4.476 12.013 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.496 11.569 7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.452 11.666 5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.381 10.018 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.486 9.578 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.010 7.658 5.683 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.117 7.220 8.785 1.00 0.00 H new ATOM 0 HH TYR A 61 3.167 5.453 7.648 1.00 0.00 H new ATOM 952 N ARG A 62 2.415 14.566 7.232 1.00 0.00 N ATOM 953 CA ARG A 62 2.239 15.900 6.670 1.00 0.00 C ATOM 954 C ARG A 62 3.566 16.651 6.626 1.00 0.00 C ATOM 955 O ARG A 62 3.815 17.439 5.712 1.00 0.00 O ATOM 956 CB ARG A 62 1.220 16.692 7.492 1.00 0.00 C ATOM 957 CG ARG A 62 -0.207 16.560 6.984 1.00 0.00 C ATOM 958 CD ARG A 62 -1.205 17.156 7.964 1.00 0.00 C ATOM 959 NE ARG A 62 -2.523 17.337 7.361 1.00 0.00 N ATOM 960 CZ ARG A 62 -3.586 17.764 8.033 1.00 0.00 C ATOM 961 NH1 ARG A 62 -3.486 18.054 9.323 1.00 0.00 N ATOM 962 NH2 ARG A 62 -4.752 17.904 7.415 1.00 0.00 N ATOM 0 H ARG A 62 1.735 14.318 7.951 1.00 0.00 H new ATOM 0 HA ARG A 62 1.869 15.792 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.261 16.355 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.502 17.745 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.299 17.061 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.440 15.508 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.291 16.506 8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.834 18.117 8.320 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.633 17.124 6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.591 17.949 9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.304 18.382 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.833 17.684 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.567 18.232 7.933 1.00 0.00 H new ATOM 976 N LEU A 63 4.414 16.403 7.618 1.00 0.00 N ATOM 977 CA LEU A 63 5.716 17.056 7.693 1.00 0.00 C ATOM 978 C LEU A 63 6.776 16.244 6.956 1.00 0.00 C ATOM 979 O LEU A 63 7.857 16.748 6.647 1.00 0.00 O ATOM 980 CB LEU A 63 6.129 17.249 9.153 1.00 0.00 C ATOM 981 CG LEU A 63 5.083 17.888 10.067 1.00 0.00 C ATOM 982 CD1 LEU A 63 5.512 17.786 11.522 1.00 0.00 C ATOM 983 CD2 LEU A 63 4.851 19.342 9.679 1.00 0.00 C ATOM 0 H LEU A 63 4.223 15.754 8.382 1.00 0.00 H new ATOM 0 HA LEU A 63 5.633 18.031 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.397 16.276 9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.028 17.865 9.177 1.00 0.00 H new ATOM 0 HG LEU A 63 4.145 17.346 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.755 18.246 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.626 16.737 11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.463 18.302 11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.104 19.780 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.785 19.896 9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.498 19.392 8.649 1.00 0.00 H new ATOM 995 N LEU A 64 6.459 14.985 6.675 1.00 0.00 N ATOM 996 CA LEU A 64 7.384 14.102 5.972 1.00 0.00 C ATOM 997 C LEU A 64 7.225 14.239 4.461 1.00 0.00 C ATOM 998 O LEU A 64 8.181 14.056 3.708 1.00 0.00 O ATOM 999 CB LEU A 64 7.151 12.649 6.391 1.00 0.00 C ATOM 1000 CG LEU A 64 7.616 12.274 7.799 1.00 0.00 C ATOM 1001 CD1 LEU A 64 6.966 10.974 8.246 1.00 0.00 C ATOM 1002 CD2 LEU A 64 9.133 12.158 7.846 1.00 0.00 C ATOM 0 H LEU A 64 5.569 14.552 6.923 1.00 0.00 H new ATOM 0 HA LEU A 64 8.400 14.393 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.085 12.436 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.659 12.000 5.677 1.00 0.00 H new ATOM 0 HG LEU A 64 7.311 13.064 8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.308 10.722 9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.882 11.092 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.241 10.174 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.446 11.891 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.461 11.388 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.580 13.113 7.568 1.00 0.00 H new ATOM 1014 N ARG A 65 6.012 14.564 4.026 1.00 0.00 N ATOM 1015 CA ARG A 65 5.728 14.727 2.605 1.00 0.00 C ATOM 1016 C ARG A 65 5.230 16.138 2.309 1.00 0.00 C ATOM 1017 O ARG A 65 5.429 16.660 1.213 1.00 0.00 O ATOM 1018 CB ARG A 65 4.688 13.701 2.151 1.00 0.00 C ATOM 1019 CG ARG A 65 5.070 12.264 2.467 1.00 0.00 C ATOM 1020 CD ARG A 65 5.855 11.633 1.328 1.00 0.00 C ATOM 1021 NE ARG A 65 4.989 11.238 0.220 1.00 0.00 N ATOM 1022 CZ ARG A 65 5.417 11.085 -1.028 1.00 0.00 C ATOM 1023 NH1 ARG A 65 6.692 11.293 -1.326 1.00 0.00 N ATOM 1024 NH2 ARG A 65 4.568 10.724 -1.982 1.00 0.00 N ATOM 0 H ARG A 65 5.210 14.720 4.637 1.00 0.00 H new ATOM 0 HA ARG A 65 6.654 14.564 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.734 13.928 2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.538 13.800 1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.666 12.237 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.169 11.680 2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.604 12.339 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.392 10.759 1.698 1.00 0.00 H new ATOM 0 HE ARG A 65 4.002 11.071 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.348 11.571 -0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.017 11.175 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.586 10.564 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.897 10.607 -2.940 1.00 0.00 H new ATOM 1038 N GLY A 66 4.579 16.750 3.294 1.00 0.00 N ATOM 1039 CA GLY A 66 4.062 18.094 3.119 1.00 0.00 C ATOM 1040 C GLY A 66 2.637 18.237 3.617 1.00 0.00 C ATOM 1041 O GLY A 66 1.748 17.495 3.200 1.00 0.00 O ATOM 0 H GLY A 66 4.401 16.338 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.702 18.798 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.103 18.361 2.063 1.00 0.00 H new ATOM 1045 N LYS A 67 2.419 19.192 4.514 1.00 0.00 N ATOM 1046 CA LYS A 67 1.093 19.431 5.071 1.00 0.00 C ATOM 1047 C LYS A 67 0.030 19.399 3.978 1.00 0.00 C ATOM 1048 O LYS A 67 -1.150 19.180 4.253 1.00 0.00 O ATOM 1049 CB LYS A 67 1.056 20.779 5.795 1.00 0.00 C ATOM 1050 CG LYS A 67 1.197 21.972 4.865 1.00 0.00 C ATOM 1051 CD LYS A 67 0.359 23.149 5.337 1.00 0.00 C ATOM 1052 CE LYS A 67 -0.134 23.987 4.168 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.800 25.103 3.852 1.00 0.00 N ATOM 0 H LYS A 67 3.144 19.814 4.871 1.00 0.00 H new ATOM 0 HA LYS A 67 0.878 18.636 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.116 20.863 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.857 20.808 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.244 22.269 4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.892 21.688 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.494 22.784 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.950 23.772 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.251 23.352 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.118 24.393 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.428 25.650 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.892 25.724 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.733 24.715 3.604 1.00 0.00 H new ATOM 1067 N ASP A 68 0.455 19.618 2.739 1.00 0.00 N ATOM 1068 CA ASP A 68 -0.460 19.612 1.604 1.00 0.00 C ATOM 1069 C ASP A 68 -0.775 18.184 1.167 1.00 0.00 C ATOM 1070 O ASP A 68 -1.232 17.952 0.048 1.00 0.00 O ATOM 1071 CB ASP A 68 0.138 20.395 0.435 1.00 0.00 C ATOM 1072 CG ASP A 68 -0.920 20.890 -0.532 1.00 0.00 C ATOM 1073 OD1 ASP A 68 -1.751 20.069 -0.974 1.00 0.00 O ATOM 1074 OD2 ASP A 68 -0.917 22.098 -0.847 1.00 0.00 O ATOM 0 H ASP A 68 1.428 19.802 2.495 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.388 20.091 1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.700 21.246 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.846 19.761 -0.099 1.00 0.00 H new ATOM 1079 N VAL A 69 -0.527 17.230 2.059 1.00 0.00 N ATOM 1080 CA VAL A 69 -0.784 15.825 1.766 1.00 0.00 C ATOM 1081 C VAL A 69 -2.280 15.548 1.670 1.00 0.00 C ATOM 1082 O VAL A 69 -3.099 16.457 1.802 1.00 0.00 O ATOM 1083 CB VAL A 69 -0.171 14.907 2.840 1.00 0.00 C ATOM 1084 CG1 VAL A 69 1.347 14.984 2.806 1.00 0.00 C ATOM 1085 CG2 VAL A 69 -0.700 15.273 4.219 1.00 0.00 C ATOM 0 H VAL A 69 -0.149 17.405 2.990 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.316 15.611 0.805 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.464 13.880 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.762 14.329 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.705 14.669 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.664 16.010 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.256 14.614 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.439 16.307 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.784 15.161 4.234 1.00 0.00 H new ATOM 1095 N GLU A 70 -2.630 14.286 1.440 1.00 0.00 N ATOM 1096 CA GLU A 70 -4.028 13.890 1.326 1.00 0.00 C ATOM 1097 C GLU A 70 -4.406 12.903 2.426 1.00 0.00 C ATOM 1098 O GLU A 70 -3.539 12.350 3.103 1.00 0.00 O ATOM 1099 CB GLU A 70 -4.295 13.267 -0.046 1.00 0.00 C ATOM 1100 CG GLU A 70 -3.527 11.979 -0.290 1.00 0.00 C ATOM 1101 CD GLU A 70 -3.216 11.753 -1.757 1.00 0.00 C ATOM 1102 OE1 GLU A 70 -4.169 11.657 -2.557 1.00 0.00 O ATOM 1103 OE2 GLU A 70 -2.019 11.674 -2.103 1.00 0.00 O ATOM 0 H GLU A 70 -1.964 13.521 1.329 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.642 14.784 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.362 13.068 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.033 13.988 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.595 12.003 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.107 11.137 0.088 1.00 0.00 H new ATOM 1110 N PHE A 71 -5.706 12.688 2.600 1.00 0.00 N ATOM 1111 CA PHE A 71 -6.199 11.769 3.619 1.00 0.00 C ATOM 1112 C PHE A 71 -7.615 11.305 3.293 1.00 0.00 C ATOM 1113 O PHE A 71 -8.482 12.092 2.912 1.00 0.00 O ATOM 1114 CB PHE A 71 -6.175 12.439 4.995 1.00 0.00 C ATOM 1115 CG PHE A 71 -4.788 12.695 5.512 1.00 0.00 C ATOM 1116 CD1 PHE A 71 -3.889 11.652 5.668 1.00 0.00 C ATOM 1117 CD2 PHE A 71 -4.384 13.979 5.843 1.00 0.00 C ATOM 1118 CE1 PHE A 71 -2.612 11.884 6.144 1.00 0.00 C ATOM 1119 CE2 PHE A 71 -3.108 14.217 6.318 1.00 0.00 C ATOM 1120 CZ PHE A 71 -2.222 13.168 6.470 1.00 0.00 C ATOM 0 H PHE A 71 -6.437 13.138 2.049 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.544 10.898 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.714 13.385 4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.709 11.809 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.190 10.646 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.074 14.802 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.921 11.063 6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.804 15.222 6.570 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.225 13.352 6.843 1.00 0.00 H new ATOM 1130 N PRO A 72 -7.857 9.994 3.444 1.00 0.00 N ATOM 1131 CA PRO A 72 -9.166 9.394 3.171 1.00 0.00 C ATOM 1132 C PRO A 72 -10.218 9.806 4.195 1.00 0.00 C ATOM 1133 O PRO A 72 -9.913 9.992 5.372 1.00 0.00 O ATOM 1134 CB PRO A 72 -8.893 7.890 3.261 1.00 0.00 C ATOM 1135 CG PRO A 72 -7.706 7.774 4.154 1.00 0.00 C ATOM 1136 CD PRO A 72 -6.871 8.997 3.895 1.00 0.00 C ATOM 0 HA PRO A 72 -9.567 9.712 