USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 812 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 24 TYR OH : rot -82:sc= 1.81 USER MOD Set 1.2: A 62 CYS SG : rot 109:sc= -0.924 USER MOD Set 2.1: A 58 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc=-0.00177 X(o=-0.0018,f=-0.098) USER MOD Set 3.1: A 54 ASN : amide:sc= 0.35 K(o=1.1,f=-7.9!) USER MOD Set 3.2: A 56 THR OG1 : rot -31:sc= 0.747 USER MOD Set 4.1: A 49 TYR OH : rot -115:sc= 1.11 USER MOD Set 4.2: A 106 HIS : no HE2:sc= 0.205 K(o=1.3,f=-2.6!) USER MOD Set 5.1: A 39 THR OG1 : rot 70:sc= 1.17 USER MOD Set 5.2: A 83 HIS : no HE2:sc= 1.45 K(o=2.6,f=-8.5!) USER MOD Set 6.1: A 11 GLN : amide:sc= 0.863 K(o=1.9,f=-0.57) USER MOD Set 6.2: A 19 TYR OH : rot 96:sc= 0.995 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0819 (180deg=-0.194) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0179 (180deg=-0.183) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 169:sc=-0.00532 (180deg=-0.167) USER MOD Single : A 5 GLN : amide:sc= 0.394 K(o=0.39,f=-3.3!) USER MOD Single : A 6 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0.942 (180deg=0.904) USER MOD Single : A 9 ASN : amide:sc= -0.85 K(o=-0.85,f=-2.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.16) USER MOD Single : A 17 SER OG : rot 78:sc= 0.767 USER MOD Single : A 20 MET CE :methyl 174:sc= 0 (180deg=-0.0355) USER MOD Single : A 21 SER OG : rot -16:sc= 0.876 USER MOD Single : A 22 GLN : amide:sc= 0.0478 K(o=0.048,f=-6.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.1) USER MOD Single : A 34 THR OG1 : rot 61:sc= 1.04 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 149:sc= 0.867 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -169:sc= -1.79 USER MOD Single : A 55 SER OG : rot -52:sc= 0.64 USER MOD Single : A 66 THR OG1 : rot -90:sc= 0.67 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 15:sc= -0.101 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -136:sc= -0.197 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 2.09 (180deg=1.82) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.109 USER MOD Single : A 94 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 98 MET CE :methyl -179:sc= -0.127 (180deg=-0.127) USER MOD Single : A 107 HIS : no HE2:sc= 0.894 K(o=0.89,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.062 -2.241 0.209 1.00 0.00 N ATOM 2 CA MET A 1 -0.646 -3.675 0.213 1.00 0.00 C ATOM 3 C MET A 1 -1.713 -4.577 -0.437 1.00 0.00 C ATOM 4 O MET A 1 -1.390 -5.609 -1.027 1.00 0.00 O ATOM 5 CB MET A 1 -0.370 -4.144 1.640 1.00 0.00 C ATOM 6 CG MET A 1 0.810 -3.457 2.312 1.00 0.00 C ATOM 7 SD MET A 1 2.356 -3.692 1.412 1.00 0.00 S ATOM 8 CE MET A 1 2.650 -5.436 1.694 1.00 0.00 C ATOM 0 H1 MET A 1 -0.264 -1.647 0.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.353 -1.967 -0.751 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.859 -2.109 0.864 1.00 0.00 H new ATOM 0 HA MET A 1 0.268 -3.754 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.263 -3.978 2.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.190 -5.219 1.627 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.603 -2.390 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.922 -3.843 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.632 -5.707 1.306 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.613 -5.643 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.885 -6.021 1.184 1.00 0.00 H new ATOM 20 N SER A 2 -2.979 -4.174 -0.335 1.00 0.00 N ATOM 21 CA SER A 2 -4.114 -4.977 -0.834 1.00 0.00 C ATOM 22 C SER A 2 -4.080 -5.181 -2.360 1.00 0.00 C ATOM 23 O SER A 2 -4.695 -6.115 -2.881 1.00 0.00 O ATOM 24 CB SER A 2 -5.420 -4.321 -0.430 1.00 0.00 C ATOM 25 OG SER A 2 -5.605 -3.084 -1.061 1.00 0.00 O ATOM 0 H SER A 2 -3.254 -3.289 0.091 1.00 0.00 H new ATOM 0 HA SER A 2 -4.031 -5.965 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.250 -4.982 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.436 -4.182 0.651 1.00 0.00 H new ATOM 0 HG SER A 2 -6.458 -2.695 -0.775 1.00 0.00 H new ATOM 31 N TRP A 3 -3.378 -4.303 -3.076 1.00 0.00 N ATOM 32 CA TRP A 3 -3.160 -4.486 -4.519 1.00 0.00 C ATOM 33 C TRP A 3 -2.529 -5.850 -4.849 1.00 0.00 C ATOM 34 O TRP A 3 -2.779 -6.411 -5.918 1.00 0.00 O ATOM 35 CB TRP A 3 -2.278 -3.361 -5.063 1.00 0.00 C ATOM 36 CG TRP A 3 -0.861 -3.424 -4.577 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.355 -2.827 -3.461 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.230 -4.122 -5.190 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.983 -3.109 -3.340 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.366 -3.905 -4.391 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.354 -4.913 -6.339 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.606 -4.441 -4.699 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.597 -5.452 -6.647 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.690 -5.224 -5.851 1.00 0.00 C ATOM 0 H TRP A 3 -2.951 -3.462 -2.688 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.138 -4.455 -4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.282 -3.401 -6.152 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.709 -2.402 -4.778 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -0.924 -2.220 -2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.593 -2.781 -2.591 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.500 -5.100 -6.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.469 -4.261 -4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.704 -6.063 -7.531 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.639 -5.661 -6.122 1.00 0.00 H new ATOM 55 N MET A 4 -1.728 -6.390 -3.931 1.00 0.00 N ATOM 56 CA MET A 4 -1.063 -7.678 -4.169 1.00 0.00 C ATOM 57 C MET A 4 -2.116 -8.777 -4.392 1.00 0.00 C ATOM 58 O MET A 4 -2.040 -9.551 -5.354 1.00 0.00 O ATOM 59 CB MET A 4 -0.152 -8.035 -2.997 1.00 0.00 C ATOM 60 CG MET A 4 1.074 -7.143 -2.858 1.00 0.00 C ATOM 61 SD MET A 4 2.001 -7.465 -1.345 1.00 0.00 S ATOM 62 CE MET A 4 2.648 -9.099 -1.685 1.00 0.00 C ATOM 0 H MET A 4 -1.523 -5.965 -3.026 1.00 0.00 H new ATOM 0 HA MET A 4 -0.446 -7.597 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.730 -7.983 -2.074 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.177 -9.068 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.727 -7.293 -3.718 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.762 -6.099 -2.873 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.397 -9.357 -0.936 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.836 -9.826 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.105 -9.111 -2.674 1.00 0.00 H new ATOM 72 N GLN A 5 -3.091 -8.850 -3.479 1.00 0.00 N ATOM 73 CA GLN A 5 -4.230 -9.765 -3.622 1.00 0.00 C ATOM 74 C GLN A 5 -5.066 -9.425 -4.863 1.00 0.00 C ATOM 75 O GLN A 5 -5.453 -10.310 -5.618 1.00 0.00 O ATOM 76 CB GLN A 5 -5.133 -9.703 -2.376 1.00 0.00 C ATOM 77 CG GLN A 5 -4.558 -10.399 -1.152 1.00 0.00 C ATOM 78 CD GLN A 5 -5.418 -10.233 0.094 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.189 -9.286 0.214 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.313 -11.164 1.021 1.00 0.00 N ATOM 0 H GLN A 5 -3.114 -8.285 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.826 -10.771 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.322 -8.658 -2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.096 -10.153 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.443 -11.461 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.562 -10.005 -0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.663 -11.940 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.882 -11.109 1.866 1.00 0.00 H new ATOM 89 N ASN A 6 -5.313 -8.128 -5.065 1.00 0.00 N ATOM 90 CA ASN A 6 -6.142 -7.634 -6.180 1.00 0.00 C ATOM 91 C ASN A 6 -5.655 -8.151 -7.546 1.00 0.00 C ATOM 92 O ASN A 6 -6.440 -8.281 -8.485 1.00 0.00 O ATOM 93 CB ASN A 6 -6.195 -6.117 -6.192 1.00 0.00 C ATOM 94 CG ASN A 6 -7.051 -5.534 -5.102 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.889 -6.221 -4.509 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.902 -4.250 -4.894 1.00 0.00 N ATOM 0 H ASN A 6 -4.947 -7.389 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.146 -8.025 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.182 -5.726 -6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.574 -5.783 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.494 -3.771 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.194 -3.728 -5.411 1.00 0.00 H new ATOM 103 N LEU A 7 -4.362 -8.438 -7.651 1.00 0.00 N ATOM 104 CA LEU A 7 -3.811 -9.066 -8.858 1.00 0.00 C ATOM 105 C LEU A 7 -3.949 -10.597 -8.799 1.00 0.00 C ATOM 106 O LEU A 7 -4.660 -11.201 -9.601 1.00 0.00 O ATOM 107 CB LEU A 7 -2.341 -8.666 -9.036 1.00 0.00 C ATOM 108 CG LEU A 7 -2.097 -7.176 -9.306 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.601 -6.891 -9.345 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.755 -6.783 -10.620 1.00 0.00 C ATOM 0 H LEU A 7 -3.674 -8.249 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.380 -8.712 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.793 -8.951 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.922 -9.242 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.536 -6.584 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.438 -5.831 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.154 -7.159 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.139 -7.479 -10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.581 -5.724 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.329 -7.373 -11.431 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.827 -6.970 -10.560 1.00 0.00 H new ATOM 122 N LYS A 8 -3.277 -11.207 -7.820 1.00 0.00 N ATOM 123 CA LYS A 8 -3.092 -12.665 -7.758 1.00 0.00 C ATOM 124 C LYS A 8 -4.384 -13.441 -7.368 1.00 0.00 C ATOM 125 O LYS A 8 -4.416 -14.669 -7.449 1.00 0.00 O ATOM 126 CB LYS A 8 -1.970 -12.995 -6.772 1.00 0.00 C ATOM 127 CG LYS A 8 -2.316 -12.727 -5.313 1.00 0.00 C ATOM 128 CD LYS A 8 -1.114 -12.957 -4.409 1.00 0.00 C ATOM 129 CE LYS A 8 -1.289 -12.261 -3.067 1.00 0.00 C ATOM 130 NZ LYS A 8 -0.053 -12.329 -2.241 1.00 0.00 N ATOM 0 H LYS A 8 -2.844 -10.706 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.830 -12.992 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.703 -14.046 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.087 -12.413 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.666 -11.701 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.135 -13.378 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.975 -14.026 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.213 -12.587 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.559 -11.218 -3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.114 -12.722 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.172 -11.745 -1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.125 -13.315 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.754 -11.975 -2.793 1.00 0.00 H new ATOM 144 N ASN A 9 -5.442 -12.738 -6.936 1.00 0.00 N ATOM 145 CA ASN A 9 -6.713 -13.397 -6.578 1.00 0.00 C ATOM 146 C ASN A 9 -7.327 -14.132 -7.778 1.00 0.00 C ATOM 147 O ASN A 9 -8.105 -15.070 -7.610 1.00 0.00 O ATOM 148 CB ASN A 9 -7.712 -12.404 -6.013 1.00 0.00 C ATOM 149 CG ASN A 9 -7.457 -12.041 -4.576 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.689 -12.708 -3.873 1.00 0.00 O ATOM 151 ND2 ASN A 9 -8.157 -11.036 -4.115 1.00 0.00 N ATOM 0 H ASN A 9 -5.447 -11.724 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.480 -14.132 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.690 -11.497 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.715 -12.821 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.083 -10.771 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.777 -10.518 -4.738 1.00 0.00 H new ATOM 158 N TYR A 10 -6.978 -13.690 -8.984 1.00 0.00 N ATOM 159 CA TYR A 10 -7.533 -14.269 -10.212 1.00 0.00 C ATOM 160 C TYR A 10 -6.508 -14.275 -11.354 1.00 0.00 C ATOM 161 O TYR A 10 -5.566 -13.482 -11.368 1.00 0.00 O ATOM 162 CB TYR A 10 -8.785 -13.500 -10.641 1.00 0.00 C ATOM 163 CG TYR A 10 -8.555 -12.019 -10.847 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.047 -11.537 -12.043 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.851 -11.109 -9.844 1.00 0.00 C ATOM 166 CE1 TYR A 10 -7.835 -10.185 -12.236 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.643 -9.755 -10.026 1.00 0.00 C ATOM 168 CZ TYR A 10 -8.135 -9.297 -11.224 1.00 0.00 C ATOM 169 OH TYR A 10 -7.928 -7.949 -11.410 1.00 0.00 O ATOM 0 H TYR A 10 -6.313 -12.932 -9.141 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.798 -15.304 -9.