USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 93 TYR OH : rot 34:sc= -7.9! USER MOD Set 1.2: A 94 HIS : no HD1:sc= -32.6! C(o=-41!,f=-33!) USER MOD Set 2.1: A 39 SER OG : rot -147:sc= -3.9! USER MOD Set 2.2: A 44 THR OG1 : rot -70:sc= -10.4! USER MOD Set 2.3: A 46 THR OG1 : rot -74:sc= -5.13! USER MOD Set 2.4: A 65 HIS : no HD1:sc= -23.8! C(o=-47!,f=-50!) USER MOD Set 2.5: A 67 LYS NZ :NH3+ -114:sc= -3.44! (180deg=-6.22!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -108:sc= 0.487 (180deg=-2.33!) USER MOD Set 3.2: A 64 TYR OH : rot -100:sc= -6.57! USER MOD Set 4.1: A 13 ASN : amide:sc= -25.4! C(o=-57!,f=-49!) USER MOD Set 4.2: A 20 LYS NZ :NH3+ 142:sc= -0.0766 (180deg=-0.162) USER MOD Set 4.3: A 35 MET CE :methyl 173:sc= -31.6! (180deg=-24.6!) USER MOD Single : A 4 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.034) USER MOD Single : A 5 ASN : amide:sc= -8.84! C(o=-8.8!,f=-10!) USER MOD Single : A 8 THR OG1 : rot 23:sc= 1.08 USER MOD Single : A 9 TYR OH : rot 165:sc= -1.81! USER MOD Single : A 12 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.0686 (180deg=-0.547) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -4.9! (180deg=-5.35!) USER MOD Single : A 28 THR OG1 : rot 137:sc= -6.4! USER MOD Single : A 30 LYS NZ :NH3+ 140:sc= -14.3! (180deg=-17.9!) USER MOD Single : A 41 THR OG1 : rot -163:sc= -8.49! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -37:sc= -17.6! USER MOD Single : A 51 THR OG1 : rot 118:sc= -2.23 USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -13.8! (180deg=-15.8!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.736 USER MOD Single : A 58 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.24) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.517 USER MOD Single : A 63 HIS : no HD1:sc= -7.17! K(o=-7.2!,f=-2.2) USER MOD Single : A 69 THR OG1 : rot 160:sc= -1.45 USER MOD Single : A 70 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.89) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.83! USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= -3.13! (180deg=-5.64!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -70:sc= -2.93! USER MOD Single : A 92 GLN : amide:sc= -14.5! C(o=-15!,f=-17!) USER MOD Single : A 95 GLN : amide:sc= -39.4! C(o=-39!,f=-51!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -4.94! C(o=-4.9!,f=-4.2!) USER MOD Single : A 103 THR OG1 : rot 20:sc= -8.8! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -44:sc= 0.617 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.518 10.610 7.773 1.00 0.00 C HETATM 2 O ACE A 3 -11.375 10.702 8.220 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.500 11.744 7.923 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.817 12.083 6.937 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.368 11.401 8.486 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.025 12.569 8.455 1.00 0.00 H new ATOM 7 N ASN A 4 -12.963 9.528 7.142 1.00 0.00 N ATOM 8 CA ASN A 4 -12.115 8.361 6.934 1.00 0.00 C ATOM 9 C ASN A 4 -10.639 8.751 6.954 1.00 0.00 C ATOM 10 O ASN A 4 -10.033 8.869 8.019 1.00 0.00 O ATOM 11 CB ASN A 4 -12.457 7.685 5.605 1.00 0.00 C ATOM 12 CG ASN A 4 -13.827 7.036 5.623 1.00 0.00 C ATOM 13 OD1 ASN A 4 -14.554 7.067 4.631 1.00 0.00 O ATOM 14 ND2 ASN A 4 -14.185 6.443 6.755 1.00 0.00 N ATOM 0 H ASN A 4 -13.907 9.436 6.766 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.299 7.660 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.418 8.423 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.703 6.930 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.095 5.989 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.550 6.442 7.553 1.00 0.00 H new ATOM 21 N ASN A 5 -10.069 8.948 5.771 1.00 0.00 N ATOM 22 CA ASN A 5 -8.665 9.324 5.652 1.00 0.00 C ATOM 23 C ASN A 5 -7.768 8.302 6.343 1.00 0.00 C ATOM 24 O ASN A 5 -8.162 7.683 7.331 1.00 0.00 O ATOM 25 CB ASN A 5 -8.435 10.712 6.253 1.00 0.00 C ATOM 26 CG ASN A 5 -8.398 11.800 5.198 1.00 0.00 C ATOM 27 OD1 ASN A 5 -8.354 11.519 4.000 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.415 13.053 5.639 1.00 0.00 N ATOM 0 H ASN A 5 -10.557 8.854 4.880 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.409 9.348 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.227 10.931 6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.496 10.714 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.391 13.827 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.452 13.241 6.641 1.00 0.00 H new ATOM 35 N LEU A 6 -6.560 8.132 5.816 1.00 0.00 N ATOM 36 CA LEU A 6 -5.605 7.185 6.383 1.00 0.00 C ATOM 37 C LEU A 6 -4.309 7.876 6.754 1.00 0.00 C ATOM 38 O LEU A 6 -3.315 7.221 7.069 1.00 0.00 O ATOM 39 CB LEU A 6 -5.299 6.074 5.387 1.00 0.00 C ATOM 40 CG LEU A 6 -6.024 6.181 4.059 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.120 5.693 2.943 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.310 5.383 4.113 1.00 0.00 C ATOM 0 H LEU A 6 -6.219 8.637 4.998 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.057 6.762 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.226 6.063 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.551 5.118 5.845 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.279 7.222 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.644 5.771 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.218 6.304 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.848 4.653 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.828 5.462 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.081 4.337 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.948 5.775 4.905 1.00 0.00 H new ATOM 54 N GLU A 7 -4.314 9.196 6.703 1.00 0.00 N ATOM 55 CA GLU A 7 -3.122 9.965 7.023 1.00 0.00 C ATOM 56 C GLU A 7 -2.660 9.703 8.452 1.00 0.00 C ATOM 57 O GLU A 7 -2.266 10.624 9.168 1.00 0.00 O ATOM 58 CB GLU A 7 -3.374 11.459 6.815 1.00 0.00 C ATOM 59 CG GLU A 7 -4.782 11.896 7.183 1.00 0.00 C ATOM 60 CD GLU A 7 -5.690 12.017 5.975 1.00 0.00 C ATOM 61 OE1 GLU A 7 -6.042 10.972 5.390 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.048 13.158 5.614 1.00 0.00 O ATOM 0 H GLU A 7 -5.126 9.757 6.444 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.330 9.644 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.659 12.026 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.187 11.709 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.209 11.179 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.738 12.856 7.697 1.00 0.00 H new ATOM 69 N THR A 8 -2.707 8.439 8.858 1.00 0.00 N ATOM 70 CA THR A 8 -2.290 8.049 10.196 1.00 0.00 C ATOM 71 C THR A 8 -1.643 6.663 10.194 1.00 0.00 C ATOM 72 O THR A 8 -1.233 6.166 11.243 1.00 0.00 O ATOM 73 CB THR A 8 -3.486 8.063 11.148 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.268 7.189 12.242 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.783 7.654 10.485 1.00 0.00 C ATOM 0 H THR A 8 -3.031 7.666 8.276 1.00 0.00 H new ATOM 0 HA THR A 8 -1.548 8.771 10.538 1.00 0.00 H new ATOM 0 HB THR A 8 -3.577 9.097 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.305 7.050 12.363 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.591 7.685 11.216 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.006 8.340 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.688 6.641 10.093 1.00 0.00 H new ATOM 83 N TYR A 9 -1.556 6.035 9.020 1.00 0.00 N ATOM 84 CA TYR A 9 -0.961 4.709 8.918 1.00 0.00 C ATOM 85 C TYR A 9 0.504 4.785 8.547 1.00 0.00 C ATOM 86 O TYR A 9 0.878 5.448 7.580 1.00 0.00 O ATOM 87 CB TYR A 9 -1.704 3.874 7.884 1.00 0.00 C ATOM 88 CG TYR A 9 -3.171 3.787 8.189 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.635 2.911 9.159 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.088 4.599 7.537 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.974 2.839 9.471 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.435 4.529 7.844 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.872 3.650 8.811 1.00 0.00 C ATOM 94 OH TYR A 9 -7.211 3.583 9.121 1.00 0.00 O ATOM 0 H TYR A 9 -1.888 6.422 8.136 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.043 4.237 9.897 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.563 4.310 6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.279 2.871 7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.934 2.274 9.678 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.747 5.292 6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.319 2.151 10.229 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.142 5.161 7.327 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.671 4.367 8.754 1.00 0.00 H new ATOM 104 N GLU A 10 1.331 4.086 9.305 1.00 0.00 N ATOM 105 CA GLU A 10 2.751 4.065 9.026 1.00 0.00 C ATOM 106 C GLU A 10 2.964 3.947 7.532 1.00 0.00 C ATOM 107 O GLU A 10 3.960 4.423 6.995 1.00 0.00 O ATOM 108 CB GLU A 10 3.418 2.881 9.720 1.00 0.00 C ATOM 109 CG GLU A 10 2.429 1.847 10.208 1.00 0.00 C ATOM 110 CD GLU A 10 3.084 0.742 11.013 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.197 0.967 11.535 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.486 -0.349 11.121 1.00 0.00 O ATOM 0 H GLU A 10 1.044 3.531 10.111 1.00 0.00 H new ATOM 0 HA GLU A 10 3.195 4.988 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.117 2.409 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.002 3.245 10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.671 2.336 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.914 1.411 9.352 1.00 0.00 H new ATOM 119 N TRP A 11 2.023 3.276 6.874 1.00 0.00 N ATOM 120 CA TRP A 11 2.099 3.043 5.445 1.00 0.00 C ATOM 121 C TRP A 11 1.612 4.219 4.604 1.00 0.00 C ATOM 122 O TRP A 11 2.129 4.457 3.514 1.00 0.00 O ATOM 123 CB TRP A 11 1.284 1.807 5.093 1.00 0.00 C ATOM 124 CG TRP A 11 -0.044 1.707 5.805 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.324 1.020 6.958 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.285 2.279 5.376 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.666 1.127 7.257 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.272 1.899 6.302 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.653 3.076 4.299 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.605 2.289 6.171 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.970 3.463 4.168 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.934 3.067 5.099 1.00 0.00 C ATOM 0 H TRP A 11 1.193 2.883 7.318 1.00 0.00 H new ATOM 0 HA TRP A 11 3.154 2.904 5.209 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.107 1.799 4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.874 0.920 5.325 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.400 0.475 7.546 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.131 0.701 8.058 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.917 3.389 3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.350 1.986 6.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.261 4.082 3.332 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.959 3.383 4.968 1.00 0.00 H new ATOM 143 N TYR A 12 0.597 4.929 5.078 1.00 0.00 N ATOM 144 CA TYR A 12 0.049 6.039 4.308 1.00 0.00 C ATOM 145 C TYR A 12 0.991 7.230 4.228 1.00 0.00 C ATOM 146 O TYR A 12 1.634 7.607 5.208 1.00 0.00 O ATOM 147 CB TYR A 12 -1.290 6.499 4.873 1.00 0.00 C ATOM 148 CG TYR A 12 -2.017 7.437 3.938 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.666 6.952 2.812 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.047 8.806 4.172 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.327 7.801 1.949 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.707 9.662 3.314 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.346 9.155 2.204 1.00 0.00 C ATOM 154 OH TYR A 12 -4.006 10.005 1.345 1.00 0.00 O ATOM 0 H TYR A 12 0.143 4.761 5.976 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.091 5.653 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.916 5.629 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.126 6.997 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.654 5.892 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.545 9.207 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.828 7.406 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.722 10.724 3.512 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.924 10.926 1.669 1.00 0.00 H new ATOM 164 N ASN A 13 1.035 7.827 3.042 1.00 0.00 N ATOM 165 CA ASN A 13 1.862 9.001 2.791 1.00 0.00 C ATOM 166 C ASN A 13 1.133 9.973 1.871 1.00 0.00 C ATOM 167 O ASN A 13 1.079 9.771 0.658 1.00 0.00 O ATOM 168 CB ASN A 13 3.195 8.598 2.169 1.00 0.00 C ATOM 169 CG ASN A 13 4.227 8.239 3.220 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.028 8.489 4.409 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.335 7.651 2.791 1.00 0.00 N ATOM 0 H ASN A 13 0.501 7.513 2.232 1.00 0.00 H new ATOM 0 HA ASN A 13 2.057 9.492 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.043 7.747 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.571 9.417 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.063 7.388 3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.460 7.462 1.796 1.00 0.00 H new ATOM 178 N LYS A 14 0.563 11.020 2.455 1.00 0.00 N ATOM 179 CA LYS A 14 -0.175 12.014 1.685 1.00 0.00 C ATOM 180 C LYS A 14 0.754 12.827 0.788 1.00 0.00 C ATOM 181 O LYS A 14 1.937 12.991 1.083 1.00 0.00 O ATOM 182 CB LYS A 14 -0.942 12.950 2.618 1.00 0.00 C ATOM 183 CG LYS A 14 -0.042 13.785 3.516 1.00 0.00 C ATOM 184 CD LYS A 14 0.125 13.147 4.885 1.00 0.00 C ATOM 185 CE LYS A 14 -1.219 12.845 5.527 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.100 14.044 5.561 1.00 0.00 N ATOM 0 H LYS A 14 0.597 11.203 3.458 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.882 11.480 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.564 13.616 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.614 12.359 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.935 