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.750 7.356 3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.692 7.464 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.008 7.722 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.144 6.865 3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.350 9.326 4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.111 8.811 3.136 1.00 0.00 H new ATOM 1144 N ASN A 73 -11.458 9.947 3.738 1.00 0.00 N ATOM 1145 CA ASN A 73 -12.556 10.338 4.616 1.00 0.00 C ATOM 1146 C ASN A 73 -12.856 9.241 5.633 1.00 0.00 C ATOM 1147 O ASN A 73 -13.353 9.513 6.726 1.00 0.00 O ATOM 1148 CB ASN A 73 -13.810 10.643 3.794 1.00 0.00 C ATOM 1149 CG ASN A 73 -13.998 9.673 2.644 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -13.717 9.998 1.490 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -14.475 8.473 2.954 1.00 0.00 N ATOM 0 H ASN A 73 -11.728 9.797 2.766 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.255 11.236 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.685 10.606 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.746 11.658 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.622 7.778 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.694 8.246 3.924 1.00 0.00 H new ATOM 1158 N ASP A 74 -12.551 8.001 5.265 1.00 0.00 N ATOM 1159 CA ASP A 74 -12.786 6.863 6.146 1.00 0.00 C ATOM 1160 C ASP A 74 -11.757 5.764 5.900 1.00 0.00 C ATOM 1161 O ASP A 74 -10.856 5.917 5.075 1.00 0.00 O ATOM 1162 CB ASP A 74 -14.198 6.313 5.937 1.00 0.00 C ATOM 1163 CG ASP A 74 -15.224 7.004 6.813 1.00 0.00 C ATOM 1164 OD1 ASP A 74 -15.492 8.201 6.580 1.00 0.00 O ATOM 1165 OD2 ASP A 74 -15.758 6.349 7.733 1.00 0.00 O ATOM 0 H ASP A 74 -12.141 7.759 4.363 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.686 7.205 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -14.480 6.431 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -14.204 5.244 6.150 1.00 0.00 H new ATOM 1170 N TYR A 75 -11.897 4.658 6.622 1.00 0.00 N ATOM 1171 CA TYR A 75 -10.977 3.534 6.484 1.00 0.00 C ATOM 1172 C TYR A 75 -11.723 2.206 6.570 1.00 0.00 C ATOM 1173 O TYR A 75 -12.137 1.765 7.642 1.00 0.00 O ATOM 1174 CB TYR A 75 -9.898 3.596 7.567 1.00 0.00 C ATOM 1175 CG TYR A 75 -9.077 4.865 7.531 1.00 0.00 C ATOM 1176 CD1 TYR A 75 -9.636 6.088 7.883 1.00 0.00 C ATOM 1177 CD2 TYR A 75 -7.742 4.843 7.145 1.00 0.00 C ATOM 1178 CE1 TYR A 75 -8.890 7.250 7.851 1.00 0.00 C ATOM 1179 CE2 TYR A 75 -6.988 5.999 7.112 1.00 0.00 C ATOM 1180 CZ TYR A 75 -7.567 7.201 7.466 1.00 0.00 C ATOM 1181 OH TYR A 75 -6.819 8.356 7.433 1.00 0.00 O ATOM 0 H TYR A 75 -12.638 4.515 7.308 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.504 3.602 5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.371 3.507 8.545 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.233 2.740 7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.672 6.130 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.286 3.905 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.341 8.192 8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.951 5.963 6.811 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.907 8.147 7.141 1.00 0.00 H new ATOM 1191 N PRO A 76 -11.899 1.553 5.412 1.00 0.00 N ATOM 1192 CA PRO A 76 -12.594 0.265 5.328 1.00 0.00 C ATOM 1193 C PRO A 76 -11.793 -0.869 5.959 1.00 0.00 C ATOM 1194 O PRO A 76 -10.679 -0.662 6.438 1.00 0.00 O ATOM 1195 CB PRO A 76 -12.743 0.040 3.821 1.00 0.00 C ATOM 1196 CG PRO A 76 -11.632 0.821 3.210 1.00 0.00 C ATOM 1197 CD PRO A 76 -11.432 2.020 4.096 1.00 0.00 C ATOM 0 HA PRO A 76 -13.541 0.278 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.668 -1.018 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.713 0.385 3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.722 0.224 3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.881 1.124 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.387 2.327 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.007 2.878 3.747 1.00 0.00 H new ATOM 1205 N SER A 77 -12.369 -2.067 5.955 1.00 0.00 N ATOM 1206 CA SER A 77 -11.709 -3.233 6.531 1.00 0.00 C ATOM 1207 C SER A 77 -11.991 -4.482 5.701 1.00 0.00 C ATOM 1208 O SER A 77 -13.140 -4.775 5.371 1.00 0.00 O ATOM 1209 CB SER A 77 -12.175 -3.449 7.972 1.00 0.00 C ATOM 1210 OG SER A 77 -13.525 -3.877 8.014 1.00 0.00 O ATOM 0 H SER A 77 -13.290 -2.256 5.560 1.00 0.00 H new ATOM 0 HA SER A 77 -10.634 -3.050 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.540 -4.192 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.067 -2.522 8.535 1.00 0.00 H new ATOM 0 HG SER A 77 -13.760 -4.301 7.162 1.00 0.00 H new ATOM 1216 N GLY A 78 -10.933 -5.215 5.367 1.00 0.00 N ATOM 1217 CA GLY A 78 -11.087 -6.423 4.578 1.00 0.00 C ATOM 1218 C GLY A 78 -11.597 -6.141 3.179 1.00 0.00 C ATOM 1219 O GLY A 78 -12.542 -6.781 2.715 1.00 0.00 O ATOM 0 H GLY A 78 -9.972 -4.994 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.128 -6.937 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.777 -7.098 5.084 1.00 0.00 H new ATOM 1223 N CYS A 79 -10.973 -5.182 2.506 1.00 0.00 N ATOM 1224 CA CYS A 79 -11.371 -4.815 1.151 1.00 0.00 C ATOM 1225 C CYS A 79 -10.179 -4.289 0.358 1.00 0.00 C ATOM 1226 O CYS A 79 -9.266 -3.682 0.918 1.00 0.00 O ATOM 1227 CB CYS A 79 -12.478 -3.760 1.191 1.00 0.00 C ATOM 1228 SG CYS A 79 -13.925 -4.245 2.162 1.00 0.00 S ATOM 0 H CYS A 79 -10.189 -4.644 2.876 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.748 -5.709 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -12.070 -2.837 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -12.795 -3.542 0.171 1.00 0.00 H new ATOM 0 HG CYS A 79 -13.825 -5.498 2.493 1.00 0.00 H new ATOM 1234 N LEU A 80 -10.194 -4.527 -0.949 1.00 0.00 N ATOM 1235 CA LEU A 80 -9.113 -4.078 -1.820 1.00 0.00 C ATOM 1236 C LEU A 80 -9.231 -2.586 -2.110 1.00 0.00 C ATOM 1237 O LEU A 80 -10.190 -2.139 -2.742 1.00 0.00 O ATOM 1238 CB LEU A 80 -9.129 -4.867 -3.131 1.00 0.00 C ATOM 1239 CG LEU A 80 -7.779 -5.029 -3.832 1.00 0.00 C ATOM 1240 CD1 LEU A 80 -7.977 -5.468 -5.275 1.00 0.00 C ATOM 1241 CD2 LEU A 80 -6.987 -3.731 -3.772 1.00 0.00 C ATOM 0 H LEU A 80 -10.942 -5.028 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.168 -4.255 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.533 -5.859 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.817 -4.376 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.212 -5.801 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.006 -5.578 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.503 -6.422 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.564 -4.718 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.030 -3.865 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.549 -2.939 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.814 -3.458 -2.731 1.00 0.00 H new ATOM 1253 N LEU A 81 -8.251 -1.819 -1.646 1.00 0.00 N ATOM 1254 CA LEU A 81 -8.243 -0.376 -1.857 1.00 0.00 C ATOM 1255 C LEU A 81 -7.671 -0.029 -3.228 1.00 0.00 C ATOM 1256 O LEU A 81 -8.398 0.390 -4.128 1.00 0.00 O ATOM 1257 CB LEU A 81 -7.428 0.315 -0.762 1.00 0.00 C ATOM 1258 CG LEU A 81 -7.778 -0.065 0.677 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -6.769 0.528 1.647 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -9.187 0.395 1.022 1.00 0.00 C ATOM 0 H LEU A 81 -7.451 -2.173 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.273 -0.022 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.374 0.095 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.550 1.393 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.740 -1.151 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.035 0.247 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.774 0.149 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.774 1.614 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.419 0.116 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.252 1.478 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.900 -0.079 0.347 1.00 0.00 H new ATOM 1272 N GLY A 82 -6.362 -0.209 -3.381 1.00 0.00 N ATOM 1273 CA GLY A 82 -5.715 0.088 -4.645 1.00 0.00 C ATOM 1274 C GLY A 82 -4.546 -0.835 -4.929 1.00 0.00 C ATOM 1275 O GLY A 82 -4.618 -2.036 -4.667 1.00 0.00 O ATOM 0 H GLY A 82 -5.739 -0.555 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.444 0.005 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.365 1.120 -4.637 1.00 0.00 H new ATOM 1279 N CYS A 83 -3.469 -0.274 -5.467 1.00 0.00 N ATOM 1280 CA CYS A 83 -2.280 -1.055 -5.789 1.00 0.00 C ATOM 1281 C CYS A 83 -1.039 -0.170 -5.817 1.00 0.00 C ATOM 1282 O CYS A 83 -1.133 1.045 -5.994 1.00 0.00 O ATOM 1283 CB CYS A 83 -2.454 -1.754 -7.138 1.00 0.00 C ATOM 1284 SG CYS A 83 -3.025 -0.666 -8.464 1.00 0.00 S ATOM 0 H CYS A 83 -3.395 0.719 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.149 -1.808 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.502 -2.198 -7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.165 -2.572 -7.022 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.271 -0.924 -8.731 1.00 0.00 H new ATOM 1290 N VAL A 84 0.126 -0.786 -5.640 1.00 0.00 N ATOM 1291 CA VAL A 84 1.387 -0.055 -5.644 1.00 0.00 C ATOM 1292 C VAL A 84 2.501 -0.883 -6.275 1.00 0.00 C ATOM 1293 O VAL A 84 2.628 -2.078 -6.006 1.00 0.00 O ATOM 1294 CB VAL A 84 1.806 0.349 -4.218 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.718 1.180 -3.556 1.00 0.00 C ATOM 1296 CG2 VAL A 84 2.126 -0.885 -3.388 1.00 0.00 C ATOM 0 H VAL A 84 0.222 -1.791 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 84 1.229 0.846 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 84 2.707 0.960 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.033 1.456 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.543 2.083 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.202 0.598 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.420 -0.581 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.244 -1.524 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.943 -1.435 -3.855 1.00 0.00 H new ATOM 1306 N ASP A 85 3.305 -0.240 -7.114 1.00 0.00 N ATOM 1307 CA ASP A 85 4.411 -0.917 -7.782 1.00 0.00 C ATOM 1308 C ASP A 85 5.600 -1.076 -6.840 1.00 0.00 C ATOM 1309 O ASP A 85 6.251 -0.096 -6.474 1.00 0.00 O ATOM 1310 CB ASP A 85 4.833 -0.140 -9.030 1.00 0.00 C ATOM 1311 CG ASP A 85 5.388 -1.043 -10.114 1.00 0.00 C ATOM 1312 OD1 ASP A 85 4.770 -2.093 -10.386 1.00 0.00 O ATOM 1313 OD2 ASP A 85 6.441 -0.698 -10.691 1.00 0.00 O ATOM 0 H ASP A 85 3.212 0.748 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 85 4.071 -1.909 -8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.975 0.407 -9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.586 0.600 -8.757 1.00 0.00 H new ATOM 1318 N LEU A 86 5.878 -2.315 -6.450 1.00 0.00 N ATOM 1319 CA LEU A 86 6.989 -2.603 -5.550 1.00 0.00 C ATOM 1320 C LEU A 86 8.320 -2.543 -6.291 1.00 0.00 C ATOM 1321 O LEU A 86 8.736 -3.517 -6.919 1.00 0.00 O ATOM 1322 CB LEU A 86 6.809 -3.981 -4.911 1.00 0.00 C ATOM 1323 CG LEU A 86 7.603 -4.235 -3.629 1.00 0.00 C ATOM 1324 CD1 LEU A 86 6.872 -5.225 -2.736 1.00 0.00 C ATOM 1325 CD2 LEU A 86 9.000 -4.741 -3.958 1.00 0.00 C ATOM 0 H LEU A 86 5.349 -3.136 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 86 6.996 -1.845 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.750 -4.123 