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.164 -13.931 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.559 -13.636 -9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.813 -12.230 -12.838 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.251 -11.464 -8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.437 -9.826 -13.174 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.877 -9.059 -9.234 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.191 -7.463 -10.601 1.00 0.00 H new ATOM 179 N GLN A 11 -6.710 -15.171 -12.314 1.00 0.00 N ATOM 180 CA GLN A 11 -5.858 -15.237 -13.501 1.00 0.00 C ATOM 181 C GLN A 11 -6.612 -14.729 -14.742 1.00 0.00 C ATOM 182 O GLN A 11 -7.285 -15.499 -15.432 1.00 0.00 O ATOM 183 CB GLN A 11 -5.375 -16.672 -13.733 1.00 0.00 C ATOM 184 CG GLN A 11 -4.461 -16.833 -14.936 1.00 0.00 C ATOM 185 CD GLN A 11 -3.247 -15.926 -14.867 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.538 -15.892 -13.858 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.003 -15.184 -15.941 1.00 0.00 N ATOM 0 H GLN A 11 -7.458 -15.864 -12.295 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.993 -14.596 -13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.849 -17.015 -12.842 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.242 -17.320 -13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.133 -17.870 -15.003 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.021 -16.617 -15.846 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.617 -15.245 -16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.202 -14.553 -15.954 1.00 0.00 H new ATOM 196 N HIS A 12 -6.522 -13.428 -15.015 1.00 0.00 N ATOM 197 CA HIS A 12 -7.107 -12.863 -16.240 1.00 0.00 C ATOM 198 C HIS A 12 -6.044 -12.379 -17.241 1.00 0.00 C ATOM 199 O HIS A 12 -6.233 -12.496 -18.450 1.00 0.00 O ATOM 200 CB HIS A 12 -8.050 -11.708 -15.893 1.00 0.00 C ATOM 201 CG HIS A 12 -9.297 -12.140 -15.187 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.170 -11.246 -14.603 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.818 -13.371 -14.969 1.00 0.00 C ATOM 204 CE1 HIS A 12 -11.175 -11.909 -14.057 1.00 0.00 C ATOM 205 NE2 HIS A 12 -10.984 -13.199 -14.265 1.00 0.00 N ATOM 0 H HIS A 12 -6.056 -12.748 -14.415 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.663 -13.668 -16.721 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.518 -10.992 -15.266 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.324 -11.187 -16.810 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.395 -14.312 -15.289 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.010 -11.470 -13.531 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.603 -13.947 -13.953 1.00 0.00 H new ATOM 210 N LEU A 13 -4.926 -11.845 -16.754 1.00 0.00 N ATOM 211 CA LEU A 13 -3.897 -11.308 -17.653 1.00 0.00 C ATOM 212 C LEU A 13 -2.560 -12.054 -17.485 1.00 0.00 C ATOM 213 O LEU A 13 -2.307 -12.653 -16.441 1.00 0.00 O ATOM 214 CB LEU A 13 -3.709 -9.807 -17.398 1.00 0.00 C ATOM 215 CG LEU A 13 -4.965 -8.948 -17.593 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.680 -7.508 -17.191 1.00 0.00 C ATOM 217 CD2 LEU A 13 -5.415 -9.025 -19.044 1.00 0.00 C ATOM 0 H LEU A 13 -4.708 -11.771 -15.760 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.232 -11.456 -18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.350 -9.670 -16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.929 -9.437 -18.063 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.766 -9.327 -16.958 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.578 -6.906 -17.333 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.383 -7.475 -16.143 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.875 -7.110 -17.809 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.307 -8.414 -19.181 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.620 -8.656 -19.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.641 -10.060 -19.300 1.00 0.00 H new ATOM 229 N ARG A 14 -1.718 -12.039 -18.521 1.00 0.00 N ATOM 230 CA ARG A 14 -0.384 -12.653 -18.446 1.00 0.00 C ATOM 231 C ARG A 14 0.649 -11.755 -17.743 1.00 0.00 C ATOM 232 O ARG A 14 1.840 -12.071 -17.751 1.00 0.00 O ATOM 233 CB ARG A 14 0.110 -13.085 -19.818 1.00 0.00 C ATOM 234 CG ARG A 14 -0.684 -14.213 -20.457 1.00 0.00 C ATOM 235 CD ARG A 14 -0.219 -14.595 -21.816 1.00 0.00 C ATOM 236 NE ARG A 14 -1.041 -15.598 -22.475 1.00 0.00 N ATOM 237 CZ ARG A 14 -0.821 -16.074 -23.715 1.00 0.00 C ATOM 238 NH1 ARG A 14 0.169 -15.616 -24.451 1.00 0.00 N ATOM 239 NH2 ARG A 14 -1.642 -16.997 -24.185 1.00 0.00 N ATOM 0 H ARG A 14 -1.933 -11.610 -19.421 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.495 -13.545 -17.829 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.089 -12.222 -20.484 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.151 -13.396 -19.732 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.635 -15.088 -19.809 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.732 -13.917 -20.514 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.188 -13.702 -22.440 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.802 -14.970 -21.745 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.841 -15.967 -21.961 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.784 -14.889 -24.084 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.322 -15.988 -25.389 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.417 -17.330 -23.612 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.500 -17.376 -25.121 1.00 0.00 H new ATOM 253 N ASP A 15 0.213 -10.661 -17.120 1.00 0.00 N ATOM 254 CA ASP A 15 1.151 -9.751 -16.438 1.00 0.00 C ATOM 255 C ASP A 15 1.904 -10.438 -15.284 1.00 0.00 C ATOM 256 O ASP A 15 1.298 -10.872 -14.311 1.00 0.00 O ATOM 257 CB ASP A 15 0.406 -8.523 -15.911 1.00 0.00 C ATOM 258 CG ASP A 15 1.307 -7.440 -15.333 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.474 -7.698 -15.156 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.863 -6.322 -15.222 1.00 0.00 O ATOM 0 H ASP A 15 -0.766 -10.380 -17.069 1.00 0.00 H new ATOM 0 HA ASP A 15 1.893 -9.446 -17.176 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.182 -8.094 -16.722 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.297 -8.842 -15.142 1.00 0.00 H new ATOM 265 N PRO A 16 3.256 -10.492 -15.353 1.00 0.00 N ATOM 266 CA PRO A 16 4.084 -11.095 -14.289 1.00 0.00 C ATOM 267 C PRO A 16 3.809 -10.483 -12.906 1.00 0.00 C ATOM 268 O PRO A 16 4.060 -11.109 -11.874 1.00 0.00 O ATOM 269 CB PRO A 16 5.522 -10.833 -14.749 1.00 0.00 C ATOM 270 CG PRO A 16 5.425 -10.743 -16.234 1.00 0.00 C ATOM 271 CD PRO A 16 4.108 -10.066 -16.508 1.00 0.00 C ATOM 0 HA PRO A 16 3.868 -12.155 -14.158 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.915 -9.911 -14.320 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.190 -11.638 -14.442 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.255 -10.170 -16.648 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.461 -11.732 -16.691 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.214 -8.982 -16.552 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.683 -10.383 -17.460 1.00 0.00 H new ATOM 279 N SER A 17 3.289 -9.253 -12.895 1.00 0.00 N ATOM 280 CA SER A 17 2.990 -8.535 -11.647 1.00 0.00 C ATOM 281 C SER A 17 2.093 -9.359 -10.710 1.00 0.00 C ATOM 282 O SER A 17 2.218 -9.273 -9.490 1.00 0.00 O ATOM 283 CB SER A 17 2.337 -7.203 -11.962 1.00 0.00 C ATOM 284 OG SER A 17 3.165 -6.382 -12.741 1.00 0.00 O ATOM 0 H SER A 17 3.064 -8.728 -13.740 1.00 0.00 H new ATOM 0 HA SER A 17 3.933 -8.365 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.398 -7.375 -12.489 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.091 -6.691 -11.032 1.00 0.00 H new ATOM 0 HG SER A 17 3.140 -6.682 -13.673 1.00 0.00 H new ATOM 290 N GLU A 18 1.193 -10.162 -11.282 1.00 0.00 N ATOM 291 CA GLU A 18 0.320 -11.035 -10.489 1.00 0.00 C ATOM 292 C GLU A 18 1.162 -12.046 -9.675 1.00 0.00 C ATOM 293 O GLU A 18 0.822 -12.397 -8.538 1.00 0.00 O ATOM 294 CB GLU A 18 -0.669 -11.771 -11.395 1.00 0.00 C ATOM 295 CG GLU A 18 -1.704 -10.871 -12.058 1.00 0.00 C ATOM 296 CD GLU A 18 -2.527 -11.632 -13.059 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.259 -12.792 -13.262 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.493 -11.087 -13.541 1.00 0.00 O ATOM 0 H GLU A 18 1.049 -10.227 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.246 -10.416 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.111 -12.296 -12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.187 -12.529 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.357 -10.442 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.202 -10.039 -12.553 1.00 0.00 H new ATOM 305 N TYR A 19 2.292 -12.466 -10.243 1.00 0.00 N ATOM 306 CA TYR A 19 3.152 -13.476 -9.613 1.00 0.00 C ATOM 307 C TYR A 19 4.268 -12.818 -8.790 1.00 0.00 C ATOM 308 O TYR A 19 4.851 -13.434 -7.902 1.00 0.00 O ATOM 309 CB TYR A 19 3.780 -14.381 -10.674 1.00 0.00 C ATOM 310 CG TYR A 19 2.778 -15.028 -11.612 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.195 -16.252 -11.310 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.436 -14.421 -12.814 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.307 -16.853 -12.181 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.545 -15.015 -13.686 1.00 0.00 C ATOM 315 CZ TYR A 19 0.984 -16.231 -13.367 1.00 0.00 C ATOM 316 OH TYR A 19 0.105 -16.828 -14.240 1.00 0.00 O ATOM 0 H TYR A 19 2.637 -12.124 -11.140 1.00 0.00 H new ATOM 0 HA TYR A 19 2.526 -14.071 -8.948 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.486 -13.796 -11.263 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.352 -15.164 -10.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.440 -16.742 -10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.875 -13.468 -13.071 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.867 -17.808 -11.933 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.289 -14.527 -14.615 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.796 -16.472 -14.092 1.00 0.00 H new ATOM 326 N MET A 20 4.569 -11.561 -9.097 1.00 0.00 N ATOM 327 CA MET A 20 5.482 -10.765 -8.272 1.00 0.00 C ATOM 328 C MET A 20 4.772 -10.311 -6.984 1.00 0.00 C ATOM 329 O MET A 20 5.407 -10.006 -5.977 1.00 0.00 O ATOM 330 CB MET A 20 5.997 -9.560 -9.057 1.00 0.00 C ATOM 331 CG MET A 20 6.905 -9.911 -10.226 1.00 0.00 C ATOM 332 SD MET A 20 7.393 -8.463 -11.186 1.00 0.00 S ATOM 333 CE MET A 20 8.388 -9.225 -12.465 1.00 0.00 C ATOM 0 H MET A 20 4.197 -11.068 -9.909 1.00 0.00 H new ATOM 0 HA MET A 20 6.337 -11.383 -7.997 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.144 -8.995 -9.433 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.539 -8.903 -8.376 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.798 -10.411 -9.850 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.394 -10.619 -10.878 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.675 -8.472 -13.199 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.284 -9.658 -12.020 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.812 -10.009 -12.955 1.00 0.00 H new ATOM 343 N SER A 21 3.440 -10.263 -7.043 1.00 0.00 N ATOM 344 CA SER A 21 2.608 -10.020 -5.858 1.00 0.00 C ATOM 345 C SER A 21 2.341 -11.330 -5.101 1.00 0.00 C ATOM 346 O SER A 21 2.103 -11.318 -3.896 1.00 0.00 O ATOM 347 CB SER A 21 1.303 -9.363 -6.260 1.00 0.00 C ATOM 348 OG SER A 21 0.514 -10.204 -7.057 1.00 0.00 O ATOM 0 H SER A 21 2.909 -10.390 -7.905 1.00 0.00 H new ATOM 0 HA SER A 21 3.147 -9.347 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.746 -9.085 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.513 -8.442 -6.803 1.00 0.00 H new ATOM 0 HG SER A 21 1.064 -10.939 -7.401 1.00 0.00 H new ATOM 354 N GLN A 22 2.362 -12.455 -5.827 1.00 0.00 N ATOM 355 CA GLN A 22 2.392 -13.789 -5.200 1.00 0.00 C ATOM 356 C GLN A 22 3.603 -13.934 -4.259 1.00 0.00 C ATOM 357 O GLN A 22 3.465 -14.306 -3.091 1.00 0.00 O ATOM 358 CB GLN A 22 2.435 -14.884 -6.270 1.00 0.00 C ATOM 359 CG GLN A 22 2.515 -16.295 -5.713 1.00 0.00 C ATOM 360 CD GLN A 22 2.700 -17.337 -6.801 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.809 -17.006 -7.985 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.730 -18.604 -6.405 1.00 0.00 N ATOM 0 H GLN A 22 2.359 -12.472 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 22 1.481 -13.899 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.545 -14.802 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.295 -14.711 -6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.344 -16.358 -5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.605 -16.514 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.636 -18.831 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.847 -19.350 -7.091 1.00 0.00 H new ATOM 371 N VAL A 23 4.792 -13.644 -4.780 1.00 0.00 N ATOM 372 CA VAL A 23 6.021 -13.711 -3.985 1.00 0.00 C ATOM 373 C VAL A 23 7.064 -12.692 -4.473 1.00 0.00 C ATOM 374 O VAL A 23 7.311 -12.543 -5.670 1.00 0.00 O ATOM 375 CB VAL A 23 6.636 -15.123 -4.025 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.045 -15.486 -5.445 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.832 -15.209 -3.089 1.00 0.00 C ATOM 0 H VAL A 23 4.934 -13.360 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 23 5.744 -13.470 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 23 5.883 -15.836 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.477 -16.486 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.169 -15.463 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.782 -14.769 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.254 -16.213 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.587 -14.485 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.513 -14.991 -2.070 1.00 0.00 H new ATOM 387 N TYR A 24 7.679 -11.995 -3.522 1.00 0.00 N ATOM 388 CA TYR A 24 8.707 -10.988 -3.823 1.00 0.00 C ATOM 389 C TYR A 24 10.130 -11.576 -3.730 1.00 0.00 C ATOM 390 O TYR A 24 11.082 -10.867 -3.398 1.00 0.00 O ATOM 391 CB TYR A 24 8.571 -9.794 -2.876 1.00 0.00 C ATOM 392 CG TYR A 24 8.628 -10.165 -1.411 1.00 0.00 C ATOM 393 CD1 TYR A 24 9.839 -10.223 -0.737 1.00 0.00 C ATOM 394 CD2 TYR A 24 7.469 -10.454 -0.705 1.00 0.00 C ATOM 395 CE1 TYR A 24 9.897 -10.562 0.601 1.00 0.00 C ATOM 396 CE2 TYR A 24 7.514 -10.793 0.634 1.00 0.00 C ATOM 397 CZ TYR A 24 8.730 -10.846 1.284 1.00 0.00 C ATOM 398 OH TYR A 24 8.781 -11.183 2.617 1.00 0.00 O ATOM 0 H TYR A 24 7.485 -12.106 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 24 8.551 -10.656 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.366 -9.080 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.626 -9.289 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.753 -9.999 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.515 -10.413 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.849 -10.605 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.602 -11.015 1.169 1.00 0.00 H new ATOM 0 HH TYR A 24 9.004 -12.133 2.706 1.00 0.00 H new ATOM 408 N GLY A 25 10.273 -12.867 -4.035 1.00 0.00 N ATOM 409 CA GLY A 25 11.549 -13.554 -3.828 1.00 0.00 C ATOM 410 C GLY A 25 12.372 -13.776 -5.097 1.00 0.00 C ATOM 411 O GLY A 25 12.490 -12.886 -5.943 1.00 0.00 O ATOM 0 H GLY A 25 9.532 -13.452 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.146 -12.977 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.354 -14.521 -3.365 1.00 0.00 H new ATOM 415 N ASP A 26 12.951 -14.974 -5.215 1.00 0.00 N ATOM 416 CA ASP A 26 13.871 -15.316 -6.308 1.00 0.00 C ATOM 417 C ASP A 26 13.192 -15.310 -7.696 1.00 0.00 C ATOM 418 O ASP A 26 12.026 -15.687 -7.833 1.00 0.00 O ATOM 419 CB ASP A 26 14.500 -16.686 -6.045 1.00 0.00 C ATOM 420 CG ASP A 26 15.622 -16.677 -5.015 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.181 -15.631 -4.784 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.803 -17.672 -4.355 1.00 0.00 O ATOM 0 H ASP A 26 12.796 -15.736 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 26 14.639 -14.543 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.721 -17.371 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.889 -17.080 -6.984 1.00 0.00 H new ATOM 427 N PRO A 27 13.936 -14.880 -8.742 1.00 0.00 N ATOM 428 CA PRO A 27 13.425 -14.786 -10.127 1.00 0.00 C ATOM 429 C PRO A 27 12.725 -16.059 -10.627 1.00 0.00 C ATOM 430 O PRO A 27 11.654 -15.986 -11.232 1.00 0.00 O ATOM 431 CB PRO A 27 14.680 -14.477 -10.950 1.00 0.00 C ATOM 432 CG PRO A 27 15.555 -13.711 -10.019 1.00 0.00 C ATOM 433 CD PRO A 27 15.346 -14.339 -8.667 1.00 0.00 C ATOM 0 HA PRO A 27 12.646 -14.028 -10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.166 -15.391 -11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.439 -13.894 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.600 -13.771 -10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.287 -12.655 -10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.070 -15.131 -8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.454 -13.609 -7.865 1.00 0.00 H new ATOM 441 N LEU A 28 13.335 -17.218 -10.367 1.00 0.00 N ATOM 442 CA LEU A 28 12.847 -18.509 -10.885 1.00 0.00 C ATOM 443 C LEU A 28 11.468 -18.868 -10.302 1.00 0.00 C ATOM 444 O LEU A 28 10.674 -19.553 -10.949 1.00 0.00 O ATOM 445 CB LEU A 28 13.861 -19.618 -10.576 1.00 0.00 C ATOM 446 CG LEU A 28 15.182 -19.531 -11.350 1.00 0.00 C ATOM 447 CD1 LEU A 28 16.151 -20.593 -10.850 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.912 -19.703 -12.838 1.00 0.00 C ATOM 0 H LEU A 28 14.176 -17.294 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 28 12.735 -18.416 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.082 -19.599 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.397 -20.581 -10.788 1.00 0.00 H new ATOM 0 HG LEU A 28 15.635 -18.553 -11.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.086 -20.523 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.347 -20.436 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.715 -21.581 -10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.851 -19.641 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.452 -20.675 -13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.239 -18.916 -13.179 1.00 0.00 H new ATOM 460 N ALA A 29 11.188 -18.379 -9.098 1.00 0.00 N ATOM 461 CA ALA A 29 9.919 -18.652 -8.419 1.00 0.00 C ATOM 462 C ALA A 29 8.702 -18.160 -9.231 1.00 0.00 C ATOM 463 O ALA A 29 7.922 -18.965 -9.745 1.00 0.00 O ATOM 464 CB ALA A 29 9.927 -18.023 -7.030 1.00 0.00 C ATOM 0 H ALA A 29 11.826 -17.787 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 29 9.821 -19.734 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.980 -18.230 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.745 -18.443 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.062 -16.945 -7.120 1.00 0.00 H new ATOM 470 N TYR A 30 8.560 -16.841 -9.370 1.00 0.00 N ATOM 471 CA TYR A 30 7.434 -16.268 -10.120 1.00 0.00 C ATOM 472 C TYR A 30 7.611 -16.422 -11.641 1.00 0.00 C ATOM 473 O TYR A 30 6.642 -16.344 -12.392 1.00 0.00 O ATOM 474 CB TYR A 30 7.260 -14.789 -9.765 1.00 0.00 C ATOM 475 CG TYR A 30 8.458 -13.932 -10.107 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.649 -13.455 -11.396 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.395 -13.599 -9.140 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.741 -12.672 -11.715 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.490 -12.816 -9.446 1.00 0.00 C ATOM 480 CZ TYR A 30 10.661 -12.354 -10.735 1.00 0.00 C ATOM 481 OH TYR A 30 11.750 -11.574 -11.046 1.00 0.00 O ATOM 0 H TYR A 30 9.202 -16.152 -8.978 1.00 0.00 H new ATOM 0 HA TYR A 30 6.540 -16.822 -9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.386 -14.400 -10.288 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.057 -14.703 -8.698 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.930 -13.701 -12.164 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.266 -13.959 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.875 -12.311 -12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.209 -12.566 -8.680 1.00 0.00 H new ATOM 0 HH TYR A 30 12.298 -11.443 -10.244 1.00 0.00 H new ATOM 491 N LEU A 31 8.848 -16.639 -12.093 1.00 0.00 N ATOM 492 CA LEU A 31 9.115 -16.904 -13.514 1.00 0.00 C ATOM 493 C LEU A 31 8.498 -18.242 -13.955 1.00 0.00 C ATOM 494 O LEU A 31 7.750 -18.307 -14.939 1.00 0.00 O ATOM 495 CB LEU A 31 10.626 -16.898 -13.780 1.00 0.00 C ATOM 496 CG LEU A 31 11.036 -17.212 -15.225 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.465 -16.163 -16.169 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.552 -17.259 -15.324 1.00 0.00 C ATOM 0 H LEU A 31 9.679 -16.637 -11.501 1.00 0.00 H new ATOM 0 HA LEU A 31 8.650 -16.111 -14.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.022 -15.919 -13.511 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.098 -17.625 -13.119 1.00 0.00 H new ATOM 0 HG LEU A 31 10.636 -18.184 -15.514 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.761 -16.394 -17.192 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.377 -16.163 -16.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.847 -15.180 -15.894 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.843 -17.482 -16.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.966 -16.294 -15.031 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.936 -18.035 -14.661 1.00 0.00 H new ATOM 510 N GLN A 32 8.798 -19.307 -13.212 1.00 0.00 N ATOM 511 CA GLN A 32 8.269 -20.634 -13.530 1.00 0.00 C ATOM 512 C GLN A 32 6.751 -20.689 -13.318 1.00 0.00 C ATOM 513 O GLN A 32 6.045 -21.359 -14.066 1.00 0.00 O ATOM 514 CB GLN A 32 8.950 -21.702 -12.670 1.00 0.00 C ATOM 515 CG GLN A 32 10.429 -21.890 -12.968 1.00 0.00 C ATOM 516 CD GLN A 32 10.686 -22.231 -14.423 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.974 -23.045 -15.020 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.710 -21.615 -15.003 1.00 0.00 N ATOM 0 H GLN A 32 9.401 -19.278 -12.390 1.00 0.00 H new ATOM 0 HA GLN A 32 8.479 -20.833 -14.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.833 -21.436 -11.619 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.437 -22.653 -12.817 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.968 -20.978 -12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.826 -22.684 -12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.272 -20.950 -14.472 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.934 -21.807 -15.979 1.00 0.00 H new ATOM 527 N GLU A 33 6.250 -19.970 -12.314 1.00 0.00 N ATOM 528 CA GLU A 33 4.800 -19.872 -12.089 1.00 0.00 C ATOM 529 C GLU A 33 4.118 -19.072 -13.217 1.00 0.00 C ATOM 530 O GLU A 33 3.010 -19.398 -13.641 1.00 0.00 O ATOM 531 CB GLU A 33 4.514 -19.226 -10.731 1.00 0.00 C ATOM 532 CG GLU A 33 3.110 -19.479 -10.198 1.00 0.00 C ATOM 533 CD GLU A 33 3.026 -20.803 -9.489 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.163 -21.812 -10.136 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.937 -20.803 -8.283 1.00 0.00 O ATOM 0 H GLU A 33 6.818 -19.449 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 33 4.388 -20.881 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.238 -19.598 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.670 -18.150 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.829 -18.679 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.397 -19.459 -11.022 1.00 0.00 H new ATOM 542 N THR A 34 4.798 -18.038 -13.721 1.00 0.00 N ATOM 543 CA THR A 34 4.271 -17.226 -14.837 1.00 0.00 C ATOM 544 C THR A 34 4.148 -18.054 -16.125 1.00 0.00 C ATOM 545 O THR A 34 3.158 -17.955 -16.854 1.00 0.00 O ATOM 546 CB THR A 34 5.160 -16.000 -15.114 1.00 0.00 C ATOM 547 OG1 THR A 34 5.164 -15.139 -13.968 1.00 0.00 O ATOM 548 CG2 THR A 34 4.646 -15.231 -16.321 1.00 0.00 C ATOM 0 H THR A 34 5.712 -17.739 -13.380 1.00 0.00 H new ATOM 0 HA THR A 34 3.281 -16.887 -14.532 1.00 0.00 H new ATOM 0 HB THR A 34 6.173 -16.344 -15.320 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.535 -15.620 -13.199 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.286 -14.368 -16.502 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.655 -15.880 -17.197 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.627 -14.893 -16.130 1.00 0.00 H new ATOM 556 N THR A 35 5.168 -18.860 -16.403 1.00 0.00 N ATOM 557 CA THR A 35 5.228 -19.644 -17.650 1.00 0.00 C ATOM 558 C THR A 35 4.432 -20.964 -17.555 1.00 0.00 C ATOM 559 O THR A 35 3.892 -21.449 -18.557 1.00 0.00 O ATOM 560 CB THR A 35 6.684 -19.969 -18.032 1.00 0.00 C ATOM 561 OG1 THR A 35 7.300 -20.724 -16.980 1.00 0.00 O ATOM 562 CG2 THR A 35 7.473 -18.689 -18.261 1.00 0.00 C ATOM 0 H THR A 35 5.969 -18.993 -15.786 1.00 0.00 H new ATOM 0 HA THR A 35 4.773 -19.021 -18.420 1.00 0.00 H new ATOM 0 HB THR A 35 6.681 -20.552 -18.953 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.226 -20.931 -17.225 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.500 -18.938 -18.530 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.014 -18.118 -19.069 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.471 -18.092 -17.349 1.00 0.00 H new ATOM 570 N LYS A 36 4.338 -21.535 -16.355 1.00 0.00 N ATOM 571 CA LYS A 36 3.620 -22.806 -16.155 1.00 0.00 C ATOM 572 C LYS A 36 2.335 -22.647 -15.309 1.00 0.00 C ATOM 573 O LYS A 36 1.270 -23.139 -15.697 1.00 0.00 O ATOM 574 CB LYS A 36 4.549 -23.829 -15.500 1.00 0.00 C ATOM 575 CG LYS A 36 5.786 -24.172 -16.320 1.00 0.00 C ATOM 576 CD LYS A 36 5.410 -24.828 -17.640 1.00 0.00 C ATOM 577 CE LYS A 36 4.771 -26.192 -17.420 1.00 0.00 C ATOM 578 NZ LYS A 36 4.545 -26.914 -18.700 1.00 0.00 N ATOM 0 H LYS A 36 4.746 -21.144 -15.506 1.00 0.00 H new ATOM 0 HA LYS A 36 3.310 -23.154 -17.140 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.866 -23.445 -14.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.987 -24.744 -15.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.360 -23.266 -16.512 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.429 -24.842 -15.749 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.719 -24.184 -18.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.300 -24.937 -18.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.411 -26.792 -16.773 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.821 -26.068 -16.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.109 -27.838 -18.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.914 -26.354 -19.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.455 -27.056 -19.184 1.00 0.00 H new ATOM 592 N PHE A 37 2.454 -21.985 -14.150 1.00 0.00 N ATOM 593 CA PHE A 37 1.357 -21.865 -13.161 1.00 0.00 C ATOM 594 C PHE A 37 1.280 -23.113 -12.249 1.00 0.00 C ATOM 595 O PHE A 37 0.515 -23.157 -11.277 1.00 0.00 O ATOM 596 CB PHE A 37 0.006 -21.602 -13.868 1.00 0.00 C ATOM 597 CG PHE A 37 -1.078 -21.046 -12.971 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.176 -19.680 -12.750 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.000 -21.885 -12.357 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.167 -19.162 -11.935 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.991 -21.370 -11.543 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.075 -20.009 -11.331 1.00 0.00 C ATOM 0 H PHE A 37 3.313 -21.514 -13.865 1.00 0.00 H new ATOM 0 HA PHE A 37 1.575 -21.009 -12.523 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.171 -20.906 -14.690 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.347 -22.535 -14.306 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.470 -19.012 -13.220 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.941 -22.951 -12.518 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.230 -18.096 -11.771 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.701 -22.034 -11.072 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.849 -19.607 -10.694 1.00 0.00 H new ATOM 612 N VAL A 38 2.110 -24.114 -12.550 1.00 0.00 N ATOM 613 CA VAL A 38 2.042 -25.434 -11.906 1.00 0.00 C ATOM 614 C VAL A 38 3.451 -25.970 -11.582 1.00 0.00 C ATOM 615 O VAL A 38 4.455 -25.403 -12.010 1.00 0.00 O ATOM 616 CB VAL A 38 1.304 -26.456 -12.793 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.136 -26.021 -13.022 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.025 -26.628 -14.120 1.00 0.00 C ATOM 0 H VAL A 38 2.850 -24.035 -13.247 1.00 0.00 H new ATOM 0 HA VAL A 38 1.486 -25.304 -10.978 1.00 0.00 H new ATOM 0 HB VAL A 38 1.296 -27.417 -12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.642 -26.754 -13.650 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.651 -25.947 