13.902 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.464 14.784 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.699 12.225 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.696 13.814 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.714 12.046 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.063 12.481 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.658 14.040 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.517 14.904 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.741 14.027 4.742 1.00 0.00 H new ATOM 200 N SER A 15 0.198 13.343 -0.305 1.00 0.00 N ATOM 201 CA SER A 15 0.957 14.156 -1.252 1.00 0.00 C ATOM 202 C SER A 15 2.145 13.392 -1.835 1.00 0.00 C ATOM 203 O SER A 15 2.908 13.937 -2.632 1.00 0.00 O ATOM 204 CB SER A 15 1.450 15.434 -0.571 1.00 0.00 C ATOM 205 OG SER A 15 0.523 16.493 -0.741 1.00 0.00 O ATOM 0 H SER A 15 -0.781 13.212 -0.558 1.00 0.00 H new ATOM 0 HA SER A 15 0.288 14.411 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.603 15.248 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.416 15.722 -0.986 1.00 0.00 H new ATOM 0 HG SER A 15 0.860 17.298 -0.295 1.00 0.00 H new ATOM 211 N ILE A 16 2.305 12.136 -1.432 1.00 0.00 N ATOM 212 CA ILE A 16 3.407 11.318 -1.913 1.00 0.00 C ATOM 213 C ILE A 16 3.363 11.106 -3.417 1.00 0.00 C ATOM 214 O ILE A 16 2.359 11.372 -4.076 1.00 0.00 O ATOM 215 CB ILE A 16 3.405 9.933 -1.252 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.634 9.769 -0.374 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.369 8.840 -2.312 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.084 8.330 -0.250 1.00 0.00 C ATOM 0 H ILE A 16 1.685 11.664 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 16 4.311 11.868 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 16 2.514 9.846 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.449 10.365 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.420 10.164 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.368 7.863 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.467 8.947 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.246 8.926 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.965 8.278 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.283 7.735 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.328 7.939 -1.238 1.00 0.00 H new ATOM 230 N SER A 17 4.468 10.590 -3.934 1.00 0.00 N ATOM 231 CA SER A 17 4.606 10.284 -5.343 1.00 0.00 C ATOM 232 C SER A 17 5.013 8.825 -5.505 1.00 0.00 C ATOM 233 O SER A 17 5.057 8.077 -4.529 1.00 0.00 O ATOM 234 CB SER A 17 5.654 11.192 -5.976 1.00 0.00 C ATOM 235 OG SER A 17 6.277 12.010 -5.002 1.00 0.00 O ATOM 0 H SER A 17 5.297 10.372 -3.381 1.00 0.00 H new ATOM 0 HA SER A 17 3.652 10.451 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.406 10.587 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.186 11.818 -6.735 1.00 0.00 H new ATOM 0 HG SER A 17 6.946 12.581 -5.434 1.00 0.00 H new ATOM 241 N ARG A 18 5.320 8.423 -6.728 1.00 0.00 N ATOM 242 CA ARG A 18 5.736 7.050 -6.986 1.00 0.00 C ATOM 243 C ARG A 18 7.162 6.819 -6.491 1.00 0.00 C ATOM 244 O ARG A 18 7.455 5.809 -5.851 1.00 0.00 O ATOM 245 CB ARG A 18 5.643 6.737 -8.480 1.00 0.00 C ATOM 246 CG ARG A 18 6.265 7.804 -9.367 1.00 0.00 C ATOM 247 CD ARG A 18 7.649 7.395 -9.843 1.00 0.00 C ATOM 248 NE ARG A 18 7.814 7.594 -11.280 1.00 0.00 N ATOM 249 CZ ARG A 18 6.986 7.096 -12.192 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.940 6.373 -11.816 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.203 7.319 -13.481 1.00 0.00 N ATOM 0 H ARG A 18 5.290 9.021 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 18 5.066 6.382 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.135 5.784 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.595 6.616 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.621 7.983 -10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.331 8.743 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.402 7.974 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.821 6.346 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 18 8.609 8.146 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.770 6.199 -10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.305 5.991 -12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.007 7.874 -13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.566 6.936 -14.179 1.00 0.00 H new ATOM 265 N ASP A 19 8.043 7.763 -6.805 1.00 0.00 N ATOM 266 CA ASP A 19 9.447 7.677 -6.413 1.00 0.00 C ATOM 267 C ASP A 19 9.654 7.944 -4.922 1.00 0.00 C ATOM 268 O ASP A 19 10.529 7.345 -4.296 1.00 0.00 O ATOM 269 CB ASP A 19 10.273 8.673 -7.221 1.00 0.00 C ATOM 270 CG ASP A 19 10.580 8.173 -8.620 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.238 7.119 -8.742 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.161 8.836 -9.592 1.00 0.00 O ATOM 0 H ASP A 19 7.808 8.603 -7.334 1.00 0.00 H new ATOM 0 HA ASP A 19 9.774 6.657 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.734 9.618 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.208 8.874 -6.697 1.00 0.00 H new ATOM 277 N LYS A 20 8.868 8.857 -4.361 1.00 0.00 N ATOM 278 CA LYS A 20 9.001 9.207 -2.950 1.00 0.00 C ATOM 279 C LYS A 20 8.854 7.977 -2.063 1.00 0.00 C ATOM 280 O LYS A 20 9.707 7.701 -1.207 1.00 0.00 O ATOM 281 CB LYS A 20 7.958 10.257 -2.566 1.00 0.00 C ATOM 282 CG LYS A 20 8.249 10.945 -1.242 1.00 0.00 C ATOM 283 CD LYS A 20 7.906 10.046 -0.065 1.00 0.00 C ATOM 284 CE LYS A 20 8.032 10.787 1.256 1.00 0.00 C ATOM 285 NZ LYS A 20 6.818 10.622 2.103 1.00 0.00 N ATOM 0 H LYS A 20 8.136 9.366 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 20 9.998 9.620 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.904 11.009 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.979 9.782 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.303 11.221 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.675 11.869 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.889 9.670 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.568 9.180 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.904 10.420 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.199 11.847 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.100 10.532 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.201 11.452 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.304 9.766 1.810 1.00 0.00 H new ATOM 299 N ALA A 21 7.783 7.226 -2.272 1.00 0.00 N ATOM 300 CA ALA A 21 7.566 6.032 -1.482 1.00 0.00 C ATOM 301 C ALA A 21 8.732 5.066 -1.684 1.00 0.00 C ATOM 302 O ALA A 21 9.294 4.537 -0.724 1.00 0.00 O ATOM 303 CB ALA A 21 6.230 5.384 -1.802 1.00 0.00 C ATOM 0 H ALA A 21 7.065 7.420 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 21 7.526 6.310 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.103 4.491 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.425 6.087 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.203 5.108 -2.856 1.00 0.00 H new ATOM 309 N GLU A 22 9.142 4.876 -2.930 1.00 0.00 N ATOM 310 CA GLU A 22 10.283 4.018 -3.197 1.00 0.00 C ATOM 311 C GLU A 22 11.458 4.544 -2.386 1.00 0.00 C ATOM 312 O GLU A 22 12.223 3.780 -1.783 1.00 0.00 O ATOM 313 CB GLU A 22 10.622 4.012 -4.690 1.00 0.00 C ATOM 314 CG GLU A 22 9.558 3.355 -5.554 1.00 0.00 C ATOM 315 CD GLU A 22 10.115 2.239 -6.416 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.356 2.127 -6.513 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.311 1.477 -6.992 1.00 0.00 O ATOM 0 H GLU A 22 8.712 5.295 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 22 10.054 2.991 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.767 5.039 -5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.569 3.492 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.771 2.957 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.098 4.108 -6.194 1.00 0.00 H new ATOM 324 N LYS A 23 11.560 5.873 -2.349 1.00 0.00 N ATOM 325 CA LYS A 23 12.600 6.546 -1.590 1.00 0.00 C ATOM 326 C LYS A 23 12.456 6.208 -0.117 1.00 0.00 C ATOM 327 O LYS A 23 13.405 5.756 0.523 1.00 0.00 O ATOM 328 CB LYS A 23 12.504 8.059 -1.774 1.00 0.00 C ATOM 329 CG LYS A 23 11.997 8.780 -0.533 1.00 0.00 C ATOM 330 CD LYS A 23 11.711 10.245 -0.812 1.00 0.00 C ATOM 331 CE LYS A 23 10.900 10.872 0.310 1.00 0.00 C ATOM 332 NZ LYS A 23 10.533 12.284 0.009 1.00 0.00 N ATOM 0 H LYS A 23 10.927 6.503 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 23 13.570 6.207 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.487 8.450 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.839 8.276 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.089 8.294 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.737 8.699 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.650 10.785 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.168 10.339 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.994 10.288 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.473 10.836 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.819 12.610 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.379 12.885 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.145 12.344 -0.954 1.00 0.00 H new ATOM 346 N LEU A 24 11.251 6.411 0.418 1.00 0.00 N ATOM 347 CA LEU A 24 11.002 6.098 1.819 1.00 0.00 C ATOM 348 C LEU A 24 11.208 4.604 2.043 1.00 0.00 C ATOM 349 O LEU A 24 11.704 4.186 3.089 1.00 0.00 O ATOM 350 CB LEU A 24 9.598 6.535 2.249 1.00 0.00 C ATOM 351 CG LEU A 24 8.567 5.418 2.358 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.405 5.859 3.224 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.085 5.035 0.977 1.00 0.00 C ATOM 0 H LEU A 24 10.448 6.784 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 24 11.708 6.653 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.672 7.033 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.233 7.275 1.536 1.00 0.00 H new ATOM 0 HG LEU A 24 9.029 4.548 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.676 5.052 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.768 6.107 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.934 6.736 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.348 4.236 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.630 5.902 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.929 4.691 0.379 1.00 0.00 H new ATOM 365 N LEU A 25 10.852 3.805 1.035 1.00 0.00 N ATOM 366 CA LEU A 25 11.037 2.360 1.114 1.00 0.00 C ATOM 367 C LEU A 25 12.521 2.040 1.184 1.00 0.00 C ATOM 368 O LEU A 25 12.982 1.358 2.099 1.00 0.00 O ATOM 369 CB LEU A 25 10.427 1.656 -0.101 1.00 0.00 C ATOM 370 CG LEU A 25 8.940 1.324 0.017 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.517 1.304 1.475 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.112 2.316 -0.779 1.00 0.00 C ATOM 0 H LEU A 25 10.438 4.133 0.163 1.00 0.00 H new ATOM 0 HA LEU A 25 10.532 2.002 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.573 2.287 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.976 0.731 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 25 8.768 0.331 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.455 1.066 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.093 0.549 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.699 2.282 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.055 2.066 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.282 3.322 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.403 2.273 -1.829 1.00 0.00 H new ATOM 384 N LEU A 26 13.268 2.547 0.205 1.00 0.00 N ATOM 385 CA LEU A 26 14.707 2.324 0.152 1.00 0.00 C ATOM 386 C LEU A 26 15.389 2.899 1.390 1.00 0.00 C ATOM 387 O LEU A 26 16.376 2.350 1.879 1.00 0.00 O ATOM 388 CB LEU A 26 15.294 2.960 -1.106 1.00 0.00 C ATOM 389 CG LEU A 26 15.366 2.040 -2.326 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.034 0.723 -1.962 1.00 0.00 C ATOM 391 CD2 LEU A 26 13.976 1.796 -2.891 1.00 0.00 C ATOM 0 H LEU A 26 12.900 3.113 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 26 14.884 1.249 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.697 3.834 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.299 3.316 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 26 15.967 2.529 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.076 0.081 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.045 0.915 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.460 0.228 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.046 1.140 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.351 1.327 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.533 2.746 -3.190 1.00 0.00 H new ATOM 403 N ASP A 27 14.857 4.011 1.888 1.00 0.00 N ATOM 404 CA ASP A 27 15.415 4.667 3.065 1.00 0.00 C ATOM 405 C ASP A 27 15.378 3.743 4.278 1.00 0.00 C ATOM 406 O ASP A 27 16.379 3.581 4.977 1.00 0.00 O ATOM 407 CB ASP A 27 14.645 5.954 3.370 1.00 0.00 C ATOM 408 CG ASP A 27 14.896 7.035 2.336 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.964 7.004 1.692 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.022 7.913 2.172 1.00 0.00 O ATOM 0 H ASP A 27 14.039 4.477 1.494 1.00 0.00 H new ATOM 0 HA ASP A 27 16.455 4.912 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.578 5.735 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.933 6.322 4.355 1.00 0.00 H new ATOM 415 N THR A 28 14.221 3.138 4.523 1.00 0.00 N ATOM 416 CA THR A 28 14.060 2.227 5.654 1.00 0.00 C ATOM 417 C THR A 28 14.508 0.823 5.276 1.00 0.00 C ATOM 418 O THR A 28 15.365 0.231 5.933 1.00 0.00 O ATOM 419 CB THR A 28 12.604 2.209 6.115 1.00 0.00 C ATOM 420 OG1 THR A 28 12.442 1.360 7.237 1.00 0.00 O ATOM 421 CG2 THR A 28 11.632 1.750 5.049 1.00 0.00 C ATOM 0 H THR A 28 13.382 3.260 3.956 1.00 0.00 H new ATOM 0 HA THR A 28 14.684 2.581 6.474 1.00 0.00 H new ATOM 0 HB THR A 28 12.375 3.245 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.862 