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.088 -4.738 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 86 7.698 -3.292 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.452 -5.393 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.894 -4.823 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.746 -6.169 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.551 -4.916 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.927 -5.673 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.525 -3.997 -4.557 1.00 0.00 H new ATOM 1337 N ILE A 87 8.985 -1.395 -6.211 1.00 0.00 N ATOM 1338 CA ILE A 87 10.271 -1.210 -6.872 1.00 0.00 C ATOM 1339 C ILE A 87 11.329 -2.139 -6.286 1.00 0.00 C ATOM 1340 O ILE A 87 12.024 -2.845 -7.017 1.00 0.00 O ATOM 1341 CB ILE A 87 10.760 0.245 -6.753 1.00 0.00 C ATOM 1342 CG1 ILE A 87 10.212 0.889 -5.478 1.00 0.00 C ATOM 1343 CG2 ILE A 87 10.343 1.045 -7.978 1.00 0.00 C ATOM 1344 CD1 ILE A 87 8.890 1.596 -5.678 1.00 0.00 C ATOM 0 H ILE A 87 8.654 -0.579 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 87 10.122 -1.450 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 87 11.849 0.243 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.092 0.120 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.943 1.603 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.696 2.072 -7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.778 0.596 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.256 1.041 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.562 2.028 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.009 2.388 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.145 0.882 -6.028 1.00 0.00 H new ATOM 1356 N ASP A 88 11.444 -2.135 -4.962 1.00 0.00 N ATOM 1357 CA ASP A 88 12.415 -2.980 -4.276 1.00 0.00 C ATOM 1358 C ASP A 88 12.049 -3.144 -2.804 1.00 0.00 C ATOM 1359 O ASP A 88 11.186 -2.434 -2.286 1.00 0.00 O ATOM 1360 CB ASP A 88 13.818 -2.387 -4.403 1.00 0.00 C ATOM 1361 CG ASP A 88 14.581 -2.950 -5.586 1.00 0.00 C ATOM 1362 OD1 ASP A 88 14.370 -2.461 -6.715 1.00 0.00 O ATOM 1363 OD2 ASP A 88 15.388 -3.882 -5.383 1.00 0.00 O ATOM 0 H ASP A 88 10.877 -1.556 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 88 12.401 -3.963 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.744 -1.304 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.376 -2.584 -3.488 1.00 0.00 H new ATOM 1368 N CYS A 89 12.709 -4.084 -2.137 1.00 0.00 N ATOM 1369 CA CYS A 89 12.453 -4.342 -0.725 1.00 0.00 C ATOM 1370 C CYS A 89 13.751 -4.326 0.076 1.00 0.00 C ATOM 1371 O CYS A 89 14.510 -5.296 0.067 1.00 0.00 O ATOM 1372 CB CYS A 89 11.749 -5.689 -0.551 1.00 0.00 C ATOM 1373 SG CYS A 89 11.922 -6.404 1.100 1.00 0.00 S ATOM 0 H CYS A 89 13.425 -4.680 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 89 11.806 -3.550 -0.348 1.00 0.00 H new ATOM 0 HB2 CYS A 89 10.689 -5.564 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 89 12.146 -6.392 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 89 10.804 -6.271 1.750 1.00 0.00 H new ATOM 1379 N LEU A 90 14.001 -3.219 0.765 1.00 0.00 N ATOM 1380 CA LEU A 90 15.209 -3.075 1.571 1.00 0.00 C ATOM 1381 C LEU A 90 14.921 -3.364 3.040 1.00 0.00 C ATOM 1382 O LEU A 90 13.766 -3.507 3.441 1.00 0.00 O ATOM 1383 CB LEU A 90 15.781 -1.665 1.419 1.00 0.00 C ATOM 1384 CG LEU A 90 16.153 -1.240 -0.002 1.00 0.00 C ATOM 1385 CD1 LEU A 90 16.573 0.222 -0.030 1.00 0.00 C ATOM 1386 CD2 LEU A 90 17.262 -2.126 -0.551 1.00 0.00 C ATOM 0 H LEU A 90 13.384 -2.407 0.782 1.00 0.00 H new ATOM 0 HA LEU A 90 15.943 -3.798 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.052 -0.955 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.670 -1.586 2.045 1.00 0.00 H new ATOM 0 HG LEU A 90 15.275 -1.356 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.834 0.506 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.749 0.844 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.437 0.365 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.514 -1.809 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.143 -2.042 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.925 -3.162 -0.569 1.00 0.00 H new ATOM 1398 N SER A 91 15.979 -3.448 3.840 1.00 0.00 N ATOM 1399 CA SER A 91 15.841 -3.722 5.265 1.00 0.00 C ATOM 1400 C SER A 91 16.180 -2.485 6.092 1.00 0.00 C ATOM 1401 O SER A 91 16.702 -1.501 5.569 1.00 0.00 O ATOM 1402 CB SER A 91 16.747 -4.885 5.673 1.00 0.00 C ATOM 1403 OG SER A 91 16.541 -5.241 7.029 1.00 0.00 O ATOM 0 H SER A 91 16.942 -3.330 3.525 1.00 0.00 H new ATOM 0 HA SER A 91 14.803 -3.994 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.549 -5.746 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.790 -4.608 5.521 1.00 0.00 H new ATOM 0 HG SER A 91 15.587 -5.408 7.182 1.00 0.00 H new ATOM 1409 N GLN A 92 15.878 -2.543 7.385 1.00 0.00 N ATOM 1410 CA GLN A 92 16.150 -1.428 8.284 1.00 0.00 C ATOM 1411 C GLN A 92 17.559 -0.887 8.069 1.00 0.00 C ATOM 1412 O GLN A 92 17.863 0.249 8.436 1.00 0.00 O ATOM 1413 CB GLN A 92 15.975 -1.864 9.739 1.00 0.00 C ATOM 1414 CG GLN A 92 14.548 -2.254 10.090 1.00 0.00 C ATOM 1415 CD GLN A 92 13.729 -1.080 10.591 1.00 0.00 C ATOM 1416 OE1 GLN A 92 12.921 -0.503 9.710 1.00 0.00 O flip ATOM 1417 NE2 GLN A 92 13.822 -0.696 11.757 1.00 0.00 N flip ATOM 0 H GLN A 92 15.445 -3.350 7.833 1.00 0.00 H new ATOM 0 HA GLN A 92 15.438 -0.633 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.633 -2.710 9.938 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.292 -1.052 10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.065 -2.680 9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.565 -3.032 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.456 -1.169 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.265 0.095 12.079 1.00 0.00 H new ATOM 1426 N LYS A 93 18.418 -1.706 7.472 1.00 0.00 N ATOM 1427 CA LYS A 93 19.796 -1.311 7.206 1.00 0.00 C ATOM 1428 C LYS A 93 19.916 -0.640 5.842 1.00 0.00 C ATOM 1429 O LYS A 93 20.315 0.521 5.745 1.00 0.00 O ATOM 1430 CB LYS A 93 20.720 -2.529 7.270 1.00 0.00 C ATOM 1431 CG LYS A 93 22.119 -2.261 6.743 1.00 0.00 C ATOM 1432 CD LYS A 93 22.924 -3.543 6.620 1.00 0.00 C ATOM 1433 CE LYS A 93 24.408 -3.293 6.837 1.00 0.00 C ATOM 1434 NZ LYS A 93 25.251 -4.246 6.062 1.00 0.00 N ATOM 0 H LYS A 93 18.183 -2.649 7.163 1.00 0.00 H new ATOM 0 HA LYS A 93 20.096 -0.595 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.789 -2.868 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.275 -3.342 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.055 -1.776 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.634 -1.570 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.566 -4.270 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.768 -3.978 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.651 -2.272 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.640 -3.383 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.256 -4.042 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.038 -5.219 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.049 -4.142 5.047 1.00 0.00 H new ATOM 1448 N GLN A 94 19.568 -1.377 4.792 1.00 0.00 N ATOM 1449 CA GLN A 94 19.637 -0.851 3.434 1.00 0.00 C ATOM 1450 C GLN A 94 18.567 0.212 3.207 1.00 0.00 C ATOM 1451 O GLN A 94 18.859 1.308 2.728 1.00 0.00 O ATOM 1452 CB GLN A 94 19.473 -1.983 2.418 1.00 0.00 C ATOM 1453 CG GLN A 94 20.560 -3.041 2.505 1.00 0.00 C ATOM 1454 CD GLN A 94 21.908 -2.533 2.033 1.00 0.00 C ATOM 1455 OE1 GLN A 94 21.960 -2.047 0.798 1.00 0.00 O flip ATOM 1456 NE2 GLN A 94 22.894 -2.577 2.770 1.00 0.00 N flip ATOM 0 H GLN A 94 19.236 -2.339 4.856 1.00 0.00 H new ATOM 0 HA GLN A 94 20.615 -0.390 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.503 -2.457 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.469 -1.560 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.646 -3.384 3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.271 -3.904 1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 94 22.810 -2.959 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 94 23.795 -2.232 2.438 1.00 0.00 H new ATOM 1465 N PHE A 95 17.328 -0.120 3.553 1.00 0.00 N ATOM 1466 CA PHE A 95 16.214 0.806 3.385 1.00 0.00 C ATOM 1467 C PHE A 95 16.630 2.229 3.747 1.00 0.00 C ATOM 1468 O PHE A 95 16.488 3.153 2.945 1.00 0.00 O ATOM 1469 CB PHE A 95 15.029 0.373 4.251 1.00 0.00 C ATOM 1470 CG PHE A 95 13.895 1.358 4.251 1.00 0.00 C ATOM 1471 CD1 PHE A 95 13.327 1.781 3.060 1.00 0.00 C ATOM 1472 CD2 PHE A 95 13.397 1.861 5.442 1.00 0.00 C ATOM 1473 CE1 PHE A 95 12.284 2.688 3.057 1.00 0.00 C ATOM 1474 CE2 PHE A 95 12.353 2.768 5.445 1.00 0.00 C ATOM 1475 CZ PHE A 95 11.796 3.181 4.251 1.00 0.00 C ATOM 0 H PHE A 95 17.070 -1.023 3.951 1.00 0.00 H new ATOM 0 HA PHE A 95 15.915 0.789 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.663 -0.590 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.372 0.226 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.704 1.398 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.829 1.541 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.851 3.011 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 95 11.974 3.153 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.980 3.888 4.251 1.00 0.00 H new ATOM 1485 N LYS A 96 17.144 2.398 4.960 1.00 0.00 N ATOM 1486 CA LYS A 96 17.582 3.707 5.431 1.00 0.00 C ATOM 1487 C LYS A 96 18.810 4.179 4.659 1.00 0.00 C ATOM 1488 O LYS A 96 18.865 5.319 4.199 1.00 0.00 O ATOM 1489 CB LYS A 96 17.896 3.655 6.927 1.00 0.00 C ATOM 1490 CG LYS A 96 19.223 2.989 7.248 1.00 0.00 C ATOM 1491 CD LYS A 96 19.524 3.033 8.737 1.00 0.00 C ATOM 1492 CE LYS A 96 20.342 4.262 9.104 1.00 0.00 C ATOM 1493 NZ LYS A 96 21.493 4.459 8.179 1.00 0.00 N ATOM 0 H LYS A 96 17.268 1.644 5.636 1.00 0.00 H new ATOM 0 HA LYS A 96 16.772 4.416 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.903 4.670 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.097 3.119 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.202 1.953 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 96 20.023 3.486 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.590 3.036 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 96 20.067 2.133 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.702 5.144 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.710 4.162 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 22.259 4.954 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.836 3.534 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 21.189 5.026 7.362 1.00 0.00 H new ATOM 1507 N GLU A 97 19.793 3.294 4.520 1.00 0.00 N ATOM 1508 CA GLU A 97 21.020 3.622 3.803 1.00 0.00 C ATOM 1509 C GLU A 97 20.708 4.326 2.485 1.00 0.00 C ATOM 1510 O GLU A 97 21.190 5.429 2.231 1.00 0.00 O ATOM 1511 CB GLU A 97 21.836 2.356 3.537 1.00 0.00 C ATOM 1512 CG GLU A 97 22.822 2.024 4.644 1.00 0.00 C ATOM 1513 CD GLU A 97 24.049 1.293 4.132 1.00 0.00 C ATOM 1514 OE1 GLU A 97 23.921 0.111 3.753 1.00 0.00 O ATOM 1515 OE2 GLU A 97 25.137 1.906 4.112 1.00 0.00 O ATOM 0 H GLU A 97 19.763 2.346 4.894 1.00 0.00 H new ATOM 0 HA GLU A 97 21.605 4.298 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 97 21.154 1.516 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 97 22.381 2.475 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 97 23.132 2.945 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 