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.148 -25.050 -13.516 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.490 -27.353 -14.733 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.063 -25.671 -14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.039 -26.984 -13.939 1.00 0.00 H new ATOM 628 N THR A 39 3.523 -27.072 -10.837 1.00 0.00 N ATOM 629 CA THR A 39 4.821 -27.669 -10.480 1.00 0.00 C ATOM 630 C THR A 39 5.723 -27.916 -11.709 1.00 0.00 C ATOM 631 O THR A 39 5.450 -28.773 -12.550 1.00 0.00 O ATOM 632 CB THR A 39 4.629 -29.001 -9.732 1.00 0.00 C ATOM 633 OG1 THR A 39 3.798 -28.792 -8.582 1.00 0.00 O ATOM 634 CG2 THR A 39 5.972 -29.561 -9.287 1.00 0.00 C ATOM 0 H THR A 39 2.712 -27.569 -10.470 1.00 0.00 H new ATOM 0 HA THR A 39 5.315 -26.944 -9.833 1.00 0.00 H new ATOM 0 HB THR A 39 4.155 -29.714 -10.407 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.881 -28.604 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.817 -30.502 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.602 -29.733 -10.160 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.461 -28.849 -8.622 1.00 0.00 H new ATOM 642 N GLU A 40 6.790 -27.125 -11.816 1.00 0.00 N ATOM 643 CA GLU A 40 7.833 -27.334 -12.834 1.00 0.00 C ATOM 644 C GLU A 40 9.135 -27.854 -12.195 1.00 0.00 C ATOM 645 O GLU A 40 9.458 -27.505 -11.061 1.00 0.00 O ATOM 646 CB GLU A 40 8.104 -26.035 -13.598 1.00 0.00 C ATOM 647 CG GLU A 40 8.974 -26.204 -14.836 1.00 0.00 C ATOM 648 CD GLU A 40 8.462 -27.311 -15.716 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.484 -28.440 -15.290 1.00 0.00 O ATOM 650 OE2 GLU A 40 7.947 -27.015 -16.768 1.00 0.00 O ATOM 0 H GLU A 40 6.960 -26.325 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 40 7.471 -28.087 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.151 -25.597 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.585 -25.325 -12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.996 -25.270 -15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.999 -26.420 -14.536 1.00 0.00 H new ATOM 657 N ARG A 41 9.891 -28.680 -12.925 1.00 0.00 N ATOM 658 CA ARG A 41 11.147 -29.232 -12.399 1.00 0.00 C ATOM 659 C ARG A 41 12.001 -28.131 -11.756 1.00 0.00 C ATOM 660 O ARG A 41 12.382 -28.230 -10.594 1.00 0.00 O ATOM 661 CB ARG A 41 11.927 -29.998 -13.457 1.00 0.00 C ATOM 662 CG ARG A 41 13.225 -30.620 -12.969 1.00 0.00 C ATOM 663 CD ARG A 41 13.952 -31.410 -13.997 1.00 0.00 C ATOM 664 NE ARG A 41 15.202 -31.992 -13.537 1.00 0.00 N ATOM 665 CZ ARG A 41 16.017 -32.749 -14.296 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.702 -33.051 -15.537 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.134 -33.203 -13.752 1.00 0.00 N ATOM 0 H ARG A 41 9.660 -28.980 -13.872 1.00 0.00 H new ATOM 0 HA ARG A 41 10.885 -29.952 -11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.290 -30.787 -13.857 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.152 -29.322 -14.282 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.880 -29.827 -12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.007 -31.266 -12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.301 -32.210 -14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.158 -30.767 -14.853 1.00 0.00 H new ATOM 0 HE ARG A 41 15.481 -31.815 -12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.828 -32.711 -15.939 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.331 -33.626 -16.098 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.358 -32.977 -12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.772 -33.779 -14.302 1.00 0.00 H new ATOM 681 N GLU A 42 12.264 -27.065 -12.508 1.00 0.00 N ATOM 682 CA GLU A 42 13.114 -25.966 -12.030 1.00 0.00 C ATOM 683 C GLU A 42 12.438 -25.203 -10.870 1.00 0.00 C ATOM 684 O GLU A 42 13.103 -24.636 -10.007 1.00 0.00 O ATOM 685 CB GLU A 42 13.439 -25.006 -13.176 1.00 0.00 C ATOM 686 CG GLU A 42 14.382 -25.577 -14.227 1.00 0.00 C ATOM 687 CD GLU A 42 14.593 -24.608 -15.356 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.984 -23.565 -15.341 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.446 -24.858 -16.174 1.00 0.00 O ATOM 0 H GLU A 42 11.902 -26.934 -13.453 1.00 0.00 H new ATOM 0 HA GLU A 42 14.043 -26.398 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.509 -24.711 -13.662 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.882 -24.101 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.341 -25.817 -13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.974 -26.509 -14.617 1.00 0.00 H new ATOM 696 N TYR A 43 11.106 -25.215 -10.869 1.00 0.00 N ATOM 697 CA TYR A 43 10.299 -24.544 -9.839 1.00 0.00 C ATOM 698 C TYR A 43 10.502 -25.173 -8.447 1.00 0.00 C ATOM 699 O TYR A 43 10.386 -24.489 -7.432 1.00 0.00 O ATOM 700 CB TYR A 43 8.817 -24.586 -10.220 1.00 0.00 C ATOM 701 CG TYR A 43 7.951 -23.646 -9.411 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.496 -22.537 -8.781 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.587 -23.869 -9.283 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.709 -21.677 -8.041 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.790 -23.015 -8.547 1.00 0.00 C ATOM 706 CZ TYR A 43 6.355 -21.919 -7.927 1.00 0.00 C ATOM 707 OH TYR A 43 5.565 -21.064 -7.193 1.00 0.00 O ATOM 0 H TYR A 43 10.551 -25.689 -11.581 1.00 0.00 H new ATOM 0 HA TYR A 43 10.633 -23.508 -9.786 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.716 -24.339 -11.277 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.448 -25.604 -10.094 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.555 -22.343 -8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.141 -24.725 -9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.150 -20.820 -7.554 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.730 -23.204 -8.457 1.00 0.00 H new ATOM 0 HH TYR A 43 4.663 -21.042 -7.576 1.00 0.00 H new ATOM 717 N TYR A 44 10.805 -26.477 -8.398 1.00 0.00 N ATOM 718 CA TYR A 44 11.089 -27.146 -7.111 1.00 0.00 C ATOM 719 C TYR A 44 12.483 -27.807 -7.055 1.00 0.00 C ATOM 720 O TYR A 44 12.843 -28.393 -6.037 1.00 0.00 O ATOM 721 CB TYR A 44 10.015 -28.197 -6.825 1.00 0.00 C ATOM 722 CG TYR A 44 10.107 -29.425 -7.704 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.972 -30.463 -7.390 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.327 -29.542 -8.845 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.061 -31.586 -8.191 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.407 -30.660 -9.652 1.00 0.00 C ATOM 727 CZ TYR A 44 10.276 -31.681 -9.321 1.00 0.00 C ATOM 728 OH TYR A 44 10.358 -32.797 -10.122 1.00 0.00 O ATOM 0 H TYR A 44 10.861 -27.085 -9.215 1.00 0.00 H new ATOM 0 HA TYR A 44 11.079 -26.366 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.089 -28.503 -5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.033 -27.743 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.586 -30.393 -6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.646 -28.746 -9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.741 -32.384 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.793 -30.735 -10.537 1.00 0.00 H new ATOM 0 HH TYR A 44 9.738 -32.705 -10.876 1.00 0.00 H new ATOM 738 N GLU A 45 13.261 -27.712 -8.135 1.00 0.00 N ATOM 739 CA GLU A 45 14.596 -28.345 -8.195 1.00 0.00 C ATOM 740 C GLU A 45 15.502 -27.924 -7.019 1.00 0.00 C ATOM 741 O GLU A 45 16.080 -28.770 -6.334 1.00 0.00 O ATOM 742 CB GLU A 45 15.279 -28.007 -9.521 1.00 0.00 C ATOM 743 CG GLU A 45 16.667 -28.612 -9.686 1.00 0.00 C ATOM 744 CD GLU A 45 17.247 -28.289 -11.034 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.580 -27.646 -11.808 1.00 0.00 O ATOM 746 OE2 GLU A 45 18.397 -28.589 -11.251 1.00 0.00 O ATOM 0 H GLU A 45 12.998 -27.207 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 45 14.443 -29.422 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.647 -28.351 -10.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.355 -26.923 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.326 -28.234 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.612 -29.693 -9.561 1.00 0.00 H new ATOM 753 N ASP A 46 15.631 -26.620 -6.795 1.00 0.00 N ATOM 754 CA ASP A 46 16.437 -26.112 -5.675 1.00 0.00 C ATOM 755 C ASP A 46 15.559 -25.529 -4.555 1.00 0.00 C ATOM 756 O ASP A 46 16.045 -25.241 -3.454 1.00 0.00 O ATOM 757 CB ASP A 46 17.425 -25.052 -6.171 1.00 0.00 C ATOM 758 CG ASP A 46 18.453 -25.568 -7.169 1.00 0.00 C ATOM 759 OD1 ASP A 46 19.059 -26.578 -6.899 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.513 -25.044 -8.254 1.00 0.00 O ATOM 0 H ASP A 46 15.194 -25.896 -7.365 1.00 0.00 H new ATOM 0 HA ASP A 46 16.988 -26.956 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.865 -24.239 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.949 -24.631 -5.313 1.00 0.00 H new ATOM 765 N PHE A 47 14.271 -25.370 -4.833 1.00 0.00 N ATOM 766 CA PHE A 47 13.350 -24.708 -3.902 1.00 0.00 C ATOM 767 C PHE A 47 12.882 -25.651 -2.779 1.00 0.00 C ATOM 768 O PHE A 47 12.932 -26.875 -2.908 1.00 0.00 O ATOM 769 CB PHE A 47 12.142 -24.159 -4.663 1.00 0.00 C ATOM 770 CG PHE A 47 12.447 -22.943 -5.490 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.006 -23.067 -6.753 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.178 -21.671 -5.007 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.288 -21.949 -7.515 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.458 -20.551 -5.765 1.00 0.00 C ATOM 775 CZ PHE A 47 13.015 -20.691 -7.022 1.00 0.00 C ATOM 0 H PHE A 47 13.834 -25.690 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 47 13.893 -23.887 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.749 -24.940 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.356 -23.913 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.224 -24.049 -7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.744 -21.555 -4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.723 -22.061 -8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.242 -19.567 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.236 -19.817 -7.617 1.00 0.00 H new ATOM 785 N GLY A 48 12.419 -25.070 -1.675 1.00 0.00 N ATOM 786 CA GLY A 48 11.924 -25.871 -0.558 1.00 0.00 C ATOM 787 C GLY A 48 12.002 -25.154 0.787 1.00 0.00 C ATOM 788 O GLY A 48 11.155 -25.357 1.658 1.00 0.00 O ATOM 0 H GLY A 48 12.376 -24.061 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.888 -26.150 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.498 -26.796 -0.502 1.00 0.00 H new ATOM 792 N TYR A 49 13.014 -24.309 0.959 1.00 0.00 N ATOM 793 CA TYR A 49 13.237 -23.621 2.240 1.00 0.00 C ATOM 794 C TYR A 49 13.349 -22.100 2.059 1.00 0.00 C ATOM 795 O TYR A 49 13.968 -21.623 1.113 1.00 0.00 O ATOM 796 CB TYR A 49 14.498 -24.168 2.926 1.00 0.00 C ATOM 797 CG TYR A 49 14.381 -25.628 3.339 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.712 -26.656 2.458 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.932 -25.976 4.610 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.598 -27.982 2.834 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.817 -27.298 4.990 1.00 0.00 C ATOM 802 CZ TYR A 49 14.149 -28.298 4.100 1.00 0.00 C ATOM 803 OH TYR A 49 14.032 -29.616 4.478 1.00 0.00 O ATOM 0 H TYR A 49 13.694 -24.080 0.234 1.00 0.00 H new ATOM 0 HA TYR A 49 12.371 -23.815 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.346 -24.057 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.712 -23.565 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.063 -26.413 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.669 -25.198 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.859 -28.767 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.468 -27.549 5.981 1.00 0.00 H new ATOM 0 HH TYR A 49 13.088 -29.830 4.631 1.00 0.00 H new ATOM 813 N GLY A 50 12.754 -21.350 2.984 1.00 0.00 N ATOM 814 CA GLY A 50 12.820 -19.891 2.945 1.00 0.00 C ATOM 815 C GLY A 50 11.441 -19.249 3.037 1.00 0.00 C ATOM 816 O GLY A 50 10.441 -19.960 3.119 1.00 0.00 O ATOM 0 H GLY A 50 12.222 -21.727 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.440 -19.535 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.305 -19.576 2.021 1.00 0.00 H new ATOM 820 N GLU A 51 11.386 -17.915 3.012 1.00 0.00 N ATOM 821 CA GLU A 51 10.110 -17.175 3.074 1.00 0.00 C ATOM 822 C GLU A 51 9.025 -17.849 2.225 1.00 0.00 C ATOM 823 O GLU A 51 7.979 -18.244 2.731 1.00 0.00 O ATOM 824 CB GLU A 51 10.306 -15.729 2.614 1.00 0.00 C ATOM 825 CG GLU A 51 10.791 -14.784 3.704 1.00 0.00 C ATOM 826 CD GLU A 51 9.655 -14.320 4.572 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.366 -14.978 5.541 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.148 -13.250 4.330 1.00 0.00 O ATOM 0 H GLU A 51 12.210 -17.318 2.949 1.00 0.00 H new ATOM 0 HA GLU A 51 9.780 -17.180 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.023 -15.716 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.362 -15.355 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.538 -15.287 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.280 -13.922 3.250 1.00 0.00 H new ATOM 835 N CYS A 52 9.285 -17.966 0.930 1.00 0.00 N ATOM 836 CA CYS A 52 8.469 -18.796 0.042 1.00 0.00 C ATOM 837 C CYS A 52 9.376 -19.723 -0.778 1.00 0.00 C ATOM 838 O CYS A 52 9.401 -19.659 -2.006 1.00 0.00 O ATOM 839 CB CYS A 52 7.782 -17.768 -0.856 1.00 0.00 C ATOM 840 SG CYS A 52 6.729 -16.590 0.022 1.00 0.00 S ATOM 0 H CYS A 52 10.060 -17.494 0.464 1.00 0.00 H new ATOM 0 HA CYS A 52 7.761 -19.440 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.545 -17.215 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.178 -18.295 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 52 6.021 -15.918 -0.836 1.00 0.00 H new ATOM 846 N PHE A 53 10.160 -20.553 -0.077 1.00 0.00 N ATOM 847 CA PHE A 