1.796 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.619 1.764 5.450 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.691 2.419 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.885 0.737 4.738 1.00 0.00 H new ATOM 429 N GLY A 29 13.935 0.308 4.199 1.00 0.00 N ATOM 430 CA GLY A 29 14.294 -1.015 3.723 1.00 0.00 C ATOM 431 C GLY A 29 13.792 -2.144 4.607 1.00 0.00 C ATOM 432 O GLY A 29 14.585 -2.839 5.244 1.00 0.00 O ATOM 0 H GLY A 29 13.225 0.784 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.895 -1.149 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.379 -1.081 3.647 1.00 0.00 H new ATOM 436 N LYS A 30 12.479 -2.348 4.626 1.00 0.00 N ATOM 437 CA LYS A 30 11.883 -3.425 5.414 1.00 0.00 C ATOM 438 C LYS A 30 11.239 -4.453 4.495 1.00 0.00 C ATOM 439 O LYS A 30 10.251 -4.158 3.823 1.00 0.00 O ATOM 440 CB LYS A 30 10.824 -2.889 6.379 1.00 0.00 C ATOM 441 CG LYS A 30 11.253 -1.651 7.139 1.00 0.00 C ATOM 442 CD LYS A 30 11.118 -0.404 6.288 1.00 0.00 C ATOM 443 CE LYS A 30 10.135 -0.608 5.147 1.00 0.00 C ATOM 444 NZ LYS A 30 8.727 -0.679 5.628 1.00 0.00 N ATOM 0 H LYS A 30 11.807 -1.784 4.106 1.00 0.00 H new ATOM 0 HA LYS A 30 12.682 -3.890 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.917 -2.662 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.569 -3.672 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.647 -1.546 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.288 -1.762 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.787 0.427 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.093 -0.131 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.233 0.210 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.383 -1.526 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.108 -0.165 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.428 -1.674 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.660 -0.248 6.572 1.00 0.00 H new ATOM 458 N GLU A 31 11.794 -5.658 4.461 1.00 0.00 N ATOM 459 CA GLU A 31 11.243 -6.701 3.612 1.00 0.00 C ATOM 460 C GLU A 31 9.723 -6.599 3.594 1.00 0.00 C ATOM 461 O GLU A 31 9.060 -6.888 4.589 1.00 0.00 O ATOM 462 CB GLU A 31 11.673 -8.082 4.109 1.00 0.00 C ATOM 463 CG GLU A 31 11.212 -9.221 3.215 1.00 0.00 C ATOM 464 CD GLU A 31 10.429 -10.276 3.971 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.963 -10.815 4.963 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.281 -10.563 3.571 1.00 0.00 O ATOM 0 H GLU A 31 12.613 -5.933 5.003 1.00 0.00 H new ATOM 0 HA GLU A 31 11.624 -6.567 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.760 -8.109 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.278 -8.237 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.593 -8.820 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.080 -9.684 2.747 1.00 0.00 H new ATOM 473 N GLY A 32 9.178 -6.173 2.462 1.00 0.00 N ATOM 474 CA GLY A 32 7.745 -6.024 2.343 1.00 0.00 C ATOM 475 C GLY A 32 7.274 -4.672 2.836 1.00 0.00 C ATOM 476 O GLY A 32 6.129 -4.521 3.261 1.00 0.00 O ATOM 0 H GLY A 32 9.706 -5.928 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.452 -6.152 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.250 -6.811 2.912 1.00 0.00 H new ATOM 480 N ALA A 33 8.160 -3.680 2.770 1.00 0.00 N ATOM 481 CA ALA A 33 7.826 -2.331 3.206 1.00 0.00 C ATOM 482 C ALA A 33 6.523 -1.885 2.556 1.00 0.00 C ATOM 483 O ALA A 33 6.402 -1.912 1.330 1.00 0.00 O ATOM 484 CB ALA A 33 8.949 -1.373 2.850 1.00 0.00 C ATOM 0 H ALA A 33 9.112 -3.787 2.419 1.00 0.00 H new ATOM 0 HA ALA A 33 7.698 -2.328 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.688 -0.368 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.868 -1.690 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.098 -1.372 1.770 1.00 0.00 H new ATOM 490 N PHE A 34 5.543 -1.495 3.368 1.00 0.00 N ATOM 491 CA PHE A 34 4.252 -1.073 2.834 1.00 0.00 C ATOM 492 C PHE A 34 3.991 0.416 3.017 1.00 0.00 C ATOM 493 O PHE A 34 4.150 0.962 4.103 1.00 0.00 O ATOM 494 CB PHE A 34 3.118 -1.843 3.492 1.00 0.00 C ATOM 495 CG PHE A 34 1.804 -1.155 3.313 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.317 -0.909 2.045 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.056 -0.750 4.397 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.114 -0.269 1.863 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.140 -0.116 4.221 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.618 0.132 2.956 1.00 0.00 C ATOM 0 H PHE A 34 5.616 -1.463 4.385 1.00 0.00 H new ATOM 0 HA PHE A 34 4.290 -1.285 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.064 -2.845 3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.326 -1.958 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.889 -1.224 1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.420 -0.936 5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.255 -0.082 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.715 0.193 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.562 0.639 2.822 1.00 0.00 H new ATOM 510 N MET A 35 3.559 1.060 1.942 1.00 0.00 N ATOM 511 CA MET A 35 3.240 2.480 1.977 1.00 0.00 C ATOM 512 C MET A 35 1.992 2.758 1.144 1.00 0.00 C ATOM 513 O MET A 35 1.621 1.950 0.297 1.00 0.00 O ATOM 514 CB MET A 35 4.422 3.290 1.452 1.00 0.00 C ATOM 515 CG MET A 35 4.026 4.591 0.777 1.00 0.00 C ATOM 516 SD MET A 35 3.509 5.838 1.958 1.00 0.00 S ATOM 517 CE MET A 35 4.553 5.387 3.329 1.00 0.00 C ATOM 0 H MET A 35 3.421 0.620 1.032 1.00 0.00 H new ATOM 0 HA MET A 35 3.042 2.776 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.094 3.512 2.281 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.981 2.680 0.743 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.869 4.969 0.198 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.215 4.401 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.459 6.133 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.249 4.413 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.590 5.339 2.996 1.00 0.00 H new ATOM 527 N VAL A 36 1.341 3.894 1.383 1.00 0.00 N ATOM 528 CA VAL A 36 0.140 4.242 0.630 1.00 0.00 C ATOM 529 C VAL A 36 0.167 5.694 0.182 1.00 0.00 C ATOM 530 O VAL A 36 0.755 6.548 0.844 1.00 0.00 O ATOM 531 CB VAL A 36 -1.144 3.998 1.434 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.365 4.431 0.634 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.246 2.537 1.822 1.00 0.00 C ATOM 0 H VAL A 36 1.621 4.581 2.083 1.00 0.00 H new ATOM 0 HA VAL A 36 0.136 3.589 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.107 4.596 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.266 4.251 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.290 5.493 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.414 3.859 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.161 2.375 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.266 1.922 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.385 2.261 2.431 1.00 0.00 H new ATOM 543 N ARG A 37 -0.474 5.965 -0.947 1.00 0.00 N ATOM 544 CA ARG A 37 -0.522 7.314 -1.483 1.00 0.00 C ATOM 545 C ARG A 37 -1.816 7.551 -2.255 1.00 0.00 C ATOM 546 O ARG A 37 -2.190 6.763 -3.124 1.00 0.00 O ATOM 547 CB ARG A 37 0.703 7.560 -2.368 1.00 0.00 C ATOM 548 CG ARG A 37 0.414 7.532 -3.857 1.00 0.00 C ATOM 549 CD ARG A 37 1.436 6.678 -4.588 1.00 0.00 C ATOM 550 NE ARG A 37 1.643 7.107 -5.970 1.00 0.00 N ATOM 551 CZ ARG A 37 0.661 7.400 -6.819 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.606 7.285 -6.447 1.00 0.00 N ATOM 553 NH2 ARG A 37 0.948 7.799 -8.051 1.00 0.00 N ATOM 0 H ARG A 37 -0.966 5.269 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.504 8.023 -0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.133 8.528 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.457 6.806 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.587 7.138 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.430 8.547 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.385 6.717 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.108 5.639 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 37 2.603 7.187 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.834 6.970 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.353 7.512 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.921 7.881 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.196 8.024 -8.702 1.00 0.00 H new ATOM 567 N ASP A 38 -2.503 8.636 -1.915 1.00 0.00 N ATOM 568 CA ASP A 38 -3.768 8.982 -2.556 1.00 0.00 C ATOM 569 C ASP A 38 -3.586 9.245 -4.046 1.00 0.00 C ATOM 570 O ASP A 38 -2.540 9.725 -4.483 1.00 0.00 O ATOM 571 CB ASP A 38 -4.383 10.211 -1.883 1.00 0.00 C ATOM 572 CG ASP A 38 -5.863 10.350 -2.179 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.528 9.312 -2.384 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.359 11.496 -2.206 1.00 0.00 O ATOM 0 H ASP A 38 -2.204 9.294 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.440 8.132 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.235 10.144 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.862 11.106 -2.221 1.00 0.00 H new ATOM 579 N SER A 39 -4.618 8.925 -4.821 1.00 0.00 N ATOM 580 CA SER A 39 -4.587 9.122 -6.263 1.00 0.00 C ATOM 581 C SER A 39 -5.752 9.997 -6.716 1.00 0.00 C ATOM 582 O SER A 39 -5.761 11.206 -6.486 1.00 0.00 O ATOM 583 CB SER A 39 -4.643 7.774 -6.981 1.00 0.00 C ATOM 584 OG SER A 39 -3.383 7.127 -6.950 1.00 0.00 O ATOM 0 H SER A 39 -5.489 8.526 -4.471 1.00 0.00 H new ATOM 0 HA SER A 39 -3.654 9.626 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.393 7.139 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.954 7.922 -8.015 1.00 0.00 H new ATOM 0 HG SER A 39 -3.263 6.605 -7.771 1.00 0.00 H new ATOM 590 N ARG A 40 -6.735 9.374 -7.358 1.00 0.00 N ATOM 591 CA ARG A 40 -7.911 10.087 -7.843 1.00 0.00 C ATOM 592 C ARG A 40 -9.050 9.114 -8.127 1.00 0.00 C ATOM 593 O ARG A 40 -9.594 8.499 -7.210 1.00 0.00 O ATOM 594 CB ARG A 40 -7.569 10.879 -9.107 1.00 0.00 C ATOM 595 CG ARG A 40 -6.872 12.201 -8.827 1.00 0.00 C ATOM 596 CD ARG A 40 -5.499 12.254 -9.475 1.00 0.00 C ATOM 597 NE ARG A 40 -4.613 13.200 -8.801 1.00 0.00 N ATOM 598 CZ ARG A 40 -3.767 14.001 -9.442 1.00 0.00 C ATOM 599 NH1 ARG A 40 -3.691 13.968 -10.765 1.00 0.00 N ATOM 600 NH2 ARG A 40 -2.995 14.835 -8.758 1.00 0.00 N ATOM 0 H ARG A 40 -6.740 8.373 -7.555 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.234 10.782 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.930 10.269 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.486 11.072 -9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.484 13.022 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.773 12.341 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.051 11.261 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.603 12.537 -10.522 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.645 13.249 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.282 13.327 -11.294 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.041 14.584 -11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.050 14.862 -7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.346 15.449 -9.250 1.00 0.00 H new ATOM 614 N THR A 41 -9.402 8.972 -9.401 1.00 0.00 N ATOM 615 CA THR A 41 -10.472 8.065 -9.799 1.00 0.00 C ATOM 616 C THR A 41 -11.514 7.959 -8.682 1.00 0.00 C ATOM 617 O THR A 41 -11.604 8.851 -7.838 1.00 0.00 O ATOM 618 CB THR A 41 -9.872 6.700 -10.144 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.679 6.009 -11.081 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.673 5.809 -8.940 1.00 0.00 C ATOM 0 H THR A 41 -8.963 9.472 -10.174 1.00 0.00 H new ATOM 0 HA THR A 41 -10.979 8.451 -10.683 1.00 0.00 H new ATOM 0 HB THR A 41 -8.893 6.919 -10.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.437 5.059 -11.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.245 4.858 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.997 6.294 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.634 5.631 -8.457 1.00 0.00 H new ATOM 628 N PRO A 42 -12.323 6.883 -8.646 1.00 0.00 N ATOM 629 CA PRO A 42 -13.348 6.710 -7.615 1.00 0.00 C ATOM 630 C PRO A 42 -12.883 7.156 -6.230 1.00 0.00 C ATOM 631 O PRO A 42 -13.686 7.256 -5.302 1.00 0.00 O ATOM 632 CB PRO A 42 -13.603 5.208 -7.650 1.00 0.00 C ATOM 633 CG PRO A 42 -13.408 4.845 -9.080 1.00 0.00 C ATOM 634 CD PRO A 42 -12.323 5.755 -9.602 1.00 0.00 C ATOM 0 HA PRO A 42 -14.233 7.318 -7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.910 4.670 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.610 4.966 -7.310 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.120 3.799 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.331 4.977 -9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.356 5.252 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.535 6.090 -10.617 1.00 0.00 H new ATOM 642 N GLY A 43 -11.589 7.434 -6.092 1.00 0.00 N ATOM 643 CA GLY A 43 -11.062 7.874 -4.812 1.00 0.00 C ATOM 644 C GLY A 43 -10.133 6.863 -4.176 1.00 0.00 C ATOM 645 O GLY A 43 -9.854 6.930 -2.979 1.00 0.00 O ATOM 0 H GLY A 43 -10.899 7.363 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.528 8.814 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.891 8.075 -4.133 1.00 0.00 H new ATOM 649 N THR A 44 -9.659 5.920 -4.976 1.00 0.00 N ATOM 650 CA THR A 44 -8.759 4.883 -4.484 1.00 0.00 C ATOM 651 C THR A 44 -7.471 5.474 -3.930 1.00 0.00 C ATOM 652 O THR A 44 -7.166 6.649 -4.135 1.00 0.00 O ATOM 653 CB THR A 44 -8.407 3.910 -5.604 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.040 3.552 -5.544 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.678 4.471 -6.978 1.00 0.00 C ATOM 0 H THR A 44 -9.881 5.850 -5.969 1.00 0.00 H new ATOM 0 HA THR A 44 -9.281 4.360 -3.682 1.00 0.00 H new ATOM 0 HB THR A 44 -9.046 3.040 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.489 4.324 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.407 