97 22.326 1.411 5.396 1.00 0.00 H new ATOM 1522 N GLN A 98 19.900 3.678 1.652 1.00 0.00 N ATOM 1523 CA GLN A 98 19.525 4.241 0.360 1.00 0.00 C ATOM 1524 C GLN A 98 18.436 5.296 0.522 1.00 0.00 C ATOM 1525 O GLN A 98 18.573 6.422 0.043 1.00 0.00 O ATOM 1526 CB GLN A 98 19.044 3.135 -0.581 1.00 0.00 C ATOM 1527 CG GLN A 98 19.715 1.793 -0.336 1.00 0.00 C ATOM 1528 CD GLN A 98 19.455 0.798 -1.450 1.00 0.00 C ATOM 1529 OE1 GLN A 98 18.712 1.082 -2.390 1.00 0.00 O ATOM 1530 NE2 GLN A 98 20.066 -0.376 -1.350 1.00 0.00 N ATOM 0 H GLN A 98 19.493 2.764 1.848 1.00 0.00 H new ATOM 0 HA GLN A 98 20.406 4.717 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 98 17.966 3.018 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.227 3.441 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 98 20.790 1.942 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 98 19.357 1.379 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 98 20.673 -0.569 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.928 -1.086 -2.070 1.00 0.00 H new ATOM 1539 N PHE A 99 17.354 4.925 1.199 1.00 0.00 N ATOM 1540 CA PHE A 99 16.241 5.840 1.422 1.00 0.00 C ATOM 1541 C PHE A 99 16.186 6.285 2.881 1.00 0.00 C ATOM 1542 O PHE A 99 15.292 5.908 3.638 1.00 0.00 O ATOM 1543 CB PHE A 99 14.920 5.174 1.031 1.00 0.00 C ATOM 1544 CG PHE A 99 14.927 4.598 -0.357 1.00 0.00 C ATOM 1545 CD1 PHE A 99 15.576 3.403 -0.622 1.00 0.00 C ATOM 1546 CD2 PHE A 99 14.285 5.253 -1.396 1.00 0.00 C ATOM 1547 CE1 PHE A 99 15.584 2.871 -1.898 1.00 0.00 C ATOM 1548 CE2 PHE A 99 14.289 4.725 -2.673 1.00 0.00 C ATOM 1549 CZ PHE A 99 14.940 3.533 -2.925 1.00 0.00 C ATOM 0 H PHE A 99 17.225 3.997 1.603 1.00 0.00 H new ATOM 0 HA PHE A 99 16.396 6.720 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 99 14.697 4.380 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 99 14.116 5.906 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 99 16.081 2.881 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 99 13.776 6.186 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 99 16.093 1.939 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.783 5.244 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.945 3.120 -3.923 1.00 0.00 H new ATOM 1559 N PRO A 100 17.167 7.105 3.285 1.00 0.00 N ATOM 1560 CA PRO A 100 17.254 7.619 4.655 1.00 0.00 C ATOM 1561 C PRO A 100 16.151 8.624 4.968 1.00 0.00 C ATOM 1562 O PRO A 100 15.898 8.940 6.131 1.00 0.00 O ATOM 1563 CB PRO A 100 18.625 8.301 4.692 1.00 0.00 C ATOM 1564 CG PRO A 100 18.903 8.668 3.275 1.00 0.00 C ATOM 1565 CD PRO A 100 18.267 7.594 2.437 1.00 0.00 C ATOM 0 HA PRO A 100 17.136 6.828 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.612 9.182 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 100 19.390 7.631 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.487 9.647 3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.976 8.724 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.899 7.989 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.974 6.799 2.198 1.00 0.00 H new ATOM 1573 N ASP A 101 15.498 9.123 3.924 1.00 0.00 N ATOM 1574 CA ASP A 101 14.420 10.091 4.088 1.00 0.00 C ATOM 1575 C ASP A 101 13.163 9.419 4.632 1.00 0.00 C ATOM 1576 O ASP A 101 12.335 10.060 5.278 1.00 0.00 O ATOM 1577 CB ASP A 101 14.112 10.774 2.755 1.00 0.00 C ATOM 1578 CG ASP A 101 15.116 11.858 2.414 1.00 0.00 C ATOM 1579 OD1 ASP A 101 15.675 12.466 3.351 1.00 0.00 O ATOM 1580 OD2 ASP A 101 15.344 12.097 1.210 1.00 0.00 O ATOM 0 H ASP A 101 15.697 8.873 2.955 1.00 0.00 H new ATOM 0 HA ASP A 101 14.747 10.843 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.104 10.027 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.113 11.208 2.795 1.00 0.00 H new ATOM 1585 N ILE A 102 13.028 8.124 4.364 1.00 0.00 N ATOM 1586 CA ILE A 102 11.873 7.366 4.827 1.00 0.00 C ATOM 1587 C ILE A 102 12.295 6.232 5.755 1.00 0.00 C ATOM 1588 O ILE A 102 11.559 5.263 5.943 1.00 0.00 O ATOM 1589 CB ILE A 102 11.076 6.778 3.647 1.00 0.00 C ATOM 1590 CG1 ILE A 102 12.027 6.325 2.537 1.00 0.00 C ATOM 1591 CG2 ILE A 102 10.084 7.802 3.116 1.00 0.00 C ATOM 1592 CD1 ILE A 102 11.316 5.843 1.292 1.00 0.00 C ATOM 0 H ILE A 102 13.704 7.579 3.829 1.00 0.00 H new ATOM 0 HA ILE A 102 11.237 8.063 5.374 1.00 0.00 H new ATOM 0 HB ILE A 102 10.519 5.910 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.685 7.153 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 102 12.661 5.524 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.528 7.372 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.390 8.082 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.622 8.687 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 102 12.052 5.538 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.679 4.994 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.704 6.649 0.888 1.00 0.00 H new ATOM 1604 N SER A 103 13.484 6.361 6.335 1.00 0.00 N ATOM 1605 CA SER A 103 14.006 5.346 7.243 1.00 0.00 C ATOM 1606 C SER A 103 13.140 5.241 8.495 1.00 0.00 C ATOM 1607 O SER A 103 13.144 4.219 9.180 1.00 0.00 O ATOM 1608 CB SER A 103 15.449 5.674 7.632 1.00 0.00 C ATOM 1609 OG SER A 103 15.490 6.642 8.667 1.00 0.00 O ATOM 0 H SER A 103 14.104 7.158 6.192 1.00 0.00 H new ATOM 0 HA SER A 103 13.986 4.386 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.956 4.766 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.989 6.045 6.761 1.00 0.00 H new ATOM 0 HG SER A 103 16.423 6.833 8.899 1.00 0.00 H new ATOM 1615 N GLN A 104 12.400 6.306 8.786 1.00 0.00 N ATOM 1616 CA GLN A 104 11.530 6.334 9.956 1.00 0.00 C ATOM 1617 C GLN A 104 10.100 5.958 9.580 1.00 0.00 C ATOM 1618 O GLN A 104 9.314 5.545 10.431 1.00 0.00 O ATOM 1619 CB GLN A 104 11.553 7.720 10.601 1.00 0.00 C ATOM 1620 CG GLN A 104 10.976 8.813 9.716 1.00 0.00 C ATOM 1621 CD GLN A 104 9.465 8.896 9.800 1.00 0.00 C ATOM 1622 OE1 GLN A 104 8.785 8.370 8.788 1.00 0.00 O flip ATOM 1623 NE2 GLN A 104 8.913 9.427 10.765 1.00 0.00 N flip ATOM 0 H GLN A 104 12.385 7.160 8.228 1.00 0.00 H new ATOM 0 HA GLN A 104 11.902 5.602 10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.992 7.686 11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.581 7.976 10.856 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.405 9.773 10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.269 8.630 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.474 9.819 11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.895 9.475 10.808 1.00 0.00 H new ATOM 1632 N GLU A 105 9.772 6.105 8.300 1.00 0.00 N ATOM 1633 CA GLU A 105 8.436 5.782 7.813 1.00 0.00 C ATOM 1634 C GLU A 105 8.070 4.338 8.148 1.00 0.00 C ATOM 1635 O GLU A 105 6.916 4.034 8.453 1.00 0.00 O ATOM 1636 CB GLU A 105 8.353 6.003 6.302 1.00 0.00 C ATOM 1637 CG GLU A 105 7.927 7.410 5.915 1.00 0.00 C ATOM 1638 CD GLU A 105 7.238 7.461 4.566 1.00 0.00 C ATOM 1639 OE1 GLU A 105 6.684 6.425 4.142 1.00 0.00 O ATOM 1640 OE2 GLU A 105 7.252 8.538 3.933 1.00 0.00 O ATOM 0 H GLU A 105 10.412 6.445 7.583 1.00 0.00 H new ATOM 0 HA GLU A 105 7.726 6.444 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.326 5.792 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.648 5.289 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.255 7.804 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.803 8.058 5.896 1.00 0.00 H new ATOM 1647 N SER A 106 9.059 3.453 8.087 1.00 0.00 N ATOM 1648 CA SER A 106 8.841 2.041 8.379 1.00 0.00 C ATOM 1649 C SER A 106 9.808 1.553 9.453 1.00 0.00 C ATOM 1650 O SER A 106 10.990 1.898 9.443 1.00 0.00 O ATOM 1651 CB SER A 106 9.007 1.205 7.109 1.00 0.00 C ATOM 1652 OG SER A 106 10.121 1.644 6.351 1.00 0.00 O ATOM 0 H SER A 106 10.020 3.689 7.838 1.00 0.00 H new ATOM 0 HA SER A 106 7.823 1.925 8.752 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.135 0.156 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.102 1.273 6.505 1.00 0.00 H new ATOM 0 HG SER A 106 10.866 1.851 6.954 1.00 0.00 H new ATOM 1658 N ASP A 107 9.297 0.748 10.378 1.00 0.00 N ATOM 1659 CA ASP A 107 10.114 0.210 11.460 1.00 0.00 C ATOM 1660 C ASP A 107 10.445 -1.258 11.213 1.00 0.00 C ATOM 1661 O ASP A 107 11.497 -1.746 11.626 1.00 0.00 O ATOM 1662 CB ASP A 107 9.392 0.365 12.799 1.00 0.00 C ATOM 1663 CG ASP A 107 10.289 0.054 13.980 1.00 0.00 C ATOM 1664 OD1 ASP A 107 10.370 -1.131 14.368 1.00 0.00 O ATOM 1665 OD2 ASP A 107 10.911 0.994 14.516 1.00 0.00 O ATOM 0 H ASP A 107 8.321 0.453 10.400 1.00 0.00 H new ATOM 0 HA ASP A 107 11.047 0.773 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.017 1.384 12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.526 -0.297 12.820 1.00 0.00 H new ATOM 1670 N SER A 108 9.539 -1.958 10.537 1.00 0.00 N ATOM 1671 CA SER A 108 9.732 -3.372 10.239 1.00 0.00 C ATOM 1672 C SER A 108 11.154 -3.636 9.755 1.00 0.00 C ATOM 1673 O SER A 108 11.869 -2.731 9.326 1.00 0.00 O ATOM 1674 CB SER A 108 8.727 -3.834 9.182 1.00 0.00 C ATOM 1675 OG SER A 108 7.540 -4.321 9.784 1.00 0.00 O ATOM 0 H SER A 108 8.664 -1.569 10.186 1.00 0.00 H new ATOM 0 HA SER A 108 9.569 -3.937 11.157 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.487 -3.004 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.174 -4.616 8.568 1.00 0.00 H new ATOM 0 HG SER A 108 6.849 -3.627 9.753 1.00 0.00 H new ATOM 1681 N PRO A 109 11.576 -4.908 9.825 1.00 0.00 N ATOM 1682 CA PRO A 109 12.915 -5.322 9.398 1.00 0.00 C ATOM 1683 C PRO A 109 13.092 -5.244 7.886 1.00 0.00 C ATOM 1684 O PRO A 109 14.082 -4.704 7.393 1.00 0.00 O ATOM 1685 CB PRO A 109 13.005 -6.775 9.873 1.00 0.00 C ATOM 1686 CG PRO A 109 11.592 -7.241 9.936 1.00 0.00 C ATOM 1687 CD PRO A 109 10.777 -6.039 10.326 1.00 0.00 C ATOM 0 HA PRO A 109 13.691 -4.676 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 109 13.591 -7.381 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.488 -6.844 10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.268 -7.636 8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 109 11.478 -8.043 10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.785 -6.062 9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 109 10.634 -5.983 11.405 1.00 0.00 H new ATOM 1695 N PHE A 110 12.125 -5.786 7.153 1.00 0.00 N ATOM 1696 CA PHE A 110 12.174 -5.779 5.696 1.00 0.00 C ATOM 1697 C PHE A 110 11.119 -4.837 5.121 1.00 0.00 C ATOM 1698 O PHE A 110 9.945 -5.191 5.019 1.00 0.00 O ATOM 1699 CB PHE A 110 11.963 -7.192 5.149 1.00 0.00 C ATOM 1700 CG PHE A 110 13.113 -8.119 5.426 1.00 0.00 C ATOM 1701 CD1 PHE A 110 14.416 -7.721 5.177 1.00 0.00 C ATOM 1702 CD2 PHE A 110 12.889 -9.388 5.934 1.00 0.00 C ATOM 1703 CE1 PHE A 110 15.476 -8.571 5.431 1.00 0.00 C ATOM 1704 CE2 PHE A 110 13.945 -10.243 6.190 1.00 0.00 C ATOM 1705 CZ PHE A 110 15.240 -9.834 5.937 1.00 0.00 C ATOM 0 H PHE A 110 11.298 -6.236 7.545 1.00 0.00 H new ATOM 0 HA PHE A 110 13.159 -5.423 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 110 11.056 -7.610 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 110 11.803 -7.136 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.606 -6.735 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 110 11.878 -9.713 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 110 16.487 -8.248 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.758 -11.230 6.587 1.00 0.00 H new ATOM 0 HZ PHE A 110 16.066 -10.501 6.135 1.00 0.00 H new ATOM 1715 N VAL A 111 11.548 -3.635 