53 11.125 -21.470 -0.719 1.00 0.00 C ATOM 848 C PHE A 53 12.299 -20.715 -1.380 1.00 0.00 C ATOM 849 O PHE A 53 13.105 -21.317 -2.094 1.00 0.00 O ATOM 850 CB PHE A 53 10.428 -22.351 -1.777 1.00 0.00 C ATOM 851 CG PHE A 53 9.318 -23.242 -1.260 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.823 -23.109 0.027 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.763 -24.219 -2.084 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.805 -23.926 0.479 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.747 -25.033 -1.633 1.00 0.00 C ATOM 856 CZ PHE A 53 7.267 -24.887 -0.351 1.00 0.00 C ATOM 0 H PHE A 53 10.148 -20.612 0.941 1.00 0.00 H new ATOM 0 HA PHE A 53 11.528 -22.099 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.018 -21.702 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.181 -22.979 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.237 -22.359 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.135 -24.340 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.429 -23.812 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.327 -25.785 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.470 -25.524 0.004 1.00 0.00 H new ATOM 866 N ASN A 54 12.410 -19.414 -1.120 1.00 0.00 N ATOM 867 CA ASN A 54 13.398 -18.568 -1.799 1.00 0.00 C ATOM 868 C ASN A 54 14.633 -18.288 -0.922 1.00 0.00 C ATOM 869 O ASN A 54 14.654 -18.604 0.268 1.00 0.00 O ATOM 870 CB ASN A 54 12.774 -17.260 -2.251 1.00 0.00 C ATOM 871 CG ASN A 54 12.375 -16.357 -1.118 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.190 -16.016 -0.252 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.108 -16.032 -1.075 1.00 0.00 N ATOM 0 H ASN A 54 11.829 -18.919 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 54 13.735 -19.124 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.481 -16.733 -2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.895 -17.478 -2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.751 -15.472 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.477 -16.339 -1.815 1.00 0.00 H new ATOM 880 N SER A 55 15.657 -17.676 -1.525 1.00 0.00 N ATOM 881 CA SER A 55 16.888 -17.298 -0.805 1.00 0.00 C ATOM 882 C SER A 55 17.053 -15.771 -0.759 1.00 0.00 C ATOM 883 O SER A 55 18.156 -15.243 -0.909 1.00 0.00 O ATOM 884 CB SER A 55 18.095 -17.942 -1.456 1.00 0.00 C ATOM 885 OG SER A 55 18.198 -17.615 -2.815 1.00 0.00 O ATOM 0 H SER A 55 15.662 -17.429 -2.515 1.00 0.00 H new ATOM 0 HA SER A 55 16.808 -17.659 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.999 -17.623 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.030 -19.025 -1.348 1.00 0.00 H new ATOM 0 HG SER A 55 17.349 -17.809 -3.263 1.00 0.00 H new ATOM 891 N THR A 56 15.935 -15.075 -0.574 1.00 0.00 N ATOM 892 CA THR A 56 15.911 -13.610 -0.448 1.00 0.00 C ATOM 893 C THR A 56 15.557 -13.148 0.978 1.00 0.00 C ATOM 894 O THR A 56 15.061 -13.927 1.793 1.00 0.00 O ATOM 895 CB THR A 56 14.909 -12.984 -1.435 1.00 0.00 C ATOM 896 OG1 THR A 56 13.575 -13.361 -1.069 1.00 0.00 O ATOM 897 CG2 THR A 56 15.193 -13.455 -2.853 1.00 0.00 C ATOM 0 H THR A 56 15.014 -15.507 -0.506 1.00 0.00 H new ATOM 0 HA THR A 56 16.921 -13.272 -0.681 1.00 0.00 H new ATOM 0 HB THR A 56 15.012 -11.900 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.588 -14.249 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.475 -13.003 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.203 -13.160 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.105 -14.540 -2.900 1.00 0.00 H new ATOM 905 N GLU A 57 15.812 -11.866 1.265 1.00 0.00 N ATOM 906 CA GLU A 57 15.545 -11.276 2.588 1.00 0.00 C ATOM 907 C GLU A 57 14.039 -11.133 2.906 1.00 0.00 C ATOM 908 O GLU A 57 13.276 -10.540 2.137 1.00 0.00 O ATOM 909 CB GLU A 57 16.222 -9.907 2.690 1.00 0.00 C ATOM 910 CG GLU A 57 16.102 -9.247 4.056 1.00 0.00 C ATOM 911 CD GLU A 57 16.815 -7.923 4.088 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.402 -7.562 3.096 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.682 -7.222 5.063 1.00 0.00 O ATOM 0 H GLU A 57 16.207 -11.209 0.592 1.00 0.00 H new ATOM 0 HA GLU A 57 15.958 -11.966 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.278 -10.018 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.789 -9.244 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.050 -9.102 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.519 -9.905 4.818 1.00 0.00 H new ATOM 920 N SER A 58 13.623 -11.701 4.037 1.00 0.00 N ATOM 921 CA SER A 58 12.248 -11.553 4.531 1.00 0.00 C ATOM 922 C SER A 58 11.860 -10.068 4.666 1.00 0.00 C ATOM 923 O SER A 58 12.589 -9.283 5.278 1.00 0.00 O ATOM 924 CB SER A 58 12.094 -12.263 5.862 1.00 0.00 C ATOM 925 OG SER A 58 10.817 -12.083 6.410 1.00 0.00 O ATOM 0 H SER A 58 14.221 -12.272 4.634 1.00 0.00 H new ATOM 0 HA SER A 58 11.575 -12.009 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.284 -13.328 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.844 -11.890 6.560 1.00 0.00 H new ATOM 0 HG SER A 58 10.704 -12.681 7.178 1.00 0.00 H new ATOM 931 N GLU A 59 10.704 -9.686 4.112 1.00 0.00 N ATOM 932 CA GLU A 59 10.198 -8.312 4.277 1.00 0.00 C ATOM 933 C GLU A 59 8.861 -8.240 5.046 1.00 0.00 C ATOM 934 O GLU A 59 8.649 -7.326 5.850 1.00 0.00 O ATOM 935 CB GLU A 59 10.037 -7.649 2.907 1.00 0.00 C ATOM 936 CG GLU A 59 11.343 -7.445 2.152 1.00 0.00 C ATOM 937 CD GLU A 59 11.098 -6.884 0.778 1.00 0.00 C ATOM 938 OE1 GLU A 59 9.956 -6.716 0.421 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.049 -6.519 0.129 1.00 0.00 O ATOM 0 H GLU A 59 10.107 -10.295 3.553 1.00 0.00 H new ATOM 0 HA GLU A 59 10.937 -7.779 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.370 -8.259 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.553 -6.682 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.988 -6.769 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.871 -8.395 2.070 1.00 0.00 H new ATOM 946 N VAL A 60 7.971 -9.208 4.823 1.00 0.00 N ATOM 947 CA VAL A 60 6.662 -9.226 5.500 1.00 0.00 C ATOM 948 C VAL A 60 6.327 -10.616 6.101 1.00 0.00 C ATOM 949 O VAL A 60 5.159 -10.965 6.300 1.00 0.00 O ATOM 950 CB VAL A 60 5.534 -8.814 4.537 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.668 -7.346 4.158 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.550 -9.687 3.292 1.00 0.00 C ATOM 0 H VAL A 60 8.126 -9.988 4.184 1.00 0.00 H new ATOM 0 HA VAL A 60 6.733 -8.506 6.315 1.00 0.00 H new ATOM 0 HB VAL A 60 4.580 -8.955 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.863 -7.071 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.609 -6.731 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.628 -7.183 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.746 -9.381 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.507 -9.577 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.408 -10.730 3.577 1.00 0.00 H new ATOM 962 N GLN A 61 7.378 -11.390 6.399 1.00 0.00 N ATOM 963 CA GLN A 61 7.280 -12.680 7.121 1.00 0.00 C ATOM 964 C GLN A 61 6.339 -13.700 6.446 1.00 0.00 C ATOM 965 O GLN A 61 5.433 -14.241 7.087 1.00 0.00 O ATOM 966 CB GLN A 61 6.805 -12.436 8.556 1.00 0.00 C ATOM 967 CG GLN A 61 7.782 -11.645 9.409 1.00 0.00 C ATOM 968 CD GLN A 61 9.020 -12.444 9.764 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.928 -13.588 10.220 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.188 -11.846 9.562 1.00 0.00 N ATOM 0 H GLN A 61 8.334 -11.142 6.146 1.00 0.00 H new ATOM 0 HA GLN A 61 8.280 -13.112 7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.853 -11.905 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.619 -13.398 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.077 -10.742 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.284 -11.326 10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.218 -10.899 9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.056 -12.333 9.786 1.00 0.00 H new ATOM 979 N CYS A 62 6.578 -13.998 5.169 1.00 0.00 N ATOM 980 CA CYS A 62 5.779 -15.008 4.456 1.00 0.00 C ATOM 981 C CYS A 62 5.941 -16.396 5.089 1.00 0.00 C ATOM 982 O CYS A 62 5.060 -17.247 4.965 1.00 0.00 O ATOM 983 CB CYS A 62 6.378 -14.985 3.051 1.00 0.00 C ATOM 984 SG CYS A 62 6.130 -13.434 2.155 1.00 0.00 S ATOM 0 H CYS A 62 7.310 -13.562 4.607 1.00 0.00 H new ATOM 0 HA CYS A 62 4.710 -14.799 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.448 -15.181 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.943 -15.799 2.471 1.00 0.00 H new ATOM 0 HG CYS A 62 7.264 -12.807 2.051 1.00 0.00 H new ATOM 990 N GLU A 63 7.061 -16.614 5.790 1.00 0.00 N ATOM 991 CA GLU A 63 7.311 -17.904 6.457 1.00 0.00 C ATOM 992 C GLU A 63 6.248 -18.201 7.537 1.00 0.00 C ATOM 993 O GLU A 63 6.166 -19.311 8.067 1.00 0.00 O ATOM 994 CB GLU A 63 8.710 -17.918 7.078 1.00 0.00 C ATOM 995 CG GLU A 63 8.887 -16.964 8.251 1.00 0.00 C ATOM 996 CD GLU A 63 10.281 -17.035 8.807 1.00 0.00 C ATOM 997 OE1 GLU A 63 11.078 -17.766 8.270 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.584 -16.276 9.698 1.00 0.00 O ATOM 0 H GLU A 63 7.803 -15.924 5.911 1.00 0.00 H new ATOM 0 HA GLU A 63 7.246 -18.686 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.936 -18.931 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.439 -17.666 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.673 -15.945 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.168 -17.209 9.033 1.00 0.00 H new ATOM 1005 N LEU A 64 5.449 -17.193 7.865 1.00 0.00 N ATOM 1006 CA LEU A 64 4.317 -17.341 8.780 1.00 0.00 C ATOM 1007 C LEU A 64 3.040 -16.846 8.086 1.00 0.00 C ATOM 1008 O LEU A 64 2.207 -17.643 7.657 1.00 0.00 O ATOM 1009 CB LEU A 64 4.568 -16.569 10.083 1.00 0.00 C ATOM 1010 CG LEU A 64 3.431 -16.635 11.110 1.00 0.00 C ATOM 1011 CD1 LEU A 64 3.228 -18.072 11.572 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.759 -15.731 12.289 1.00 0.00 C ATOM 0 H LEU A 64 5.566 -16.246 7.504 1.00 0.00 H new ATOM 0 HA LEU A 64 4.197 -18.393 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.477 -16.954 10.546 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.754 -15.523 9.837 1.00 0.00 H new ATOM 0 HG LEU A 64 2.505 -16.290 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.419 -18.109 12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.974 -18.697 10.716 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.146 -18.440 12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.951 -15.778 13.019 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.688 -16.062 12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.874 -14.705 11.940 1.00 0.00 H new ATOM 1024 N ILE A 65 2.914 -15.518 7.979 1.00 0.00 N ATOM 1025 CA ILE A 65 1.790 -14.866 7.288 1.00 0.00 C ATOM 1026 C ILE A 65 2.105 -13.382 7.015 1.00 0.00 C ATOM 1027 O ILE A 65 2.845 -12.737 7.762 1.00 0.00 O ATOM 1028 CB ILE A 65 0.488 -14.970 8.104 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.708 -14.533 7.256 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.585 -14.130 9.369 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.046 -14.946 7.828 1.00 0.00 C ATOM 0 H ILE A 65 3.590 -14.861 8.370 1.00 0.00 H new ATOM 0 HA ILE A 65 1.649 -15.387 6.341 1.00 0.00 H new ATOM 0 HB ILE A 65 0.342 -16.010 8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.688 -13.448 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.605 -14.954 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.343 -14.215 9.934 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.415 -14.486 9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.753 -13.087 9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.845 -14.601 7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.087 -16.032 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.172 -14.503 8.816 1.00 0.00 H new ATOM 1043 N THR A 66 1.542 -12.839 5.934 1.00 0.00 N ATOM 1044 CA THR A 66 1.892 -11.485 5.464 1.00 0.00 C ATOM 1045 C THR A 66 0.744 -10.481 5.708 1.00 0.00 C ATOM 1046 O THR A 66 0.956 -9.270 5.760 1.00 0.00 O ATOM 1047 CB THR A 66 2.247 -11.486 3.966 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.084 -11.826 3.197 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.351 -12.492 3.679 1.00 0.00 C ATOM 0 H THR A 66 0.841 -13.311 5.363 1.00 0.00 H new ATOM 0 HA THR A 66 2.763 -11.173 6.041 1.00 0.00 H new ATOM 0 HB THR A 66 2.596 -10.491 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.048 -12.797 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.588 -12.478 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.240 -12.230 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.017 -13.490 3.963 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.473 -10.996 5.869 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.671 -10.173 5.744 1.00 0.00 C ATOM 1059 C GLY A 67 -2.287 -10.172 4.343 1.00 0.00 C ATOM 1060 O GLY A 67 -3.454 -9.810 4.172 1.00 0.00 O ATOM 0 H GLY A 67 -0.654 -11.976 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.417 -10.526 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.425 -9.148 6.021 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.505 -10.589 3.347 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.017 -10.817 1.989 1.00 0.00 C ATOM 1066 C GLU A 68 -2.331 -12.295 1.692 1.00 0.00 C ATOM 1067 O GLU A 68 -2.929 -12.609 0.663 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.012 -10.289 0.963 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.656 -8.819 1.129 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.883 -7.952 1.090 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.610 -8.028 0.129 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.156 -7.298 2.068 1.00 0.00 O ATOM 0 H GLU A 68 -0.508 -10.778 3.453 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.961 -10.276 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.099 -10.881 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.419 -10.441 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.135 -8.673 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.030 -8.517 0.338 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.918 -13.195 2.582 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.252 -14.624 2.454 1.00 0.00 C ATOM 1081 C PHE A 69 -3.572 -14.990 3.164 1.00 0.00 C ATOM 1082 O PHE A 69 -3.858 -16.169 3.391 1.00 0.00 O ATOM 1083 CB PHE A 69 -1.112 -15.481 3.008 1.00 0.00 C ATOM 1084 CG PHE A 69 0.181 -15.325 2.259 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.200 -14.770 0.989 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.380 -15.734 2.824 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.391 -14.626 0.300 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.570 -15.590 2.138 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.575 -15.036 0.873 1.00 0.00 C ATOM 0 H PHE A 69 -1.353 -12.967 3.400 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.388 -14.826 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.949 -15.221 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.412 -16.529 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.724 -14.447 0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.383 -16.170 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.393 -14.191 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.497 -15.911 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.504 -14.924 0.334 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.362 -13.976 3.516 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.601 -14.168 4.283 1.00 0.00 C ATOM 1101 C ASP A 70 -6.656 -14.949 3.456 1.00 0.00 C ATOM 1102 O ASP A 70 -7.132 -14.463 2.428 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.166 -12.817 4.725 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.430 -12.909 5.570 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.963 -13.986 5.689 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.762 -11.943 6.214 1.00 0.00 O ATOM 0 H ASP A 70 -4.167 -13.003 3.281 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.362 -14.758 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.402 -12.286 5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.379 -12.219 3.839 1.00 0.00 H new ATOM 1111 N PRO A 71 -7.041 -16.168 3.903 1.00 0.00 N ATOM 1112 CA PRO A 71 -8.098 -16.981 3.246 1.00 0.00 C ATOM 1113 C PRO A 71 -9.451 -16.263 3.020 1.00 0.00 C ATOM 1114 O PRO A 71 -10.207 -16.641 2.120 1.00 0.00 O ATOM 1115 CB PRO A 71 -8.257 -18.172 4.196 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.936 -18.283 4.879 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.472 -16.864 5.080 1.00 0.00 C ATOM 0 HA PRO A 71 -7.802 -17.240 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.061 -18.004 4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.500 -19.084 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.028 -18.805 5.831 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.226 -18.847 4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.842 -16.445 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.385 -16.793 5.106 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.768 -15.243 3.820 1.00 0.00 N ATOM 1126 CA LYS A 72 -11.039 -14.515 3.666 1.00 0.00 C ATOM 1127 C LYS A 72 -11.027 -13.640 2.394 1.00 0.00 C ATOM 1128 O LYS A 72 -12.072 -13.384 1.797 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.313 -13.651 4.898 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.637 -14.440 6.160 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.895 -13.516 7.340 1.00 0.00 C ATOM 1132 CE LYS A 72 -12.221 -14.304 8.600 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.455 -13.413 9.769 1.00 0.00 N ATOM 0 H LYS A 72 -9.173 -14.902 4.575 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.837 -15.251 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.441 -13.025 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.145 -12.981 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.514 -15.064 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.810 -15.110 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.018 -12.893 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.721 -12.845 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.107 -14.915 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.401 -14.987 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.674 -13.989 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.601 -12.848 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.254 -12.778 9.567 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.842 -13.177 1.995 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.711 -12.273 0.841 1.00 0.00 C ATOM 1149 C LEU A 73 -9.155 -12.997 -0.396 1.00 0.00 C ATOM 1150 O LEU A 73 -9.350 -12.547 -1.525 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.815 -11.083 1.206 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.320 -10.217 2.367 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.305 -9.127 2.686 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.666 -9.611 2.002 1.00 0.00 C ATOM 0 H LEU A 73 -8.959 -13.409 2.449 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.708 -11.913 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.824 -11.459 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.701 -10.451 0.325 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.444 -10.837 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.673 -8.518 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.356 -9.584 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.159 -8.498 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.024 -8.996 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.557 -8.994 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.383 -10.408 1.806 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.460 -14.113 -0.185 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.925 -14.912 -1.296 1.00 0.00 C ATOM 1168 C LEU A 74 -8.879 -16.078 -1.628 1.00 0.00 C ATOM 1169 O LEU A 74 -9.016 -17.017 -0.841 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.528 -15.440 -0.948 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.960 -16.479 -1.923 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.781 -15.858 -3.303 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.635 -17.005 -1.392 1.00 0.00 C ATOM 0 H LEU A 74 -8.252 -14.487 0.741 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.843 -14.274 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.840 -14.596 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.562 -15.881 0.048 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.657 -17.312 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.377 -16.604 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.745 -15.510 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.092 -15.016 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.232 -17.743 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.930 -16.180 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.792 -17.470 -0.418 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.553 -16.029 -2.798 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.308 -17.179 -3.335 1.00 0.00 C ATOM 1187 C PRO A 75 -9.408 -18.352 -3.759 1.00 0.00 C ATOM 1188 O PRO A 75 -8.278 -18.160 -4.209 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.064 -16.588 -4.531 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.181 -15.493 -5.024 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.553 -14.900 -3.791 1.00 0.00 C ATOM 0 HA PRO A 75 -10.964 -17.616 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.235 -17.338 -5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.041 -16.207 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.422 -15.877 -5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.753 -14.744 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.542 -14.545 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.124 -14.047 -3.424 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.912 -19.578 -3.618 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.083 -20.765 -3.842 1.00 0.00 C ATOM 1201 C TYR A 76 -9.607 -21.646 -4.989 1.00 0.00 C ATOM 1202 O TYR A 76 -10.598 -22.363 -4.851 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.993 -21.589 -2.556 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.245 -20.899 -1.437 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.859 -20.836 -1.442 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.925 -20.315 -0.379 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -6.170 -20.208 -0.422 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -8.247 -19.683 0.645 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.868 -19.632 0.620 1.00 0.00 C ATOM 1210 OH TYR A 76 -6.186 -19.005 1.638 1.00 0.00 O ATOM 0 H TYR A 76 -10.877 -19.776 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.093 -20.413 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.001 -21.824 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.503 -22.537 -2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.310 -21.285 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.004 -20.355 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.091 -20.168 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.793 -19.231 1.460 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.259 -18.847 1.362 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.939 -21.560 -6.136 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.179 -22.482 -7.251 1.00 0.00 C ATOM 1222 C ASP A 77 -8.329 -23.748 -7.050 1.00 0.00 C ATOM 1223 O ASP A 77 -7.455 -23.767 -6.190 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.854 -21.819 -8.592 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.552 -22.449 -9.790 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.203 -23.451 -9.615 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.559 -21.842 -10.834 1.00 0.00 O ATOM 0 H ASP A 77 -8.222 -20.858 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.235 -22.753 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.129 -20.766 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.777 -21.859 -8.752 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.566 -24.791 -7.843 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.892 -26.084 -7.640 1.00 0.00 C ATOM 1234 C LYS A 78 -6.355 -25.944 -7.737 1.00 0.00 C ATOM 1235 O LYS A 78 -5.630 -26.137 -6.751 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.392 -27.109 -8.660 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.773 -28.493 -8.516 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.356 -29.468 -9.527 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.722 -30.846 -9.399 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.287 -31.812 -10.380 1.00 0.00 N ATOM 0 H LYS A 78 -9.215 -24.773 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.134 -26.430 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.475 -27.197 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.187 -26.735 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.694 -28.427 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.944 -28.867 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.433 -29.546 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.199 -29.086 -10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.645 -30.765 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.876 -31.224 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.828 -32.738 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.310 -31.909 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.118 -31.465 -11.346 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.869 -25.560 -8.918 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.426 -25.530 -9.187 1.00 0.00 C ATOM 1256 C ARG A 79 -3.761 -24.299 -8.557 1.00 0.00 C ATOM 1257 O ARG A 79 -2.628 -24.376 -8.072 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.121 -25.626 -10.675 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.403 -26.982 -11.300 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.183 -27.038 -12.768 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.417 -28.344 -13.363 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.405 -28.594 -14.687 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.207 -27.629 -15.558 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.620 -29.835 -15.090 1.00 0.00 N ATOM 0 H ARG A 79 -6.449 -25.266 -9.703 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.997 -26.414 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.706 -24.871 -11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.071 -25.381 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.769 -27.728 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.436 -27.258 -11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.838 -26.311 -13.249 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.158 -26.734 -12.981 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.603 -29.125 -12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.059 -26.673 -15.235 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.201 -27.837 -16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.789 -30.572 -14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.617 -30.056 -16.086 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.465 -23.169 -8.581 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.003 -21.943 -7.915 1.00 0.00 C ATOM 1280 C LEU A 80 -3.769 -22.177 -6.413 1.00 0.00 C ATOM 1281 O