3.732 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.737 4.713 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.086 5.374 -7.126 1.00 0.00 H new ATOM 663 N TYR A 45 -6.710 4.629 -3.249 1.00 0.00 N ATOM 664 CA TYR A 45 -5.434 5.025 -2.677 1.00 0.00 C ATOM 665 C TYR A 45 -4.318 4.181 -3.270 1.00 0.00 C ATOM 666 O TYR A 45 -4.560 3.086 -3.783 1.00 0.00 O ATOM 667 CB TYR A 45 -5.437 4.852 -1.163 1.00 0.00 C ATOM 668 CG TYR A 45 -6.531 5.608 -0.460 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.858 5.279 -0.664 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.233 6.639 0.419 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.869 5.958 -0.016 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.235 7.324 1.077 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.554 6.981 0.855 1.00 0.00 C ATOM 674 OH TYR A 45 -9.558 7.659 1.508 1.00 0.00 O ATOM 0 H TYR A 45 -6.959 3.655 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.271 6.077 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.535 3.792 -0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.474 5.178 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.108 4.477 -1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.202 6.910 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.901 5.691 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.989 8.123 1.761 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.166 8.348 2.085 1.00 0.00 H new ATOM 684 N THR A 46 -3.097 4.680 -3.188 1.00 0.00 N ATOM 685 CA THR A 46 -1.953 3.952 -3.709 1.00 0.00 C ATOM 686 C THR A 46 -1.198 3.270 -2.571 1.00 0.00 C ATOM 687 O THR A 46 -1.196 3.761 -1.444 1.00 0.00 O ATOM 688 CB THR A 46 -1.019 4.889 -4.468 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.760 5.817 -5.239 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.080 4.157 -5.402 1.00 0.00 C ATOM 0 H THR A 46 -2.873 5.582 -2.768 1.00 0.00 H new ATOM 0 HA THR A 46 -2.317 3.191 -4.399 1.00 0.00 H new ATOM 0 HB THR A 46 -0.428 5.397 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.141 5.363 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.559 4.877 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.538 3.466 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.660 3.600 -6.138 1.00 0.00 H new ATOM 698 N VAL A 47 -0.558 2.142 -2.867 1.00 0.00 N ATOM 699 CA VAL A 47 0.197 1.411 -1.854 1.00 0.00 C ATOM 700 C VAL A 47 1.627 1.164 -2.309 1.00 0.00 C ATOM 701 O VAL A 47 1.874 0.388 -3.229 1.00 0.00 O ATOM 702 CB VAL A 47 -0.439 0.053 -1.508 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.563 -0.818 -0.758 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.711 0.242 -0.694 1.00 0.00 C ATOM 0 H VAL A 47 -0.547 1.716 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 47 0.186 2.041 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.710 -0.451 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.103 -1.777 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.441 -0.983 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.862 -0.318 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.142 -0.732 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.476 0.765 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.427 0.828 -1.269 1.00 0.00 H new ATOM 714 N SER A 48 2.565 1.813 -1.643 1.00 0.00 N ATOM 715 CA SER A 48 3.971 1.651 -1.961 1.00 0.00 C ATOM 716 C SER A 48 4.539 0.468 -1.187 1.00 0.00 C ATOM 717 O SER A 48 4.635 0.509 0.042 1.00 0.00 O ATOM 718 CB SER A 48 4.746 2.928 -1.620 1.00 0.00 C ATOM 719 OG SER A 48 5.802 2.660 -0.720 1.00 0.00 O ATOM 0 H SER A 48 2.377 2.459 -0.876 1.00 0.00 H new ATOM 0 HA SER A 48 4.073 1.461 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.146 3.369 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.069 3.662 -1.182 1.00 0.00 H new ATOM 0 HG SER A 48 5.520 1.974 -0.080 1.00 0.00 H new ATOM 725 N VAL A 49 4.898 -0.591 -1.905 1.00 0.00 N ATOM 726 CA VAL A 49 5.446 -1.786 -1.274 1.00 0.00 C ATOM 727 C VAL A 49 6.904 -1.991 -1.674 1.00 0.00 C ATOM 728 O VAL A 49 7.261 -1.853 -2.844 1.00 0.00 O ATOM 729 CB VAL A 49 4.628 -3.037 -1.639 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.181 -2.878 -1.184 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.702 -3.303 -3.134 1.00 0.00 C ATOM 0 H VAL A 49 4.820 -0.646 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 49 5.390 -1.638 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 49 5.054 -3.896 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.616 -3.771 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.153 -2.739 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.739 -2.010 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.118 -4.191 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.301 -2.447 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.741 -3.462 -3.424 1.00 0.00 H new ATOM 741 N PHE A 50 7.747 -2.299 -0.692 1.00 0.00 N ATOM 742 CA PHE A 50 9.175 -2.497 -0.942 1.00 0.00 C ATOM 743 C PHE A 50 9.686 -3.780 -0.285 1.00 0.00 C ATOM 744 O PHE A 50 9.453 -4.018 0.903 1.00 0.00 O ATOM 745 CB PHE A 50 9.937 -1.276 -0.428 1.00 0.00 C ATOM 746 CG PHE A 50 11.358 -1.529 -0.030 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.659 -2.369 1.026 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.393 -0.900 -0.701 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.970 -2.583 1.405 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.704 -1.106 -0.326 1.00 0.00 C ATOM 751 CZ PHE A 50 13.993 -1.949 0.727 1.00 0.00 C ATOM 0 H PHE A 50 7.469 -2.417 0.282 1.00 0.00 H new ATOM 0 HA PHE A 50 9.339 -2.606 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.925 -0.509 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.403 -0.870 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.861 -2.863 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.171 -0.241 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.195 -3.244 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.503 -0.608 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.019 -2.113 1.021 1.00 0.00 H new ATOM 761 N THR A 51 10.365 -4.615 -1.077 1.00 0.00 N ATOM 762 CA THR A 51 10.890 -5.888 -0.580 1.00 0.00 C ATOM 763 C THR A 51 12.260 -6.231 -1.145 1.00 0.00 C ATOM 764 O THR A 51 12.470 -6.176 -2.355 1.00 0.00 O ATOM 765 CB THR A 51 9.951 -7.026 -0.954 1.00 0.00 C ATOM 766 OG1 THR A 51 8.929 -7.190 0.012 1.00 0.00 O ATOM 767 CG2 THR A 51 10.677 -8.342 -1.105 1.00 0.00 C ATOM 0 H THR A 51 10.563 -4.433 -2.061 1.00 0.00 H new ATOM 0 HA THR A 51 10.975 -5.771 0.500 1.00 0.00 H new ATOM 0 HB THR A 51 9.515 -6.749 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.056 -7.031 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.964 -9.122 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.430 -8.254 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.162 -8.600 -0.163 1.00 0.00 H new ATOM 775 N LYS A 52 13.176 -6.650 -0.274 1.00 0.00 N ATOM 776 CA LYS A 52 14.487 -7.067 -0.719 1.00 0.00 C ATOM 777 C LYS A 52 14.371 -7.813 -2.051 1.00 0.00 C ATOM 778 O LYS A 52 13.399 -8.526 -2.299 1.00 0.00 O ATOM 779 CB LYS A 52 15.145 -7.969 0.326 1.00 0.00 C ATOM 780 CG LYS A 52 15.579 -7.230 1.579 1.00 0.00 C ATOM 781 CD LYS A 52 14.451 -6.385 2.144 1.00 0.00 C ATOM 782 CE LYS A 52 14.856 -5.716 3.448 1.00 0.00 C ATOM 783 NZ LYS A 52 14.072 -4.478 3.705 1.00 0.00 N ATOM 0 H LYS A 52 13.029 -6.707 0.734 1.00 0.00 H new ATOM 0 HA LYS A 52 15.107 -6.181 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.447 -8.759 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.014 -8.453 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.909 -7.948 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.433 -6.593 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.165 -5.625 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.575 -7.011 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.713 -6.414 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.918 -5.473 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.020 -4.307 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.536 -3.671 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.111 -4.590 3.323 1.00 0.00 H new ATOM 797 N ALA A 53 15.390 -7.636 -2.891 1.00 0.00 N ATOM 798 CA ALA A 53 15.421 -8.288 -4.186 1.00 0.00 C ATOM 799 C ALA A 53 16.083 -7.426 -5.256 1.00 0.00 C ATOM 800 O ALA A 53 16.349 -6.245 -5.043 1.00 0.00 O ATOM 801 CB ALA A 53 14.003 -8.637 -4.603 1.00 0.00 C ATOM 0 H ALA A 53 16.199 -7.047 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 53 16.021 -9.193 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.020 -9.128 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.562 -9.308 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.408 -7.726 -4.666 1.00 0.00 H new ATOM 807 N ILE A 54 16.328 -8.041 -6.414 1.00 0.00 N ATOM 808 CA ILE A 54 16.946 -7.369 -7.558 1.00 0.00 C ATOM 809 C ILE A 54 18.012 -8.253 -8.197 1.00 0.00 C ATOM 810 O ILE A 54 18.002 -8.479 -9.406 1.00 0.00 O ATOM 811 CB ILE A 54 17.585 -6.021 -7.178 1.00 0.00 C ATOM 812 CG1 ILE A 54 18.431 -6.165 -5.912 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.513 -4.954 -7.004 1.00 0.00 C ATOM 814 CD1 ILE A 54 19.909 -5.947 -6.149 1.00 0.00 C ATOM 0 H ILE A 54 16.103 -9.021 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 54 16.141 -7.179 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 54 18.244 -5.708 -7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.081 -5.451 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.280 -7.161 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.982 -4.007 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 54 15.963 -4.835 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.825 -5.255 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.449 -6.064 -5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.273 -6.678 -6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.071 -4.942 -6.538 1.00 0.00 H new ATOM 826 N ILE A 55 18.932 -8.748 -7.376 1.00 0.00 N ATOM 827 CA ILE A 55 20.006 -9.606 -7.861 1.00 0.00 C ATOM 828 C ILE A 55 20.986 -9.945 -6.742 1.00 0.00 C ATOM 829 O ILE A 55 21.068 -11.092 -6.303 1.00 0.00 O ATOM 830 CB ILE A 55 20.777 -8.943 -9.019 1.00 0.00 C ATOM 831 CG1 ILE A 55 22.200 -9.497 -9.097 1.00 0.00 C ATOM 832 CG2 ILE A 55 20.798 -7.432 -8.844 1.00 0.00 C ATOM 833 CD1 ILE A 55 23.258 -8.505 -8.668 1.00 0.00 C ATOM 0 H ILE A 55 18.955 -8.570 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 55 19.539 -10.522 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 55 20.267 -9.173 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.270 -10.385 -8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.403 -9.813 -10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.346 -6.978 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.776 -7.053 -8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.287 -7.182 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.243 -8.966 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.215 -7.626 -9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.080 -8.208 -7.635 1.00 0.00 H new ATOM 845 N SER A 56 21.727 -8.941 -6.288 1.00 0.00 N ATOM 846 CA SER A 56 22.702 -9.133 -5.220 1.00 0.00 C ATOM 847 C SER A 56 22.166 -8.602 -3.894 1.00 0.00 C ATOM 848 O SER A 56 22.532 -9.091 -2.824 1.00 0.00 O ATOM 849 CB SER A 56 24.017 -8.433 -5.568 1.00 0.00 C ATOM 850 OG SER A 56 24.822 -9.248 -6.403 1.00 0.00 O ATOM 0 H SER A 56 21.672 -7.986 -6.642 1.00 0.00 H new ATOM 0 HA SER A 56 22.885 -10.203 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.808 -7.488 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 56 24.560 -8.196 -4.653 1.00 0.00 H new ATOM 0 HG SER A 56 25.656 -8.778 -6.613 1.00 0.00 H new ATOM 856 N GLU A 57 21.298 -7.598 -3.971 1.00 0.00 N ATOM 857 CA GLU A 57 20.712 -7.002 -2.777 1.00 0.00 C ATOM 858 C GLU A 57 20.230 -5.581 -3.057 1.00 0.00 C ATOM 859 O GLU A 57 21.032 -4.653 -3.161 1.00 0.00 O ATOM 860 CB GLU A 57 21.729 -6.991 -1.634 1.00 0.00 C ATOM 861 CG GLU A 57 21.668 -8.229 -0.754 1.00 0.00 C ATOM 862 CD GLU A 57 20.660 -9.247 -1.250 1.00 0.00 C ATOM 863 OE1 GLU A 57 19.445 -8.978 -1.144 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.085 -10.312 -1.744 1.00 0.00 O ATOM 0 H GLU A 57 20.985 -7.181 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 57 19.854 -7.607 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.732 -6.901 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 57 21.561 -6.108 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.655 -8.690 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.411 -7.935 0.264 1.00 0.00 H new ATOM 871 N ASN A 58 18.916 -5.419 -3.173 1.00 0.00 N ATOM 872 CA ASN A 58 18.322 -4.117 -3.437 1.00 0.00 C ATOM 873 C ASN A 58 16.812 -4.262 -3.531 1.00 0.00 C ATOM 874 O ASN A 58 16.225 -4.146 -4.606 1.00 0.00 O ATOM 875 CB ASN A 58 18.885 -3.513 -4.725 1.00 0.00 C ATOM 876 CG ASN A 58 19.314 -2.070 -4.546 1.00 0.00 C ATOM 877 OD1 ASN A 58 20.196 -1.580 -5.251 1.00 0.00 O ATOM 878 ND2 ASN A 58 18.690 -1.380 -3.598 1.00 0.00 N ATOM 0 H ASN A 58 18.241 -6.179 -3.087 1.00 0.00 H new ATOM 0 HA ASN A 58 18.569 -3.442 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.738 -4.104 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.131 -3.571 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.936 -0.404 -3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.964 -1.826 -3.037 1.00 0.00 H new ATOM 885 N PRO A 59 16.174 -4.533 -2.391 1.00 0.00 N ATOM 886 CA PRO A 59 14.744 -4.720 -2.293 1.00 0.00 C ATOM 887 C PRO A 59 13.968 -3.999 -3.380 1.00 0.00 C ATOM 888 O PRO A 59 14.255 -2.851 -3.720 1.00 0.00 O ATOM 889 CB PRO A 59 14.434 -4.147 -0.914 1.00 0.00 C ATOM 890 CG PRO A 59 15.707 -4.278 -0.121 1.00 0.00 C ATOM 891 CD PRO A 59 16.804 -4.687 -1.080 1.00 0.00 C ATOM 0 HA PRO A 59 14.452 -5.762 -2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.122 -3.105 -0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.619 -4.692 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.955 -3.334 0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.592 -5.021 0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.685 -4.053 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.129 -5.713 -0.907 1.00 0.00 H new ATOM 899 N CYS A 60 12.977 -4.695 -3.918 1.00 0.00 N ATOM 900 CA CYS A 60 12.137 -4.151 -4.970 1.00 0.00 C ATOM 901 C CYS A 60 10.960 -3.395 -4.385 1.00 0.00 C ATOM 902 O CYS A 60 10.497 -3.695 -3.286 1.00 0.00 O ATOM 903 CB CYS A 60 11.618 -5.272 -5.868 1.00 0.00 C ATOM 904 SG CYS A 60 9.934 -5.008 -6.475 1.00 0.00 S ATOM 0 H CYS A 60 12.735 -5.646 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 60 12.743 -3.463 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.288 -5.380 -6.721 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.651 -6.211 -5.316 1.00 0.00 H new ATOM 0 HG CYS A 60 9.582 -6.008 -7.228 1.00 0.00 H new ATOM 910 N ILE A 61 10.471 -2.425 -5.136 1.00 0.00 N ATOM 911 CA ILE A 61 9.331 -1.638 -4.701 1.00 0.00 C ATOM 912 C ILE A 61 8.211 -1.706 -5.719 1.00 0.00 C ATOM 913 O ILE A 61 8.451 -1.826 -6.920 1.00 0.00 O ATOM 914 CB ILE A 61 9.689 -0.162 -4.459 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.993 -0.050 -3.668 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.549 0.531 -3.722 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.142 -0.811 -4.291 1.00 0.00 C ATOM 0 H ILE A 61 10.844 -2.163 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 61 9.007 -2.071 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 61 9.835 0.330 -5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.268 1.001 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.828 -0.420 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.807 1.576 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.640 0.474 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.383 0.039 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.035 -0.688 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.887 -1.869 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.333 -0.425 -5.292 1.00 0.00 H new ATOM 929 N LYS A 62 6.989 -1.620 -5.231 1.00 0.00 N ATOM 930 CA LYS A 62 5.824 -1.664 -6.092 1.00 0.00 C ATOM 931 C LYS A 62 4.699 -0.833 -5.500 1.00 0.00 C ATOM 932 O LYS A 62 4.352 -0.982 -4.326 1.00 0.00 O ATOM 933 CB LYS A 62 5.364 -3.108 -6.296 1.00 0.00 C ATOM 934 CG LYS A 62 6.505 -4.086 -6.516 1.00 0.00 C ATOM 935 CD LYS A 62 6.192 -5.062 -7.639 1.00 0.00 C ATOM 936 CE LYS A 62 5.230 -6.147 -7.184 1.00 0.00 C ATOM 937 NZ LYS A 62 3.814 -5.801 -7.492 1.00 0.00 N ATOM 0 H LYS A 62 6.777 -1.519 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 62 6.095 -1.246 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.789 -3.424 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.692 -3.148 -7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.416 -3.537 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.696 -4.638 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.760 -4.522 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.116 -5.519 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.488 -7.088 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.340 -6.303 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.315 -5.564 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.788 -4.984 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.349 -6.613 -7.946 1.00 0.00 H new ATOM 951 N HIS A 63 4.136 0.048 -6.314 1.00 0.00 N ATOM 952 CA HIS A 63 3.054 0.900 -5.865 1.00 0.00 C ATOM 953 C HIS A 63 1.707 0.257 -6.185 1.00 0.00 C ATOM 954 O HIS A 63 1.268 0.252 -7.335 1.00 0.00 O ATOM 955 CB HIS A 63 3.150 2.273 -6.530 1.00 0.00 C ATOM 956 CG HIS A 63 4.558 2.721 -6.776 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.409 3.154 -5.784 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.262 2.795 -7.933 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.578 3.474 -6.356 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.540 3.273 -7.660 1.00 0.00 N ATOM 0 H HIS A 63 4.412 0.189 -7.286 1.00 0.00 H new ATOM 0 HA HIS A 63 3.136 1.026 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.615 2.246 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.648 3.008 -5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.890 2.526 -8.910 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.438 3.847 -5.820 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.292 3.435 -8.330 1.00 0.00 H new ATOM 968 N TYR A 64 1.061 -0.289 -5.163 1.00 0.00 N ATOM 969 CA TYR A 64 -0.231 -0.943 -5.332 1.00 0.00 C ATOM 970 C TYR A 64 -1.369 0.026 -5.056 1.00 0.00 C ATOM 971 O TYR A 64 -1.503 0.533 -3.944 1.00 0.00 O ATOM 972 CB TYR A 64 -0.341 -2.143 -4.392 1.00 0.00 C ATOM 973 CG TYR A 64 0.819 -3.094 -4.498 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.668 -3.058 -5.590 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.060 -4.027 -3.504 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.733 -3.931 -5.692 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.121 -4.907 -3.595 1.00 0.00 C ATOM 978 CZ TYR A 64 2.955 -4.855 -4.691 1.00 0.00 C ATOM 979 OH TYR A 64 4.013 -5.728 -4.789 1.00 0.00 O ATOM 0 H TYR A 64 1.412 -0.292 -4.205 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.305 -1.284 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.415 -1.785 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.264 -2.681 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.495 -2.336 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.408 -4.068 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.388 -3.891 -6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.296 -5.631 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 64 3.691 -6.598 -5.104 1.00 0.00 H new ATOM 989 N HIS A 65 -2.197 0.278 -6.063 1.00 0.00 N ATOM 990 CA HIS A 65 -3.319 1.183 -5.887 1.00 0.00 C ATOM 991 C HIS A 65 -4.568 0.434 -5.483 1.00 0.00 C ATOM 992 O HIS A 65 -5.018 -0.473 -6.183 1.00 0.00 O ATOM 993 CB HIS A 65 -3.608 1.988 -7.150 1.00 0.00 C ATOM 994 CG HIS A 65 -4.250 3.298 -6.854 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.680 4.276 -6.075 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.461 3.768 -7.221 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.551 5.286 -5.991 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.648 5.030 -6.672 1.00 0.00 N ATOM 0 H HIS A 65 -2.113 -0.126 -6.996 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.035 1.872 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.677 2.157 -7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.257 1.408 -7.806 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.172 3.245 -7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.377 6.196 -5.436 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.465 5.632 -6.775 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.140 0.832 -4.358 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.355 0.203 -3.882 1.00 0.00 C ATOM 1008 C ILE A 66 -7.517 0.605 -4.774 1.00 0.00 C ATOM 1009 O ILE A 66 -8.000 1.733 -4.706 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.668 0.601 -2.428 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.428 1.194 -1.760 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.167 -0.601 -1.643 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.149 0.458 -2.097 1.00 0.00 C ATOM 0 H ILE A 66 -4.784 1.581 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.209 -0.877 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.453 1.357 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.327 2.237 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.568 1.186 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.383 -0.302 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.074 -0.988 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.402 -1.377 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.311 0.934 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.230 -0.579 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.985 0.489 -3.174 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.957 -0.321 -5.614 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.058 -0.058 -6.526 1.00 0.00 C ATOM 1027 C LYS A 67 -10.376 -0.011 -5.761 1.00 0.00 C ATOM 1028 O LYS A 67 -10.449 -0.491 -4.631 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.116 -1.136 -7.610 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.251 -0.942 -8.603 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.873 0.045 -9.697 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.406 1.370 -9.116 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.945 1.368 -8.833 1.00 0.00 N ATOM 0 H LYS A 67 -7.567 -1.261 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.894 0.909 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.170 -1.147 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.223 -2.111 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.512 -1.901 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.137 -0.584 -8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.083 -0.381 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.731 0.214 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.640 2.175 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.954 1.576 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.790 1.436 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.524 0.486 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.499 2.180 -9.305 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.408 0.561 -6.387 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.734 0.676 -5.770 1.00 0.00 C ATOM 1049 C GLU A 68 -13.756 -0.153 -6.540 1.00 0.00 C ATOM 1050 O GLU A 68 -13.776 -0.140 -7.771 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.187 2.140 -5.762 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.533 2.989 -4.684 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.045 3.142 -4.888 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.649 4.017 -5.685 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.276 2.391 -4.252 1.00 0.00 O ATOM 0 H GLU A 68 -11.351 0.954 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.665 0.306 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.972 2.580 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.268 2.173 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.997 3.975 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.718 2.537 -3.709 1.00 0.00 H new ATOM 1062 N THR A 69 -14.607 -0.869 -5.811 1.00 0.00 N ATOM 1063 CA THR A 69 -15.631 -1.695 -6.434 1.00 0.00 C ATOM 1064 C THR A 69 -16.968 -1.509 -5.731 1.00 0.00 C ATOM 1065 O THR A 69 -17.039 -1.522 -4.503 1.00 0.00 O ATOM 1066 CB THR A 69 -15.220 -3.168 -6.398 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.051 -3.898 -5.512 1.00 0.00 O ATOM 1068 CG2 THR A 69 -13.787 -3.380 -5.962 1.00 0.00 C ATOM 0 H THR A 69 -14.606 -0.893 -4.791 1.00 0.00 H new ATOM 0 HA THR A 69 -15.738 -1.384 -7.473 1.00 0.00 H new ATOM 0 HB THR A 69 -15.326 -3.523 -7.423 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.002 -4.852 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.562 -4.446 -5.959 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.117 -2.870 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.648 -2.977 -4.959 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.026 -1.335 -6.513 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.360 -1.150 -5.954 1.00 0.00 C ATOM 1078 C ASN A 70 -19.747 -2.342 -5.087 1.00 0.00 C ATOM 1079 O ASN A 70 -20.776 -2.977 -5.313 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.385 -0.962 -7.074 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.925 -1.565 -8.387 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.458 -2.704 -8.430 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.055 -0.803 -9.467 1.00 0.00 N ATOM 0 H ASN A 70 -17.987 -1.318 -7.532 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.350 -0.255 -5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.329 -1.419 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.576 0.102 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.763 -1.156 -10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.447 0.135 -9.385 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.911 -2.645 -4.098 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.166 -3.765 -3.204 1.00 0.00 C ATOM 1092 C ASP A 71 -19.154 -3.318 -1.754 1.00 0.00 C ATOM 1093 O ASP A 71 -19.188 -4.131 -0.831 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.133 -4.861 -3.429 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.559 -5.852 -4.494 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -19.722 -5.775 -4.946 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -17.731 -6.705 -4.878 1.00 0.00 O ATOM 0 H ASP A 71 -18.053 -2.130 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.157 -4.161 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.185 -4.408 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.961 -5.391 -2.492 1.00 0.00 H new ATOM 1102 N SER A 72 -19.116 -2.016 -1.578 1.00 0.00 N ATOM 1103 CA SER A 72 -19.108 -1.410 -0.249 1.00 0.00 C ATOM 1104 C SER A 72 -19.919 -2.251 0.737 1.00 0.00 C ATOM 1105 O SER A 72 -21.024 -2.692 0.424 1.00 0.00 O ATOM 1106 CB SER A 72 -19.676 0.008 -0.312 1.00 0.00 C ATOM 1107 OG SER A 72 -21.076 -0.012 -0.531 1.00 0.00 O ATOM 0 H SER A 72 -19.090 -1.343 -2.344 1.00 0.00 H new ATOM 0 HA SER A 72 -18.076 -1.367 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 72 -19.458 0.532 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 72 -19.188 0.563 -1.113 1.00 0.00 H new ATOM 0 HG SER A 72 -21.415 0.907 -0.565 