4.748 1.00 0.00 N ATOM 1716 CA VAL A 111 10.642 -2.642 4.183 1.00 0.00 C ATOM 1717 C VAL A 111 10.391 -2.906 2.703 1.00 0.00 C ATOM 1718 O VAL A 111 11.283 -3.349 1.979 1.00 0.00 O ATOM 1719 CB VAL A 111 11.198 -1.216 4.351 1.00 0.00 C ATOM 1720 CG1 VAL A 111 10.203 -0.190 3.831 1.00 0.00 C ATOM 1721 CG2 VAL A 111 11.542 -0.946 5.808 1.00 0.00 C ATOM 0 H VAL A 111 12.517 -3.326 4.827 1.00 0.00 H new ATOM 0 HA VAL A 111 9.702 -2.725 4.728 1.00 0.00 H new ATOM 0 HB VAL A 111 12.112 -1.130 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.613 0.812 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.012 -0.372 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.270 -0.273 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.933 0.066 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.645 -1.050 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.294 -1.660 6.143 1.00 0.00 H new ATOM 1731 N PHE A 112 9.169 -2.632 2.258 1.00 0.00 N ATOM 1732 CA PHE A 112 8.799 -2.840 0.863 1.00 0.00 C ATOM 1733 C PHE A 112 8.572 -1.508 0.155 1.00 0.00 C ATOM 1734 O PHE A 112 7.561 -0.839 0.377 1.00 0.00 O ATOM 1735 CB PHE A 112 7.537 -3.701 0.771 1.00 0.00 C ATOM 1736 CG PHE A 112 7.668 -5.033 1.453 1.00 0.00 C ATOM 1737 CD1 PHE A 112 8.914 -5.524 1.808 1.00 0.00 C ATOM 1738 CD2 PHE A 112 6.546 -5.793 1.739 1.00 0.00 C ATOM 1739 CE1 PHE A 112 9.038 -6.749 2.434 1.00 0.00 C ATOM 1740 CE2 PHE A 112 6.664 -7.019 2.366 1.00 0.00 C ATOM 1741 CZ PHE A 112 7.911 -7.498 2.715 1.00 0.00 C ATOM 0 H PHE A 112 8.418 -2.265 2.843 1.00 0.00 H new ATOM 0 HA PHE A 112 9.621 -3.358 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.702 -3.156 1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.293 -3.862 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.798 -4.942 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.568 -5.423 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.015 -7.121 2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.781 -7.602 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.005 -8.455 3.206 1.00 0.00 H new ATOM 1751 N ILE A 113 9.519 -1.128 -0.696 1.00 0.00 N ATOM 1752 CA ILE A 113 9.422 0.124 -1.436 1.00 0.00 C ATOM 1753 C ILE A 113 8.411 0.015 -2.572 1.00 0.00 C ATOM 1754 O ILE A 113 8.559 -0.814 -3.472 1.00 0.00 O ATOM 1755 CB ILE A 113 10.786 0.541 -2.017 1.00 0.00 C ATOM 1756 CG1 ILE A 113 11.912 0.169 -1.050 1.00 0.00 C ATOM 1757 CG2 ILE A 113 10.804 2.034 -2.309 1.00 0.00 C ATOM 1758 CD1 ILE A 113 13.101 1.102 -1.118 1.00 0.00 C ATOM 0 H ILE A 113 10.362 -1.669 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 113 9.089 0.883 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 113 10.944 0.006 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.520 0.167 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.245 -0.846 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.775 2.313 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.023 2.273 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.627 2.587 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.859 0.777 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.518 1.087 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.783 2.115 -0.873 1.00 0.00 H new ATOM 1770 N CYS A 114 7.384 0.856 -2.526 1.00 0.00 N ATOM 1771 CA CYS A 114 6.348 0.855 -3.552 1.00 0.00 C ATOM 1772 C CYS A 114 6.170 2.248 -4.147 1.00 0.00 C ATOM 1773 O CYS A 114 6.453 3.254 -3.496 1.00 0.00 O ATOM 1774 CB CYS A 114 5.023 0.364 -2.968 1.00 0.00 C ATOM 1775 SG CYS A 114 5.193 -1.008 -1.802 1.00 0.00 S ATOM 0 H CYS A 114 7.247 1.547 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 114 6.660 0.177 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.530 1.196 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 114 4.371 0.054 -3.785 1.00 0.00 H new ATOM 0 HG CYS A 114 6.192 -0.777 -1.003 1.00 0.00 H new ATOM 1781 N LYS A 115 5.701 2.300 -5.389 1.00 0.00 N ATOM 1782 CA LYS A 115 5.485 3.569 -6.073 1.00 0.00 C ATOM 1783 C LYS A 115 4.236 3.511 -6.947 1.00 0.00 C ATOM 1784 O LYS A 115 3.619 2.457 -7.094 1.00 0.00 O ATOM 1785 CB LYS A 115 6.703 3.924 -6.929 1.00 0.00 C ATOM 1786 CG LYS A 115 7.774 4.692 -6.175 1.00 0.00 C ATOM 1787 CD LYS A 115 7.435 6.169 -6.073 1.00 0.00 C ATOM 1788 CE LYS A 115 7.758 6.905 -7.365 1.00 0.00 C ATOM 1789 NZ LYS A 115 7.400 8.349 -7.285 1.00 0.00 N ATOM 0 H LYS A 115 5.463 1.477 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 115 5.342 4.341 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.137 3.006 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.376 4.517 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.886 4.274 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.732 4.572 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.376 6.285 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.992 6.615 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.821 6.806 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.218 6.442 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.425 8.766 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.444 8.448 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.081 8.842 -6.673 1.00 0.00 H new ATOM 1803 N ASN A 116 3.870 4.651 -7.525 1.00 0.00 N ATOM 1804 CA ASN A 116 2.695 4.728 -8.385 1.00 0.00 C ATOM 1805 C ASN A 116 1.443 4.279 -7.638 1.00 0.00 C ATOM 1806 O ASN A 116 0.699 3.408 -8.089 1.00 0.00 O ATOM 1807 CB ASN A 116 2.893 3.867 -9.634 1.00 0.00 C ATOM 1808 CG ASN A 116 4.352 3.752 -10.031 1.00 0.00 C ATOM 1809 OD1 ASN A 116 5.050 2.785 -9.448 1.00 0.00 O flip ATOM 1810 ND2 ASN A 116 4.846 4.524 -10.853 1.00 0.00 N flip ATOM 0 H ASN A 116 4.370 5.533 -7.413 1.00 0.00 H new ATOM 0 HA ASN A 116 2.564 5.768 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.489 2.871 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.327 4.296 -10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 116 4.272 5.253 -11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 116 5.829 4.434 -11.110 1.00 0.00 H new ATOM 1817 N PRO A 117 1.203 4.886 -6.466 1.00 0.00 N ATOM 1818 CA PRO A 117 0.042 4.566 -5.631 1.00 0.00 C ATOM 1819 C PRO A 117 -1.268 5.036 -6.255 1.00 0.00 C ATOM 1820 O PRO A 117 -1.460 6.229 -6.490 1.00 0.00 O ATOM 1821 CB PRO A 117 0.318 5.326 -4.332 1.00 0.00 C ATOM 1822 CG PRO A 117 1.206 6.452 -4.733 1.00 0.00 C ATOM 1823 CD PRO A 117 2.048 5.933 -5.866 1.00 0.00 C ATOM 0 HA PRO A 117 -0.077 3.491 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -0.606 5.691 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 117 0.800 4.685 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 117 0.622 7.317 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.830 6.773 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 117 2.285 6.719 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 117 2.996 5.530 -5.510 1.00 0.00 H new ATOM 1831 N GLN A 118 -2.165 4.092 -6.520 1.00 0.00 N ATOM 1832 CA GLN A 118 -3.456 4.412 -7.117 1.00 0.00 C ATOM 1833 C GLN A 118 -4.590 3.731 -6.358 1.00 0.00 C ATOM 1834 O GLN A 118 -4.508 2.547 -6.032 1.00 0.00 O ATOM 1835 CB GLN A 118 -3.482 3.986 -8.586 1.00 0.00 C ATOM 1836 CG GLN A 118 -2.950 2.582 -8.822 1.00 0.00 C ATOM 1837 CD GLN A 118 -2.246 2.441 -10.157 1.00 0.00 C ATOM 1838 OE1 GLN A 118 -2.853 2.617 -11.214 1.00 0.00 O ATOM 1839 NE2 GLN A 118 -0.957 2.123 -10.117 1.00 0.00 N ATOM 0 H GLN A 118 -2.022 3.100 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.599 5.491 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.506 4.044 -8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.892 4.692 -9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.258 2.321 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.776 1.872 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.493 1.986 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.431 2.016 -10.984 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.647 4.488 -6.078 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.797 3.957 -5.356 1.00 0.00 C ATOM 1850 C GLU A 119 -7.926 3.600 -6.318 1.00 0.00 C ATOM 1851 O GLU A 119 -8.360 4.429 -7.117 1.00 0.00 O ATOM 1852 CB GLU A 119 -7.292 4.972 -4.324 1.00 0.00 C ATOM 1853 CG GLU A 119 -8.414 4.447 -3.444 1.00 0.00 C ATOM 1854 CD GLU A 119 -8.721 5.368 -2.279 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -8.972 6.567 -2.520 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -8.710 4.888 -1.126 1.00 0.00 O ATOM 0 H GLU A 119 -5.730 5.470 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.483 3.050 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.456 5.272 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.637 5.866 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.313 4.317 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.141 3.463 -3.062 1.00 0.00 H new ATOM 1863 N MET A 120 -8.397 2.360 -6.235 1.00 0.00 N ATOM 1864 CA MET A 120 -9.477 1.893 -7.097 1.00 0.00 C ATOM 1865 C MET A 120 -10.774 2.636 -6.794 1.00 0.00 C ATOM 1866 O MET A 120 -10.987 3.104 -5.676 1.00 0.00 O ATOM 1867 CB MET A 120 -9.684 0.388 -6.921 1.00 0.00 C ATOM 1868 CG MET A 120 -8.556 -0.453 -7.498 1.00 0.00 C ATOM 1869 SD MET A 120 -8.270 -1.967 -6.563 1.00 0.00 S ATOM 1870 CE MET A 120 -9.951 -2.523 -6.294 1.00 0.00 C ATOM 0 H MET A 120 -8.048 1.661 -5.580 1.00 0.00 H new ATOM 0 HA MET A 120 -9.197 2.095 -8.131 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.785 0.165 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 120 -10.621 0.100 -7.398 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.790 -0.708 -8.532 1.00 0.00 H new ATOM 0 HG3 MET A 120 -7.640 0.137 -7.515 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.942 -3.558 -5.954 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.425 -1.897 -5.538 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.511 -2.453 -7.226 1.00 0.00 H new ATOM 1880 N VAL A 121 -11.639 2.740 -7.798 1.00 0.00 N ATOM 1881 CA VAL A 121 -12.916 3.425 -7.639 1.00 0.00 C ATOM 1882 C VAL A 121 -13.861 2.627 -6.747 1.00 0.00 C ATOM 1883 O VAL A 121 -14.621 3.196 -5.963 1.00 0.00 O ATOM 1884 CB VAL A 121 -13.596 3.669 -8.999 1.00 0.00 C ATOM 1885 CG1 VAL A 121 -14.964 4.305 -8.806 1.00 0.00 C ATOM 1886 CG2 VAL A 121 -12.716 4.536 -9.886 1.00 0.00 C ATOM 0 H VAL A 121 -11.478 2.358 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 121 -12.703 4.386 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 121 -13.736 2.708 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -15.429 4.470 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -15.592 3.643 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.852 5.259 -8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -13.212 4.698 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.543 5.496 -9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.762 4.036 -10.052 1.00 0.00 H new ATOM 1896 N VAL A 122 -13.807 1.305 -6.871 1.00 0.00 N ATOM 1897 CA VAL A 122 -14.656 0.427 -6.075 1.00 0.00 C ATOM 1898 C VAL A 122 -13.829 -0.631 -5.352 1.00 0.00 C ATOM 1899 O VAL A 122 -12.848 -1.143 -5.891 1.00 0.00 O ATOM 1900 CB VAL A 122 -15.714 -0.273 -6.948 1.00 0.00 C ATOM 1901 CG1 VAL A 122 -15.068 -0.891 -8.179 1.00 0.00 C ATOM 1902 CG2 VAL A 122 -16.458 -1.327 -6.141 1.00 0.00 C ATOM 0 H VAL A 122 -13.184 0.818 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 122 -15.159 1.055 