LEU A 80 -2.661 -21.974 -5.905 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.017 -20.812 -8.129 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.510 -19.406 -7.784 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -5.399 -18.355 -8.434 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.485 -19.231 -6.272 1.00 0.00 C ATOM 0 H LEU A 80 -5.363 -23.073 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.050 -21.655 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.332 -20.821 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.901 -21.020 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.498 -19.281 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.030 -17.361 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.384 -18.485 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.420 -18.466 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.125 -18.232 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.491 -19.361 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.821 -19.974 -5.831 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.811 -22.636 -5.719 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.734 -22.886 -4.276 1.00 0.00 C ATOM 1299 C ALA A 81 -3.586 -23.832 -3.915 1.00 0.00 C ATOM 1300 O ALA A 81 -2.820 -23.545 -2.999 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.052 -23.440 -3.750 1.00 0.00 C ATOM 0 H ALA A 81 -5.720 -22.843 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.536 -21.926 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.970 -23.617 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.850 -22.722 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.280 -24.378 -4.256 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.454 -24.947 -4.647 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.388 -25.916 -4.355 1.00 0.00 C ATOM 1309 C TRP A 82 -0.999 -25.267 -4.422 1.00 0.00 C ATOM 1310 O TRP A 82 -0.280 -25.236 -3.432 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.460 -27.093 -5.329 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.276 -28.008 -5.252 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.353 -28.063 -4.250 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.887 -28.998 -6.211 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.588 -29.025 -4.526 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.280 -29.614 -5.727 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.415 -29.422 -7.436 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.928 -30.626 -6.417 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.767 -30.439 -8.129 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.371 -31.023 -7.633 1.00 0.00 C ATOM 0 H TRP A 82 -4.058 -25.198 -5.430 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.542 -26.278 -3.338 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.365 -27.666 -5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.546 -26.708 -6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.361 -27.441 -3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.385 -29.263 -3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.309 -28.968 -7.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.825 -31.087 -6.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.167 -30.775 -9.074 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.848 -31.810 -8.198 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.643 -24.725 -5.583 1.00 0.00 N ATOM 1332 CA HIS A 83 0.731 -24.263 -5.823 1.00 0.00 C ATOM 1333 C HIS A 83 1.024 -22.939 -5.108 1.00 0.00 C ATOM 1334 O HIS A 83 2.090 -22.770 -4.525 1.00 0.00 O ATOM 1335 CB HIS A 83 0.989 -24.106 -7.325 1.00 0.00 C ATOM 1336 CG HIS A 83 0.986 -25.404 -8.074 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.134 -25.889 -8.717 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.964 -26.316 -8.281 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.157 -27.045 -9.288 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.423 -27.325 -9.039 1.00 0.00 N ATOM 0 H HIS A 83 -1.278 -24.593 -6.371 1.00 0.00 H new ATOM 0 HA HIS A 83 1.400 -25.021 -5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.229 -23.450 -7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.951 -23.615 -7.470 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.043 -25.428 -8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.980 -26.261 -7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.525 -27.656 -9.861 1.00 0.00 H new ATOM 1345 N PHE A 84 0.074 -22.011 -5.131 1.00 0.00 N ATOM 1346 CA PHE A 84 0.275 -20.700 -4.501 1.00 0.00 C ATOM 1347 C PHE A 84 0.391 -20.802 -2.962 1.00 0.00 C ATOM 1348 O PHE A 84 1.303 -20.233 -2.361 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.853 -19.743 -4.909 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.737 -19.236 -6.334 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.614 -20.120 -7.402 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.757 -17.872 -6.604 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.515 -19.654 -8.699 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.657 -17.405 -7.901 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.536 -18.296 -8.949 1.00 0.00 C ATOM 0 H PHE A 84 -0.837 -22.135 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 84 1.224 -20.301 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.810 -20.252 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.859 -18.891 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.596 -21.183 -7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.852 -17.169 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.421 -20.352 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.674 -16.343 -8.095 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.458 -17.931 -9.963 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.523 -21.538 -2.324 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.505 -21.686 -0.859 1.00 0.00 C ATOM 1367 C LYS A 85 0.716 -22.501 -0.383 1.00 0.00 C ATOM 1368 O LYS A 85 1.435 -22.084 0.525 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.796 -22.348 -0.375 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.907 -22.482 1.138 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.229 -23.119 1.540 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.320 -23.300 3.049 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.552 -24.032 3.448 1.00 0.00 N ATOM 0 H LYS A 85 -1.280 -22.038 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.429 -20.687 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.645 -21.769 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.871 -23.340 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.081 -23.086 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.819 -21.499 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.055 -22.496 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.333 -24.086 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.444 -23.844 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.305 -22.323 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.575 -24.134 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.389 -23.501 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.554 -24.974 3.007 1.00 0.00 H new ATOM 1387 N GLU A 86 0.943 -23.651 -1.009 1.00 0.00 N ATOM 1388 CA GLU A 86 2.009 -24.582 -0.600 1.00 0.00 C ATOM 1389 C GLU A 86 3.408 -23.974 -0.793 1.00 0.00 C ATOM 1390 O GLU A 86 4.325 -24.242 -0.017 1.00 0.00 O ATOM 1391 CB GLU A 86 1.898 -25.892 -1.384 1.00 0.00 C ATOM 1392 CG GLU A 86 0.691 -26.743 -1.018 1.00 0.00 C ATOM 1393 CD GLU A 86 0.731 -27.155 0.427 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.713 -27.725 0.836 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.171 -26.801 1.150 1.00 0.00 O ATOM 0 H GLU A 86 0.400 -23.970 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 86 1.877 -24.781 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.856 -25.662 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.803 -26.477 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.224 -26.184 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.664 -27.630 -1.651 1.00 0.00 H new ATOM 1402 N PHE A 87 3.562 -23.148 -1.822 1.00 0.00 N ATOM 1403 CA PHE A 87 4.837 -22.478 -2.103 1.00 0.00 C ATOM 1404 C PHE A 87 5.093 -21.309 -1.136 1.00 0.00 C ATOM 1405 O PHE A 87 6.183 -21.179 -0.583 1.00 0.00 O ATOM 1406 CB PHE A 87 4.865 -21.980 -3.549 1.00 0.00 C ATOM 1407 CG PHE A 87 6.205 -21.458 -3.984 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.244 -22.329 -4.273 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.428 -20.095 -4.104 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.476 -21.850 -4.674 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.659 -19.613 -4.506 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.684 -20.492 -4.791 1.00 0.00 C ATOM 0 H PHE A 87 2.818 -22.922 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 87 5.632 -23.209 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.571 -22.795 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.122 -21.191 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.088 -23.394 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.630 -19.402 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.277 -22.540 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.819 -18.549 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.647 -20.117 -5.105 1.00 0.00 H new ATOM 1422 N CYS A 88 4.079 -20.461 -0.935 1.00 0.00 N ATOM 1423 CA CYS A 88 4.244 -19.227 -0.146 1.00 0.00 C ATOM 1424 C CYS A 88 3.781 -19.375 1.315 1.00 0.00 C ATOM 1425 O CYS A 88 4.542 -19.117 2.244 1.00 0.00 O ATOM 1426 CB CYS A 88 3.341 -18.244 -0.891 1.00 0.00 C ATOM 1427 SG CYS A 88 3.841 -17.908 -2.596 1.00 0.00 S ATOM 0 H CYS A 88 3.138 -20.602 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 88 5.288 -18.925 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.324 -18.636 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.318 -17.303 -0.341 1.00 0.00 H new ATOM 0 HG CYS A 88 3.748 -16.633 -2.832 1.00 0.00 H new ATOM 1433 N TYR A 89 2.531 -19.801 1.515 1.00 0.00 N ATOM 1434 CA TYR A 89 1.916 -19.805 2.858 1.00 0.00 C ATOM 1435 C TYR A 89 2.442 -20.958 3.738 1.00 0.00 C ATOM 1436 O TYR A 89 2.650 -20.799 4.942 1.00 0.00 O ATOM 1437 CB TYR A 89 0.393 -19.895 2.740 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.330 -19.817 4.067 1.00 0.00 C ATOM 1439 CD1 TYR A 89 -0.452 -18.612 4.742 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -0.890 -20.950 4.638 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -1.111 -18.535 5.954 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.551 -20.885 5.849 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.659 -19.676 6.505 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.319 -19.606 7.711 1.00 0.00 O ATOM 0 H TYR A 89 1.923 -20.147 0.773 1.00 0.00 H new ATOM 0 HA TYR A 89 2.193 -18.869 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.040 -19.089 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.131 -20.832 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.024 -17.718 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.808 -21.898 4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.197 -17.588 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.981 -21.777 6.281 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.645 -20.497 7.957 1.00 0.00 H new ATOM 1454 N LYS A 90 2.675 -22.117 3.131 1.00 0.00 N ATOM 1455 CA LYS A 90 3.204 -23.272 3.866 1.00 0.00 C ATOM 1456 C LYS A 90 4.311 -22.863 4.850 1.00 0.00 C ATOM 1457 O LYS A 90 5.401 -22.466 4.456 1.00 0.00 O ATOM 1458 CB LYS A 90 3.733 -24.323 2.889 1.00 0.00 C ATOM 1459 CG LYS A 90 4.274 -25.583 3.552 1.00 0.00 C ATOM 1460 CD LYS A 90 4.522 -26.683 2.531 1.00 0.00 C ATOM 1461 CE LYS A 90 5.290 -27.844 3.144 1.00 0.00 C ATOM 1462 NZ LYS A 90 5.270 -29.048 2.270 1.00 0.00 N ATOM 0 H LYS A 90 2.509 -22.286 2.139 1.00 0.00 H new ATOM 0 HA LYS A 90 2.384 -23.697 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.931 -24.602 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.524 -23.876 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.203 -25.352 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.566 -25.934 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.569 -27.041 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.082 -26.279 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.322 -27.542 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.859 -28.093 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.975 -29.734 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.325 -29.481 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.496 -28.772 1.293 1.00 0.00 H new ATOM 1476 N THR A 91 4.023 -22.964 6.145 1.00 0.00 N ATOM 1477 CA THR A 91 4.954 -22.488 7.180 1.00 0.00 C ATOM 1478 C THR A 91 5.936 -23.581 7.637 1.00 0.00 C ATOM 1479 O THR A 91 6.980 -23.292 8.227 1.00 0.00 O ATOM 1480 CB THR A 91 4.192 -21.959 8.410 1.00 0.00 C ATOM 1481 OG1 THR A 91 3.467 -23.032 9.023 1.00 0.00 O ATOM 1482 CG2 THR A 91 3.221 -20.860 8.004 1.00 0.00 C ATOM 0 H THR A 91 3.159 -23.368 6.507 1.00 0.00 H new ATOM 0 HA THR A 91 5.526 -21.681 6.722 1.00 0.00 H new ATOM 0 HB THR A 91 4.913 -21.548 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.984 -22.695 9.806 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.692 -20.498 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.772 -20.037 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.502 -21.256 7.286 1.00 0.00 H new ATOM 1490 N SER A 92 5.602 -24.836 7.354 1.00 0.00 N ATOM 1491 CA SER A 92 6.426 -25.979 7.771 1.00 0.00 C ATOM 1492 C SER A 92 7.644 -26.160 6.856 1.00 0.00 C ATOM 1493 O SER A 92 7.636 -25.743 5.695 1.00 0.00 O ATOM 1494 CB SER A 92 5.589 -27.243 7.790 1.00 0.00 C ATOM 1495 OG SER A 92 5.171 -27.617 6.506 1.00 0.00 O ATOM 0 H SER A 92 4.763 -25.094 6.835 1.00 0.00 H new ATOM 0 HA SER A 92 6.796 -25.778 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.167 -28.054 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.716 -27.090 8.425 1.00 0.00 H new ATOM 0 HG SER A 92 4.636 -28.436 6.562 1.00 0.00 H new ATOM 1501 N ALA A 93 8.698 -26.769 7.398 1.00 0.00 N ATOM 1502 CA ALA A 93 9.940 -27.009 6.655 1.00 0.00 C ATOM 1503 C ALA A 93 10.629 -28.288 7.155 1.00 0.00 C ATOM 1504 O ALA A 93 11.633 -28.233 7.869 1.00 0.00 O ATOM 1505 CB ALA A 93 10.873 -25.808 6.772 1.00 0.00 C ATOM 0 H ALA A 93 8.718 -27.109 8.359 1.00 0.00 H new ATOM 0 HA ALA A 93 9.693 -27.146 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.789 -26.003 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.382 -24.925 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.116 -25.637 7.821 1.00 0.00 H new ATOM 1511 N HIS A 94 10.074 -29.436 6.780 1.00 0.00 N ATOM 1512 CA HIS A 94 10.548 -30.744 7.257 1.00 0.00 C ATOM 1513 C HIS A 94 11.123 -31.584 6.094 1.00 0.00 C ATOM 1514 O HIS A 94 11.601 -31.028 5.108 1.00 0.00 O ATOM 1515 CB HIS A 94 9.414 -31.507 7.949 1.00 0.00 C ATOM 1516 CG HIS A 94 8.808 -30.770 9.102 1.00 0.00 C ATOM 1517 ND1 HIS A 94 9.499 -30.515 10.269 1.00 0.00 N ATOM 1518 CD2 HIS A 94 7.577 -30.231 9.269 1.00 0.00 C ATOM 1519 CE1 HIS A 94 8.718 -29.852 11.103 1.00 0.00 C ATOM 1520 NE2 HIS A 94 7.548 -29.667 10.520 1.00 0.00 N ATOM 0 H HIS A 94 9.284 -29.493 6.138 1.00 0.00 H new ATOM 0 HA HIS A 94 11.345 -30.568 7.979 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.635 -31.724 7.218 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.795 -32.465 8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.769 -30.243 8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.990 -29.518 12.093 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.751 -29.183 10.933 1.00 0.00 H new ATOM 1525 N GLY A 95 11.114 -32.918 6.236 1.00 0.00 N ATOM 1526 CA GLY A 95 11.516 -33.813 5.146 1.00 0.00 C ATOM 1527 C GLY A 95 10.686 -33.650 3.870 1.00 0.00 C ATOM 1528 O GLY A 95 11.161 -33.965 2.781 1.00 0.00 O ATOM 0 H GLY A 95 10.834 -33.397 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.565 -33.634 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.438 -34.845 5.489 1.00 0.00 H new ATOM 1532 N ILE A 96 9.448 -33.165 4.008 1.00 0.00 N ATOM 1533 CA ILE A 96 8.634 -32.743 2.852 1.00 0.00 C ATOM 1534 C ILE A 96 8.307 -31.230 2.903 1.00 0.00 C ATOM 1535 O ILE A 96 7.240 -30.826 3.370 1.00 0.00 O ATOM 1536 CB ILE A 96 7.320 -33.541 2.773 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.608 -35.044 2.752 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.524 -33.131 1.543 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.367 -35.905 2.808 1.00 0.00 C ATOM 0 H ILE A 96 8.982 -33.053 4.909 1.00 0.00 H new ATOM 0 HA ILE A 96 9.231 -32.944 1.962 1.00 0.00 H new ATOM 0 HB ILE A 96 6.724 -33.318 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.165 -35.285 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.250 -35.293 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.598 -33.704 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.291 -32.068 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.113 -33.327 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.653 -36.957 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.819 -35.694 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.733 -35.686 1.949 1.00 0.00 H new ATOM 1551 N PRO A 97 9.242 -30.361 2.462 1.00 0.00 N ATOM 1552 CA PRO A 97 9.094 -28.908 2.583 1.00 0.00 C ATOM 1553 C PRO A 97 8.544 -28.224 1.311 1.00 0.00 C ATOM 1554 O PRO A 97 8.265 -27.027 1.319 1.00 0.00 O ATOM 1555 CB PRO A 97 10.538 -28.482 2.842 1.00 0.00 C ATOM 1556 CG PRO A 97 11.364 -29.413 2.005 1.00 0.00 C ATOM 1557 CD PRO A 97 10.623 -30.739 1.950 1.00 0.00 C ATOM 0 HA PRO A 97 8.374 -28.626 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.702 -27.443 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.793 -28.567 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.505 -29.008 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.356 -29.543 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.585 -31.142 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.096 -31.495 2.577 1.00 0.00 H new ATOM 1565 N MET A 98 8.396 -28.990 0.225 1.00 0.00 N ATOM 1566 CA MET A 98 8.079 -28.432 -1.096 1.00 0.00 C ATOM 1567 C MET A 98 6.565 -28.426 -1.377 1.00 0.00 C ATOM 1568 O MET A 98 5.758 -28.776 -0.518 1.00 0.00 O ATOM 1569 CB MET A 98 8.810 -29.221 -2.181 1.00 0.00 C ATOM 1570 CG MET A 98 10.326 -29.086 -2.146 1.00 0.00 C ATOM 1571 SD MET A 98 11.107 -29.621 -3.681 1.00 0.00 S ATOM 1572 CE MET A 98 10.873 -31.394 -3.579 1.00 0.00 C ATOM 0 H MET A 98 8.491 -30.005 0.235 1.00 0.00 H new ATOM 0 HA MET A 98 8.415 -27.395 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.549 -30.275 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.451 -28.892 -3.156 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.590 -28.046 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.720 -29.675 -1.318 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.320 -31.871 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.349 -31.772 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.807 -31.619 -3.549 1.00 0.00 H new ATOM 1582 N ILE A 99 6.197 -28.029 -2.599 1.00 0.00 N ATOM 1583 CA ILE A 99 4.786 -27.866 -2.988 1.00 0.00 C ATOM 1584 C ILE A 99 4.004 -29.195 -2.920 1.00 0.00 C ATOM 1585 O ILE A 99 2.795 -29.203 -2.686 1.00 0.00 O ATOM 1586 CB ILE A 99 4.664 -27.286 -4.409 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.141 -25.832 -4.435 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.230 -27.389 -4.904 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.282 -25.260 -5.827 1.00 0.00 C ATOM 0 H ILE A 99 6.860 -27.812 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 99 4.351 -27.171 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 99 5.299 -27.868 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.439 -25.219 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.103 -25.766 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.162 -26.975 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.925 -28.435 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.574 -26.831 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.624 -24.227 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.007 -25.848 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.317 -25.292 -6.333 1.00 0.00 H new ATOM 1601 N GLY A 100 4.699 -30.318 -3.112 1.00 0.00 N ATOM 1602 CA GLY A 100 4.024 -31.613 -3.101 1.00 0.00 C ATOM 1603 C GLY A 100 4.918 -32.801 -2.732 1.00 0.00 C ATOM 1604 O GLY A 100 5.145 -33.082 -1.554 1.00 0.00 O ATOM 0 H GLY A 100 5.705 -30.357 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.194 -31.568 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.595 -31.792 -4.087 1.00 0.00 H new ATOM 1608 N GLU A 101 5.455 -33.473 -3.748 1.00 0.00 N ATOM 1609 CA GLU A 101 6.261 -34.685 -3.548 1.00 0.00 C ATOM 1610 C GLU A 101 7.749 -34.402 -3.293 1.00 0.00 C ATOM 1611 O GLU A 101 8.507 -34.097 -4.213 1.00 0.00 O ATOM 1612 CB GLU A 101 6.117 -35.608 -4.760 1.00 0.00 C ATOM 1613 CG GLU A 101 6.836 -36.942 -4.623 1.00 0.00 C ATOM 1614 CD GLU A 101 6.678 -37.778 -5.862 1.00 0.00 C ATOM 1615 OE1 GLU A 101 6.035 -37.329 -6.781 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.291 -38.816 -5.937 1.00 0.00 O ATOM 0 H GLU A 101 5.348 -33.200 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 101 5.876 -35.164 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.058 -35.796 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.498 -35.092 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.895 -36.769 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.441 -37.484 -3.764 1.00 0.00 H new ATOM 1623 N ALA A 102 8.156 -34.503 -2.032 1.00 0.00 N ATOM 1624 CA ALA A 102 9.549 -34.273 -1.642 1.00 0.00 C ATOM 1625 C ALA A 102 10.100 -35.491 -0.879 1.00 0.00 C ATOM 1626 O ALA A 102 9.896 -35.630 0.325 1.00 0.00 O ATOM 1627 CB ALA A 102 9.660 -33.006 -0.806 1.00 0.00 C ATOM 0 H ALA A 102 7.539 -34.744 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 102 10.150 -34.139 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.700 -32.847 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.308 -32.154 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.051 -33.108 0.092 1.00 0.00 H new ATOM 1633 N PRO A 103 10.792 -36.410 -1.583 1.00 0.00 N ATOM 1634 CA PRO A 103 11.422 -37.597 -0.961 1.00 0.00 C ATOM 1635 C PRO A 103 12.624 -37.256 -0.060 1.00 0.00 C ATOM 1636 O PRO A 103 13.775 -37.464 -0.447 1.00 0.00 O ATOM 1637 CB PRO A 103 11.843 -38.451 -2.162 1.00 0.00 C ATOM 1638 CG PRO A 103 12.091 -37.463 -3.251 1.00 0.00 C ATOM 1639 CD PRO A 103 11.043 -36.397 -3.070 1.00 0.00 C ATOM 0 HA PRO A 103 10.734 -38.106 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.738 -39.033 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.062 -39.160 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.095 -37.043 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.010 -37.931 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.396 -35.423 -3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.138 -36.623 -3.633 1.00 0.00 H new ATOM 1647 N LEU A 104 12.353 -36.722 1.138 1.00 0.00 N ATOM 1648 CA LEU A 104 13.411 -36.293 2.075 1.00 0.00 C ATOM 1649 C LEU A 104 14.379 -35.289 1.399 1.00 0.00 C ATOM 1650 O LEU A 104 15.588 -35.297 1.640 1.00 0.00 O ATOM 1651 CB LEU A 104 14.181 -37.513 2.596 1.00 0.00 C ATOM 1652 CG LEU A 104 13.323 -38.584 3.282 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.191 -39.764 3.695 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.624 -37.978 4.491 1.00 0.00 C ATOM 0 H LEU A 104 11.406 -36.574 1.487 1.00 0.00 H new ATOM 0 HA LEU A 104 12.938 -35.788 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.709 -37.973 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.938 -37.170 3.301 1.00 0.00 H new ATOM 0 HG LEU A 104 12.567 -38.946 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.572 -40.518 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.663 -40.195 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.961 -39.425 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.014 -38.739 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.370 -37.606 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.987 -37.155 4.168 1.00 0.00 H new ATOM 1666 N GLU A 105 13.822 -34.398 0.582 1.00 0.00 N ATOM 1667 CA GLU A 105 14.613 -33.413 -0.157 1.00 0.00 C ATOM 1668 C GLU A 105 15.000 -32.219 0.729 1.00 0.00 C ATOM 1669 O GLU A 105 14.271 -31.227 0.825 1.00 0.00 O ATOM 1670 CB GLU A 105 13.842 -32.929 -1.387 1.00 0.00 C ATOM 1671 CG GLU A 105 13.596 -34.001 -2.438 1.00 0.00 C ATOM 1672 CD GLU A 105 14.857 -34.333 -3.186 1.00 0.00 C ATOM 1673 OE1 GLU A 105 15.868 -33.733 -2.904 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.840 -35.261 -3.960 1.00 0.00 O ATOM 0 H GLU A 105 12.818 -34.337 0.413 1.00 0.00 H new ATOM 0 HA GLU A 105 15.533 -33.901 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.882 -32.528 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.393 -32.108 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.207 -34.900 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.835 -33.658 -3.139 1.00 0.00 H new ATOM 1681 N HIS A 106 16.148 -32.324 1.388 1.00 0.00 N ATOM 1682 CA HIS A 106 16.662 -31.234 2.214 1.00 0.00 C ATOM 1683 C HIS A 106 17.580 -30.325 1.383 1.00 0.00 C ATOM 1684 O HIS A 106 18.805 -30.423 1.467 1.00 0.00 O ATOM 1685 CB HIS A 106 17.414 -31.780 3.431 1.00 0.00 C ATOM 1686 CG HIS A 106 16.549 -32.560 4.373 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.566 -31.972 5.139 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.520 -33.880 4.670 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.968 -32.898 5.869 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.529 -34.064 5.603 1.00 0.00 N ATOM 0 H HIS A 106 16.742 -33.153 1.367 1.00 0.00 H new ATOM 0 HA HIS A 106 15.816 -30.647 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.229 -32.417 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.866 -30.948 3.971 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.336 -30.978 5.142 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.157 -34.645 4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.159 -32.730 6.564 1.00 0.00 H new ATOM 1695 N HIS A 107 16.980 -29.461 0.565 1.00 0.00 N ATOM 1696 CA HIS A 107 17.744 -28.581 -0.330 1.00 0.00 C ATOM 1697 C HIS A 107 18.465 -27.469 0.451 1.00 0.00 C ATOM 1698 O HIS A 107 18.001 -27.046 1.512 1.00 0.00 O ATOM 1699 CB HIS A 107 16.827 -27.962 -1.389 1.00 0.00 C ATOM 1700 CG HIS A 107 16.270 -28.958 -2.358 1.00 0.00 C ATOM 1701 ND1 HIS A 107 15.049 -28.792 -2.976 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.767 -30.132 -2.815 1.00 0.00 C ATOM 1703 CE1 HIS A 107 14.818 -29.822 -3.773 1.00 0.00 C ATOM 1704 NE2 HIS A 107 15.845 -30.648 -3.692 1.00 0.00 N ATOM 0 H HIS A 107 15.968 -29.349 0.501 1.00 0.00 H new ATOM 0 HA HIS A 107 18.498 -29.194 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.002 -27.453 -0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.383 -27.204 -1.940 1.00 0.00 H new ATOM 0 HD1 HIS A 107 14.422 -27.999 -2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.711 -30.579 -2.541 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.940 -29.963 -4.385 1.00 0.00 H new