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.379 -2.483 1.946 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.064 -1.971 2.348 1.00 0.00 C ATOM 1115 C PRO A 73 -16.963 -2.410 1.392 1.00 0.00 C ATOM 1116 O PRO A 73 -15.954 -1.724 1.231 1.00 0.00 O ATOM 1117 CB PRO A 73 -17.840 -2.577 3.741 1.00 0.00 C ATOM 1118 CG PRO A 73 -18.839 -3.680 3.857 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.009 -3.267 3.015 1.00 0.00 C ATOM 0 HA PRO A 73 -18.035 -0.881 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.823 -2.955 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.985 -1.831 4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.421 -4.624 3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.138 -3.828 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.548 -4.129 2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.727 -2.674 3.582 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.172 -3.553 0.749 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.206 -4.077 -0.203 1.00 0.00 C ATOM 1129 C LYS A 74 -16.100 -3.156 -1.407 1.00 0.00 C ATOM 1130 O LYS A 74 -16.827 -3.306 -2.384 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.609 -5.485 -0.645 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.064 -6.582 0.255 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.183 -7.328 0.962 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.977 -8.189 -0.006 1.00 0.00 C ATOM 1135 NZ LYS A 74 -17.985 -9.621 0.402 1.00 0.00 N ATOM 0 H LYS A 74 -18.002 -4.133 0.871 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.231 -4.129 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.697 -5.552 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.257 -5.653 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.476 -7.282 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.391 -6.147 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.763 -7.955 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.849 -6.614 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.002 -7.822 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.551 -8.099 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.537 -10.174 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.009 -9.979 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.415 -9.711 1.345 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.200 -2.189 -1.321 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.015 -1.235 -2.396 1.00 0.00 C ATOM 1151 C ARG A 75 -13.594 -1.253 -2.937 1.00 0.00 C ATOM 1152 O ARG A 75 -13.371 -1.476 -4.127 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.327 0.170 -1.904 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.800 0.507 -1.968 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.111 1.804 -1.238 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.479 2.954 -1.877 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.600 4.201 -1.434 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.324 4.455 -0.353 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -15.994 5.195 -2.069 1.00 0.00 N ATOM 0 H ARG A 75 -14.588 -2.047 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.695 -1.522 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.981 0.274 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.769 0.890 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.109 0.592 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.379 -0.306 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.190 1.953 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.770 1.730 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.913 2.791 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.789 3.693 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.416 5.413 -0.014 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.434 5.003 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.088 6.151 -1.727 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.637 -0.962 -2.066 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.247 -0.887 -2.474 1.00 0.00 C ATOM 1175 C TYR A 76 -10.554 -2.237 -2.476 1.00 0.00 C ATOM 1176 O TYR A 76 -10.861 -3.117 -1.675 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.499 0.105 -1.592 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.325 1.323 -1.285 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.553 1.506 -1.901 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.889 2.281 -0.387 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.328 2.609 -1.635 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.657 3.395 -0.111 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.877 3.556 -0.738 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.647 4.664 -0.467 1.00 0.00 O ATOM 0 H TYR A 76 -12.800 -0.775 -1.077 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.234 -0.538 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.213 -0.383 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.577 0.408 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.908 0.767 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.936 2.156 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.283 2.734 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.306 4.136 0.591 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.186 5.231 0.186 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.613 -2.375 -3.402 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.842 -3.607 -3.566 1.00 0.00 C ATOM 1196 C TYR A 77 -7.645 -3.373 -4.482 1.00 0.00 C ATOM 1197 O TYR A 77 -7.658 -2.467 -5.310 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.719 -4.699 -4.170 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.028 -4.457 -5.627 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.854 -3.407 -6.007 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.480 -5.257 -6.623 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.134 -3.163 -7.334 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.755 -5.013 -7.957 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.582 -3.967 -8.306 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.856 -3.725 -9.633 1.00 0.00 O ATOM 0 H TYR A 77 -9.361 -1.638 -4.061 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.489 -3.918 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.219 -5.662 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.652 -4.761 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.285 -2.770 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.832 -6.078 -6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.783 -2.345 -7.610 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.323 -5.640 -8.723 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.387 -4.382 -10.189 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.620 -4.206 -4.348 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.432 -4.087 -5.186 1.00 0.00 C ATOM 1217 C VAL A 78 -5.120 -5.407 -5.869 1.00 0.00 C ATOM 1218 O VAL A 78 -3.972 -5.851 -5.895 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.201 -3.651 -4.378 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.351 -2.215 -3.900 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.975 -4.592 -3.205 1.00 0.00 C ATOM 0 H VAL A 78 -6.587 -4.968 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.653 -3.323 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.328 -3.699 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.468 -1.927 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.459 -1.555 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.234 -2.133 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.099 -4.269 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.849 -4.578 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.815 -5.604 -3.576 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.152 -6.032 -6.411 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.005 -7.308 -7.088 1.00 0.00 C ATOM 1233 C ALA A 79 -7.363 -7.945 -7.299 1.00 0.00 C ATOM 1234 O ALA A 79 -7.564 -9.109 -6.952 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.132 -8.242 -6.262 1.00 0.00 C ATOM 0 H ALA A 79 -7.106 -5.673 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.533 -7.135 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.029 -9.196 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.147 -7.794 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.594 -8.406 -5.288 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.312 -7.182 -7.829 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.652 -7.716 -8.017 1.00 0.00 C ATOM 1243 C GLU A 80 -9.914 -8.664 -6.866 1.00 0.00 C ATOM 1244 O GLU A 80 -10.646 -9.647 -6.982 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.755 -8.447 -9.356 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.659 -9.475 -9.566 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.168 -10.899 -9.475 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.959 -11.190 -8.555 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.774 -11.725 -10.326 1.00 0.00 O ATOM 0 H GLU A 80 -8.183 -6.216 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.391 -6.915 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.724 -8.942 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.718 -7.717 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.202 -9.319 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.878 -9.324 -8.821 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.240 -8.363 -5.760 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.294 -9.164 -4.560 1.00 0.00 C ATOM 1258 C LYS A 81 -9.862 -8.398 -3.373 1.00 0.00 C ATOM 1259 O LYS A 81 -10.145 -7.203 -3.454 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.872 -9.608 -4.241 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.010 -8.498 -3.663 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.881 -9.048 -2.807 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.934 -9.926 -3.608 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.485 -11.294 -3.815 1.00 0.00 N ATOM 0 H LYS A 81 -8.636 -7.545 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.956 -10.012 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.908 -10.436 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.404 -9.985 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.593 -7.901 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.630 -7.832 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.324 -8.221 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.299 -9.625 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.740 -9.463 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.977 -9.995 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.714 -11.990 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.187 -11.501 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.939 -11.348 -4.749 1.00 0.00 H new ATOM 1278 N TYR A 82 -10.008 -9.113 -2.268 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.525 -8.551 -1.028 1.00 0.00 C ATOM 1280 C TYR A 82 -10.734 -7.051 -1.132 1.00 0.00 C ATOM 1281 O TYR A 82 -9.928 -6.270 -0.627 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.570 -8.830 0.135 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.695 -10.051 -0.041 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.009 -10.285 -1.223 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.554 -10.964 0.993 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.206 -11.398 -1.369 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.755 -12.078 0.857 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.081 -12.292 -0.327 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.281 -13.403 -0.469 1.00 0.00 O ATOM 0 H TYR A 82 -9.771 -10.103 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.486 -9.031 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.930 -7.959 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.155 -8.948 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.104 -9.586 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.080 -10.799 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.678 -11.568 -2.296 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.657 -12.779 1.672 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.302 -13.929 0.358 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.824 -6.645 -1.760 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.125 -5.232 -1.881 1.00 0.00 C ATOM 1301 C VAL A 83 -12.796 -4.747 -0.606 1.00 0.00 C ATOM 1302 O VAL A 83 -13.855 -5.245 -0.226 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.026 -4.940 -3.089 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.470 -5.611 -4.333 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.448 -5.392 -2.814 1.00 0.00 C ATOM 0 H VAL A 83 -12.508 -7.268 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.186 -4.700 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.044 -3.864 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.118 -5.396 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.469 -5.230 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.424 -6.689 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.072 -5.177 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.457 -6.464 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.837 -4.860 -1.946 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.163 -3.796 0.070 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.695 -3.276 1.323 1.00 0.00 C ATOM 1317 C PHE A 84 -13.275 -1.880 1.146 1.00 0.00 C ATOM 1318 O PHE A 84 -13.412 -1.388 0.027 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.598 -3.263 2.390 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.850 -4.563 2.488 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.868 -4.884 1.564 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.134 -5.467 3.500 