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.435 0.473 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -15.831 -1.381 -8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -14.585 -0.111 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -14.324 -1.625 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.202 -1.812 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -15.751 -2.072 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.955 -0.853 -5.294 1.00 0.00 H new ATOM 1912 N LYS A 123 -14.232 -0.953 -4.128 1.00 0.00 N ATOM 1913 CA LYS A 123 -13.530 -1.952 -3.329 1.00 0.00 C ATOM 1914 C LYS A 123 -14.311 -3.261 -3.286 1.00 0.00 C ATOM 1915 O LYS A 123 -15.537 -3.269 -3.406 1.00 0.00 O ATOM 1916 CB LYS A 123 -13.306 -1.432 -1.908 1.00 0.00 C ATOM 1917 CG LYS A 123 -12.356 -0.248 -1.835 1.00 0.00 C ATOM 1918 CD LYS A 123 -12.714 0.684 -0.690 1.00 0.00 C ATOM 1919 CE LYS A 123 -11.857 1.941 -0.706 1.00 0.00 C ATOM 1920 NZ LYS A 123 -12.495 3.037 -1.487 1.00 0.00 N ATOM 0 H LYS A 123 -15.041 -0.537 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.564 -2.142 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.266 -1.143 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.913 -2.241 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.335 -0.607 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.385 0.302 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.767 0.959 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.582 0.164 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.685 2.276 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.882 1.710 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.880 3.876 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -12.636 2.726 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.415 3.275 -1.064 1.00 0.00 H new ATOM 1934 N PHE A 124 -13.595 -4.367 -3.113 1.00 0.00 N ATOM 1935 CA PHE A 124 -14.221 -5.682 -3.053 1.00 0.00 C ATOM 1936 C PHE A 124 -14.040 -6.309 -1.674 1.00 0.00 C ATOM 1937 O PHE A 124 -12.979 -6.215 -1.056 1.00 0.00 O ATOM 1938 CB PHE A 124 -13.631 -6.601 -4.125 1.00 0.00 C ATOM 1939 CG PHE A 124 -13.154 -5.868 -5.346 1.00 0.00 C ATOM 1940 CD1 PHE A 124 -13.990 -4.988 -6.013 1.00 0.00 C ATOM 1941 CD2 PHE A 124 -11.868 -6.059 -5.826 1.00 0.00 C ATOM 1942 CE1 PHE A 124 -13.554 -4.313 -7.137 1.00 0.00 C ATOM 1943 CE2 PHE A 124 -11.426 -5.386 -6.950 1.00 0.00 C ATOM 1944 CZ PHE A 124 -12.270 -4.511 -7.606 1.00 0.00 C ATOM 0 H PHE A 124 -12.580 -4.378 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 124 -15.288 -5.557 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.798 -7.158 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -14.384 -7.332 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -14.995 -4.828 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -11.204 -6.741 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -14.217 -3.631 -7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -10.422 -5.544 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 124 -11.927 -3.983 -8.483 1.00 0.00 H new ATOM 1954 N PRO A 125 -15.100 -6.964 -1.178 1.00 0.00 N ATOM 1955 CA PRO A 125 -15.083 -7.619 0.134 1.00 0.00 C ATOM 1956 C PRO A 125 -14.188 -8.853 0.153 1.00 0.00 C ATOM 1957 O PRO A 125 -14.649 -9.969 -0.091 1.00 0.00 O ATOM 1958 CB PRO A 125 -16.546 -8.015 0.351 1.00 0.00 C ATOM 1959 CG PRO A 125 -17.113 -8.139 -1.022 1.00 0.00 C ATOM 1960 CD PRO A 125 -16.397 -7.115 -1.859 1.00 0.00 C ATOM 0 HA PRO A 125 -14.684 -6.967 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.625 -8.954 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.078 -7.262 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -16.960 -9.143 -1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.188 -7.958 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.274 -7.452 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.944 -6.173 -1.896 1.00 0.00 H new ATOM 1968 N ILE A 126 -12.909 -8.646 0.446 1.00 0.00 N ATOM 1969 CA ILE A 126 -11.951 -9.743 0.499 1.00 0.00 C ATOM 1970 C ILE A 126 -11.273 -9.816 1.864 1.00 0.00 C ATOM 1971 O ILE A 126 -11.266 -8.843 2.619 1.00 0.00 O ATOM 1972 CB ILE A 126 -10.872 -9.601 -0.590 1.00 0.00 C ATOM 1973 CG1 ILE A 126 -10.170 -8.247 -0.470 1.00 0.00 C ATOM 1974 CG2 ILE A 126 -11.489 -9.764 -1.971 1.00 0.00 C ATOM 1975 CD1 ILE A 126 -8.967 -8.269 0.446 1.00 0.00 C ATOM 0 H ILE A 126 -12.512 -7.729 0.650 1.00 0.00 H new ATOM 0 HA ILE A 126 -12.513 -10.661 0.325 1.00 0.00 H new ATOM 0 HB ILE A 126 -10.130 -10.387 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -9.856 -7.921 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -10.883 -7.509 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -10.714 -9.661 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -11.947 -10.750 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -12.249 -8.998 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -8.520 -7.276 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -9.278 -8.564 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -8.235 -8.983 0.068 1.00 0.00 H new ATOM 1987 N LYS A 127 -10.703 -10.975 2.174 1.00 0.00 N ATOM 1988 CA LYS A 127 -10.019 -11.175 3.446 1.00 0.00 C ATOM 1989 C LYS A 127 -8.532 -10.856 3.321 1.00 0.00 C ATOM 1990 O LYS A 127 -7.851 -11.364 2.432 1.00 0.00 O ATOM 1991 CB LYS A 127 -10.202 -12.617 3.925 1.00 0.00 C ATOM 1992 CG LYS A 127 -11.657 -13.040 4.038 1.00 0.00 C ATOM 1993 CD LYS A 127 -11.789 -14.545 4.195 1.00 0.00 C ATOM 1994 CE LYS A 127 -11.730 -15.254 2.851 1.00 0.00 C ATOM 1995 NZ LYS A 127 -10.335 -15.615 2.475 1.00 0.00 N ATOM 0 H LYS A 127 -10.701 -11.791 1.562 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.459 -10.496 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.690 -13.288 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.722 -12.732 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -12.116 -12.542 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.201 -12.717 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.991 -14.916 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.732 -14.779 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.341 -16.156 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.159 -14.611 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.331 -16.544 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.954 -14.899 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.744 -15.655 3.330 1.00 0.00 H new ATOM 2009 N GLY A 128 -8.036 -10.010 4.219 1.00 0.00 N ATOM 2010 CA GLY A 128 -6.633 -9.639 4.192 1.00 0.00 C ATOM 2011 C GLY A 128 -5.770 -10.574 5.015 1.00 0.00 C ATOM 2012 O GLY A 128 -6.237 -11.166 5.987 1.00 0.00 O ATOM 0 H GLY A 128 -8.580 -9.575 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -6.281 -9.638 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -6.522 -8.622 4.568 1.00 0.00 H new ATOM 2016 N ASN A 129 -4.507 -10.709 4.624 1.00 0.00 N ATOM 2017 CA ASN A 129 -3.577 -11.581 5.331 1.00 0.00 C ATOM 2018 C ASN A 129 -2.257 -10.865 5.600 1.00 0.00 C ATOM 2019 O ASN A 129 -1.866 -9.941 4.886 1.00 0.00 O ATOM 2020 CB ASN A 129 -3.323 -12.854 4.521 1.00 0.00 C ATOM 2021 CG ASN A 129 -4.586 -13.665 4.306 1.00 0.00 C ATOM 2022 OD1 ASN A 129 -5.185 -14.167 5.258 1.00 0.00 O ATOM 2023 ND2 ASN A 129 -4.998 -13.796 3.051 1.00 0.00 N ATOM 0 H ASN A 129 -4.104 -10.225 3.821 1.00 0.00 H new ATOM 0 HA ASN A 129 -4.026 -11.850 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.897 -12.587 3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -2.584 -13.468 5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -5.842 -14.330 2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -4.470 -13.363 2.293 1.00 0.00 H new ATOM 2030 N PRO A 130 -1.552 -11.301 6.655 1.00 0.00 N ATOM 2031 CA PRO A 130 -0.264 -10.716 7.043 1.00 0.00 C ATOM 2032 C PRO A 130 0.843 -11.039 6.045 1.00 0.00 C ATOM 2033 O PRO A 130 1.998 -10.659 6.239 1.00 0.00 O ATOM 2034 CB PRO A 130 0.028 -11.368 8.396 1.00 0.00 C ATOM 2035 CG PRO A 130 -0.720 -12.656 8.365 1.00 0.00 C ATOM 2036 CD PRO A 130 -1.956 -12.398 7.550 1.00 0.00 C ATOM 0 HA PRO A 130 -0.305 -9.627 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.097 -11.534 8.533 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -0.305 -10.737 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -0.117 -13.447 7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -0.978 -12.982 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -2.260 -13.282 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.800 -12.114 8.179 1.00 0.00 H new ATOM 2044 N LYS A 131 0.483 -11.741 4.976 1.00 0.00 N ATOM 2045 CA LYS A 131 1.445 -12.114 3.946 1.00 0.00 C ATOM 2046 C LYS A 131 0.868 -11.884 2.553 1.00 0.00 C ATOM 2047 O LYS A 131 -0.227 -11.339 2.408 1.00 0.00 O ATOM 2048 CB LYS A 131 1.851 -13.581 4.105 1.00 0.00 C ATOM 2049 CG LYS A 131 2.583 -13.873 5.404 1.00 0.00 C ATOM 2050 CD LYS A 131 4.015 -13.367 5.363 1.00 0.00 C ATOM 2051 CE LYS A 131 4.944 -14.376 4.706 1.00 0.00 C ATOM 2052 NZ LYS A 131 5.336 -15.463 5.646 1.00 0.00 N ATOM 0 H LYS A 131 -0.469 -12.063 4.800 1.00 0.00 H new ATOM 0 HA LYS A 131 2.327 -11.484 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.958 -14.204 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.487 -13.866 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.054 -13.404 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.581 -14.947 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.054 -12.425 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.358 -13.161 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.452 -14.809 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.838 -13.866 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.969 -16.130 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.828 -15.053 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.485 -15.966 5.969 1.00 0.00 H new ATOM 2066 N ILE A 132 1.610 -12.302 1.534 1.00 0.00 N ATOM 2067 CA ILE A 132 1.170 -12.143 0.153 1.00 0.00 C ATOM 2068 C ILE A 132 0.347 -13.343 -0.303 1.00 0.00 C ATOM 2069 O ILE A 132 0.739 -14.491 -0.097 1.00 0.00 O ATOM 2070 CB ILE A 132 2.365 -11.961 -0.801 1.00 0.00 C ATOM 2071 CG1 ILE A 132 3.211 -10.761 -0.372 1.00 0.00 C ATOM 2072 CG2 ILE A 132 1.878 -11.787 -2.232 1.00 0.00 C ATOM 2073 CD1 ILE A 132 4.412 -10.519 -1.259 1.00 0.00 C ATOM 0 H ILE A 132 2.519 -12.753 1.638 1.00 0.00 H new ATOM 0 HA ILE A 132 0.550 -11.247 0.120 1.00 0.00 H new ATOM 0 HB ILE A 132 2.987 -12.855 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 132 2.586 -9.868 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 132 3.551 -10.914 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.734 -11.659 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 132 1.314 -12.669 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.237 -10.908 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.965 -9.653 -0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.059 -11.396 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.079 -10.334 -2.280 1.00 0.00 H new ATOM 2085 N TRP A 133 -0.794 -13.068 -0.925 1.00 0.00 N ATOM 2086 CA TRP A 133 -1.671 -14.126 -1.413 1.00 0.00 C ATOM 2087 C TRP A 133 -2.269 -13.756 -2.766 1.00 0.00 C ATOM 2088 O TRP A 133 -2.813 -12.665 -2.939 1.00 0.00 O ATOM 2089 CB TRP A 133 -2.789 -14.395 -0.404 1.00 0.00 C ATOM 2090 CG TRP A 133 -3.444 -13.147 0.104 1.00 0.00 C ATOM 2091 CD1 TRP A 133 -2.863 -12.162 0.850 1.00 0.00 C ATOM 2092 CD2 TRP A 133 -4.805 -12.751 -0.095 1.00 0.00 C ATOM 2093 NE1 TRP A 133 -3.781 -11.178 1.127 1.00 0.00 N ATOM 2094 CE2 TRP A 133 -4.980 -11.515 0.557 1.00 0.00 C ATOM 2095 CE3 TRP A 133 -5.893 -13.320 -0.763 1.00 0.00 C ATOM 2096 CZ2 TRP A 133 -6.198 -10.841 0.561 1.00 0.00 C ATOM 2097 CZ3 TRP A 133 -7.102 -12.650 -0.758 1.00 0.00 C ATOM 2098 CH2 TRP A 133 -7.247 -11.421 -0.101 1.00 0.00 C ATOM 0 H TRP A 133 -1.133 -12.123 -1.103 1.00 0.00 H new ATOM 0 HA TRP A 133 -1.075 -15.031 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -3.544 -15.029 -0.869 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -2.381 -14.952 0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -1.833 -12.157 1.175 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -3.599 -10.333 1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -5.791 -14.266 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -6.312 -9.894 1.