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.184 -6.083 1.647 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.452 -6.667 3.588 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.476 -6.976 2.660 1.00 0.00 C ATOM 0 H PHE A 84 -11.285 -3.371 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.504 -3.932 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.893 -2.462 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.044 -3.035 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.634 -4.190 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.896 -5.232 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.422 -6.321 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.682 -7.362 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.943 -7.913 2.726 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.621 -1.252 2.263 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.195 0.084 2.241 1.00 0.00 C ATOM 1337 C ASP A 85 -13.128 1.141 2.498 1.00 0.00 C ATOM 1338 O ASP A 85 -13.421 2.336 2.515 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.308 0.202 3.284 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.530 1.632 3.733 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.928 2.465 2.892 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.304 1.920 4.928 1.00 0.00 O ATOM 0 H ASP A 85 -13.513 -1.649 3.196 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.616 0.253 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.235 -0.193 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.058 -0.413 4.149 1.00 0.00 H new ATOM 1347 N SER A 86 -11.889 0.699 2.697 1.00 0.00 N ATOM 1348 CA SER A 86 -10.795 1.628 2.950 1.00 0.00 C ATOM 1349 C SER A 86 -9.434 0.933 2.922 1.00 0.00 C ATOM 1350 O SER A 86 -9.300 -0.265 3.233 1.00 0.00 O ATOM 1351 CB SER A 86 -10.998 2.337 4.292 1.00 0.00 C ATOM 1352 OG SER A 86 -12.329 2.188 4.754 1.00 0.00 O ATOM 0 H SER A 86 -11.621 -0.285 2.688 1.00 0.00 H new ATOM 0 HA SER A 86 -10.803 2.366 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.307 1.930 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.764 3.396 4.186 1.00 0.00 H new ATOM 0 HG SER A 86 -12.933 2.709 4.185 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.421 1.708 2.549 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.060 1.209 2.475 1.00 0.00 C ATOM 1360 C ILE A 87 -6.647 0.570 3.789 1.00 0.00 C ATOM 1361 O ILE A 87 -6.061 -0.505 3.806 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.061 2.335 2.153 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.180 2.784 0.697 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.643 1.876 2.450 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.398 2.246 -0.021 1.00 0.00 C ATOM 0 H ILE A 87 -8.522 2.690 2.292 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.041 0.469 1.675 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.299 3.190 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.205 3.873 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.286 2.470 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.944 2.680 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.559 1.614 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.408 1.004 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.406 2.612 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.367 1.156 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.300 2.581 0.491 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.948 1.225 4.918 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.590 0.705 6.234 1.00 0.00 C ATOM 1379 C PRO A 88 -7.081 -0.719 6.422 1.00 0.00 C ATOM 1380 O PRO A 88 -6.312 -1.599 6.805 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.275 1.660 7.208 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.478 2.920 6.434 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.651 2.514 4.995 1.00 0.00 C ATOM 0 HA PRO A 88 -5.511 0.659 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.224 1.254 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.659 1.833 8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.355 3.459 6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.624 3.588 6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.703 2.414 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.219 3.249 4.315 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.348 -0.965 6.104 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.876 -2.314 6.201 1.00 0.00 C ATOM 1393 C LEU A 89 -8.222 -3.134 5.108 1.00 0.00 C ATOM 1394 O LEU A 89 -7.667 -4.209 5.358 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.399 -2.347 6.049 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.100 -0.998 6.168 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.073 -0.276 4.834 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.532 -1.186 6.645 1.00 0.00 C ATOM 0 H LEU A 89 -9.014 -0.262 5.784 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.654 -2.721 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.640 -2.778 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.808 -3.017 6.805 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.571 -0.391 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.576 0.686 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.039 -0.116 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.584 -0.879 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.019 -0.214 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.075 -1.806 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.530 -1.672 7.621 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.248 -2.586 3.891 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.615 -3.247 2.764 1.00 0.00 C ATOM 1412 C LEU A 90 -6.159 -3.532 3.107 1.00 0.00 C ATOM 1413 O LEU A 90 -5.612 -4.576 2.750 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.707 -2.373 1.514 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.371 -3.082 0.204 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.407 -2.753 -0.857 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.976 -2.696 -0.266 1.00 0.00 C ATOM 0 H LEU A 90 -8.696 -1.697 3.669 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.129 -4.186 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.718 -1.972 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.034 -1.524 1.633 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.388 -4.158 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.153 -3.266 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.390 -3.080 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.422 -1.677 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.752 -3.210 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.931 -1.619 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.245 -2.983 0.490 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.551 -2.598 3.832 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.170 -2.734 4.269 1.00 0.00 C ATOM 1431 C ILE A 91 -4.102 -3.651 5.475 1.00 0.00 C ATOM 1432 O ILE A 91 -3.377 -4.644 5.479 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.548 -1.374 4.646 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.637 -0.404 3.473 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.096 -1.560 5.064 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.889 -0.885 2.260 1.00 0.00 C ATOM 0 H ILE A 91 -6.000 -1.732 4.130 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.605 -3.152 3.436 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.106 -0.957 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.684 -0.252 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.241 0.565 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.667 -0.594 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.048 -2.226 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.532 -1.994 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.988 -0.154 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.835 -1.010 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.301 -1.840 1.934 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.882 -3.315 6.496 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.927 -4.113 7.706 1.00 0.00 C ATOM 1450 C GLN A 92 -5.180 -5.566 7.348 1.00 0.00 C ATOM 1451 O GLN A 92 -4.656 -6.473 7.995 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.006 -3.594 8.655 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.635 -2.280 9.322 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.579 -1.515 8.546 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.858 -0.465 7.966 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.357 -2.036 8.531 1.00 0.00 N ATOM 0 H GLN A 92 -5.490 -2.496 6.506 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.968 -4.036 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.936 -3.463 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.196 -4.343 9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.527 -1.662 9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.269 -2.478 10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.168 -2.908 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.607 -1.564 8.026 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.961 -5.786 6.293 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.234 -7.138 5.849 1.00 0.00 C ATOM 1467 C TYR A 93 -4.964 -7.739 5.262 1.00 0.00 C ATOM 1468 O TYR A 93 -4.639 -8.896 5.525 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.364 -7.158 4.824 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.942 -7.664 3.467 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.619 -9.001 3.265 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.874 -6.803 2.384 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.241 -9.460 2.019 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.497 -7.252 1.138 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.181 -8.583 0.958 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.810 -9.035 -0.285 1.00 0.00 O ATOM 0 H TYR A 93 -6.407 -5.053 5.741 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.554 -7.735 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.173 -7.784 5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.764 -6.150 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.664 -9.691 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.121 -5.760 2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.994 -10.502 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.449 -6.566 0.306 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.136 -9.951 -0.411 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.221 -6.937 4.494 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.970 -7.407 3.921 1.00 0.00 C ATOM 1488 C HIS A 94 -1.919 -7.503 5.016 1.00 0.00 C ATOM 1489 O HIS A 94 -1.109 -8.429 5.045 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.469 -6.458 2.836 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.338 -6.384 1.625 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.519 -7.443 0.767 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.054 -5.358 1.112 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.306 -7.074 -0.225 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.647 -5.813 -0.039 1.00 0.00 N ATOM 0 H HIS A 94 -4.464 -5.974 4.261 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.146 -8.385 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.375 -5.459 3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.470 -6.770 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.143 -4.366 1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.618 -7.698 -1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.252 -5.266 -0.651 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.947 -6.526 5.918 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.007 -6.473 7.028 1.00 0.00 C ATOM 1506 C GLN A 95 -0.932 -7.821 7.738 1.00 0.00 C ATOM 1507 O GLN A 95 0.150 -8.305 8.073 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.438 -5.403 8.037 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.765 -4.060 7.830 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.615 -3.717 6.368 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.321 -4.257 5.520 1.00 0.00 O ATOM 1512 NE2 GLN A 95 0.308 -2.817 6.063 1.00 0.00 N ATOM 0 H GLN A 95 -2.616 -5.756 5.899 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.025 -6.225 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.518 -5.271 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.219 -5.757 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.347 -3.283 8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.218 -4.071 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.872 -2.394 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.455 -2.547 5.091 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.101 -8.407 7.986 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.198 -9.680 8.680 1.00 0.00 C ATOM 1523 C TYR A 96 -2.494 -10.840 7.733 1.00 0.00 C ATOM 1524 O TYR A 96 -2.174 -11.988 8.037 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.276 -9.583 9.752 1.00 0.00 C ATOM 1526 CG TYR A 96 -4.656 -9.566 9.179 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -5.030 -10.529 8.275 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -5.573 -8.589 9.530 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -6.291 -10.537 7.722 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -6.840 -8.581 8.986 1.00 0.00 C ATOM 1531 CZ TYR A 96 -7.197 -9.560 8.080 1.00 0.00 C ATOM 1532 OH TYR A 96 -8.458 -9.560 7.531 1.00 0.00 O ATOM 0 H TYR A 96 -3.001 -8.012 7.712 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.231 -9.888 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.181 -10.427 10.435 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.119 -8.678 10.339 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.322 -11.294 7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.292 -7.824 10.239 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.569 -11.303 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.548 -7.815 9.266 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.971 -8.806 7.890 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.111 -10.547 6.594 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.443 -11.593 5.632 1.00 0.00 C ATOM 1544 C ASN A 97 -2.562 -11.513 4.390 1.00 0.00 C ATOM 1545 O ASN A 97 -2.286 -10.428 3.878 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.917 -11.504 5.233 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.700 -12.732 5.655 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.368 -13.367 4.839 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -5.620 -13.070 6.937 1.00 0.00 N ATOM 0 H ASN A 97 -3.389 -9.606 6.315 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.259 -12.553 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.362 -10.618 5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.992 -11.381 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.125 -13.886 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.053 -12.513 7.577 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.128 -12.675 3.910 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.286 -12.727 2.729 1.00 0.00 C ATOM 1558 C GLY A 98 -2.052 -12.407 1.462 1.00 0.00 C ATOM 1559 O GLY A 98 -2.391 -13.304 0.690 1.00 0.00 O ATOM 0 H GLY A 98 -2.345 -13.583 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.463 -12.021 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.845 -13.720 2.643 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.329 -11.125 1.250 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.061 -10.710 0.069 1.00 0.00 C ATOM 1565 C GLY A 99 -2.211 -10.731 -1.187 1.00 0.00 C ATOM 1566 O GLY A 99 -2.341 -9.858 -2.046 1.00 0.00 O ATOM 0 H GLY A 99 -2.059 -10.366 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.921 -11.365 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.449 -9.703 0.223 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.339 -11.729 -1.297 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.480 -11.838 -2.464 1.00 0.00 C ATOM 1572 C GLY A 100 0.515 -10.698 -2.564 1.00 0.00 C ATOM 1573 O GLY A 100 1.703 -10.921 -2.795 1.00 0.00 O ATOM 0 H GLY A 100 -1.212 -12.463 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.060 -12.784 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.096 -11.858 -3.363 1.00 0.00 H new ATOM 1577 N LEU A 101 0.027 -9.474 -2.388 1.00 0.00 N ATOM 1578 CA LEU A 101 0.876 -8.288 -2.456 1.00 0.00 C ATOM 1579 C LEU A 101 2.339 -8.641 -2.200 1.00 0.00 C ATOM 1580 O LEU A 101 2.640 -9.572 -1.454 1.00 0.00 O ATOM 1581 CB LEU A 101 0.407 -7.252 -1.434 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.623 -6.248 -1.950 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.992 -6.900 -2.066 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.682 -5.036 -1.032 1.00 0.00 C ATOM 0 H LEU A 101 -0.955 -9.277 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 101 0.796 -7.872 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.018 -7.776 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.276 -6.703 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.319 -5.916 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.713 -6.170 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.938 -7.739 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.308 -7.259 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.419 -4.328 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.965 -5.353 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.297 -4.557 -0.998 1.00 0.00 H new ATOM 1596 N VAL A 102 3.245 -7.887 -2.820 1.00 0.00 N ATOM 1597 CA VAL A 102 4.676 -8.119 -2.652 1.00 0.00 C ATOM 1598 C VAL A 102 4.945 -8.968 -1.418 1.00 0.00 C ATOM 1599 O VAL A 102 5.711 -9.931 -1.466 1.00 0.00 O ATOM 1600 CB VAL A 102 5.451 -6.793 -2.521 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.550 -6.374 -1.061 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.834 -6.919 -3.145 1.00 0.00 C ATOM 0 H VAL A 102 3.013 -7.112 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 102 5.019 -8.645 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 102 4.905 -6.018 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.100 -5.436 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.548 -6.240 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.072 -7.146 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.367 -5.973 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.392 -7.706 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.735 -7.168 -4.202 1.00 0.00 H new ATOM 1612 N THR A 103 4.306 -8.602 -0.315 1.00 0.00 N ATOM 1613 CA THR A 103 4.463 -9.324 0.939 1.00 0.00 C ATOM 1614 C THR A 103 3.263 -9.079 1.844 1.00 0.00 C ATOM 1615 O THR A 103 3.403 -8.948 3.060 1.00 0.00 O ATOM 1616 CB THR A 103 5.749 -8.891 1.646 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.831 -7.478 1.716 1.00 0.00 O ATOM 1618 CG2 THR A 103 7.004 -9.391 0.964 1.00 0.00 C ATOM 0 H THR A 103 3.671 -7.805 -0.264 1.00 0.00 H new ATOM 0 HA THR A 103 4.526 -10.390 0.718 1.00 0.00 H new ATOM 0 HB THR A 103 5.695 -9.333 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.938 -7.092 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.879 -9.049 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.995 -10.481 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.043 -9.004 -0.054 1.00 0.00 H new ATOM 1626 N ARG A 104 2.082 -9.012 1.237 1.00 0.00 N ATOM 1627 CA ARG A 104 0.855 -8.775 1.982 1.00 0.00 C ATOM 1628 C ARG A 104 1.087 -7.759 3.091 1.00 0.00 C ATOM 1629 O ARG A 104 0.856 -8.043 4.266 1.00 0.00 O ATOM 1630 CB ARG A 104 0.332 -10.083 2.575 1.00 0.00 C ATOM 1631 CG ARG A 104 1.323 -10.769 3.501 1.00 0.00 C ATOM 1632 CD ARG A 104 0.619 -11.431 4.674 1.00 0.00 C ATOM 1633 NE ARG A 104 1.475 -11.505 5.854 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.871 -10.440 6.545 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.485 -9.226 6.174 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.650 -10.589 7.608 1.00 0.00 N ATOM 0 H ARG A 104 1.951 -9.119 0.231 1.00 0.00 H new ATOM 0 HA ARG A 104 0.111 -8.375 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.587 -9.881 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.075 -10.763 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.886 -11.517 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.043 -10.039 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.285 -10.872 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.306 -12.436 4.389 1.00 0.00 H new ATOM 0 HE ARG A 104 1.787 -12.425 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.884 -9.109 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.789 -8.410 6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.946 -11.521 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.953 -9.771 8.137 1.00 0.00 H new ATOM 1650 N LEU A 105 1.552 -6.573 2.712 1.00 0.00 N ATOM 1651 CA LEU A 105 1.817 -5.521 3.681 1.00 0.00 C ATOM 1652 C LEU A 105 2.705 -6.044 4.800 1.00 0.00 C ATOM 1653 O LEU A 105 2.242 -6.287 5.915 1.00 0.00 O ATOM 1654 CB LEU A 105 0.508 -4.987 4.255 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.401 -4.299 3.245 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.108 -2.909 2.983 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.461 -5.079 1.949 1.00 0.00 C ATOM 0 H LEU A 105 1.752 -6.319 1.745 1.00 0.00 H new ATOM 0 HA LEU A 105 2.335 -4.707 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.038 -5.815 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.739 -4.282 5.054 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.409 -4.251 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.541 -2.414 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.113 -2.342 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.121 -2.962 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.117 -4.566 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.540 -5.155 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.849 -6.079 2.144 1.00 0.00 H new ATOM 1669 N ARG A 106 3.981 -6.225 4.489 1.00 0.00 N ATOM 1670 CA ARG A 106 4.937 -6.735 5.464 1.00 0.00 C ATOM 1671 C ARG A 106 5.231 -5.705 6.549 1.00 0.00 C ATOM 1672 O ARG A 106 5.388 -6.055 7.719 1.00 0.00 O ATOM 1673 CB ARG A 106 6.234 -7.151 4.771 1.00 0.00 C ATOM 1674 CG ARG A 106 6.964 -8.281 5.476 1.00 0.00 C ATOM 1675 CD ARG A 106 7.154 -7.986 6.955 1.00 0.00 C ATOM 1676 NE ARG A 106 7.988 -6.808 7.174 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.261 -6.314 8.378 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.767 -6.894 9.463 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.027 -5.239 8.497 1.00 0.00 N ATOM 0 H ARG A 106 4.378 -6.027 3.571 1.00 0.00 H new ATOM 0 HA ARG A 106 4.490 -7.608 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.008 -7.457 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.895 -6.287 4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.402 -9.208 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.936 -8.436 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.181 -7.834 7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.610 -8.849 7.441 1.00 0.00 H new ATOM 0 HE ARG A 106 8.383 -6.338 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.176 -7.721 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.978 -6.513 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.408 -4.790 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.236 -4.861 9.421 1.00 0.00 H new ATOM 1693 N TYR A 107 5.311 -4.434 6.164 1.00 0.00 N ATOM 1694 CA TYR A 107 5.592 -3.374 7.126 1.00 0.00 C ATOM 1695 C TYR A 107 5.329 -1.989 6.544 1.00 0.00 C ATOM 1696 O TYR A 107 6.156 -1.441 5.813 1.00 0.00 O ATOM 1697 CB TYR A 107 7.045 -3.459 7.598 1.00 0.00 C ATOM 1698 CG TYR A 107 7.435 -2.335 8.529 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.729 -2.110 9.702 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.502 -1.495 8.233 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.075 -1.082 10.556 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.855 -0.466 9.083 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.138 -0.262 10.243 1.00 0.00 C ATOM 1704 OH TYR A 107 8.485 0.763 11.092 1.00 0.00 O ATOM 0 H TYR A 107 5.187 -4.116 5.203 1.00 0.00 H new ATOM 0 HA TYR A 107 4.918 -3.519 7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.201 -4.412 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.704 -3.448 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.895 -2.750 9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.064 -1.650 7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.515 -0.921 11.465 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.689 0.176 8.841 1.00 0.00 H new ATOM 0 HH TYR A 107 9.256 1.245 10.726 1.00 0.00 H new ATOM 1714 N PRO A 108 4.167 -1.400 6.868 1.00 0.00 N ATOM 1715 CA PRO A 108 3.796 -0.069 6.392 1.00 0.00 C ATOM 1716 C PRO A 108 4.882 0.970 6.670 1.00 0.00 C ATOM 1717 O PRO A 108 5.157 1.297 7.824 1.00 0.00 O ATOM 1718 CB PRO A 108 2.530 0.271 7.197 1.00 0.00 C ATOM 1719 CG PRO A 108 2.440 -0.765 8.268 1.00 0.00 C ATOM 1720 CD PRO A 108 3.124 -1.979 7.720 1.00 0.00 C ATOM 0 HA PRO A 108 3.648 -0.059 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.595 1.271 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.645 0.254 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.923 -0.424 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.401 -0.981 8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.545 -2.599 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.439 -2.608 7.152 1.00 0.00 H new ATOM 1728 N VAL A 109 5.482 1.500 5.609 1.00 0.00 N ATOM 1729 CA VAL A 109 6.516 2.515 5.742 1.00 0.00 C ATOM 1730 C VAL A 109 5.873 3.873 5.932 1.00 0.00 C ATOM 1731 O VAL A 109 4.920 4.209 5.237 1.00 0.00 O ATOM 1732 CB VAL A 109 7.421 2.573 4.499 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.706 1.801 4.730 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.681 2.051 3.275 1.00 0.00 C ATOM 0 H VAL A 109 5.268 1.241 4.646 1.00 0.00 H new ATOM 0 HA VAL A 109 7.126 2.251 6.606 1.00 0.00 H new ATOM 0 HB VAL A 109 7.687 3.614 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.329 1.857 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.243 2.232 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.471 0.758 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.336 2.100 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.380 1.017 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.796 2.662 3.097 1.00 0.00 H new ATOM 1744 N CYS A 110 6.384 4.654 6.866 1.00 0.00 N ATOM 1745 CA CYS A 110 5.829 5.972 7.115 1.00 0.00 C ATOM 1746 C CYS A 110 6.910 7.036 7.008 1.00 0.00 C ATOM 1747 O CYS A 110 7.539 7.410 7.998 1.00 0.00 O ATOM 1748 CB CYS A 110 5.157 6.015 8.489 1.00 0.00 C ATOM 1749 SG CYS A 110 5.448 7.541 9.412 1.00 0.00 S ATOM 0 H CYS A 110 7.174 4.402 7.459 1.00 0.00 H new ATOM 0 HA CYS A 110 5.074 6.180 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.083 5.882 8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.514 5.172 9.081 1.00 0.00 H new ATOM 0 HG CYS A 110 6.704 7.867 9.327 1.00 0.00 H new ATOM 1755 N GLY A 111 7.116 7.515 5.789 1.00 0.00 N ATOM 1756 CA GLY A 111 8.120 8.535 5.548 1.00 0.00 C ATOM 1757 C GLY A 111 9.417 8.257 6.283 1.00 0.00 C ATOM 1758 O GLY A 111 10.194 9.174 6.551 1.00 0.00 O ATOM 0 H GLY A 111 6.604 7.215 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.319 8.599 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.730 9.504 5.859 1.00 0.00 H new HETATM 1762 N NH2 A 112 9.658 6.994 6.617 1.00 0.00 N TER 1765 NH2 A 112