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -7.950 -13.081 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -8.204 -10.922 -0.117 1.00 0.00 H new ATOM 2109 N LYS A 134 -2.166 -14.672 -3.724 1.00 0.00 N ATOM 2110 CA LYS A 134 -2.698 -14.443 -5.062 1.00 0.00 C ATOM 2111 C LYS A 134 -4.178 -14.076 -5.004 1.00 0.00 C ATOM 2112 O LYS A 134 -4.981 -14.788 -4.399 1.00 0.00 O ATOM 2113 CB LYS A 134 -2.504 -15.688 -5.930 1.00 0.00 C ATOM 2114 CG LYS A 134 -2.413 -15.386 -7.416 1.00 0.00 C ATOM 2115 CD LYS A 134 -2.013 -16.617 -8.212 1.00 0.00 C ATOM 2116 CE LYS A 134 -0.501 -16.742 -8.323 1.00 0.00 C ATOM 2117 NZ LYS A 134 -0.094 -18.058 -8.888 1.00 0.00 N ATOM 0 H LYS A 134 -1.719 -15.580 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.152 -13.610 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.595 -16.201 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -3.333 -16.374 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.375 -15.018 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.686 -14.592 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.419 -17.508 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.449 -16.564 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -0.116 -15.941 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -0.053 -16.615 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.943 -18.104 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -0.440 -18.822 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -0.501 -18.168 -9.839 1.00 0.00 H new ATOM 2131 N LEU A 135 -4.532 -12.963 -5.637 1.00 0.00 N ATOM 2132 CA LEU A 135 -5.916 -12.503 -5.659 1.00 0.00 C ATOM 2133 C LEU A 135 -6.816 -13.516 -6.359 1.00 0.00 C ATOM 2134 O LEU A 135 -6.335 -14.433 -7.025 1.00 0.00 O ATOM 2135 CB LEU A 135 -6.012 -11.147 -6.361 1.00 0.00 C ATOM 2136 CG LEU A 135 -5.631 -9.928 -5.521 1.00 0.00 C ATOM 2137 CD1 LEU A 135 -5.560 -8.682 -6.390 1.00 0.00 C ATOM 2138 CD2 LEU A 135 -6.624 -9.732 -4.384 1.00 0.00 C ATOM 0 H LEU A 135 -3.880 -12.363 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.254 -12.397 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -5.371 -11.171 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.035 -11.015 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.645 -10.102 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -5.288 -7.824 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.810 -8.823 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.532 -8.504 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -6.337 -8.860 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.622 -9.580 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.625 -10.615 -3.745 1.00 0.00 H new ATOM 2150 N ASP A 136 -8.124 -13.342 -6.206 1.00 0.00 N ATOM 2151 CA ASP A 136 -9.092 -14.239 -6.826 1.00 0.00 C ATOM 2152 C ASP A 136 -9.226 -13.946 -8.317 1.00 0.00 C ATOM 2153 O ASP A 136 -9.431 -12.801 -8.719 1.00 0.00 O ATOM 2154 CB ASP A 136 -10.454 -14.106 -6.143 1.00 0.00 C ATOM 2155 CG ASP A 136 -11.229 -15.409 -6.138 1.00 0.00 C ATOM 2156 OD1 ASP A 136 -10.612 -16.466 -5.889 1.00 0.00 O ATOM 2157 OD2 ASP A 136 -12.453 -15.372 -6.382 1.00 0.00 O ATOM 0 H ASP A 136 -8.538 -12.588 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 136 -8.733 -15.261 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.311 -13.768 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.039 -13.340 -6.652 1.00 0.00 H new ATOM 2162 N SER A 137 -9.109 -14.989 -9.133 1.00 0.00 N ATOM 2163 CA SER A 137 -9.212 -14.843 -10.580 1.00 0.00 C ATOM 2164 C SER A 137 -10.239 -13.775 -10.946 1.00 0.00 C ATOM 2165 O SER A 137 -10.041 -13.002 -11.884 1.00 0.00 O ATOM 2166 CB SER A 137 -9.596 -16.177 -11.223 1.00 0.00 C ATOM 2167 OG SER A 137 -8.445 -16.928 -11.567 1.00 0.00 O ATOM 0 H SER A 137 -8.943 -15.944 -8.816 1.00 0.00 H new ATOM 0 HA SER A 137 -8.238 -14.532 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 137 -10.216 -16.751 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.195 -15.995 -12.115 1.00 0.00 H new ATOM 0 HG SER A 137 -8.718 -17.777 -11.974 1.00 0.00 H new ATOM 2173 N LYS A 138 -11.337 -13.739 -10.199 1.00 0.00 N ATOM 2174 CA LYS A 138 -12.396 -12.766 -10.442 1.00 0.00 C ATOM 2175 C LYS A 138 -11.989 -11.383 -9.944 1.00 0.00 C ATOM 2176 O LYS A 138 -12.222 -10.378 -10.616 1.00 0.00 O ATOM 2177 CB LYS A 138 -13.690 -13.208 -9.754 1.00 0.00 C ATOM 2178 CG LYS A 138 -14.578 -14.076 -10.628 1.00 0.00 C ATOM 2179 CD LYS A 138 -15.200 -13.276 -11.760 1.00 0.00 C ATOM 2180 CE LYS A 138 -16.006 -14.166 -12.694 1.00 0.00 C ATOM 2181 NZ LYS A 138 -17.305 -14.571 -12.091 1.00 0.00 N ATOM 0 H LYS A 138 -11.517 -14.372 -9.420 1.00 0.00 H new ATOM 0 HA LYS A 138 -12.564 -12.710 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -13.440 -13.757 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -14.249 -12.324 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -13.992 -14.897 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -15.366 -14.520 -10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -15.846 -12.501 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -14.416 -12.771 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -16.189 -13.638 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -15.426 -15.056 -12.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -17.824 -15.176 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -17.130 -15.097 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -17.870 -13.723 -11.882 1.00 0.00 H new ATOM 2195 N ILE A 139 -11.380 -11.340 -8.764 1.00 0.00 N ATOM 2196 CA ILE A 139 -10.939 -10.080 -8.178 1.00 0.00 C ATOM 2197 C ILE A 139 -9.857 -9.426 -9.031 1.00 0.00 C ATOM 2198 O ILE A 139 -9.849 -8.209 -9.217 1.00 0.00 O ATOM 2199 CB ILE A 139 -10.399 -10.282 -6.750 1.00 0.00 C ATOM 2200 CG1 ILE A 139 -11.514 -10.772 -5.824 1.00 0.00 C ATOM 2201 CG2 ILE A 139 -9.796 -8.988 -6.224 1.00 0.00 C ATOM 2202 CD1 ILE A 139 -12.598 -9.744 -5.587 1.00 0.00 C ATOM 0 H ILE A 139 -11.181 -12.163 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 139 -11.811 -9.428 -8.139 1.00 0.00 H new ATOM 0 HB ILE A 139 -9.616 -11.040 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -11.962 -11.669 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -11.080 -11.058 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -9.419 -9.147 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -8.977 -8.678 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -10.560 -8.211 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -13.355 -10.160 -4.922 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -12.163 -8.855 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -13.059 -9.475 -6.538 1.00 0.00 H new ATOM 2214 N HIS A 140 -8.946 -10.243 -9.550 1.00 0.00 N ATOM 2215 CA HIS A 140 -7.860 -9.744 -10.386 1.00 0.00 C ATOM 2216 C HIS A 140 -8.377 -8.725 -11.397 1.00 0.00 C ATOM 2217 O HIS A 140 -8.023 -7.547 -11.340 1.00 0.00 O ATOM 2218 CB HIS A 140 -7.177 -10.902 -11.115 1.00 0.00 C ATOM 2219 CG HIS A 140 -5.949 -10.493 -11.869 1.00 0.00 C ATOM 2220 ND1 HIS A 140 -5.450 -11.206 -12.939 1.00 0.00 N ATOM 2221 CD2 HIS A 140 -5.118 -9.437 -11.702 1.00 0.00 C ATOM 2222 CE1 HIS A 140 -4.366 -10.607 -13.397 1.00 0.00 C ATOM 2223 NE2 HIS A 140 -4.142 -9.531 -12.664 1.00 0.00 N ATOM 0 H HIS A 140 -8.938 -11.253 -9.406 1.00 0.00 H new ATOM 0 HA HIS A 140 -7.133 -9.252 -9.740 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -6.909 -11.670 -10.389 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -7.886 -11.353 -11.809 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.206 -8.665 -10.952 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.764 -10.940 -14.230 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -3.370 -8.877 -12.792 1.00 0.00 H new ATOM 2231 N GLN A 141 -9.214 -9.186 -12.320 1.00 0.00 N ATOM 2232 CA GLN A 141 -9.778 -8.314 -13.344 1.00 0.00 C ATOM 2233 C GLN A 141 -10.414 -7.078 -12.716 1.00 0.00 C ATOM 2234 O GLN A 141 -9.926 -5.962 -12.886 1.00 0.00 O ATOM 2235 CB GLN A 141 -10.816 -9.071 -14.174 1.00 0.00 C ATOM 2236 CG GLN A 141 -10.220 -10.172 -15.036 1.00 0.00 C ATOM 2237 CD GLN A 141 -11.130 -10.575 -16.179 1.00 0.00 C ATOM 2238 OE1 GLN A 141 -11.839 -11.580 -16.100 1.00 0.00 O ATOM 2239 NE2 GLN A 141 -11.117 -9.792 -17.251 1.00 0.00 N ATOM 0 H GLN A 141 -9.517 -10.158 -12.380 1.00 0.00 H new ATOM 0 HA GLN A 141 -8.967 -7.991 -13.997 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -11.557 -9.507 -13.504 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -11.342 -8.364 -14.815 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.264 -9.836 -15.439 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -10.015 -11.044 -14.415 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -10.515 -8.969 -17.274 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -11.710 -10.013 -18.051 1.00 0.00 H new ATOM 2248 N GLY A 142 -11.508 -7.286 -11.989 1.00 0.00 N ATOM 2249 CA GLY A 142 -12.194 -6.180 -11.348 1.00 0.00 C ATOM 2250 C GLY A 142 -11.237 -5.119 -10.842 1.00 0.00 C ATOM 2251 O GLY A 142 -11.425 -3.931 -11.098 1.00 0.00 O ATOM 0 H GLY A 142 -11.931 -8.201 -11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -12.890 -5.729 -12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.786 -6.558 -10.515 1.00 0.00 H new ATOM 2255 N ALA A 143 -10.207 -5.550 -10.120 1.00 0.00 N ATOM 2256 CA ALA A 143 -9.216 -4.628 -9.577 1.00 0.00 C ATOM 2257 C ALA A 143 -8.598 -3.775 -10.679 1.00 0.00 C ATOM 2258 O ALA A 143 -8.548 -2.549 -10.575 1.00 0.00 O ATOM 2259 CB ALA A 143 -8.134 -5.396 -8.832 1.00 0.00 C ATOM 0 H ALA A 143 -10.037 -6.531 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 143 -9.721 -3.961 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -7.401 -4.696 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.584 -5.957 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.641 -6.086 -9.517 1.00 0.00 H new ATOM 2265 N LYS A 144 -8.128 -4.430 -11.735 1.00 0.00 N ATOM 2266 CA LYS A 144 -7.514 -3.732 -12.858 1.00 0.00 C ATOM 2267 C LYS A 144 -8.480 -2.720 -13.464 1.00 0.00 C ATOM 2268 O LYS A 144 -8.067 -1.671 -13.960 1.00 0.00 O ATOM 2269 CB LYS A 144 -7.071 -4.734 -13.927 1.00 0.00 C ATOM 2270 CG LYS A 144 -6.050 -5.742 -13.430 1.00 0.00 C ATOM 2271 CD LYS A 144 -6.193 -7.077 -14.142 1.00 0.00 C ATOM 2272 CE LYS A 144 -6.287 -6.898 -15.649 1.00 0.00 C ATOM 2273 NZ LYS A 144 -7.683 -6.623 -16.088 1.00 0.00 N ATOM 0 H LYS A 144 -8.161 -5.444 -11.837 1.00 0.00 H new ATOM 0 HA LYS A 144 -6.641 -3.196 -12.486 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -7.946 -5.268 -14.297 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.650 -4.189 -14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.045 -5.351 -13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.172 -5.886 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.340 -7.711 -13.903 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.084 -7.590 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.640 -6.077 -15.958 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.920 -7.797 -16.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.993 -7.366 -16.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.311 -6.611 -15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.721 -5.700 -16.565 1.00 0.00 H new ATOM 2287 N LYS A 145 -9.769 -3.039 -13.420 1.00 0.00 N ATOM 2288 CA LYS A 145 -10.796 -2.156 -13.962 1.00 0.00 C ATOM 2289 C LYS A 145 -10.971 -0.922 -13.083 1.00 0.00 C ATOM 2290 O LYS A 145 -10.947 0.207 -13.571 1.00 0.00 O ATOM 2291 CB LYS A 145 -12.126 -2.902 -14.083 1.00 0.00 C ATOM 2292 CG LYS A 145 -12.001 -4.266 -14.739 1.00 0.00 C ATOM 2293 CD LYS A 145 -11.670 -4.146 -16.217 1.00 0.00 C ATOM 2294 CE LYS A 145 -12.882 -3.710 -17.026 1.00 0.00 C ATOM 2295 NZ LYS A 145 -12.492 -3.148 -18.350 1.00 0.00 N ATOM 0 H LYS A 145 -10.128 -3.903 -13.014 1.00 0.00 H new ATOM 0 HA LYS A 145 -10.477 -1.832 -14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -12.556 -3.024 -13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -12.823 -2.294 -14.659 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -11.224 -4.842 -14.237 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -12.934 -4.816 -14.618 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -10.863 -3.426 -16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -11.309 -5.105 -16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -13.545 -4.562 -17.174 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -13.443 -2.963 -16.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -13.346 -2.863 -18.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -11.879 -2.320 -18.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -11.978 -3.869 -18.896 1.00 0.00 H new ATOM 2309 N GLY A 146 -11.146 -1.145 -11.784 1.00 0.00 N ATOM 2310 CA GLY A 146 -11.322 -0.041 -10.859 1.00 0.00 C ATOM 2311 C GLY A 146 -10.437 1.143 -11.194 1.00 0.00 C ATOM 2312 O GLY A 146 -10.755 2.282 -10.852 1.00 0.00 O ATOM 0 H GLY A 146 -11.169 -2.071 -11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -12.365 0.275 -10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -11.102 -0.380 -9.847 1.00 0.00 H new ATOM 2316 N LEU A 147 -9.322 0.875 -11.865 1.00 0.00 N ATOM 2317 CA LEU A 147 -8.386 1.927 -12.246 1.00 0.00 C ATOM 2318 C LEU A 147 -8.803 2.576 -13.562 1.00 0.00 C ATOM 2319 O LEU A 147 -7.967 2.849 -14.423 1.00 0.00 O ATOM 2320 CB LEU A 147 -6.972 1.359 -12.370 1.00 0.00 C ATOM 2321 CG LEU A 147 -6.505 0.463 -11.222 1.00 0.00 C ATOM 2322 CD1 LEU A 147 -5.144 -0.140 -11.535 1.00 0.00 C ATOM 2323 CD2 LEU A 147 -6.455 1.249 -9.920 1.00 0.00 C ATOM 0 H LEU A 147 -9.044 -0.062 -12.156 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.397 2.689 -11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.911 0.789 -13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -6.274 2.192 -12.461 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.222 -0.350 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -4.828 -0.774 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -5.211 -0.737 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -4.416 0.659 -11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.121 0.596 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.760 2.082 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -7.449 1.633 -9.688 1.00 0.00 H new ATOM 2335 N MET A 148 -10.101 2.822 -13.709 1.00 0.00 N ATOM 2336 CA MET A 148 -10.628 3.443 -14.919 1.00 0.00 C ATOM 2337 C MET A 148 -10.984 4.905 -14.669 1.00 0.00 C ATOM 2338 O MET A 148 -10.798 5.757 -15.538 1.00 0.00 O ATOM 2339 CB MET A 148 -11.861 2.682 -15.412 1.00 0.00 C ATOM 2340 CG MET A 148 -12.911 2.465 -14.336 1.00 0.00 C ATOM 2341 SD MET A 148 -14.572 2.278 -15.014 1.00 0.00 S ATOM 2342 CE MET A 148 -14.450 0.658 -15.767 1.00 0.00 C ATOM 0 H MET A 148 -10.806 2.601 -13.006 1.00 0.00 H new ATOM 0 HA MET A 148 -9.854 3.402 -15.686 1.00 0.00 H new ATOM 0 HB2 MET A 148 -12.309 3.231 -16.240 1.00 0.00 H new ATOM 0 HB3 MET A 148 -11.548 1.714 -15.803 1.00 0.00 H new ATOM 0 HG2 MET A 148 -12.656 1.576 -13.759 1.00 0.00 H new ATOM 0 HG3 MET A 148 -12.897 3.308 -13.645 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.402 0.399 -16.230 1.00 0.00 H new ATOM 0 HE2 MET A 148 -13.668 0.668 -16.526 1.00 0.00 H new ATOM 0 HE3 MET A 148 -14.205 -0.081 -15.004 1.00 0.00 H new ATOM 2352 N LYS A 149 -11.498 5.188 -13.477 1.00 0.00 N ATOM 2353 CA LYS A 149 -11.880 6.547 -13.112 1.00 0.00 C ATOM 2354 C LYS A 149 -11.325 6.918 -11.741 1.00 0.00 C ATOM 2355 O LYS A 149 -12.073 7.039 -10.771 1.00 0.00 O ATOM 2356 CB LYS A 149 -13.404 6.688 -13.113 1.00 0.00 C ATOM 2357 CG LYS A 149 -13.882 8.121 -12.953 1.00 0.00 C ATOM 2358 CD LYS A 149 -13.947 8.840 -14.290 1.00 0.00 C ATOM 2359 CE LYS A 149 -14.008 10.349 -14.109 1.00 0.00 C ATOM 2360 NZ LYS A 149 -12.763 10.884 -13.490 1.00 0.00 N ATOM 0 H LYS A 149 -11.660 4.494 -12.747 1.00 0.00 H new ATOM 0 HA LYS A 149 -11.458 7.228 -13.851 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -13.797 6.285 -14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -13.817 6.084 -12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -14.868 8.127 -12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -13.210 8.657 -12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -13.073 8.579 -14.887 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -14.824 8.503 -14.843 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -14.166 10.825 -15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -14.864 10.606 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -12.671 11.895 -13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -12.808 10.761 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -11.940 10.370 -13.865 1.00 0.00 H new ATOM 2374 N GLN A 150 -10.011 7.099 -11.668 1.00 0.00 N ATOM 2375 CA GLN A 150 -9.357 7.457 -10.415 1.00 0.00 C ATOM 2376 C GLN A 150 -9.950 8.738 -9.839 1.00 0.00 C ATOM 2377 O GLN A 150 -10.632 9.487 -10.537 1.00 0.00 O ATOM 2378 CB GLN A 150 -7.853 7.631 -10.632 1.00 0.00 C ATOM 2379 CG GLN A 150 -7.172 6.392 -11.192 1.00 0.00 C ATOM 2380 CD GLN A 150 -7.385 5.167 -10.325 1.00 0.00 C ATOM 2381 OE1 GLN A 150 -8.600 4.630 -10.346 1.00 0.00 O flip ATOM 2382 NE2 GLN A 150 -6.468 4.707 -9.644 1.00 0.00 N flip ATOM 0 H GLN A 150 -9.378 7.004 -12.462 1.00 0.00 H new ATOM 0 HA GLN A 150 -9.523 6.648 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.687 8.466 -11.313 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -7.386 7.895 -9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -7.553 6.194 -12.194 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -6.103 6.582 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.550 5.151 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.626 3.882 -9.066 1.00 0.00 H new ATOM 2391 N ASN A 151 -9.687 8.983 -8.559 1.00 0.00 N ATOM 2392 CA ASN A 151 -10.196 10.174 -7.888 1.00 0.00 C ATOM 2393 C ASN A 151 -9.846 11.433 -8.674 1.00 0.00 C ATOM 2394 O ASN A 151 -8.770 11.531 -9.265 1.00 0.00 O ATOM 2395 CB ASN A 151 -9.627 10.269 -6.471 1.00 0.00 C ATOM 2396 CG ASN A 151 -8.161 9.885 -6.410 1.00 0.00 C ATOM 2397 OD1 ASN A 151 -7.452 9.934 -7.416 1.00 0.00 O ATOM 2398 ND2 ASN A 151 -7.699 9.499 -5.226 1.00 0.00 N ATOM 0 H ASN A 151 -9.125 8.373 -7.966 1.00 0.00 H new ATOM 0 HA ASN A 151 -11.282 10.093 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 151 -9.749 11.287 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 151 -10.198 9.618 -5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 151 -6.721 9.228 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 151 -8.322 9.474 -4.419 1.00 0.00 H new ATOM 2405 N LYS A 152 -10.761 12.396 -8.677 1.00 0.00 N ATOM 2406 CA LYS A 152 -10.550 13.651 -9.389 1.00 0.00 C ATOM 2407 C LYS A 152 -9.828 14.663 -8.505 1.00 0.00 C ATOM 2408 O LYS A 152 -8.902 15.340 -8.950 1.00 0.00 O ATOM 2409 CB LYS A 152 -11.889 14.229 -9.855 1.00 0.00 C ATOM 2410 CG LYS A 152 -12.488 13.494 -11.041 1.00 0.00 C ATOM 2411 CD LYS A 152 -13.610 14.293 -11.683 1.00 0.00 C ATOM 2412 CE LYS A 152 -13.068 15.431 -12.534 1.00 0.00 C ATOM 2413 NZ LYS A 152 -14.158 16.182 -13.215 1.00 0.00 N ATOM 0 H LYS A 152 -11.657 12.331 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 152 -9.927 13.445 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -12.596 14.201 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -11.750 15.277 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -11.711 13.298 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -12.869 12.526 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -14.220 13.634 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -14.261 14.696 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -12.495 16.113 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -12.381 15.031 -13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -13.748 16.949 -13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -14.690 15.537 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -14.799 16.585 -12.503 1.00 0.00 H new ATOM 2427 N ALA A 153 -10.257 14.758 -7.251 1.00 0.00 N ATOM 2428 CA ALA A 153 -9.649 15.685 -6.304 1.00 0.00 C ATOM 2429 C ALA A 153 -8.153 15.828 -6.560 1.00 0.00 C ATOM 2430 O ALA A 153 -7.666 16.917 -6.863 1.00 0.00 O ATOM 2431 CB ALA A 153 -9.900 15.221 -4.876 1.00 0.00 C ATOM 0 H ALA A 153 -11.023 14.205 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 153 -10.110 16.663 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 153 -9.441 15.922 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 153 -10.973 15.177 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 153 -9.466 14.231 -4.733 1.00 0.00 H new ATOM 2437 N VAL A 154 -7.427 14.721 -6.435 1.00 0.00 N ATOM 2438 CA VAL A 154 -5.986 14.723 -6.654 1.00 0.00 C ATOM 2439 C VAL A 154 -5.636 14.143 -8.019 1.00 0.00 C ATOM 2440 O VAL A 154 -4.663 14.556 -8.650 1.00 0.00 O ATOM 2441 CB VAL A 154 -5.252 13.920 -5.564 1.00 0.00 C ATOM 2442 CG1 VAL A 154 -5.635 12.449 -5.634 1.00 0.00 C ATOM 2443 CG2 VAL A 154 -3.746 14.093 -5.697 1.00 0.00 C ATOM 0 H VAL A 154 -7.814 13.811 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 154 -5.661 15.763 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.555 14.304 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -5.106 11.898 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -6.710 12.345 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -5.364 12.048 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.244 13.519 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -3.424 13.737 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.490 15.147 -5.592 1.00 0.00 H new TER 2453 VAL A 154